Mercurial > repos > bgruening > autodock_vina

annotate test-data/protein_rigid.pdbqt @ 9:90ea16534012 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
author bgruening
date Tue, 21 Dec 2021 14:18:33 +0000
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
9
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1 ATOM 1 N MET A 225 19.489 41.513 -4.249 1.00 79.27 0.615 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2 ATOM 2 CA MET A 225 20.312 40.392 -4.798 1.00 78.95 0.400 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
3 ATOM 3 C MET A 225 19.479 39.195 -5.296 1.00 77.61 0.257 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
4 ATOM 4 O MET A 225 18.259 39.153 -5.110 1.00 77.57 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
5 ATOM 5 CB MET A 225 21.339 39.952 -3.749 1.00 79.64 0.061 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
6 ATOM 6 CG MET A 225 20.774 39.716 -2.360 1.00 80.22 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
7 ATOM 7 SD MET A 225 22.046 39.929 -1.082 1.00 82.21 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
8 ATOM 8 CE MET A 225 23.071 38.466 -1.342 1.00 80.61 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
9 ATOM 9 N ASP A 226 20.150 38.233 -5.930 1.00 76.04 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
10 ATOM 10 CA ASP A 226 19.492 37.056 -6.502 1.00 74.10 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
11 ATOM 11 C ASP A 226 19.223 35.910 -5.528 1.00 73.63 0.244 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
12 ATOM 12 O ASP A 226 20.111 35.490 -4.776 1.00 71.73 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
13 ATOM 13 CB ASP A 226 20.303 36.543 -7.684 1.00 74.44 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
14 ATOM 14 H ASP A 226 21.003 38.244 -6.041 1.00 76.04 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
15 ATOM 15 N PRO A 227 17.986 35.376 -5.547 1.00 73.27 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
16 ATOM 16 CA PRO A 227 17.583 34.273 -4.671 1.00 73.15 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
17 ATOM 17 C PRO A 227 18.503 33.087 -4.870 1.00 74.73 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
18 ATOM 18 O PRO A 227 18.546 32.174 -4.049 1.00 74.21 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
19 ATOM 19 CB PRO A 227 16.140 33.999 -5.090 1.00 72.37 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
20 ATOM 20 CG PRO A 227 16.101 34.445 -6.515 1.00 73.04 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
21 ATOM 21 CD PRO A 227 16.911 35.708 -6.501 1.00 73.01 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
22 ATOM 22 N SER A 228 19.240 33.123 -5.977 1.00 76.73 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
23 ATOM 23 CA SER A 228 20.217 32.091 -6.313 1.00 78.88 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
24 ATOM 24 C SER A 228 21.561 32.619 -5.816 1.00 79.37 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
25 ATOM 25 O SER A 228 22.241 33.368 -6.526 1.00 80.10 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
26 ATOM 26 CB SER A 228 20.296 31.881 -7.832 1.00 79.04 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
27 ATOM 27 OG SER A 228 19.032 31.572 -8.391 1.00 79.63 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
28 ATOM 28 H SER A 228 19.186 33.753 -6.560 1.00 76.73 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
29 ATOM 29 HG SER A 228 19.111 31.465 -9.220 1.00 79.63 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
30 ATOM 30 N SER A 229 21.926 32.245 -4.593 1.00 78.77 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
31 ATOM 31 CA SER A 229 23.185 32.678 -3.993 1.00 79.14 0.189 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
32 ATOM 32 C SER A 229 23.161 32.400 -2.501 1.00 78.94 0.263 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
33 ATOM 33 O SER A 229 22.119 32.522 -1.853 1.00 79.27 -0.269 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
34 ATOM 34 CB SER A 229 23.414 34.172 -4.234 1.00 78.50 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
35 ATOM 35 H SER A 229 21.452 31.734 -4.089 1.00 78.77 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
36 ATOM 36 N PRO A 230 24.310 32.018 -1.960 1.00 78.55 -0.239 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
37 ATOM 37 CA PRO A 230 24.408 31.738 -0.537 1.00 77.41 0.214 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
38 ATOM 38 C PRO A 230 24.177 33.042 0.217 1.00 76.20 0.244 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
39 ATOM 39 O PRO A 230 24.598 34.117 -0.228 1.00 76.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
40 ATOM 40 CB PRO A 230 25.790 31.164 -0.200 1.00 77.54 0.026 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
41 ATOM 41 N ASN A 231 23.491 32.939 1.350 1.00 74.65 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
42 ATOM 42 CA ASN A 231 23.201 34.098 2.186 1.00 72.64 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
43 ATOM 43 C ASN A 231 22.336 35.144 1.484 1.00 71.14 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
44 ATOM 44 O ASN A 231 22.503 36.345 1.714 1.00 70.95 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
45 ATOM 45 CB ASN A 231 24.507 34.738 2.660 1.00 73.26 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
46 ATOM 46 H ASN A 231 23.181 32.197 1.655 1.00 74.65 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
47 ATOM 47 N TYR A 232 21.428 34.702 0.613 1.00 67.45 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
48 ATOM 48 CA TYR A 232 20.550 35.654 -0.051 1.00 63.27 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
49 ATOM 49 C TYR A 232 19.883 36.358 1.112 1.00 61.88 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
50 ATOM 50 O TYR A 232 19.568 35.722 2.121 1.00 61.52 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
51 ATOM 51 CB TYR A 232 19.472 34.944 -0.879 1.00 60.32 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
52 ATOM 52 CG TYR A 232 18.275 35.826 -1.208 1.00 55.53 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
53 ATOM 53 CD1 TYR A 232 18.292 36.681 -2.311 1.00 53.18 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
54 ATOM 54 CD2 TYR A 232 17.143 35.833 -0.388 1.00 52.61 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
55 ATOM 55 CE1 TYR A 232 17.211 37.522 -2.589 1.00 51.86 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
56 ATOM 56 CE2 TYR A 232 16.062 36.669 -0.652 1.00 49.87 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
57 ATOM 57 CZ TYR A 232 16.098 37.511 -1.754 1.00 50.72 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
58 ATOM 58 OH TYR A 232 15.020 38.332 -2.028 1.00 47.03 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
59 ATOM 59 H TYR A 232 21.308 33.878 0.399 1.00 67.45 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
60 ATOM 60 HH TYR A 232 14.426 38.219 -1.445 1.00 47.03 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
61 ATOM 61 N ASP A 233 19.685 37.664 0.986 1.00 60.08 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
62 ATOM 62 CA ASP A 233 19.029 38.424 2.040 1.00 58.42 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
63 ATOM 63 C ASP A 233 17.946 39.292 1.416 1.00 55.45 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
64 ATOM 64 O ASP A 233 18.235 40.232 0.686 1.00 54.46 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
65 ATOM 65 CB ASP A 233 20.041 39.300 2.779 1.00 59.78 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
66 ATOM 66 CG ASP A 233 19.420 40.035 3.953 1.00 63.67 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
67 ATOM 67 OD1 ASP A 233 18.351 40.654 3.765 1.00 64.28 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
68 ATOM 68 OD2 ASP A 233 19.996 40.000 5.062 1.00 65.41 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
69 ATOM 69 H ASP A 233 19.922 38.127 0.301 1.00 60.08 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
70 ATOM 70 N LYS A 234 16.694 38.975 1.708 1.00 55.47 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
71 ATOM 71 CA LYS A 234 15.580 39.735 1.147 1.00 55.09 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
72 ATOM 72 C LYS A 234 15.592 41.205 1.571 1.00 53.70 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
73 ATOM 73 O LYS A 234 15.046 42.060 0.874 1.00 53.26 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
74 ATOM 74 CB LYS A 234 14.240 39.090 1.535 1.00 55.50 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
75 ATOM 75 CG LYS A 234 13.952 39.048 3.026 1.00 57.05 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
76 ATOM 76 CD LYS A 234 12.528 38.584 3.297 1.00 57.35 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
77 ATOM 77 CE LYS A 234 12.248 38.516 4.792 1.00 61.14 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
78 ATOM 78 NZ LYS A 234 10.848 38.103 5.093 1.00 62.38 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
79 ATOM 79 H LYS A 234 16.465 38.328 2.226 1.00 55.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
80 ATOM 80 HZ1 LYS A 234 10.729 38.077 5.975 1.00 62.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
81 ATOM 81 HZ2 LYS A 234 10.282 38.689 4.735 1.00 62.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
82 ATOM 82 HZ3 LYS A 234 10.696 37.296 4.749 1.00 62.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
83 ATOM 83 N TRP A 235 16.226 41.489 2.707 1.00 51.95 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
84 ATOM 84 CA TRP A 235 16.305 42.850 3.230 1.00 51.04 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
85 ATOM 85 C TRP A 235 17.323 43.734 2.505 1.00 52.75 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
86 ATOM 86 O TRP A 235 17.204 44.960 2.533 1.00 50.29 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
87 ATOM 87 CB TRP A 235 16.633 42.825 4.727 1.00 48.84 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
88 ATOM 88 CG TRP A 235 15.567 42.179 5.589 1.00 46.31 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
89 ATOM 89 CD1 TRP A 235 15.672 41.009 6.291 1.00 44.54 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
90 ATOM 90 CD2 TRP A 235 14.253 42.685 5.851 1.00 44.76 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
91 ATOM 91 NE1 TRP A 235 14.504 40.758 6.975 1.00 45.13 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
92 ATOM 92 CE2 TRP A 235 13.612 41.773 6.720 1.00 45.23 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
93 ATOM 93 CE3 TRP A 235 13.549 43.824 5.437 1.00 45.60 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
94 ATOM 94 CZ2 TRP A 235 12.303 41.960 7.184 1.00 44.71 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
95 ATOM 95 CZ3 TRP A 235 12.244 44.012 5.896 1.00 45.52 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
96 ATOM 96 CH2 TRP A 235 11.639 43.081 6.763 1.00 42.93 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
97 ATOM 97 H TRP A 235 16.621 40.900 3.194 1.00 51.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
98 ATOM 98 HE1 TRP A 235 14.356 40.077 7.480 1.00 45.13 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
99 ATOM 99 N GLU A 236 18.326 43.124 1.868 1.00 53.96 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
100 ATOM 100 CA GLU A 236 19.335 43.903 1.149 1.00 56.00 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
101 ATOM 101 C GLU A 236 18.667 44.602 -0.023 1.00 58.05 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
102 ATOM 102 O GLU A 236 17.848 44.012 -0.714 1.00 57.85 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
103 ATOM 103 CB GLU A 236 20.461 43.010 0.606 1.00 56.73 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
104 ATOM 104 CG GLU A 236 21.368 42.319 1.635 1.00 54.81 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
105 ATOM 105 CD GLU A 236 22.331 43.264 2.341 1.00 54.15 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
106 ATOM 106 OE1 GLU A 236 22.630 44.343 1.793 1.00 53.19 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
107 ATOM 107 OE2 GLU A 236 22.801 42.916 3.446 1.00 55.32 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
108 ATOM 108 H GLU A 236 18.439 42.272 1.840 1.00 53.96 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
109 ATOM 109 N MET A 237 19.013 45.863 -0.248 1.00 61.52 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
110 ATOM 110 CA MET A 237 18.439 46.608 -1.361 1.00 65.39 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
111 ATOM 111 C MET A 237 19.545 47.438 -1.999 1.00 66.13 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
112 ATOM 112 O MET A 237 20.645 47.512 -1.463 1.00 65.94 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
113 ATOM 113 CB MET A 237 17.285 47.499 -0.874 1.00 67.93 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
114 ATOM 114 CG MET A 237 17.682 48.698 -0.024 1.00 70.63 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
115 ATOM 115 SD MET A 237 16.234 49.514 0.727 1.00 76.19 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
116 ATOM 116 CE MET A 237 15.355 50.137 -0.718 1.00 72.29 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
117 ATOM 117 H MET A 237 19.576 46.304 0.229 1.00 61.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
118 ATOM 118 N GLU A 238 19.260 48.054 -3.140 1.00 68.57 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
119 ATOM 119 CA GLU A 238 20.266 48.850 -3.841 1.00 70.93 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
120 ATOM 120 C GLU A 238 20.231 50.338 -3.498 1.00 71.19 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
121 ATOM 121 O GLU A 238 19.197 50.991 -3.622 1.00 70.90 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
122 ATOM 122 CB GLU A 238 20.114 48.643 -5.357 1.00 73.12 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
123 ATOM 123 CG GLU A 238 21.090 49.433 -6.229 1.00 76.97 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
124 ATOM 124 CD GLU A 238 21.163 48.889 -7.656 1.00 79.71 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
125 ATOM 125 OE1 GLU A 238 20.103 48.571 -8.238 1.00 81.01 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
126 ATOM 126 OE2 GLU A 238 22.280 48.783 -8.205 1.00 80.82 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
127 ATOM 127 H GLU A 238 18.492 48.025 -3.526 1.00 68.57 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
128 ATOM 128 N ARG A 239 21.378 50.862 -3.073 1.00 71.88 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
129 ATOM 129 CA ARG A 239 21.517 52.266 -2.701 1.00 73.20 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
130 ATOM 130 C ARG A 239 20.974 53.229 -3.735 1.00 72.85 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
131 ATOM 131 O ARG A 239 20.324 54.210 -3.392 1.00 73.39 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
132 ATOM 132 CB ARG A 239 22.986 52.593 -2.439 1.00 75.13 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
133 ATOM 133 CG ARG A 239 23.593 51.697 -1.389 1.00 77.71 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
134 ATOM 134 CD ARG A 239 25.048 52.012 -1.085 1.00 78.74 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
135 ATOM 135 NE ARG A 239 25.566 50.999 -0.173 1.00 80.49 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
136 ATOM 136 CZ ARG A 239 26.780 51.000 0.356 1.00 82.27 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
137 ATOM 137 NH1 ARG A 239 27.635 51.975 0.068 1.00 84.82 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
138 ATOM 138 NH2 ARG A 239 27.138 50.022 1.177 1.00 82.35 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
139 ATOM 139 H ARG A 239 22.104 50.408 -2.992 1.00 71.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
140 ATOM 140 HE ARG A 239 25.042 50.350 0.038 1.00 80.49 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
141 ATOM 141 HH11 ARG A 239 27.401 52.609 -0.464 1.00 84.82 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
142 ATOM 142 HH12 ARG A 239 28.423 51.972 0.413 1.00 84.82 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
143 ATOM 143 HH21 ARG A 239 26.583 49.392 1.363 1.00 82.35 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
144 ATOM 144 HH22 ARG A 239 27.925 50.018 1.523 1.00 82.35 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
145 ATOM 145 N THR A 240 21.251 52.951 -5.002 1.00 73.14 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
146 ATOM 146 CA THR A 240 20.794 53.802 -6.093 1.00 74.25 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
147 ATOM 147 C THR A 240 19.277 53.965 -6.110 1.00 73.87 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
148 ATOM 148 O THR A 240 18.748 54.858 -6.773 1.00 73.93 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
149 ATOM 149 CB THR A 240 21.269 53.241 -7.453 1.00 75.24 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
150 ATOM 150 OG1 THR A 240 22.700 53.317 -7.515 1.00 76.69 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
151 ATOM 151 CG2 THR A 240 20.674 54.034 -8.616 1.00 75.85 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
152 ATOM 152 H THR A 240 21.707 52.267 -5.254 1.00 73.14 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
153 ATOM 153 HG1 THR A 240 22.965 53.012 -8.251 1.00 76.69 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
154 ATOM 154 N ASP A 241 18.583 53.105 -5.372 1.00 73.52 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
155 ATOM 155 CA ASP A 241 17.127 53.143 -5.292 1.00 73.54 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
156 ATOM 156 C ASP A 241 16.635 54.226 -4.331 1.00 73.58 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
157 ATOM 157 O ASP A 241 15.441 54.537 -4.291 1.00 73.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
158 ATOM 158 CB ASP A 241 16.596 51.785 -4.830 1.00 74.38 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
159 ATOM 159 CG ASP A 241 16.566 50.755 -5.942 1.00 75.79 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
160 ATOM 160 OD1 ASP A 241 17.541 50.677 -6.732 1.00 74.76 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
161 ATOM 161 OD2 ASP A 241 15.559 50.014 -6.012 1.00 75.67 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
162 ATOM 162 H ASP A 241 18.944 52.482 -4.902 1.00 73.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
163 ATOM 163 N ILE A 242 17.558 54.797 -3.563 1.00 72.87 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
164 ATOM 164 CA ILE A 242 17.215 55.827 -2.593 1.00 72.47 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
165 ATOM 165 C ILE A 242 17.934 57.144 -2.841 1.00 72.34 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
166 ATOM 166 O ILE A 242 19.123 57.166 -3.157 1.00 72.48 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
167 ATOM 167 CB ILE A 242 17.556 55.369 -1.164 1.00 72.67 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
168 ATOM 168 CG1 ILE A 242 16.784 54.093 -0.828 1.00 72.65 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
169 ATOM 169 CG2 ILE A 242 17.227 56.473 -0.170 1.00 72.12 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
170 ATOM 170 CD1 ILE A 242 17.216 53.456 0.463 1.00 72.97 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
171 ATOM 171 H ILE A 242 18.394 54.599 -3.590 1.00 72.87 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
172 ATOM 172 N THR A 243 17.197 58.238 -2.691 1.00 71.93 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
173 ATOM 173 CA THR A 243 17.748 59.575 -2.861 1.00 71.98 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
174 ATOM 174 C THR A 243 18.017 60.128 -1.464 1.00 72.21 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
175 ATOM 175 O THR A 243 17.104 60.223 -0.642 1.00 71.43 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
176 ATOM 176 CB THR A 243 16.749 60.510 -3.583 1.00 72.08 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
177 ATOM 177 OG1 THR A 243 16.389 59.948 -4.851 1.00 72.91 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
178 ATOM 178 CG2 THR A 243 17.366 61.891 -3.798 1.00 71.96 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
179 ATOM 179 H THR A 243 16.362 58.225 -2.487 1.00 71.93 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
180 ATOM 180 HG1 THR A 243 15.846 60.457 -5.239 1.00 72.91 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
181 ATOM 181 N MET A 244 19.269 60.483 -1.194 1.00 72.50 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
182 ATOM 182 CA MET A 244 19.646 61.026 0.107 1.00 73.09 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
183 ATOM 183 C MET A 244 19.450 62.534 0.176 1.00 74.76 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
184 ATOM 184 O MET A 244 19.742 63.252 -0.783 1.00 75.94 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
185 ATOM 185 CB MET A 244 21.105 60.697 0.419 1.00 71.47 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
186 ATOM 186 CG MET A 244 21.373 59.224 0.618 1.00 71.05 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
187 ATOM 187 SD MET A 244 20.496 58.567 2.038 1.00 69.81 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
188 ATOM 188 CE MET A 244 21.704 58.846 3.328 1.00 69.92 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
189 ATOM 189 H MET A 244 19.919 60.417 -1.754 1.00 72.50 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
190 ATOM 190 N LYS A 245 18.946 63.006 1.313 1.00 75.68 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
191 ATOM 191 CA LYS A 245 18.717 64.431 1.535 1.00 77.15 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
192 ATOM 192 C LYS A 245 19.684 64.839 2.639 1.00 78.88 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
193 ATOM 193 O LYS A 245 20.875 64.537 2.567 1.00 79.41 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
194 ATOM 194 CB LYS A 245 17.283 64.664 2.004 1.00 76.99 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
195 ATOM 195 CG LYS A 245 16.209 64.092 1.091 1.00 76.45 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
196 ATOM 196 CD LYS A 245 16.009 64.935 -0.144 1.00 76.41 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
197 ATOM 197 CE LYS A 245 14.727 64.544 -0.841 1.00 76.44 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
198 ATOM 198 NZ LYS A 245 14.423 65.478 -1.952 1.00 78.56 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
199 ATOM 199 H LYS A 245 18.727 62.508 1.979 1.00 75.68 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
200 ATOM 200 HZ1 LYS A 245 13.666 65.231 -2.349 1.00 78.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
201 ATOM 201 HZ2 LYS A 245 14.334 66.303 -1.630 1.00 78.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
202 ATOM 202 HZ3 LYS A 245 15.087 65.461 -2.544 1.00 78.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
203 ATOM 203 N HIS A 246 19.171 65.522 3.659 1.00 80.80 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
204 ATOM 204 CA HIS A 246 19.998 65.931 4.787 1.00 82.31 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
205 ATOM 205 C HIS A 246 19.443 65.312 6.058 1.00 81.64 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
206 ATOM 206 O HIS A 246 18.291 64.879 6.096 1.00 80.82 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
207 ATOM 207 CB HIS A 246 20.050 67.455 4.929 1.00 84.81 0.095 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
208 ATOM 208 CG HIS A 246 20.683 68.154 3.761 1.00 87.69 0.053 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
209 ATOM 209 ND1 HIS A 246 21.734 67.614 3.048 1.00 89.19 -0.247 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
210 ATOM 210 CD2 HIS A 246 20.424 69.357 3.197 1.00 88.14 0.116 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
211 ATOM 211 CE1 HIS A 246 22.093 68.456 2.092 1.00 88.86 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
212 ATOM 212 NE2 HIS A 246 21.314 69.520 2.162 1.00 89.15 -0.359 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
213 ATOM 213 H HIS A 246 18.346 65.758 3.716 1.00 80.80 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
214 ATOM 214 HE2 HIS A 246 21.357 70.205 1.643 1.00 89.15 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
215 ATOM 215 N LYS A 247 20.277 65.279 7.092 1.00 81.77 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
216 ATOM 216 CA LYS A 247 19.920 64.689 8.377 1.00 82.31 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
217 ATOM 217 C LYS A 247 18.532 65.053 8.852 1.00 82.65 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
218 ATOM 218 O LYS A 247 17.923 66.002 8.356 1.00 83.34 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
219 ATOM 219 CB LYS A 247 20.922 65.112 9.450 1.00 82.67 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
220 ATOM 220 CG LYS A 247 22.362 64.782 9.145 1.00 82.51 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
221 ATOM 221 CD LYS A 247 23.264 65.221 10.283 1.00 82.40 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
222 ATOM 222 CE LYS A 247 24.706 64.849 10.007 1.00 82.92 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
223 ATOM 223 NZ LYS A 247 25.587 65.183 11.154 1.00 82.78 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
224 ATOM 224 H LYS A 247 21.074 65.602 7.067 1.00 81.77 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
225 ATOM 225 HZ1 LYS A 247 26.425 64.953 10.962 1.00 82.78 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
226 ATOM 226 HZ2 LYS A 247 25.549 66.058 11.313 1.00 82.78 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
227 ATOM 227 HZ3 LYS A 247 25.316 64.738 11.876 1.00 82.78 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
228 ATOM 228 N LEU A 248 18.040 64.284 9.816 1.00 82.72 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
229 ATOM 229 CA LEU A 248 16.736 64.538 10.408 1.00 82.90 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
230 ATOM 230 C LEU A 248 17.015 65.409 11.631 1.00 83.50 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
231 ATOM 231 O LEU A 248 17.610 64.941 12.601 1.00 82.32 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
232 ATOM 232 CB LEU A 248 16.084 63.225 10.836 1.00 81.85 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
233 ATOM 233 CG LEU A 248 15.788 62.297 9.667 1.00 81.09 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
234 ATOM 234 CD1 LEU A 248 15.132 61.029 10.165 1.00 79.91 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
235 ATOM 235 CD2 LEU A 248 14.884 63.020 8.681 1.00 81.05 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
236 ATOM 236 H LEU A 248 18.451 63.603 10.143 1.00 82.72 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
237 ATOM 237 N GLY A 249 16.570 66.662 11.572 1.00 85.01 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
238 ATOM 238 CA GLY A 249 16.821 67.634 12.626 1.00 85.90 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
239 ATOM 239 C GLY A 249 16.176 67.514 13.986 1.00 86.85 0.235 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
240 ATOM 240 O GLY A 249 16.580 68.185 14.941 1.00 87.71 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
241 ATOM 241 H GLY A 249 16.111 66.972 10.914 1.00 85.01 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
242 ATOM 242 N GLY A 250 15.155 66.677 14.093 1.00 87.25 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
243 ATOM 243 CA GLY A 250 14.465 66.532 15.368 1.00 87.29 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
244 ATOM 244 C GLY A 250 15.317 65.928 16.462 1.00 87.02 0.235 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
245 ATOM 245 O GLY A 250 15.582 64.716 16.484 1.00 88.28 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
246 ATOM 246 H GLY A 250 14.849 66.191 13.453 1.00 87.25 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
247 ATOM 247 N GLY A 251 15.733 66.769 17.395 1.00 86.35 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
248 ATOM 248 CA GLY A 251 16.552 66.278 18.479 1.00 85.64 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
249 ATOM 249 C GLY A 251 17.847 65.788 17.900 1.00 84.67 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
250 ATOM 250 O GLY A 251 18.837 65.646 18.647 1.00 85.94 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
251 ATOM 251 H GLY A 251 15.555 67.610 17.417 1.00 86.35 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
252 ATOM 252 N GLN A 252 17.825 65.621 16.572 1.00 82.58 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
253 ATOM 253 CA GLN A 252 18.916 65.133 15.712 1.00 79.24 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
254 ATOM 254 C GLN A 252 19.563 63.896 16.247 1.00 77.15 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
255 ATOM 255 O GLN A 252 20.179 63.848 17.343 1.00 76.99 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
256 ATOM 256 CB GLN A 252 19.919 66.250 15.439 1.00 79.48 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
257 ATOM 257 CG GLN A 252 19.287 67.403 14.681 1.00 80.23 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
258 ATOM 258 CD GLN A 252 20.247 67.973 13.637 1.00 80.93 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
259 ATOM 259 OE1 GLN A 252 21.419 67.587 13.613 1.00 81.14 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
260 ATOM 260 NE2 GLN A 252 19.768 68.887 12.774 1.00 81.61 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
261 ATOM 261 H GLN A 252 17.119 65.803 16.115 1.00 82.58 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
262 ATOM 262 1HE2 GLN A 252 18.945 69.132 12.820 1.00 81.61 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
263 ATOM 263 2HE2 GLN A 252 20.285 69.226 12.176 1.00 81.61 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
264 ATOM 264 N TYR A 253 19.380 62.901 15.389 1.00 73.40 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
265 ATOM 265 CA TYR A 253 19.797 61.558 15.615 1.00 69.41 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
266 ATOM 266 C TYR A 253 21.170 61.150 15.118 1.00 69.03 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
267 ATOM 267 O TYR A 253 21.462 59.951 15.013 1.00 68.04 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
268 ATOM 268 CB TYR A 253 18.751 60.632 14.998 1.00 66.37 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
269 ATOM 269 CG TYR A 253 17.336 61.026 15.344 1.00 62.65 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
270 ATOM 270 CD1 TYR A 253 16.637 61.974 14.585 1.00 60.65 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
271 ATOM 271 CD2 TYR A 253 16.700 60.470 16.448 1.00 61.63 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
272 ATOM 272 CE1 TYR A 253 15.341 62.350 14.930 1.00 59.34 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
273 ATOM 273 CE2 TYR A 253 15.411 60.842 16.800 1.00 60.07 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
274 ATOM 274 CZ TYR A 253 14.736 61.773 16.043 1.00 59.87 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
275 ATOM 275 OH TYR A 253 13.457 62.111 16.424 1.00 58.52 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
276 ATOM 276 H TYR A 253 18.991 63.010 14.630 1.00 73.40 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
277 ATOM 277 HH TYR A 253 12.970 61.427 16.409 1.00 58.52 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
278 ATOM 278 N GLY A 254 22.021 62.123 14.818 1.00 69.03 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
279 ATOM 279 CA GLY A 254 23.363 61.816 14.342 1.00 68.88 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
280 ATOM 280 C GLY A 254 23.397 61.624 12.840 1.00 68.47 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
281 ATOM 281 O GLY A 254 23.033 62.516 12.078 1.00 69.21 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
282 ATOM 282 H GLY A 254 21.843 62.962 14.882 1.00 69.03 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
283 ATOM 283 N GLU A 255 23.821 60.442 12.415 1.00 67.42 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
284 ATOM 284 CA GLU A 255 23.933 60.144 10.996 1.00 66.50 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
285 ATOM 285 C GLU A 255 22.688 59.538 10.343 1.00 65.46 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
286 ATOM 286 O GLU A 255 22.786 58.576 9.587 1.00 64.92 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
287 ATOM 287 CB GLU A 255 25.135 59.231 10.778 1.00 67.42 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
288 ATOM 288 CG GLU A 255 26.450 59.839 11.246 1.00 68.21 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
289 ATOM 289 CD GLU A 255 27.021 60.854 10.265 1.00 70.75 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
290 ATOM 290 OE1 GLU A 255 26.322 61.832 9.905 1.00 70.82 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
291 ATOM 291 OE2 GLU A 255 28.186 60.673 9.854 1.00 72.63 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
292 ATOM 292 H GLU A 255 24.050 59.796 12.935 1.00 67.42 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
293 ATOM 293 N VAL A 256 21.521 60.104 10.624 1.00 62.72 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
294 ATOM 294 CA VAL A 256 20.287 59.609 10.031 1.00 61.22 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
295 ATOM 295 C VAL A 256 19.743 60.676 9.100 1.00 60.94 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
296 ATOM 296 O VAL A 256 19.564 61.826 9.512 1.00 62.36 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
297 ATOM 297 CB VAL A 256 19.236 59.299 11.105 1.00 58.33 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
298 ATOM 298 CG1 VAL A 256 17.971 58.790 10.455 1.00 56.62 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
299 ATOM 299 CG2 VAL A 256 19.796 58.292 12.086 1.00 56.25 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
300 ATOM 300 H VAL A 256 21.422 60.774 11.154 1.00 62.72 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
301 ATOM 301 N TYR A 257 19.481 60.304 7.849 1.00 59.94 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
302 ATOM 302 CA TYR A 257 18.980 61.266 6.874 1.00 59.44 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
303 ATOM 303 C TYR A 257 17.583 60.943 6.367 1.00 58.77 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
304 ATOM 304 O TYR A 257 17.094 59.824 6.485 1.00 56.54 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
305 ATOM 305 CB TYR A 257 19.917 61.349 5.657 1.00 60.66 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
306 ATOM 306 CG TYR A 257 21.355 61.720 5.956 1.00 62.61 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
307 ATOM 307 CD1 TYR A 257 22.182 60.865 6.688 1.00 63.06 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
308 ATOM 308 CD2 TYR A 257 21.892 62.927 5.506 1.00 63.87 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
309 ATOM 309 CE1 TYR A 257 23.503 61.199 6.965 1.00 63.50 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
310 ATOM 310 CE2 TYR A 257 23.219 63.272 5.778 1.00 64.17 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
311 ATOM 311 CZ TYR A 257 24.015 62.404 6.511 1.00 64.70 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
312 ATOM 312 OH TYR A 257 25.318 62.740 6.800 1.00 65.43 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
313 ATOM 313 H TYR A 257 19.586 59.505 7.547 1.00 59.94 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
314 ATOM 314 HH TYR A 257 25.495 63.490 6.466 1.00 65.43 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
315 ATOM 315 N GLU A 258 16.946 61.961 5.807 1.00 59.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
316 ATOM 316 CA GLU A 258 15.638 61.810 5.209 1.00 59.24 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
317 ATOM 317 C GLU A 258 15.990 61.371 3.802 1.00 58.57 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
318 ATOM 318 O GLU A 258 16.935 61.884 3.207 1.00 58.12 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
319 ATOM 319 CB GLU A 258 14.894 63.150 5.174 1.00 59.75 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
320 ATOM 320 CG GLU A 258 13.724 63.201 4.195 1.00 61.47 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
321 ATOM 321 CD GLU A 258 12.899 64.473 4.343 1.00 64.85 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
322 ATOM 322 OE1 GLU A 258 13.508 65.554 4.520 1.00 64.15 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
323 ATOM 323 OE2 GLU A 258 11.646 64.396 4.271 1.00 64.83 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
324 ATOM 324 H GLU A 258 17.264 62.759 5.765 1.00 59.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
325 ATOM 325 N GLY A 259 15.257 60.406 3.275 1.00 58.18 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
326 ATOM 326 CA GLY A 259 15.541 59.951 1.935 1.00 58.07 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
327 ATOM 327 C GLY A 259 14.254 59.626 1.220 1.00 59.13 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
328 ATOM 328 O GLY A 259 13.178 59.679 1.811 1.00 58.24 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
329 ATOM 329 H GLY A 259 14.604 60.010 3.669 1.00 58.18 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
330 ATOM 330 N VAL A 260 14.361 59.291 -0.060 1.00 61.00 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
331 ATOM 331 CA VAL A 260 13.188 58.938 -0.841 1.00 62.98 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
332 ATOM 332 C VAL A 260 13.431 57.610 -1.540 1.00 64.45 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
333 ATOM 333 O VAL A 260 14.503 57.378 -2.096 1.00 64.52 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
334 ATOM 334 CB VAL A 260 12.866 60.005 -1.916 1.00 62.37 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
335 ATOM 335 CG1 VAL A 260 11.497 59.732 -2.516 1.00 61.84 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
336 ATOM 336 CG2 VAL A 260 12.912 61.389 -1.312 1.00 62.29 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
337 ATOM 337 H VAL A 260 15.103 59.262 -0.493 1.00 61.00 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
338 ATOM 338 N TRP A 261 12.436 56.735 -1.489 1.00 66.38 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
339 ATOM 339 CA TRP A 261 12.526 55.442 -2.144 1.00 69.00 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
340 ATOM 340 C TRP A 261 11.820 55.619 -3.491 1.00 69.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
341 ATOM 341 O TRP A 261 10.634 55.309 -3.632 1.00 69.12 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
342 ATOM 342 CB TRP A 261 11.828 54.378 -1.292 1.00 69.70 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
343 ATOM 343 CG TRP A 261 12.195 52.963 -1.636 1.00 72.26 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
344 ATOM 344 CD1 TRP A 261 13.202 52.547 -2.463 1.00 72.49 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
345 ATOM 345 CD2 TRP A 261 11.588 51.771 -1.113 1.00 73.56 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
346 ATOM 346 NE1 TRP A 261 13.261 51.173 -2.485 1.00 73.00 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
347 ATOM 347 CE2 TRP A 261 12.284 50.670 -1.666 1.00 73.84 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
348 ATOM 348 CE3 TRP A 261 10.527 51.526 -0.228 1.00 73.26 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
349 ATOM 349 CZ2 TRP A 261 11.951 49.342 -1.363 1.00 74.77 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
350 ATOM 350 CZ3 TRP A 261 10.195 50.205 0.075 1.00 74.03 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
351 ATOM 351 CH2 TRP A 261 10.906 49.129 -0.494 1.00 74.68 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
352 ATOM 352 H TRP A 261 11.694 56.874 -1.076 1.00 66.38 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
353 ATOM 353 HE1 TRP A 261 13.821 50.705 -2.940 1.00 73.00 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
354 ATOM 354 N LYS A 262 12.570 56.141 -4.463 1.00 70.59 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
355 ATOM 355 CA LYS A 262 12.076 56.409 -5.816 1.00 71.66 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
356 ATOM 356 C LYS A 262 10.910 55.522 -6.229 1.00 71.27 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
357 ATOM 357 O LYS A 262 9.811 56.011 -6.471 1.00 70.41 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
358 ATOM 358 CB LYS A 262 13.216 56.261 -6.832 1.00 72.41 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
359 ATOM 359 CG LYS A 262 14.375 57.227 -6.623 1.00 72.39 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
360 ATOM 360 CD LYS A 262 15.544 56.858 -7.519 1.00 73.33 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
361 ATOM 361 CE LYS A 262 16.745 57.746 -7.269 1.00 73.99 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
362 ATOM 362 NZ LYS A 262 17.905 57.308 -8.099 1.00 75.72 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
363 ATOM 363 H LYS A 262 13.396 56.353 -4.352 1.00 70.59 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
364 ATOM 364 HZ1 LYS A 262 18.533 57.938 -8.088 1.00 75.72 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
365 ATOM 365 HZ2 LYS A 262 18.238 56.552 -7.769 1.00 75.72 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
366 ATOM 366 HZ3 LYS A 262 17.637 57.172 -8.937 1.00 75.72 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
367 ATOM 367 N LYS A 263 11.162 54.219 -6.295 1.00 72.14 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
368 ATOM 368 CA LYS A 263 10.155 53.234 -6.681 1.00 73.97 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
369 ATOM 369 C LYS A 263 8.746 53.568 -6.211 1.00 74.71 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
370 ATOM 370 O LYS A 263 7.823 53.677 -7.019 1.00 75.35 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
371 ATOM 371 CB LYS A 263 10.519 51.856 -6.128 1.00 75.06 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
372 ATOM 372 CG LYS A 263 11.641 51.141 -6.846 1.00 76.87 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
373 ATOM 373 CD LYS A 263 11.927 49.813 -6.160 1.00 79.19 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
374 ATOM 374 CE LYS A 263 13.021 49.030 -6.870 1.00 80.93 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
375 ATOM 375 NZ LYS A 263 13.311 47.741 -6.178 1.00 81.38 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
376 ATOM 376 H LYS A 263 11.930 53.877 -6.115 1.00 72.14 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
377 ATOM 377 HZ1 LYS A 263 13.953 47.307 -6.615 1.00 81.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
378 ATOM 378 HZ2 LYS A 263 13.578 47.905 -5.345 1.00 81.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
379 ATOM 379 HZ3 LYS A 263 12.575 47.241 -6.160 1.00 81.38 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
380 ATOM 380 N TYR A 264 8.584 53.717 -4.900 1.00 75.12 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
381 ATOM 381 CA TYR A 264 7.279 54.010 -4.323 1.00 75.07 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
382 ATOM 382 C TYR A 264 7.088 55.486 -3.965 1.00 73.31 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
383 ATOM 383 O TYR A 264 6.063 55.862 -3.402 1.00 73.48 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
384 ATOM 384 CB TYR A 264 7.056 53.133 -3.079 1.00 77.45 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
385 ATOM 385 CG TYR A 264 7.153 51.637 -3.341 1.00 79.30 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
386 ATOM 386 CD1 TYR A 264 8.369 51.043 -3.687 1.00 80.17 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
387 ATOM 387 CD2 TYR A 264 6.021 50.823 -3.266 1.00 80.61 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
388 ATOM 388 CE1 TYR A 264 8.455 49.671 -3.958 1.00 81.71 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
389 ATOM 389 CE2 TYR A 264 6.091 49.453 -3.531 1.00 81.49 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
390 ATOM 390 CZ TYR A 264 7.311 48.882 -3.877 1.00 82.40 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
391 ATOM 391 OH TYR A 264 7.384 47.528 -4.141 1.00 82.52 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
392 ATOM 392 H TYR A 264 9.221 53.652 -4.326 1.00 75.12 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
393 ATOM 393 HH TYR A 264 6.623 47.184 -4.053 1.00 82.52 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
394 ATOM 394 N SER A 265 8.067 56.320 -4.304 1.00 71.04 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
395 ATOM 395 CA SER A 265 7.990 57.746 -3.998 1.00 69.32 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
396 ATOM 396 C SER A 265 7.757 57.960 -2.506 1.00 67.31 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
397 ATOM 397 O SER A 265 7.077 58.903 -2.106 1.00 66.77 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
398 ATOM 398 CB SER A 265 6.851 58.412 -4.785 1.00 70.55 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
399 ATOM 399 OG SER A 265 7.099 58.394 -6.183 1.00 72.66 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
400 ATOM 400 H SER A 265 8.785 56.080 -4.712 1.00 71.04 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
401 ATOM 401 HG SER A 265 6.461 58.762 -6.586 1.00 72.66 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
402 ATOM 402 N LEU A 266 8.326 57.074 -1.694 1.00 64.53 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
403 ATOM 403 CA LEU A 266 8.190 57.135 -0.246 1.00 61.17 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
404 ATOM 404 C LEU A 266 9.339 57.842 0.440 1.00 58.42 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
405 ATOM 405 O LEU A 266 10.509 57.627 0.101 1.00 58.24 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
406 ATOM 406 CB LEU A 266 8.111 55.722 0.346 1.00 61.93 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
407 ATOM 407 CG LEU A 266 6.763 55.125 0.749 1.00 63.93 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
408 ATOM 408 CD1 LEU A 266 6.969 53.667 1.142 1.00 64.36 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
409 ATOM 409 CD2 LEU A 266 6.153 55.914 1.905 1.00 62.10 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
410 ATOM 410 H LEU A 266 8.805 56.416 -1.972 1.00 64.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
411 ATOM 411 N THR A 267 9.007 58.688 1.409 1.00 54.37 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
412 ATOM 412 CA THR A 267 10.035 59.354 2.191 1.00 51.10 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
413 ATOM 413 C THR A 267 10.407 58.288 3.220 1.00 47.52 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
414 ATOM 414 O THR A 267 9.532 57.620 3.752 1.00 43.76 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
415 ATOM 415 CB THR A 267 9.487 60.568 2.935 1.00 52.02 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
416 ATOM 416 OG1 THR A 267 8.889 61.463 1.998 1.00 56.53 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
417 ATOM 417 CG2 THR A 267 10.606 61.294 3.669 1.00 49.48 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
418 ATOM 418 H THR A 267 8.199 58.887 1.627 1.00 54.37 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
419 ATOM 419 HG1 THR A 267 8.585 62.132 2.404 1.00 56.53 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
420 ATOM 420 N VAL A 268 11.694 58.122 3.484 1.00 46.44 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
421 ATOM 421 CA VAL A 268 12.146 57.124 4.445 1.00 46.16 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
422 ATOM 422 C VAL A 268 13.240 57.701 5.325 1.00 47.08 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
423 ATOM 423 O VAL A 268 13.760 58.781 5.056 1.00 45.51 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
424 ATOM 424 CB VAL A 268 12.715 55.867 3.736 1.00 46.07 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
425 ATOM 425 CG1 VAL A 268 11.639 55.203 2.887 1.00 43.67 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
426 ATOM 426 CG2 VAL A 268 13.917 56.259 2.874 1.00 44.96 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
427 ATOM 427 H VAL A 268 12.325 58.577 3.117 1.00 46.44 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
428 ATOM 428 N ALA A 269 13.575 56.970 6.380 1.00 48.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
429 ATOM 429 CA ALA A 269 14.627 57.379 7.295 1.00 50.67 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
430 ATOM 430 C ALA A 269 15.778 56.417 7.031 1.00 52.15 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
431 ATOM 431 O ALA A 269 15.570 55.207 6.972 1.00 51.96 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
432 ATOM 432 CB ALA A 269 14.147 57.263 8.747 1.00 49.26 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
433 ATOM 433 H ALA A 269 13.199 56.224 6.584 1.00 48.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
434 ATOM 434 N VAL A 270 16.986 56.949 6.877 1.00 53.57 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
435 ATOM 435 CA VAL A 270 18.142 56.116 6.594 1.00 54.89 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
436 ATOM 436 C VAL A 270 19.305 56.380 7.534 1.00 56.85 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
437 ATOM 437 O VAL A 270 19.944 57.430 7.460 1.00 56.40 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
438 ATOM 438 CB VAL A 270 18.639 56.352 5.159 1.00 56.77 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
439 ATOM 439 CG1 VAL A 270 19.791 55.398 4.837 1.00 58.30 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
440 ATOM 440 CG2 VAL A 270 17.498 56.176 4.183 1.00 57.88 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
441 ATOM 441 H VAL A 270 17.155 57.790 6.933 1.00 53.57 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
442 ATOM 442 N LYS A 271 19.580 55.431 8.420 1.00 59.38 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
443 ATOM 443 CA LYS A 271 20.695 55.568 9.342 1.00 62.10 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
444 ATOM 444 C LYS A 271 21.911 55.083 8.577 1.00 65.08 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
445 ATOM 445 O LYS A 271 21.881 54.013 7.968 1.00 65.22 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
446 ATOM 446 CB LYS A 271 20.498 54.700 10.581 1.00 62.16 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
447 ATOM 447 CG LYS A 271 21.608 54.846 11.622 1.00 62.86 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
448 ATOM 448 CD LYS A 271 21.385 53.941 12.824 1.00 63.00 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
449 ATOM 449 CE LYS A 271 22.350 54.281 13.960 1.00 64.51 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
450 ATOM 450 NZ LYS A 271 22.218 53.375 15.147 1.00 62.56 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
451 ATOM 451 H LYS A 271 19.133 54.701 8.503 1.00 59.38 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
452 ATOM 452 HZ1 LYS A 271 22.954 53.428 15.644 1.00 62.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
453 ATOM 453 HZ2 LYS A 271 21.514 53.622 15.633 1.00 62.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
454 ATOM 454 HZ3 LYS A 271 22.107 52.537 14.870 1.00 62.56 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
455 ATOM 455 N THR A 272 22.978 55.871 8.600 1.00 68.00 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
456 ATOM 456 CA THR A 272 24.195 55.506 7.894 1.00 71.54 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
457 ATOM 457 C THR A 272 25.377 55.297 8.832 1.00 73.74 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
458 ATOM 458 O THR A 272 25.313 55.584 10.028 1.00 71.86 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
459 ATOM 459 CB THR A 272 24.578 56.587 6.868 1.00 72.61 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
460 ATOM 460 OG1 THR A 272 23.437 56.898 6.062 1.00 75.00 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
461 ATOM 461 CG2 THR A 272 25.692 56.095 5.957 1.00 74.51 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
462 ATOM 462 H THR A 272 23.017 56.621 9.019 1.00 68.00 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
463 ATOM 463 HG1 THR A 272 23.642 57.489 5.501 1.00 75.00 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
464 ATOM 464 N LEU A 273 26.457 54.790 8.254 1.00 78.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
465 ATOM 465 CA LEU A 273 27.702 54.514 8.956 1.00 82.48 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
466 ATOM 466 C LEU A 273 28.738 54.236 7.876 1.00 85.51 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
467 ATOM 467 O LEU A 273 28.553 53.325 7.069 1.00 86.63 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
468 ATOM 468 CB LEU A 273 27.538 53.282 9.839 1.00 82.24 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
469 ATOM 469 CG LEU A 273 28.828 52.681 10.392 1.00 82.28 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
470 ATOM 470 CD1 LEU A 273 28.710 52.619 11.893 1.00 83.20 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
471 ATOM 471 CD2 LEU A 273 29.074 51.293 9.810 1.00 82.27 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
472 ATOM 472 H LEU A 273 26.487 54.591 7.418 1.00 78.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
473 ATOM 473 N LYS A 274 29.821 55.008 7.846 1.00 88.77 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
474 ATOM 474 CA LYS A 274 30.843 54.804 6.818 1.00 91.83 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
475 ATOM 475 C LYS A 274 32.290 54.864 7.326 1.00 93.94 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
476 ATOM 476 O LYS A 274 33.155 54.117 6.850 1.00 94.37 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
477 ATOM 477 CB LYS A 274 30.637 55.818 5.679 1.00 91.53 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
478 ATOM 478 H LYS A 274 29.983 55.645 8.400 1.00 88.77 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
479 ATOM 479 N GLU A 275 32.552 55.745 8.291 1.00 95.90 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
480 ATOM 480 CA GLU A 275 33.898 55.896 8.837 1.00 97.52 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
481 ATOM 481 C GLU A 275 33.968 55.503 10.315 1.00 98.81 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
482 ATOM 482 O GLU A 275 35.057 55.307 10.860 1.00 99.49 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
483 ATOM 483 CB GLU A 275 34.376 57.337 8.639 1.00 97.11 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
484 ATOM 484 H GLU A 275 31.963 56.264 8.643 1.00 95.90 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
485 ATOM 485 N ASP A 276 32.809 55.385 10.961 1.00 99.47 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
486 ATOM 486 CA ASP A 276 32.760 54.991 12.368 1.00 99.86 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
487 ATOM 487 C ASP A 276 32.989 53.485 12.448 1.00 99.95 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
488 ATOM 488 O ASP A 276 32.105 52.733 12.861 1.00100.43 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
489 ATOM 489 CB ASP A 276 31.404 55.352 12.977 1.00 99.35 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
490 ATOM 490 H ASP A 276 32.040 55.529 10.603 1.00 99.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
491 ATOM 491 N THR A 277 34.180 53.056 12.041 1.00 99.71 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
492 ATOM 492 CA THR A 277 34.569 51.645 12.039 1.00 99.90 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
493 ATOM 493 C THR A 277 34.257 50.854 13.322 1.00100.13 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
494 ATOM 494 O THR A 277 33.990 49.648 13.265 1.00100.21 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
495 ATOM 495 CB THR A 277 36.052 51.537 11.721 1.00 99.29 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
496 ATOM 496 H THR A 277 34.796 53.583 11.753 1.00 99.71 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
497 ATOM 497 N MET A 278 34.302 51.520 14.474 1.00 99.85 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
498 ATOM 498 CA MET A 278 34.030 50.854 15.748 1.00 99.22 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
499 ATOM 499 C MET A 278 32.639 50.221 15.796 1.00 98.27 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
500 ATOM 500 O MET A 278 32.435 49.201 16.457 1.00 98.74 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
501 ATOM 501 CB MET A 278 34.186 51.845 16.897 1.00 99.64 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
502 ATOM 502 H MET A 278 34.488 52.357 14.540 1.00 99.85 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
503 ATOM 503 N GLU A 279 31.691 50.818 15.084 1.00 96.47 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
504 ATOM 504 CA GLU A 279 30.326 50.319 15.084 1.00 94.72 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
505 ATOM 505 C GLU A 279 30.070 49.072 14.240 1.00 93.41 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
506 ATOM 506 O GLU A 279 29.436 48.140 14.723 1.00 93.39 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
507 ATOM 507 CB GLU A 279 29.384 51.426 14.667 1.00 94.73 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
508 ATOM 508 H GLU A 279 31.819 51.513 14.595 1.00 96.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
509 ATOM 509 N VAL A 280 30.552 49.054 12.997 1.00 91.37 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
510 ATOM 510 CA VAL A 280 30.348 47.921 12.085 1.00 88.84 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
511 ATOM 511 C VAL A 280 29.748 46.662 12.713 1.00 86.97 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
512 ATOM 512 O VAL A 280 28.670 46.226 12.321 1.00 86.66 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
513 ATOM 513 CB VAL A 280 31.658 47.526 11.375 1.00 89.22 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
514 ATOM 514 CG1 VAL A 280 31.446 46.246 10.568 1.00 88.91 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
515 ATOM 515 CG2 VAL A 280 32.105 48.654 10.456 1.00 89.13 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
516 ATOM 516 H VAL A 280 31.008 49.699 12.656 1.00 91.37 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
517 ATOM 517 N GLU A 281 30.445 46.077 13.681 1.00 84.76 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
518 ATOM 518 CA GLU A 281 29.955 44.876 14.342 1.00 83.11 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
519 ATOM 519 C GLU A 281 28.612 45.194 14.998 1.00 81.36 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
520 ATOM 520 O GLU A 281 27.635 44.460 14.838 1.00 80.56 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
521 ATOM 521 CB GLU A 281 30.965 44.422 15.405 1.00 84.28 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
522 ATOM 522 CG GLU A 281 30.855 42.960 15.844 1.00 86.64 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
523 ATOM 523 CD GLU A 281 29.533 42.627 16.515 1.00 88.23 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
524 ATOM 524 OE1 GLU A 281 29.105 43.406 17.394 1.00 90.49 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
525 ATOM 525 OE2 GLU A 281 28.930 41.584 16.170 1.00 87.17 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
526 ATOM 526 H GLU A 281 31.204 46.361 13.969 1.00 84.76 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
527 ATOM 527 N GLU A 282 28.577 46.306 15.727 1.00 79.49 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
528 ATOM 528 CA GLU A 282 27.374 46.749 16.424 1.00 77.65 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
529 ATOM 529 C GLU A 282 26.294 47.284 15.485 1.00 74.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
530 ATOM 530 O GLU A 282 25.105 47.096 15.733 1.00 73.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
531 ATOM 531 CB GLU A 282 27.727 47.822 17.455 1.00 79.86 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
532 ATOM 532 CG GLU A 282 26.734 47.895 18.605 1.00 84.77 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
533 ATOM 533 CD GLU A 282 26.657 46.590 19.389 1.00 87.19 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
534 ATOM 534 OE1 GLU A 282 26.358 45.540 18.777 1.00 89.24 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
535 ATOM 535 OE2 GLU A 282 26.897 46.611 20.617 1.00 88.68 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
536 ATOM 536 H GLU A 282 29.253 46.827 15.831 1.00 79.49 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
537 ATOM 537 N PHE A 283 26.711 47.954 14.414 1.00 70.83 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
538 ATOM 538 CA PHE A 283 25.772 48.496 13.448 1.00 67.86 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
539 ATOM 539 C PHE A 283 25.078 47.335 12.747 1.00 67.06 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
540 ATOM 540 O PHE A 283 23.920 47.441 12.329 1.00 67.13 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
541 ATOM 541 CB PHE A 283 26.510 49.349 12.416 1.00 67.63 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
542 ATOM 542 CG PHE A 283 25.608 50.001 11.404 1.00 66.52 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
543 ATOM 543 CD1 PHE A 283 24.905 51.154 11.723 1.00 67.08 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
544 ATOM 544 CD2 PHE A 283 25.467 49.461 10.130 1.00 66.38 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
545 ATOM 545 CE1 PHE A 283 24.070 51.763 10.783 1.00 68.14 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
546 ATOM 546 CE2 PHE A 283 24.635 50.059 9.183 1.00 67.22 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
547 ATOM 547 CZ PHE A 283 23.936 51.215 9.507 1.00 66.73 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
548 ATOM 548 H PHE A 283 27.538 48.104 14.231 1.00 70.83 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
549 ATOM 549 N LEU A 284 25.801 46.224 12.628 1.00 64.87 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
550 ATOM 550 CA LEU A 284 25.289 45.026 11.972 1.00 62.96 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
551 ATOM 551 C LEU A 284 24.442 44.156 12.896 1.00 61.21 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
552 ATOM 552 O LEU A 284 23.539 43.461 12.436 1.00 61.25 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
553 ATOM 553 CB LEU A 284 26.447 44.197 11.405 1.00 64.06 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
554 ATOM 554 CG LEU A 284 26.547 44.102 9.880 1.00 64.43 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
555 ATOM 555 CD1 LEU A 284 26.613 45.484 9.267 1.00 65.05 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
556 ATOM 556 CD2 LEU A 284 27.777 43.304 9.512 1.00 66.26 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
557 ATOM 557 H LEU A 284 26.604 46.145 12.926 1.00 64.87 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
558 ATOM 558 N LYS A 285 24.736 44.186 14.191 1.00 58.53 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
559 ATOM 559 CA LYS A 285 23.966 43.397 15.146 1.00 57.98 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
560 ATOM 560 C LYS A 285 22.591 44.049 15.315 1.00 57.30 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
561 ATOM 561 O LYS A 285 21.613 43.393 15.700 1.00 56.30 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
562 ATOM 562 CB LYS A 285 24.697 43.329 16.487 1.00 57.31 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
563 ATOM 563 H LYS A 285 25.371 44.652 14.535 1.00 58.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
564 ATOM 564 N GLU A 286 22.539 45.348 15.014 1.00 56.28 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
565 ATOM 565 CA GLU A 286 21.317 46.135 15.110 1.00 55.16 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
566 ATOM 566 C GLU A 286 20.398 45.703 13.978 1.00 53.83 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
567 ATOM 567 O GLU A 286 19.231 45.370 14.199 1.00 52.91 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
568 ATOM 568 CB GLU A 286 21.631 47.624 14.970 1.00 55.63 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
569 ATOM 569 CG GLU A 286 20.505 48.531 15.451 1.00 58.77 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
570 ATOM 570 CD GLU A 286 20.688 49.994 15.065 1.00 59.04 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
571 ATOM 571 OE1 GLU A 286 21.812 50.533 15.171 1.00 58.96 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
572 ATOM 572 OE2 GLU A 286 19.686 50.618 14.670 1.00 60.00 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
573 ATOM 573 H GLU A 286 23.221 45.798 14.746 1.00 56.28 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
574 ATOM 574 N ALA A 287 20.947 45.711 12.767 1.00 52.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
575 ATOM 575 CA ALA A 287 20.217 45.309 11.576 1.00 51.83 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
576 ATOM 576 C ALA A 287 19.607 43.921 11.775 1.00 51.57 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
577 ATOM 577 O ALA A 287 18.441 43.691 11.475 1.00 51.39 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
578 ATOM 578 CB ALA A 287 21.158 45.299 10.384 1.00 51.73 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
579 ATOM 579 H ALA A 287 21.759 45.952 12.615 1.00 52.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
580 ATOM 580 N ALA A 288 20.399 43.001 12.301 1.00 51.41 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
581 ATOM 581 CA ALA A 288 19.928 41.648 12.528 1.00 51.99 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
582 ATOM 582 C ALA A 288 18.749 41.602 13.497 1.00 51.75 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
583 ATOM 583 O ALA A 288 17.811 40.832 13.301 1.00 52.98 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
584 ATOM 584 CB ALA A 288 21.073 40.776 13.047 1.00 51.08 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
585 ATOM 585 H ALA A 288 21.215 43.141 12.534 1.00 51.41 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
586 ATOM 586 N VAL A 289 18.796 42.417 14.545 1.00 52.47 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
587 ATOM 587 CA VAL A 289 17.710 42.439 15.527 1.00 52.70 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
588 ATOM 588 C VAL A 289 16.405 42.923 14.912 1.00 51.55 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
589 ATOM 589 O VAL A 289 15.339 42.360 15.167 1.00 51.82 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
590 ATOM 590 CB VAL A 289 18.038 43.362 16.718 1.00 54.91 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
591 ATOM 591 CG1 VAL A 289 16.817 43.474 17.647 1.00 55.02 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
592 ATOM 592 CG2 VAL A 289 19.245 42.814 17.483 1.00 55.14 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
593 ATOM 593 H VAL A 289 19.441 42.962 14.708 1.00 52.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
594 ATOM 594 N MET A 290 16.505 43.971 14.100 1.00 50.10 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
595 ATOM 595 CA MET A 290 15.348 44.559 13.447 1.00 50.04 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
596 ATOM 596 C MET A 290 14.684 43.637 12.425 1.00 49.91 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
597 ATOM 597 O MET A 290 13.524 43.831 12.069 1.00 49.44 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
598 ATOM 598 CB MET A 290 15.753 45.885 12.801 1.00 49.40 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
599 ATOM 599 CG MET A 290 16.124 46.960 13.835 1.00 51.15 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
600 ATOM 600 SD MET A 290 16.662 48.518 13.103 1.00 50.95 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
601 ATOM 601 CE MET A 290 18.220 48.082 12.504 1.00 55.74 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
602 ATOM 602 H MET A 290 17.249 44.360 13.914 1.00 50.10 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
603 ATOM 603 N LYS A 291 15.419 42.634 11.961 1.00 49.33 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
604 ATOM 604 CA LYS A 291 14.871 41.686 11.003 1.00 49.48 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
605 ATOM 605 C LYS A 291 14.019 40.671 11.733 1.00 49.68 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
606 ATOM 606 O LYS A 291 13.132 40.062 11.141 1.00 50.41 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
607 ATOM 607 CB LYS A 291 15.999 40.966 10.262 1.00 48.09 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
608 ATOM 608 CG LYS A 291 16.766 41.879 9.332 1.00 47.20 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
609 ATOM 609 CD LYS A 291 18.026 41.232 8.772 1.00 45.40 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
610 ATOM 610 CE LYS A 291 18.773 42.257 7.917 1.00 45.37 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
611 ATOM 611 NZ LYS A 291 19.993 41.734 7.267 1.00 43.59 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
612 ATOM 612 H LYS A 291 16.235 42.485 12.188 1.00 49.33 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
613 ATOM 613 HZ1 LYS A 291 20.481 42.413 6.961 1.00 43.59 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
614 ATOM 614 HZ2 LYS A 291 20.469 41.270 7.859 1.00 43.59 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
615 ATOM 615 HZ3 LYS A 291 19.765 41.204 6.590 1.00 43.59 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
616 ATOM 616 N GLU A 292 14.289 40.517 13.028 1.00 50.48 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
617 ATOM 617 CA GLU A 292 13.592 39.553 13.873 1.00 52.39 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
618 ATOM 618 C GLU A 292 12.330 40.075 14.538 1.00 53.08 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
619 ATOM 619 O GLU A 292 11.654 39.325 15.245 1.00 53.34 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
620 ATOM 620 CB GLU A 292 14.528 39.047 14.978 1.00 53.95 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
621 ATOM 621 CG GLU A 292 15.871 38.509 14.501 1.00 58.38 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
622 ATOM 622 CD GLU A 292 15.731 37.318 13.567 1.00 61.43 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
623 ATOM 623 OE1 GLU A 292 15.011 36.358 13.934 1.00 62.12 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
624 ATOM 624 OE2 GLU A 292 16.344 37.346 12.473 1.00 62.52 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
625 ATOM 625 H GLU A 292 14.888 40.974 13.443 1.00 50.48 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
626 ATOM 626 N ILE A 293 12.011 41.348 14.337 1.00 52.71 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
627 ATOM 627 CA ILE A 293 10.826 41.901 14.972 1.00 51.30 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
628 ATOM 628 C ILE A 293 9.874 42.596 14.026 1.00 50.67 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
629 ATOM 629 O ILE A 293 10.288 43.358 13.149 1.00 52.29 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
630 ATOM 630 CB ILE A 293 11.199 42.899 16.109 1.00 52.91 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
631 ATOM 631 CG1 ILE A 293 12.171 43.958 15.587 1.00 51.99 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
632 ATOM 632 CG2 ILE A 293 11.796 42.151 17.287 1.00 50.51 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
633 ATOM 633 CD1 ILE A 293 12.547 44.999 16.615 1.00 52.93 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
634 ATOM 634 H ILE A 293 12.457 41.897 13.848 1.00 52.71 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
635 ATOM 635 N LYS A 294 8.588 42.321 14.209 1.00 47.80 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
636 ATOM 636 CA LYS A 294 7.562 42.933 13.393 1.00 47.10 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
637 ATOM 637 C LYS A 294 6.323 43.141 14.252 1.00 45.09 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
638 ATOM 638 O LYS A 294 5.854 42.213 14.901 1.00 46.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
639 ATOM 639 CB LYS A 294 7.241 42.040 12.182 1.00 47.78 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
640 ATOM 640 H LYS A 294 8.292 41.778 14.806 1.00 47.80 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
641 ATOM 641 N HIS A 295 5.805 44.364 14.258 1.00 43.66 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
642 ATOM 642 CA HIS A 295 4.615 44.708 15.039 1.00 41.90 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
643 ATOM 643 C HIS A 295 4.136 46.069 14.554 1.00 42.48 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
644 ATOM 644 O HIS A 295 4.931 46.907 14.151 1.00 41.83 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
645 ATOM 645 CB HIS A 295 4.961 44.777 16.530 1.00 40.40 0.095 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
646 ATOM 646 CG HIS A 295 3.788 45.059 17.423 1.00 40.45 0.053 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
647 ATOM 647 ND1 HIS A 295 3.198 46.223 17.780 1.00 40.26 -0.247 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
648 ATOM 648 CD2 HIS A 295 3.103 44.065 18.090 1.00 38.33 0.116 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
649 ATOM 649 CE1 HIS A 295 2.179 45.914 18.647 1.00 38.69 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
650 ATOM 650 NE2 HIS A 295 2.142 44.606 18.820 1.00 39.50 -0.359 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
651 ATOM 651 H HIS A 295 6.132 45.021 13.810 1.00 43.66 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
652 ATOM 652 HE2 HIS A 295 1.588 44.179 19.321 1.00 39.50 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
653 ATOM 653 N PRO A 296 2.817 46.298 14.560 1.00 43.44 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
654 ATOM 654 CA PRO A 296 2.306 47.587 14.105 1.00 42.20 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
655 ATOM 655 C PRO A 296 2.751 48.787 14.943 1.00 41.62 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
656 ATOM 656 O PRO A 296 2.652 49.934 14.486 1.00 39.92 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
657 ATOM 657 CB PRO A 296 0.787 47.381 14.107 1.00 42.80 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
658 ATOM 658 CG PRO A 296 0.580 46.319 15.134 1.00 45.27 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
659 ATOM 659 CD PRO A 296 1.704 45.369 14.837 1.00 43.89 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
660 ATOM 660 N ASN A 297 3.236 48.534 16.156 1.00 39.67 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
661 ATOM 661 CA ASN A 297 3.699 49.629 17.001 1.00 39.31 0.184 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
662 ATOM 662 C ASN A 297 5.216 49.665 17.225 1.00 37.98 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
663 ATOM 663 O ASN A 297 5.702 50.233 18.211 1.00 37.10 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
664 ATOM 664 CB ASN A 297 2.931 49.624 18.322 1.00 39.99 0.121 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
665 ATOM 665 CG ASN A 297 1.445 49.867 18.113 1.00 41.69 0.151 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
666 ATOM 666 OD1 ASN A 297 0.609 48.910 18.515 1.00 41.92 -0.178 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
667 ATOM 667 ND2 ASN A 297 1.057 50.903 17.585 1.00 39.88 -0.381 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
668 ATOM 668 H ASN A 297 3.305 47.750 16.503 1.00 39.67 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
669 ATOM 669 1HD2 ASN A 297 1.626 51.499 17.338 1.00 39.88 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
670 ATOM 670 2HD2 ASN A 297 0.216 51.034 17.461 1.00 39.88 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
671 ATOM 671 N LEU A 298 5.948 49.050 16.298 1.00 36.70 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
672 ATOM 672 CA LEU A 298 7.414 49.052 16.316 1.00 36.10 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
673 ATOM 673 C LEU A 298 7.831 49.626 14.969 1.00 36.33 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
674 ATOM 674 O LEU A 298 7.298 49.218 13.941 1.00 36.81 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
675 ATOM 675 CB LEU A 298 7.968 47.637 16.497 1.00 36.17 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
676 ATOM 676 CG LEU A 298 7.855 47.003 17.891 1.00 34.58 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
677 ATOM 677 CD1 LEU A 298 8.517 45.647 17.876 1.00 39.15 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
678 ATOM 678 CD2 LEU A 298 8.561 47.867 18.923 1.00 37.88 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
679 ATOM 679 H LEU A 298 5.608 48.617 15.637 1.00 36.70 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
680 ATOM 680 N VAL A 299 8.752 50.592 14.965 1.00 37.31 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
681 ATOM 681 CA VAL A 299 9.170 51.219 13.718 1.00 36.63 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
682 ATOM 682 C VAL A 299 9.499 50.126 12.713 1.00 39.43 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
683 ATOM 683 O VAL A 299 10.309 49.243 12.978 1.00 39.46 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
684 ATOM 684 CB VAL A 299 10.381 52.163 13.930 1.00 37.24 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
685 ATOM 685 CG1 VAL A 299 11.635 51.365 14.234 1.00 34.47 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
686 ATOM 686 CG2 VAL A 299 10.573 53.064 12.703 1.00 34.19 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
687 ATOM 687 H VAL A 299 9.142 50.894 15.669 1.00 37.31 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
688 ATOM 688 N GLN A 300 8.832 50.187 11.564 1.00 43.21 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
689 ATOM 689 CA GLN A 300 8.983 49.195 10.504 1.00 43.64 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
690 ATOM 690 C GLN A 300 10.237 49.295 9.652 1.00 42.10 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
691 ATOM 691 O GLN A 300 10.465 50.296 8.974 1.00 42.17 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
692 ATOM 692 CB GLN A 300 7.744 49.234 9.594 1.00 46.33 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
693 ATOM 693 CG GLN A 300 7.815 48.324 8.348 1.00 52.59 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
694 ATOM 694 CD GLN A 300 6.586 48.460 7.448 1.00 57.17 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
695 ATOM 695 OE1 GLN A 300 6.144 49.575 7.131 1.00 57.56 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
696 ATOM 696 NE2 GLN A 300 6.033 47.323 7.028 1.00 57.72 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
697 ATOM 697 H GLN A 300 8.273 50.813 11.376 1.00 43.21 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
698 ATOM 698 1HE2 GLN A 300 6.367 46.568 7.268 1.00 57.72 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
699 ATOM 699 2HE2 GLN A 300 5.342 47.344 6.516 1.00 57.72 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
700 ATOM 700 N LEU A 301 11.039 48.235 9.692 1.00 41.59 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
701 ATOM 701 CA LEU A 301 12.256 48.137 8.892 1.00 41.46 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
702 ATOM 702 C LEU A 301 11.829 47.953 7.432 1.00 42.91 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
703 ATOM 703 O LEU A 301 10.920 47.168 7.150 1.00 42.98 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
704 ATOM 704 CB LEU A 301 13.065 46.916 9.319 1.00 40.66 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
705 ATOM 705 CG LEU A 301 14.291 46.592 8.462 1.00 40.96 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
706 ATOM 706 CD1 LEU A 301 15.440 47.542 8.809 1.00 37.90 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
707 ATOM 707 CD2 LEU A 301 14.711 45.167 8.714 1.00 41.23 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
708 ATOM 708 H LEU A 301 10.891 47.548 10.187 1.00 41.59 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
709 ATOM 709 N LEU A 302 12.474 48.670 6.513 1.00 43.44 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
710 ATOM 710 CA LEU A 302 12.145 48.560 5.100 1.00 44.73 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
711 ATOM 711 C LEU A 302 13.242 47.835 4.321 1.00 46.78 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
712 ATOM 712 O LEU A 302 12.950 47.066 3.406 1.00 48.59 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
713 ATOM 713 CB LEU A 302 11.908 49.944 4.495 1.00 46.05 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
714 ATOM 714 CG LEU A 302 10.705 50.740 5.014 1.00 48.46 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
715 ATOM 715 CD1 LEU A 302 10.650 52.084 4.304 1.00 47.22 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
716 ATOM 716 CD2 LEU A 302 9.412 49.955 4.784 1.00 47.61 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
717 ATOM 717 H LEU A 302 13.106 49.226 6.691 1.00 43.44 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
718 ATOM 718 N GLY A 303 14.500 48.063 4.691 1.00 47.94 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
719 ATOM 719 CA GLY A 303 15.597 47.408 4.002 1.00 48.26 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
720 ATOM 720 C GLY A 303 16.950 47.785 4.568 1.00 50.35 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
721 ATOM 721 O GLY A 303 17.052 48.700 5.380 1.00 50.03 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
722 ATOM 722 H GLY A 303 14.734 48.588 5.331 1.00 47.94 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
723 ATOM 723 N VAL A 304 17.988 47.069 4.151 1.00 50.80 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
724 ATOM 724 CA VAL A 304 19.344 47.342 4.607 1.00 53.93 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
725 ATOM 725 C VAL A 304 20.325 47.425 3.439 1.00 56.63 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
726 ATOM 726 O VAL A 304 19.997 47.094 2.300 1.00 57.53 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
727 ATOM 727 CB VAL A 304 19.863 46.239 5.556 1.00 52.27 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
728 ATOM 728 CG1 VAL A 304 19.020 46.174 6.812 1.00 51.24 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
729 ATOM 729 CG2 VAL A 304 19.852 44.907 4.834 1.00 52.19 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
730 ATOM 730 H VAL A 304 17.926 46.414 3.598 1.00 50.80 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
731 ATOM 731 N CYS A 305 21.532 47.887 3.740 1.00 59.76 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
732 ATOM 732 CA CYS A 305 22.607 47.985 2.763 1.00 61.84 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
733 ATOM 733 C CYS A 305 23.859 47.630 3.532 1.00 64.06 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
734 ATOM 734 O CYS A 305 24.688 48.489 3.823 1.00 65.36 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
735 ATOM 735 CB CYS A 305 22.719 49.399 2.198 1.00 62.20 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
736 ATOM 736 SG CYS A 305 21.428 49.798 1.004 1.00 64.17 -0.180 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
737 ATOM 737 H CYS A 305 21.752 48.156 4.527 1.00 59.76 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
738 ATOM 738 HG CYS A 305 21.289 48.881 0.243 1.00 64.17 0.101 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
739 ATOM 739 N THR A 306 23.962 46.351 3.879 1.00 66.99 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
740 ATOM 740 CA THR A 306 25.085 45.830 4.639 1.00 69.85 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
741 ATOM 741 C THR A 306 26.114 45.073 3.783 1.00 72.15 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
742 ATOM 742 O THR A 306 26.743 44.120 4.259 1.00 72.28 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
743 ATOM 743 CB THR A 306 24.563 44.931 5.754 1.00 69.22 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
744 ATOM 744 H THR A 306 23.374 45.757 3.676 1.00 66.99 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
745 ATOM 745 N ARG A 307 26.294 45.500 2.533 1.00 73.95 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
746 ATOM 746 CA ARG A 307 27.262 44.861 1.635 1.00 76.50 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
747 ATOM 747 C ARG A 307 28.431 45.810 1.349 1.00 78.42 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
748 ATOM 748 O ARG A 307 29.445 45.779 2.046 1.00 79.36 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
749 ATOM 749 CB ARG A 307 26.584 44.449 0.330 1.00 75.99 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
750 ATOM 750 H ARG A 307 25.866 46.159 2.184 1.00 73.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
751 ATOM 751 N GLU A 308 28.284 46.652 0.327 1.00 80.21 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
752 ATOM 752 CA GLU A 308 29.318 47.620 -0.040 1.00 81.72 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
753 ATOM 753 C GLU A 308 29.573 48.582 1.131 1.00 83.75 0.244 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
754 ATOM 754 O GLU A 308 28.927 48.475 2.174 1.00 84.22 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
755 ATOM 755 CB GLU A 308 28.883 48.393 -1.280 1.00 81.28 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
756 ATOM 756 H GLU A 308 27.584 46.678 -0.172 1.00 80.21 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
757 ATOM 757 N PRO A 309 30.517 49.534 0.972 1.00 84.89 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
758 ATOM 758 CA PRO A 309 30.864 50.515 2.015 1.00 84.85 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
759 ATOM 759 C PRO A 309 29.727 51.300 2.700 1.00 84.59 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
760 ATOM 760 O PRO A 309 29.034 50.723 3.530 1.00 86.37 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
761 ATOM 761 CB PRO A 309 31.905 51.389 1.318 1.00 85.14 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
762 ATOM 762 CG PRO A 309 32.629 50.402 0.476 1.00 85.17 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
763 ATOM 763 CD PRO A 309 31.488 49.606 -0.136 1.00 85.61 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
764 ATOM 764 N PRO A 310 29.507 52.603 2.376 1.00 83.25 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
765 ATOM 765 CA PRO A 310 28.416 53.316 3.071 1.00 80.78 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
766 ATOM 766 C PRO A 310 27.192 52.480 3.474 1.00 78.46 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
767 ATOM 767 O PRO A 310 26.223 52.375 2.721 1.00 78.57 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
768 ATOM 768 CB PRO A 310 28.054 54.422 2.080 1.00 81.01 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
769 ATOM 769 CG PRO A 310 29.373 54.777 1.519 1.00 82.44 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
770 ATOM 770 CD PRO A 310 29.991 53.416 1.242 1.00 82.85 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
771 ATOM 771 N PHE A 311 27.241 51.897 4.672 1.00 75.31 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
772 ATOM 772 CA PHE A 311 26.143 51.072 5.181 1.00 72.06 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
773 ATOM 773 C PHE A 311 24.875 51.881 5.456 1.00 68.75 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
774 ATOM 774 O PHE A 311 24.931 53.026 5.905 1.00 68.52 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
775 ATOM 775 CB PHE A 311 26.556 50.365 6.478 1.00 72.58 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
776 ATOM 776 CG PHE A 311 27.584 49.276 6.298 1.00 73.78 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
777 ATOM 777 CD1 PHE A 311 28.168 48.672 7.410 1.00 73.70 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
778 ATOM 778 CD2 PHE A 311 27.969 48.847 5.032 1.00 74.03 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
779 ATOM 779 CE1 PHE A 311 29.118 47.663 7.264 1.00 73.73 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
780 ATOM 780 CE2 PHE A 311 28.923 47.836 4.877 1.00 73.88 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
781 ATOM 781 CZ PHE A 311 29.496 47.246 5.993 1.00 73.20 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
782 ATOM 782 H PHE A 311 27.908 51.968 5.210 1.00 75.31 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
783 ATOM 783 N TYR A 312 23.729 51.266 5.188 1.00 65.31 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
784 ATOM 784 CA TYR A 312 22.431 51.893 5.411 1.00 60.52 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
785 ATOM 785 C TYR A 312 21.518 50.957 6.184 1.00 58.65 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
786 ATOM 786 O TYR A 312 21.767 49.765 6.276 1.00 60.02 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
787 ATOM 787 CB TYR A 312 21.720 52.175 4.093 1.00 58.28 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
788 ATOM 788 CG TYR A 312 22.233 53.311 3.247 1.00 58.01 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
789 ATOM 789 CD1 TYR A 312 21.658 53.559 2.000 1.00 58.17 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
790 ATOM 790 CD2 TYR A 312 23.274 54.134 3.670 1.00 57.28 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
791 ATOM 791 CE1 TYR A 312 22.103 54.590 1.189 1.00 59.38 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
792 ATOM 792 CE2 TYR A 312 23.734 55.180 2.859 1.00 58.49 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
793 ATOM 793 CZ TYR A 312 23.140 55.396 1.620 1.00 58.78 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
794 ATOM 794 OH TYR A 312 23.572 56.403 0.796 1.00 60.20 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
795 ATOM 795 H TYR A 312 23.682 50.468 4.870 1.00 65.31 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
796 ATOM 796 HH TYR A 312 24.200 56.819 1.167 1.00 60.20 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
797 ATOM 797 N ILE A 313 20.459 51.526 6.741 1.00 56.26 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
798 ATOM 798 CA ILE A 313 19.405 50.788 7.428 1.00 53.19 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
799 ATOM 799 C ILE A 313 18.204 51.683 7.188 1.00 51.32 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
800 ATOM 800 O ILE A 313 18.102 52.759 7.773 1.00 49.65 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
801 ATOM 801 CB ILE A 313 19.611 50.631 8.945 1.00 51.98 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
802 ATOM 802 CG1 ILE A 313 20.682 49.590 9.227 1.00 50.14 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
803 ATOM 803 CG2 ILE A 313 18.310 50.161 9.590 1.00 51.16 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
804 ATOM 804 CD1 ILE A 313 20.824 49.278 10.687 1.00 49.31 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
805 ATOM 805 H ILE A 313 20.328 52.376 6.731 1.00 56.26 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
806 ATOM 806 N ILE A 314 17.322 51.249 6.297 1.00 49.29 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
807 ATOM 807 CA ILE A 314 16.155 52.030 5.960 1.00 48.49 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
808 ATOM 808 C ILE A 314 14.938 51.628 6.768 1.00 47.48 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
809 ATOM 809 O ILE A 314 14.600 50.453 6.906 1.00 45.13 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
810 ATOM 810 CB ILE A 314 15.805 51.934 4.442 1.00 51.04 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
811 ATOM 811 CG1 ILE A 314 17.028 52.281 3.576 1.00 51.03 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
812 ATOM 812 CG2 ILE A 314 14.693 52.925 4.104 1.00 50.11 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
813 ATOM 813 CD1 ILE A 314 18.103 51.227 3.560 1.00 49.15 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
814 ATOM 814 H ILE A 314 17.386 50.501 5.878 1.00 49.29 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
815 ATOM 815 N THR A 315 14.274 52.647 7.285 1.00 46.74 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
816 ATOM 816 C THR A 315 12.000 53.422 7.512 1.00 45.30 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
817 ATOM 817 O THR A 315 12.301 54.307 6.706 1.00 44.93 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
818 ATOM 818 H THR A 315 14.513 53.465 7.172 1.00 46.74 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
819 ATOM 819 N GLU A 316 10.744 53.192 7.886 1.00 45.11 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
820 ATOM 820 CA GLU A 316 9.663 54.062 7.440 1.00 45.20 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
821 ATOM 821 C GLU A 316 9.911 55.413 8.120 1.00 45.88 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
822 ATOM 822 O GLU A 316 10.618 55.497 9.121 1.00 43.22 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
823 ATOM 823 CB GLU A 316 8.312 53.522 7.894 1.00 45.16 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
824 ATOM 824 CG GLU A 316 8.255 53.247 9.393 1.00 48.40 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
825 ATOM 825 CD GLU A 316 6.877 52.841 9.870 1.00 48.81 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
826 ATOM 826 OE1 GLU A 316 6.795 52.006 10.791 1.00 50.78 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
827 ATOM 827 OE2 GLU A 316 5.878 53.356 9.333 1.00 50.90 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
828 ATOM 828 H GLU A 316 10.499 52.542 8.394 1.00 45.11 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
829 ATOM 829 N PHE A 317 9.341 56.472 7.571 1.00 46.82 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
830 ATOM 830 CA PHE A 317 9.492 57.806 8.131 1.00 47.70 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
831 ATOM 831 C PHE A 317 8.172 58.118 8.829 1.00 48.32 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
832 ATOM 832 O PHE A 317 7.110 57.895 8.263 1.00 49.68 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
833 ATOM 833 CB PHE A 317 9.748 58.811 7.007 1.00 47.26 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
834 ATOM 834 CG PHE A 317 9.903 60.214 7.482 1.00 49.15 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
835 ATOM 835 CD1 PHE A 317 11.116 60.655 8.005 1.00 48.95 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
836 ATOM 836 CD2 PHE A 317 8.824 61.094 7.453 1.00 48.44 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
837 ATOM 837 CE1 PHE A 317 11.251 61.951 8.493 1.00 48.48 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
838 ATOM 838 CE2 PHE A 317 8.948 62.390 7.939 1.00 46.76 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
839 ATOM 839 CZ PHE A 317 10.166 62.819 8.462 1.00 48.42 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
840 ATOM 840 H PHE A 317 8.855 56.440 6.862 1.00 46.82 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
841 ATOM 841 N MET A 318 8.234 58.603 10.064 1.00 49.82 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
842 ATOM 842 CA MET A 318 7.022 58.918 10.820 1.00 48.63 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
843 ATOM 843 C MET A 318 6.807 60.414 10.768 1.00 47.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
844 ATOM 844 O MET A 318 7.544 61.188 11.368 1.00 49.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
845 ATOM 845 CB MET A 318 7.163 58.438 12.263 1.00 50.30 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
846 ATOM 846 CG MET A 318 7.320 56.915 12.399 1.00 54.18 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
847 ATOM 847 SD MET A 318 5.752 56.006 12.479 1.00 55.05 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
848 ATOM 848 CE MET A 318 5.194 56.201 10.843 1.00 59.94 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
849 ATOM 849 H MET A 318 8.968 58.758 10.485 1.00 49.82 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
850 ATOM 850 N THR A 319 5.772 60.812 10.049 1.00 46.54 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
851 ATOM 851 CA THR A 319 5.447 62.212 9.837 1.00 45.69 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
852 ATOM 852 C THR A 319 5.686 63.200 10.970 1.00 44.15 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
853 ATOM 853 O THR A 319 6.252 64.259 10.739 1.00 46.00 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
854 ATOM 854 CB THR A 319 3.979 62.366 9.380 1.00 48.23 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
855 ATOM 855 OG1 THR A 319 3.732 61.515 8.250 1.00 50.43 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
856 ATOM 856 CG2 THR A 319 3.704 63.799 8.971 1.00 48.30 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
857 ATOM 857 H THR A 319 5.229 60.268 9.663 1.00 46.54 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
858 ATOM 858 HG1 THR A 319 2.933 61.600 8.005 1.00 50.43 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
859 ATOM 859 N TYR A 320 5.275 62.876 12.191 1.00 43.52 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
860 ATOM 860 CA TYR A 320 5.429 63.833 13.286 1.00 42.48 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
861 ATOM 861 C TYR A 320 6.625 63.762 14.249 1.00 42.15 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
862 ATOM 862 O TYR A 320 6.601 64.405 15.296 1.00 42.03 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
863 ATOM 863 CB TYR A 320 4.132 63.883 14.101 1.00 43.64 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
864 ATOM 864 CG TYR A 320 2.947 64.374 13.306 1.00 44.78 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
865 ATOM 865 CD1 TYR A 320 1.908 63.515 12.959 1.00 45.89 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
866 ATOM 866 CD2 TYR A 320 2.888 65.692 12.859 1.00 46.27 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
867 ATOM 867 CE1 TYR A 320 0.844 63.955 12.185 1.00 47.47 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
868 ATOM 868 CE2 TYR A 320 1.826 66.139 12.085 1.00 48.27 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
869 ATOM 869 CZ TYR A 320 0.811 65.265 11.751 1.00 48.03 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
870 ATOM 870 OH TYR A 320 -0.235 65.703 10.979 1.00 50.77 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
871 ATOM 871 H TYR A 320 4.913 62.126 12.406 1.00 43.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
872 ATOM 872 HH TYR A 320 -0.486 65.084 10.470 1.00 50.77 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
873 ATOM 873 N GLY A 321 7.663 62.996 13.919 1.00 39.88 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
874 ATOM 874 CA GLY A 321 8.829 62.959 14.792 1.00 36.79 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
875 ATOM 875 C GLY A 321 8.716 62.205 16.102 1.00 33.97 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
876 ATOM 876 O GLY A 321 7.755 61.475 16.329 1.00 34.33 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
877 ATOM 877 H GLY A 321 7.711 62.504 13.215 1.00 39.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
878 ATOM 878 N ASN A 322 9.703 62.385 16.973 1.00 33.91 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
879 ATOM 879 CA ASN A 322 9.702 61.684 18.242 1.00 34.00 0.184 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
880 ATOM 880 C ASN A 322 8.552 62.154 19.113 1.00 33.63 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
881 ATOM 881 O ASN A 322 8.098 63.290 18.991 1.00 33.58 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
882 ATOM 882 CB ASN A 322 11.048 61.844 18.984 1.00 35.20 0.121 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
883 ATOM 883 CG ASN A 322 11.268 63.238 19.537 1.00 36.09 0.151 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
884 ATOM 884 OD1 ASN A 322 10.911 63.432 20.797 1.00 38.61 -0.178 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
885 ATOM 885 ND2 ASN A 322 11.756 64.128 18.842 1.00 36.06 -0.381 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
886 ATOM 886 H ASN A 322 10.376 62.905 16.847 1.00 33.91 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
887 ATOM 887 1HD2 ASN A 322 11.976 63.965 18.027 1.00 36.06 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
888 ATOM 888 2HD2 ASN A 322 11.877 64.913 19.171 1.00 36.06 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
889 ATOM 889 N LEU A 323 8.094 61.262 19.986 1.00 32.57 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
890 ATOM 890 CA LEU A 323 6.982 61.523 20.885 1.00 32.30 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
891 ATOM 891 C LEU A 323 7.230 62.589 21.963 1.00 33.60 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
892 ATOM 892 O LEU A 323 6.299 63.286 22.373 1.00 33.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
893 ATOM 893 CB LEU A 323 6.570 60.212 21.536 1.00 30.94 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
894 ATOM 894 CG LEU A 323 5.483 60.344 22.585 1.00 30.48 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
895 ATOM 895 CD1 LEU A 323 4.150 60.715 21.910 1.00 27.79 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
896 ATOM 896 CD2 LEU A 323 5.388 59.036 23.348 1.00 24.84 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
897 ATOM 897 H LEU A 323 8.429 60.475 20.072 1.00 32.57 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
898 ATOM 898 N LEU A 324 8.469 62.716 22.433 1.00 33.60 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
899 ATOM 899 CA LEU A 324 8.762 63.718 23.455 1.00 33.37 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
900 ATOM 900 C LEU A 324 8.477 65.138 22.942 1.00 33.08 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
901 ATOM 901 O LEU A 324 7.734 65.882 23.555 1.00 32.10 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
902 ATOM 902 CB LEU A 324 10.225 63.620 23.907 1.00 31.27 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
903 ATOM 903 CG LEU A 324 10.544 64.578 25.058 1.00 32.36 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
904 ATOM 904 CD1 LEU A 324 9.647 64.255 26.238 1.00 29.83 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
905 ATOM 905 CD2 LEU A 324 12.022 64.483 25.447 1.00 31.74 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
906 ATOM 906 H LEU A 324 9.141 62.243 22.180 1.00 33.60 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
907 ATOM 907 N ASP A 325 9.093 65.520 21.831 1.00 34.29 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
908 ATOM 908 CA ASP A 325 8.860 66.841 21.282 1.00 36.72 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
909 ATOM 909 C ASP A 325 7.392 66.981 20.864 1.00 38.00 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
910 ATOM 910 O ASP A 325 6.772 68.018 21.097 1.00 38.78 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
911 ATOM 911 CB ASP A 325 9.782 67.105 20.084 1.00 39.84 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
912 ATOM 912 CG ASP A 325 11.254 67.188 20.486 1.00 43.85 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
913 ATOM 913 OD1 ASP A 325 11.546 67.692 21.594 1.00 47.49 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
914 ATOM 914 OD2 ASP A 325 12.126 66.768 19.700 1.00 45.39 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
915 ATOM 915 H ASP A 325 9.644 65.033 21.385 1.00 34.29 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
916 ATOM 916 N TYR A 326 6.833 65.928 20.274 1.00 36.47 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
917 ATOM 917 CA TYR A 326 5.453 65.961 19.854 1.00 37.67 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
918 ATOM 918 C TYR A 326 4.539 66.385 21.009 1.00 38.33 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
919 ATOM 919 O TYR A 326 3.701 67.260 20.853 1.00 38.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
920 ATOM 920 CB TYR A 326 5.010 64.592 19.339 1.00 39.44 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
921 ATOM 921 CG TYR A 326 3.558 64.572 18.898 1.00 41.71 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
922 ATOM 922 CD1 TYR A 326 3.157 65.168 17.696 1.00 41.51 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
923 ATOM 923 CD2 TYR A 326 2.580 64.009 19.706 1.00 42.65 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
924 ATOM 924 CE1 TYR A 326 1.809 65.205 17.323 1.00 42.93 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
925 ATOM 925 CE2 TYR A 326 1.235 64.041 19.343 1.00 43.15 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
926 ATOM 926 CZ TYR A 326 0.858 64.637 18.156 1.00 43.57 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
927 ATOM 927 OH TYR A 326 -0.475 64.664 17.824 1.00 45.51 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
928 ATOM 928 H TYR A 326 7.242 65.189 20.111 1.00 36.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
929 ATOM 929 HH TYR A 326 -0.556 64.660 16.988 1.00 45.51 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
930 ATOM 930 N LEU A 327 4.704 65.744 22.160 1.00 38.18 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
931 ATOM 931 CA LEU A 327 3.909 66.044 23.336 1.00 35.41 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
932 ATOM 932 C LEU A 327 4.109 67.475 23.800 1.00 36.69 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
933 ATOM 933 O LEU A 327 3.172 68.125 24.249 1.00 36.98 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
934 ATOM 934 CB LEU A 327 4.275 65.100 24.478 1.00 32.68 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
935 ATOM 935 CG LEU A 327 3.775 63.664 24.363 1.00 33.26 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
936 ATOM 936 CD1 LEU A 327 4.461 62.798 25.414 1.00 34.30 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
937 ATOM 937 CD2 LEU A 327 2.252 63.637 24.535 1.00 30.97 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
938 ATOM 938 H LEU A 327 5.284 65.120 22.278 1.00 38.18 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
939 ATOM 939 N ARG A 328 5.332 67.970 23.683 1.00 36.27 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
940 ATOM 940 CA ARG A 328 5.633 69.322 24.125 1.00 36.59 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
941 ATOM 941 C ARG A 328 5.129 70.400 23.187 1.00 36.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
942 ATOM 942 O ARG A 328 4.878 71.525 23.610 1.00 38.44 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
943 ATOM 943 CB ARG A 328 7.149 69.498 24.306 1.00 35.39 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
944 ATOM 944 CG ARG A 328 7.754 68.638 25.424 1.00 37.06 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
945 ATOM 945 CD ARG A 328 9.276 68.791 25.496 1.00 34.81 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
946 ATOM 946 NE ARG A 328 9.803 68.147 26.692 1.00 38.53 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
947 ATOM 947 CZ ARG A 328 11.100 68.015 26.988 1.00 37.78 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
948 ATOM 948 NH1 ARG A 328 12.035 68.481 26.177 1.00 30.95 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
949 ATOM 949 NH2 ARG A 328 11.460 67.412 28.113 1.00 35.64 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
950 ATOM 950 H ARG A 328 6.000 67.541 23.352 1.00 36.27 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
951 ATOM 951 HE ARG A 328 9.235 67.826 27.252 1.00 38.53 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
952 ATOM 952 HH11 ARG A 328 11.812 68.876 25.446 1.00 30.95 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
953 ATOM 953 HH12 ARG A 328 12.866 68.389 26.380 1.00 30.95 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
954 ATOM 954 HH21 ARG A 328 10.860 67.108 28.649 1.00 35.64 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
955 ATOM 955 HH22 ARG A 328 12.293 67.325 28.307 1.00 35.64 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
956 ATOM 956 N GLU A 329 4.959 70.060 21.920 1.00 36.01 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
957 ATOM 957 CA GLU A 329 4.546 71.049 20.930 1.00 37.41 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
958 ATOM 958 C GLU A 329 3.140 70.874 20.374 1.00 37.53 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
959 ATOM 959 O GLU A 329 2.721 71.615 19.480 1.00 37.45 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
960 ATOM 960 CB GLU A 329 5.545 71.022 19.771 1.00 39.17 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
961 ATOM 961 CG GLU A 329 6.991 71.338 20.181 1.00 42.45 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
962 ATOM 962 CD GLU A 329 8.012 70.838 19.171 1.00 46.68 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
963 ATOM 963 OE1 GLU A 329 7.658 70.672 17.984 1.00 51.01 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
964 ATOM 964 OE2 GLU A 329 9.181 70.617 19.556 1.00 49.36 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
965 ATOM 965 H GLU A 329 5.076 69.266 21.610 1.00 36.01 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
966 ATOM 966 N CYS A 330 2.398 69.916 20.906 1.00 35.53 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
967 ATOM 967 CA CYS A 330 1.067 69.657 20.383 1.00 37.57 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
968 ATOM 968 C CYS A 330 -0.049 70.596 20.858 1.00 38.66 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
969 ATOM 969 O CYS A 330 0.096 71.361 21.821 1.00 38.11 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
970 ATOM 970 CB CYS A 330 0.659 68.228 20.715 1.00 36.60 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
971 ATOM 971 SG CYS A 330 0.233 67.994 22.449 1.00 40.89 -0.180 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
972 ATOM 972 H CYS A 330 2.640 69.412 21.559 1.00 35.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
973 ATOM 973 HG CYS A 330 1.232 68.011 23.113 1.00 40.89 0.101 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
974 ATOM 974 N ASN A 331 -1.164 70.518 20.144 1.00 38.83 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
975 ATOM 975 CA ASN A 331 -2.365 71.274 20.450 1.00 38.95 0.184 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
976 ATOM 976 C ASN A 331 -3.002 70.361 21.485 1.00 37.25 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
977 ATOM 977 O ASN A 331 -3.434 69.266 21.150 1.00 37.83 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
978 ATOM 978 CB ASN A 331 -3.215 71.382 19.167 1.00 38.86 0.121 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
979 ATOM 979 CG ASN A 331 -4.664 71.810 19.419 1.00 38.55 0.151 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
980 ATOM 980 OD1 ASN A 331 -5.095 71.820 20.674 1.00 40.96 -0.178 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
981 ATOM 981 ND2 ASN A 331 -5.384 72.118 18.470 1.00 33.73 -0.381 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
982 ATOM 982 H ASN A 331 -1.243 70.012 19.453 1.00 38.83 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
983 ATOM 983 1HD2 ASN A 331 -5.071 72.100 17.669 1.00 33.73 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
984 ATOM 984 2HD2 ASN A 331 -6.200 72.351 18.607 1.00 33.73 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
985 ATOM 985 N ARG A 332 -3.043 70.794 22.739 1.00 37.72 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
986 ATOM 986 CA ARG A 332 -3.610 69.959 23.794 1.00 40.78 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
987 ATOM 987 C ARG A 332 -5.115 69.720 23.740 1.00 42.35 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
988 ATOM 988 O ARG A 332 -5.636 68.869 24.471 1.00 43.70 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
989 ATOM 989 CB ARG A 332 -3.252 70.521 25.171 1.00 39.93 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
990 ATOM 990 CG ARG A 332 -1.781 70.639 25.389 1.00 39.42 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
991 ATOM 991 CD ARG A 332 -1.472 70.777 26.858 1.00 40.21 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
992 ATOM 992 NE ARG A 332 -0.051 70.992 27.057 1.00 37.68 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
993 ATOM 993 CZ ARG A 332 0.533 71.065 28.242 1.00 41.10 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
994 ATOM 994 NH1 ARG A 332 -0.189 70.941 29.345 1.00 41.67 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
995 ATOM 995 NH2 ARG A 332 1.845 71.254 28.318 1.00 42.07 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
996 ATOM 996 H ARG A 332 -2.751 71.560 23.000 1.00 37.72 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
997 ATOM 997 HE ARG A 332 0.444 71.078 26.359 1.00 37.68 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
998 ATOM 998 HH11 ARG A 332 -1.038 70.813 29.291 1.00 41.67 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
999 ATOM 999 HH12 ARG A 332 0.191 70.988 30.115 1.00 41.67 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1000 ATOM 1000 HH21 ARG A 332 2.311 71.328 27.599 1.00 42.07 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1001 ATOM 1001 HH22 ARG A 332 2.229 71.302 29.086 1.00 42.07 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1002 ATOM 1002 N GLN A 333 -5.817 70.480 22.910 1.00 44.10 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1003 ATOM 1003 CA GLN A 333 -7.258 70.294 22.768 1.00 47.07 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1004 ATOM 1004 C GLN A 333 -7.467 69.106 21.840 1.00 47.20 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1005 ATOM 1005 O GLN A 333 -8.461 68.393 21.950 1.00 50.08 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1006 ATOM 1006 CB GLN A 333 -7.909 71.548 22.185 1.00 45.85 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1007 ATOM 1007 CG GLN A 333 -7.920 72.708 23.152 1.00 46.30 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1008 ATOM 1008 CD GLN A 333 -8.808 72.439 24.355 1.00 46.63 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1009 ATOM 1009 OE1 GLN A 333 -9.993 72.147 24.199 1.00 48.55 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1010 ATOM 1010 NE2 GLN A 333 -8.243 72.535 25.557 1.00 40.82 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1011 ATOM 1011 H GLN A 333 -5.483 71.105 22.422 1.00 44.10 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1012 ATOM 1012 1HE2 GLN A 333 -7.411 72.742 25.626 1.00 40.82 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1013 ATOM 1013 2HE2 GLN A 333 -8.710 72.390 26.264 1.00 40.82 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1014 ATOM 1014 N GLU A 334 -6.511 68.899 20.940 1.00 47.17 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1015 ATOM 1015 CA GLU A 334 -6.543 67.790 19.995 1.00 46.57 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1016 ATOM 1016 C GLU A 334 -5.974 66.555 20.696 1.00 47.27 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1017 ATOM 1017 O GLU A 334 -6.605 65.494 20.720 1.00 46.26 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1018 ATOM 1018 CB GLU A 334 -5.692 68.124 18.779 1.00 48.53 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1019 ATOM 1019 CG GLU A 334 -5.659 67.056 17.710 1.00 52.64 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1020 ATOM 1020 CD GLU A 334 -4.497 67.261 16.749 1.00 57.20 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1021 ATOM 1021 OE1 GLU A 334 -4.291 68.416 16.295 1.00 59.19 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1022 ATOM 1022 OE2 GLU A 334 -3.792 66.267 16.452 1.00 55.75 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1023 ATOM 1023 H GLU A 334 -5.819 69.404 20.861 1.00 47.17 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1024 ATOM 1024 N VAL A 335 -4.782 66.696 21.273 1.00 45.90 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1025 ATOM 1025 CA VAL A 335 -4.149 65.588 21.986 1.00 43.72 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1026 ATOM 1026 C VAL A 335 -4.699 65.595 23.404 1.00 44.12 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1027 ATOM 1027 O VAL A 335 -4.002 65.886 24.370 1.00 46.31 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1028 ATOM 1028 CB VAL A 335 -2.600 65.729 22.018 1.00 42.19 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1029 ATOM 1029 CG1 VAL A 335 -1.984 64.473 22.598 1.00 37.13 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1030 ATOM 1030 CG2 VAL A 335 -2.059 65.977 20.614 1.00 38.23 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1031 ATOM 1031 H VAL A 335 -4.324 67.424 21.263 1.00 45.90 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1032 ATOM 1032 N SER A 336 -5.974 65.270 23.517 1.00 45.81 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1033 ATOM 1033 CA SER A 336 -6.665 65.259 24.798 1.00 45.15 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1034 ATOM 1034 C SER A 336 -6.419 63.996 25.603 1.00 45.22 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1035 ATOM 1035 O SER A 336 -5.672 63.109 25.195 1.00 47.09 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1036 ATOM 1036 CB SER A 336 -8.163 65.409 24.564 1.00 46.42 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1037 ATOM 1037 OG SER A 336 -8.618 64.392 23.681 1.00 50.40 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1038 ATOM 1038 H SER A 336 -6.469 65.048 22.850 1.00 45.81 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1039 ATOM 1039 HG SER A 336 -9.444 64.478 23.556 1.00 50.40 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1040 ATOM 1040 N ALA A 337 -7.081 63.920 26.750 1.00 43.19 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1041 ATOM 1041 CA ALA A 337 -6.963 62.780 27.652 1.00 42.34 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1042 ATOM 1042 C ALA A 337 -7.133 61.420 26.980 1.00 41.27 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1043 ATOM 1043 O ALA A 337 -6.395 60.489 27.292 1.00 43.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1044 ATOM 1044 CB ALA A 337 -7.980 62.919 28.793 1.00 41.53 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1045 ATOM 1045 H ALA A 337 -7.616 64.533 27.030 1.00 43.19 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1046 ATOM 1046 N VAL A 338 -8.105 61.301 26.078 1.00 39.97 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1047 ATOM 1047 CA VAL A 338 -8.366 60.036 25.397 1.00 38.82 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1048 ATOM 1048 C VAL A 338 -7.258 59.696 24.410 1.00 37.66 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1049 ATOM 1049 O VAL A 338 -6.969 58.540 24.185 1.00 39.92 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1050 ATOM 1050 CB VAL A 338 -9.755 60.033 24.664 1.00 38.49 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1051 ATOM 1051 CG1 VAL A 338 -9.783 61.078 23.550 1.00 38.16 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1052 ATOM 1052 CG2 VAL A 338 -10.049 58.631 24.103 1.00 37.92 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1053 ATOM 1053 H VAL A 338 -8.626 61.944 25.846 1.00 39.97 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1054 ATOM 1054 N VAL A 339 -6.634 60.708 23.830 1.00 37.88 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1055 ATOM 1055 CA VAL A 339 -5.544 60.476 22.904 1.00 37.59 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1056 ATOM 1056 C VAL A 339 -4.294 60.019 23.667 1.00 39.13 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1057 ATOM 1057 O VAL A 339 -3.543 59.197 23.169 1.00 38.50 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1058 ATOM 1058 CB VAL A 339 -5.217 61.743 22.106 1.00 37.69 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1059 ATOM 1059 CG1 VAL A 339 -3.970 61.519 21.246 1.00 35.99 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1060 ATOM 1060 CG2 VAL A 339 -6.409 62.118 21.242 1.00 39.42 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1061 ATOM 1061 H VAL A 339 -6.827 61.536 23.960 1.00 37.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1062 ATOM 1062 N LEU A 340 -4.075 60.546 24.872 1.00 39.53 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1063 ATOM 1063 CA LEU A 340 -2.906 60.145 25.661 1.00 41.49 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1064 ATOM 1064 C LEU A 340 -3.024 58.680 26.043 1.00 41.70 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1065 ATOM 1065 O LEU A 340 -2.054 57.927 26.015 1.00 44.76 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1066 ATOM 1066 CB LEU A 340 -2.808 60.972 26.937 1.00 40.85 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1067 ATOM 1067 CG LEU A 340 -2.579 62.464 26.769 1.00 39.95 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1068 ATOM 1068 CD1 LEU A 340 -2.576 63.105 28.156 1.00 41.12 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1069 ATOM 1069 CD2 LEU A 340 -1.258 62.712 26.041 1.00 35.69 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1070 ATOM 1070 H LEU A 340 -4.583 61.129 25.248 1.00 39.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1071 ATOM 1071 N LEU A 341 -4.231 58.286 26.414 1.00 41.13 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1072 ATOM 1072 CA LEU A 341 -4.495 56.910 26.788 1.00 39.99 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1073 ATOM 1073 C LEU A 341 -4.298 56.002 25.562 1.00 38.25 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1074 ATOM 1074 O LEU A 341 -3.799 54.884 25.667 1.00 39.57 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1075 ATOM 1075 CB LEU A 341 -5.927 56.808 27.301 1.00 40.25 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1076 ATOM 1076 CG LEU A 341 -6.394 55.430 27.713 1.00 42.15 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1077 ATOM 1077 CD1 LEU A 341 -5.776 55.066 29.061 1.00 42.42 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1078 ATOM 1078 CD2 LEU A 341 -7.913 55.445 27.790 1.00 45.61 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1079 ATOM 1079 H LEU A 341 -4.916 58.805 26.456 1.00 41.13 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1080 ATOM 1080 N TYR A 342 -4.712 56.484 24.400 1.00 36.75 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1081 ATOM 1081 CA TYR A 342 -4.554 55.713 23.177 1.00 36.90 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1082 ATOM 1082 C TYR A 342 -3.053 55.517 22.918 1.00 36.03 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1083 ATOM 1083 O TYR A 342 -2.619 54.428 22.564 1.00 36.04 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1084 ATOM 1084 CB TYR A 342 -5.215 56.443 21.997 1.00 35.28 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1085 ATOM 1085 CG TYR A 342 -5.036 55.779 20.638 1.00 33.44 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1086 ATOM 1086 CD1 TYR A 342 -5.233 54.417 20.470 1.00 32.47 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1087 ATOM 1087 CD2 TYR A 342 -4.658 56.528 19.523 1.00 35.58 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1088 ATOM 1088 CE1 TYR A 342 -5.050 53.808 19.215 1.00 33.82 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1089 ATOM 1089 CE2 TYR A 342 -4.476 55.940 18.270 1.00 33.93 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1090 ATOM 1090 CZ TYR A 342 -4.666 54.575 18.123 1.00 35.64 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1091 ATOM 1091 OH TYR A 342 -4.436 53.982 16.889 1.00 36.88 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1092 ATOM 1092 H TYR A 342 -5.085 57.252 24.297 1.00 36.75 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1093 ATOM 1093 HH TYR A 342 -4.214 54.570 16.332 1.00 36.88 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1094 ATOM 1094 N MET A 343 -2.265 56.568 23.109 1.00 35.93 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1095 ATOM 1095 CA MET A 343 -0.824 56.475 22.881 1.00 37.59 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1096 ATOM 1096 C MET A 343 -0.172 55.467 23.838 1.00 36.77 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1097 ATOM 1097 O MET A 343 0.688 54.702 23.432 1.00 33.95 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1098 ATOM 1098 CB MET A 343 -0.173 57.857 23.015 1.00 39.67 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1099 ATOM 1099 CG MET A 343 -0.579 58.819 21.911 1.00 41.27 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1100 ATOM 1100 SD MET A 343 0.254 60.426 22.024 1.00 48.93 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1101 ATOM 1101 CE MET A 343 0.023 60.764 23.649 1.00 39.76 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1102 ATOM 1102 H MET A 343 -2.540 57.340 23.369 1.00 35.93 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1103 ATOM 1103 N ALA A 344 -0.605 55.446 25.095 1.00 38.27 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1104 ATOM 1104 CA ALA A 344 -0.047 54.502 26.063 1.00 38.51 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1105 ATOM 1105 C ALA A 344 -0.471 53.069 25.763 1.00 40.06 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1106 ATOM 1106 O ALA A 344 0.278 52.130 26.047 1.00 40.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1107 ATOM 1107 CB ALA A 344 -0.467 54.883 27.469 1.00 37.23 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1108 ATOM 1108 H ALA A 344 -1.216 55.965 25.407 1.00 38.27 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1109 ATOM 1109 N THR A 345 -1.668 52.890 25.206 1.00 40.28 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1110 ATOM 1110 CA THR A 345 -2.135 51.548 24.881 1.00 41.53 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1111 ATOM 1111 C THR A 345 -1.290 50.972 23.744 1.00 40.72 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1112 ATOM 1112 O THR A 345 -0.906 49.801 23.786 1.00 41.08 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1113 ATOM 1113 CB THR A 345 -3.628 51.539 24.455 1.00 44.57 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1114 ATOM 1114 OG1 THR A 345 -4.447 51.944 25.559 1.00 49.40 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1115 ATOM 1115 CG2 THR A 345 -4.046 50.149 24.034 1.00 45.07 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1116 ATOM 1116 H THR A 345 -2.216 53.523 25.011 1.00 40.28 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1117 ATOM 1117 HG1 THR A 345 -4.350 52.768 25.693 1.00 49.40 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1118 ATOM 1118 N GLN A 346 -1.001 51.796 22.737 1.00 38.21 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1119 ATOM 1119 CA GLN A 346 -0.189 51.371 21.597 1.00 38.43 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1120 ATOM 1120 C GLN A 346 1.211 50.942 22.027 1.00 38.09 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1121 ATOM 1121 O GLN A 346 1.725 49.925 21.572 1.00 37.81 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1122 ATOM 1122 CB GLN A 346 -0.075 52.504 20.575 1.00 38.03 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1123 ATOM 1123 CG GLN A 346 -1.395 52.857 19.897 1.00 37.52 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1124 ATOM 1124 CD GLN A 346 -1.248 54.037 18.968 1.00 39.29 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1125 ATOM 1125 OE1 GLN A 346 -0.645 53.926 17.904 1.00 37.62 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1126 ATOM 1126 NE2 GLN A 346 -1.779 55.191 19.380 1.00 38.11 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1127 ATOM 1127 H GLN A 346 -1.268 52.612 22.695 1.00 38.21 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1128 ATOM 1128 1HE2 GLN A 346 -2.194 55.229 20.132 1.00 38.11 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1129 ATOM 1129 2HE2 GLN A 346 -1.706 55.896 18.893 1.00 38.11 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1130 ATOM 1130 N ILE A 347 1.826 51.727 22.905 1.00 38.11 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1131 ATOM 1131 CA ILE A 347 3.157 51.423 23.392 1.00 38.56 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1132 ATOM 1132 C ILE A 347 3.169 50.123 24.188 1.00 40.26 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1133 ATOM 1133 O ILE A 347 4.034 49.275 23.979 1.00 42.91 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1134 ATOM 1134 CB ILE A 347 3.701 52.566 24.275 1.00 37.54 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1135 ATOM 1135 CG1 ILE A 347 3.970 53.795 23.411 1.00 35.73 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1136 ATOM 1136 CG2 ILE A 347 4.975 52.124 24.973 1.00 34.46 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1137 ATOM 1137 CD1 ILE A 347 4.156 55.047 24.202 1.00 36.41 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1138 ATOM 1138 H ILE A 347 1.483 52.445 23.231 1.00 38.11 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1139 ATOM 1139 N SER A 348 2.212 49.959 25.092 1.00 39.20 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1140 ATOM 1140 CA SER A 348 2.155 48.742 25.885 1.00 41.06 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1141 ATOM 1141 C SER A 348 1.936 47.525 24.975 1.00 41.67 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1142 ATOM 1142 O SER A 348 2.343 46.412 25.307 1.00 40.40 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1143 ATOM 1143 CB SER A 348 1.028 48.824 26.922 1.00 42.16 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1144 ATOM 1144 OG SER A 348 -0.238 48.902 26.290 1.00 45.50 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1145 ATOM 1145 H SER A 348 1.594 50.533 25.260 1.00 39.20 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1146 ATOM 1146 HG SER A 348 -0.141 49.169 25.499 1.00 45.50 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1147 ATOM 1147 N SER A 349 1.295 47.739 23.829 1.00 40.95 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1148 ATOM 1148 CA SER A 349 1.042 46.644 22.904 1.00 40.71 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1149 ATOM 1149 C SER A 349 2.368 46.183 22.307 1.00 40.55 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1150 ATOM 1150 O SER A 349 2.666 44.996 22.273 1.00 40.90 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1151 ATOM 1151 CB SER A 349 0.076 47.086 21.802 1.00 39.39 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1152 ATOM 1152 OG SER A 349 -0.187 46.014 20.925 1.00 43.03 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1153 ATOM 1153 H SER A 349 1.001 48.505 23.572 1.00 40.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1154 ATOM 1154 HG SER A 349 -0.718 46.266 20.325 1.00 43.03 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1155 ATOM 1155 N ALA A 350 3.163 47.137 21.846 1.00 40.37 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1156 ATOM 1156 CA ALA A 350 4.473 46.832 21.281 1.00 40.24 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1157 ATOM 1157 C ALA A 350 5.338 46.113 22.317 1.00 40.76 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1158 ATOM 1158 O ALA A 350 6.044 45.164 21.995 1.00 42.55 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1159 ATOM 1159 CB ALA A 350 5.165 48.132 20.832 1.00 38.86 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1160 ATOM 1160 H ALA A 350 2.963 47.973 21.850 1.00 40.37 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1161 ATOM 1161 N MET A 351 5.279 46.573 23.564 1.00 41.82 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1162 ATOM 1162 CA MET A 351 6.063 45.975 24.636 1.00 42.52 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1163 ATOM 1163 C MET A 351 5.554 44.587 25.031 1.00 44.55 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1164 ATOM 1164 O MET A 351 6.338 43.742 25.450 1.00 46.04 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1165 ATOM 1165 CB MET A 351 6.081 46.900 25.862 1.00 40.97 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1166 ATOM 1166 CG MET A 351 6.732 48.255 25.604 1.00 39.49 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1167 ATOM 1167 SD MET A 351 8.351 48.094 24.793 1.00 40.02 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1168 ATOM 1168 CE MET A 351 9.247 47.130 26.050 1.00 39.45 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1169 ATOM 1169 H MET A 351 4.787 47.235 23.809 1.00 41.82 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1170 ATOM 1170 N GLU A 352 4.248 44.348 24.924 1.00 45.93 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1171 ATOM 1171 CA GLU A 352 3.711 43.024 25.248 1.00 46.20 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1172 ATOM 1172 C GLU A 352 4.247 42.043 24.204 1.00 44.09 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1173 ATOM 1173 O GLU A 352 4.561 40.893 24.508 1.00 44.02 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1174 ATOM 1174 CB GLU A 352 2.182 43.025 25.217 1.00 47.56 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1175 ATOM 1175 CG GLU A 352 1.586 41.639 25.058 1.00 53.66 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1176 ATOM 1176 CD GLU A 352 0.074 41.629 25.139 1.00 57.38 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1177 ATOM 1177 OE1 GLU A 352 -0.565 42.614 24.707 1.00 60.10 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1178 ATOM 1178 OE2 GLU A 352 -0.482 40.621 25.622 1.00 61.38 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1179 ATOM 1179 H GLU A 352 3.664 44.926 24.670 1.00 45.93 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1180 ATOM 1180 N TYR A 353 4.344 42.518 22.971 1.00 42.13 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1181 ATOM 1181 CA TYR A 353 4.859 41.716 21.874 1.00 42.84 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1182 ATOM 1182 C TYR A 353 6.318 41.352 22.149 1.00 44.65 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1183 ATOM 1183 O TYR A 353 6.714 40.199 22.000 1.00 44.53 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1184 ATOM 1184 CB TYR A 353 4.775 42.506 20.572 1.00 40.43 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1185 ATOM 1185 CG TYR A 353 5.567 41.900 19.437 1.00 42.43 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1186 ATOM 1186 CD1 TYR A 353 5.073 40.812 18.706 1.00 42.60 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1187 ATOM 1187 CD2 TYR A 353 6.798 42.431 19.074 1.00 38.61 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1188 ATOM 1188 CE1 TYR A 353 5.795 40.275 17.632 1.00 42.36 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1189 ATOM 1189 CE2 TYR A 353 7.519 41.915 18.020 1.00 41.85 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1190 ATOM 1190 CZ TYR A 353 7.019 40.836 17.293 1.00 43.08 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1191 ATOM 1191 OH TYR A 353 7.746 40.365 16.220 1.00 42.21 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1192 ATOM 1192 H TYR A 353 4.113 43.315 22.747 1.00 42.13 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1193 ATOM 1193 HH TYR A 353 7.222 40.061 15.638 1.00 42.21 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1194 ATOM 1194 N LEU A 354 7.109 42.353 22.542 1.00 45.47 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1195 ATOM 1195 CA LEU A 354 8.525 42.170 22.837 1.00 47.02 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1196 ATOM 1196 C LEU A 354 8.714 41.267 24.053 1.00 48.01 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1197 ATOM 1197 O LEU A 354 9.678 40.511 24.125 1.00 49.03 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1198 ATOM 1198 CB LEU A 354 9.184 43.532 23.085 1.00 46.62 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1199 ATOM 1199 CG LEU A 354 10.272 44.022 22.121 1.00 48.00 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1200 ATOM 1200 CD1 LEU A 354 9.989 43.617 20.692 1.00 44.57 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1201 ATOM 1201 CD2 LEU A 354 10.370 45.537 22.231 1.00 47.87 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1202 ATOM 1202 H LEU A 354 6.834 43.161 22.644 1.00 45.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1203 ATOM 1203 N GLU A 355 7.792 41.351 25.005 1.00 49.58 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1204 ATOM 1204 CA GLU A 355 7.853 40.524 26.210 1.00 52.53 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1205 ATOM 1205 C GLU A 355 7.677 39.063 25.818 1.00 55.37 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1206 ATOM 1206 O GLU A 355 8.389 38.182 26.289 1.00 57.80 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1207 ATOM 1207 CB GLU A 355 6.742 40.922 27.176 1.00 50.26 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1208 ATOM 1208 CG GLU A 355 6.637 40.052 28.416 1.00 51.37 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1209 ATOM 1209 CD GLU A 355 5.620 40.591 29.407 1.00 53.17 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1210 ATOM 1210 OE1 GLU A 355 4.398 40.487 29.133 1.00 52.71 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1211 ATOM 1211 OE2 GLU A 355 6.048 41.133 30.456 1.00 53.68 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1212 ATOM 1212 H GLU A 355 7.118 41.884 24.974 1.00 49.58 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1213 ATOM 1213 N LYS A 356 6.711 38.831 24.944 1.00 57.60 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1214 ATOM 1214 CA LYS A 356 6.389 37.511 24.442 1.00 59.14 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1215 ATOM 1215 C LYS A 356 7.597 36.957 23.685 1.00 58.61 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1216 ATOM 1216 O LYS A 356 7.946 35.790 23.810 1.00 58.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1217 ATOM 1217 CB LYS A 356 5.184 37.648 23.509 1.00 60.47 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1218 ATOM 1218 CG LYS A 356 4.512 36.367 23.064 1.00 64.66 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1219 ATOM 1219 CD LYS A 356 3.386 36.701 22.078 1.00 66.99 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1220 ATOM 1220 CE LYS A 356 2.414 37.723 22.683 1.00 68.79 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1221 ATOM 1221 NZ LYS A 356 1.611 38.460 21.652 1.00 69.89 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1222 ATOM 1222 H LYS A 356 6.213 39.453 24.619 1.00 57.60 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1223 ATOM 1223 HZ1 LYS A 356 1.067 39.037 22.056 1.00 69.89 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1224 ATOM 1224 HZ2 LYS A 356 2.160 38.902 21.108 1.00 69.89 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1225 ATOM 1225 HZ3 LYS A 356 1.129 37.879 21.180 1.00 69.89 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1226 ATOM 1226 N LYS A 357 8.240 37.820 22.913 1.00 59.31 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1227 ATOM 1227 CA LYS A 357 9.392 37.441 22.101 1.00 60.70 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1228 ATOM 1228 C LYS A 357 10.659 37.276 22.944 1.00 60.33 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1229 ATOM 1229 O LYS A 357 11.701 36.853 22.446 1.00 58.94 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1230 ATOM 1230 CB LYS A 357 9.618 38.518 21.039 1.00 62.10 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1231 ATOM 1231 CG LYS A 357 10.171 38.032 19.719 1.00 66.85 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1232 ATOM 1232 CD LYS A 357 9.094 37.417 18.844 1.00 69.23 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1233 ATOM 1233 CE LYS A 357 9.669 37.010 17.490 1.00 70.09 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1234 ATOM 1234 NZ LYS A 357 8.617 36.456 16.591 1.00 72.08 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1235 ATOM 1235 H LYS A 357 8.021 38.649 22.843 1.00 59.31 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1236 ATOM 1236 HZ1 LYS A 357 8.982 36.228 15.812 1.00 72.08 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1237 ATOM 1237 HZ2 LYS A 357 8.252 35.737 16.968 1.00 72.08 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1238 ATOM 1238 HZ3 LYS A 357 7.988 37.071 16.455 1.00 72.08 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1239 ATOM 1239 N ASN A 358 10.566 37.612 24.226 1.00 60.78 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1240 ATOM 1240 CA ASN A 358 11.716 37.527 25.121 1.00 61.01 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1241 ATOM 1241 C ASN A 358 12.806 38.527 24.719 1.00 60.05 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1242 ATOM 1242 O ASN A 358 13.996 38.294 24.937 1.00 59.53 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1243 ATOM 1243 CB ASN A 358 12.292 36.101 25.132 1.00 64.04 0.137 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1244 ATOM 1244 CG ASN A 358 11.425 35.118 25.923 1.00 65.86 0.217 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1245 ATOM 1245 OD1 ASN A 358 11.228 35.276 27.129 1.00 66.06 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1246 ATOM 1246 ND2 ASN A 358 10.907 34.098 25.240 1.00 66.38 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1247 ATOM 1247 H ASN A 358 9.844 37.893 24.599 1.00 60.78 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1248 ATOM 1248 1HD2 ASN A 358 10.414 33.518 25.641 1.00 66.38 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1249 ATOM 1249 2HD2 ASN A 358 11.066 34.019 24.398 1.00 66.38 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1250 ATOM 1250 N PHE A 359 12.392 39.639 24.119 1.00 58.12 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1251 ATOM 1251 CA PHE A 359 13.323 40.691 23.722 1.00 58.05 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1252 ATOM 1252 C PHE A 359 13.314 41.796 24.787 1.00 57.03 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1253 ATOM 1253 O PHE A 359 12.266 42.126 25.351 1.00 57.27 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1254 ATOM 1254 CB PHE A 359 12.920 41.291 22.376 1.00 60.55 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1255 ATOM 1255 CG PHE A 359 13.363 40.486 21.187 1.00 64.40 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1256 ATOM 1256 CD1 PHE A 359 13.128 39.118 21.120 1.00 65.90 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1257 ATOM 1257 CD2 PHE A 359 13.995 41.108 20.114 1.00 66.59 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1258 ATOM 1258 CE1 PHE A 359 13.517 38.381 20.000 1.00 67.23 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1259 ATOM 1259 CE2 PHE A 359 14.386 40.379 18.989 1.00 67.13 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1260 ATOM 1260 CZ PHE A 359 14.144 39.012 18.933 1.00 66.65 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1261 ATOM 1261 H PHE A 359 11.569 39.805 23.931 1.00 58.12 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1262 ATOM 1262 N ILE A 360 14.481 42.360 25.069 1.00 54.55 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1263 ATOM 1263 CA ILE A 360 14.582 43.430 26.059 1.00 52.04 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1264 ATOM 1264 C ILE A 360 14.886 44.707 25.292 1.00 49.79 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1265 ATOM 1265 O ILE A 360 15.692 44.689 24.360 1.00 49.73 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1266 ATOM 1266 CB ILE A 360 15.704 43.145 27.065 1.00 51.95 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1267 ATOM 1267 CG1 ILE A 360 15.440 41.795 27.747 1.00 52.60 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1268 ATOM 1268 CG2 ILE A 360 15.779 44.265 28.094 1.00 51.86 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1269 ATOM 1269 CD1 ILE A 360 16.595 41.287 28.622 1.00 53.49 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1270 ATOM 1270 H ILE A 360 15.226 42.140 24.701 1.00 54.55 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1271 ATOM 1271 N HIS A 361 14.239 45.809 25.664 1.00 47.27 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1272 ATOM 1272 CA HIS A 361 14.451 47.071 24.958 1.00 45.47 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1273 ATOM 1273 C HIS A 361 15.640 47.857 25.514 1.00 45.39 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1274 ATOM 1274 O HIS A 361 16.502 48.304 24.751 1.00 43.57 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1275 ATOM 1275 CB HIS A 361 13.177 47.932 24.997 1.00 41.52 0.095 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1276 ATOM 1276 CG HIS A 361 13.251 49.141 24.118 1.00 39.00 0.053 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1277 ATOM 1277 ND1 HIS A 361 14.105 50.194 24.380 1.00 37.11 -0.247 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1278 ATOM 1278 CD2 HIS A 361 12.635 49.435 22.952 1.00 36.00 0.116 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1279 ATOM 1279 CE1 HIS A 361 14.011 51.082 23.404 1.00 38.30 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1280 ATOM 1280 NE2 HIS A 361 13.126 50.643 22.526 1.00 37.47 -0.359 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1281 ATOM 1281 H HIS A 361 13.679 45.848 26.315 1.00 47.27 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1282 ATOM 1282 HE2 HIS A 361 12.895 51.049 21.804 1.00 37.47 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1283 ATOM 1283 N ARG A 362 15.664 48.033 26.835 1.00 46.49 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1284 ATOM 1284 CA ARG A 362 16.754 48.731 27.534 1.00 47.82 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1285 ATOM 1285 C ARG A 362 16.786 50.251 27.497 1.00 46.70 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1286 ATOM 1286 O ARG A 362 17.549 50.863 28.242 1.00 47.67 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1287 ATOM 1287 CB ARG A 362 18.115 48.209 27.072 1.00 49.18 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1288 ATOM 1288 CG ARG A 362 18.425 46.794 27.537 1.00 55.53 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1289 ATOM 1289 CD ARG A 362 19.847 46.389 27.155 1.00 60.29 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1290 ATOM 1290 NE ARG A 362 20.258 45.154 27.818 1.00 66.49 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1291 ATOM 1291 CZ ARG A 362 21.441 44.569 27.647 1.00 69.99 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1292 ATOM 1292 NH1 ARG A 362 22.335 45.109 26.827 1.00 70.84 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1293 ATOM 1293 NH2 ARG A 362 21.732 43.447 28.299 1.00 70.82 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1294 ATOM 1294 H ARG A 362 15.044 47.749 27.359 1.00 46.49 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1295 ATOM 1295 HE ARG A 362 19.699 44.780 28.354 1.00 66.49 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1296 ATOM 1296 HH11 ARG A 362 22.149 45.836 26.407 1.00 70.84 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1297 ATOM 1297 HH12 ARG A 362 23.100 44.732 26.716 1.00 70.84 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1298 ATOM 1298 HH21 ARG A 362 21.155 43.098 28.833 1.00 70.82 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1299 ATOM 1299 HH22 ARG A 362 22.497 43.071 28.187 1.00 70.82 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1300 ATOM 1300 N ASP A 363 15.993 50.877 26.636 1.00 45.28 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1301 ATOM 1301 CA ASP A 363 15.986 52.331 26.616 1.00 42.72 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1302 ATOM 1302 C ASP A 363 14.624 52.900 26.243 1.00 41.10 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1303 ATOM 1303 O ASP A 363 14.522 53.793 25.407 1.00 38.36 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1304 ATOM 1304 CB ASP A 363 17.070 52.857 25.673 1.00 42.84 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1305 ATOM 1305 CG ASP A 363 17.384 54.319 25.920 1.00 43.70 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1306 ATOM 1306 OD1 ASP A 363 17.048 54.816 27.015 1.00 43.93 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1307 ATOM 1307 OD2 ASP A 363 17.967 54.971 25.035 1.00 42.97 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1308 ATOM 1308 H ASP A 363 15.468 50.493 26.073 1.00 45.28 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1309 ATOM 1309 N LEU A 364 13.586 52.369 26.881 1.00 38.67 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1310 ATOM 1310 CA LEU A 364 12.225 52.815 26.639 1.00 38.23 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1311 ATOM 1311 C LEU A 364 12.035 54.193 27.263 1.00 37.60 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1312 ATOM 1312 O LEU A 364 12.259 54.395 28.463 1.00 36.76 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1313 ATOM 1313 CB LEU A 364 11.229 51.822 27.236 1.00 38.17 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1314 ATOM 1314 CG LEU A 364 9.760 52.103 26.948 1.00 38.54 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1315 ATOM 1315 CD1 LEU A 364 9.537 52.210 25.449 1.00 37.40 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1316 ATOM 1316 CD2 LEU A 364 8.924 50.977 27.551 1.00 38.55 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1317 ATOM 1317 H LEU A 364 13.654 51.741 27.465 1.00 38.67 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1318 ATOM 1318 N ALA A 365 11.615 55.135 26.429 1.00 35.65 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1319 ATOM 1319 CA ALA A 365 11.422 56.505 26.843 1.00 34.30 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1320 ATOM 1320 C ALA A 365 10.733 57.208 25.700 1.00 34.10 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1321 ATOM 1321 O ALA A 365 10.844 56.776 24.557 1.00 36.19 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1322 ATOM 1322 CB ALA A 365 12.791 57.166 27.124 1.00 33.56 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1323 ATOM 1323 H ALA A 365 11.434 54.990 25.601 1.00 35.65 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1324 ATOM 1324 N ALA A 366 10.040 58.300 26.000 1.00 34.26 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1325 ATOM 1325 CA ALA A 366 9.325 59.040 24.973 1.00 34.08 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1326 ATOM 1326 C ALA A 366 10.237 59.477 23.836 1.00 33.21 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1327 ATOM 1327 O ALA A 366 9.844 59.404 22.679 1.00 35.25 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1328 ATOM 1328 CB ALA A 366 8.593 60.242 25.586 1.00 32.83 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1329 ATOM 1329 H ALA A 366 9.972 58.628 26.792 1.00 34.26 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1330 ATOM 1330 N ARG A 367 11.461 59.896 24.146 1.00 32.88 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1331 ATOM 1331 CA ARG A 367 12.404 60.317 23.092 1.00 33.52 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1332 ATOM 1332 C ARG A 367 12.667 59.186 22.086 1.00 34.17 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1333 ATOM 1333 O ARG A 367 13.162 59.424 20.976 1.00 35.27 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1334 ATOM 1334 CB ARG A 367 13.749 60.761 23.695 1.00 33.85 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1335 ATOM 1335 CG ARG A 367 14.421 59.701 24.592 1.00 33.01 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1336 ATOM 1336 CD ARG A 367 15.780 60.166 25.163 1.00 32.75 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1337 ATOM 1337 NE ARG A 367 16.356 59.116 25.996 1.00 27.65 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1338 ATOM 1338 CZ ARG A 367 15.959 58.838 27.229 1.00 31.81 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1339 ATOM 1339 NH1 ARG A 367 14.996 59.548 27.811 1.00 30.03 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1340 ATOM 1340 NH2 ARG A 367 16.476 57.792 27.864 1.00 32.16 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1341 ATOM 1341 H ARG A 367 11.769 59.946 24.947 1.00 32.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1342 ATOM 1342 HE ARG A 367 16.996 58.646 25.665 1.00 27.65 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1343 ATOM 1343 HH11 ARG A 367 14.623 60.196 27.386 1.00 30.03 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1344 ATOM 1344 HH12 ARG A 367 14.746 59.359 28.612 1.00 30.03 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1345 ATOM 1345 HH21 ARG A 367 17.064 57.300 27.475 1.00 32.16 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1346 ATOM 1346 HH22 ARG A 367 16.222 57.606 28.665 1.00 32.16 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1347 ATOM 1347 N ASN A 368 12.342 57.959 22.475 1.00 32.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1348 ATOM 1348 CA ASN A 368 12.547 56.829 21.596 1.00 34.79 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1349 ATOM 1349 C ASN A 368 11.277 56.350 20.877 1.00 36.41 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1350 ATOM 1350 O ASN A 368 11.293 55.324 20.193 1.00 37.99 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1351 ATOM 1351 CB ASN A 368 13.193 55.671 22.367 1.00 34.04 0.137 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1352 ATOM 1352 CG ASN A 368 14.692 55.747 22.346 1.00 37.82 0.217 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1353 ATOM 1353 OD1 ASN A 368 15.288 56.008 21.303 1.00 37.83 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1354 ATOM 1354 ND2 ASN A 368 15.321 55.514 23.494 1.00 40.51 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1355 ATOM 1355 H ASN A 368 12.003 57.765 23.241 1.00 32.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1356 ATOM 1356 1HD2 ASN A 368 16.180 55.543 23.527 1.00 40.51 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1357 ATOM 1357 2HD2 ASN A 368 14.869 55.335 24.203 1.00 40.51 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1358 ATOM 1358 N CYS A 369 10.179 57.084 21.025 1.00 35.27 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1359 ATOM 1359 CA CYS A 369 8.952 56.712 20.330 1.00 32.73 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1360 ATOM 1360 C CYS A 369 8.716 57.699 19.195 1.00 33.81 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1361 ATOM 1361 O CYS A 369 9.231 58.815 19.213 1.00 35.91 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1362 ATOM 1362 CB CYS A 369 7.768 56.692 21.294 1.00 30.11 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1363 ATOM 1363 SG CYS A 369 7.931 55.445 22.563 1.00 35.10 -0.180 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1364 ATOM 1364 H CYS A 369 10.123 57.789 21.514 1.00 35.27 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1365 ATOM 1365 HG CYS A 369 6.974 55.482 23.286 1.00 35.10 0.101 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1366 ATOM 1366 N LEU A 370 7.954 57.277 18.195 1.00 34.02 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1367 ATOM 1367 CA LEU A 370 7.668 58.112 17.035 1.00 35.23 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1368 ATOM 1368 C LEU A 370 6.153 58.273 16.856 1.00 36.15 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1369 ATOM 1369 O LEU A 370 5.377 57.389 17.225 1.00 35.02 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1370 ATOM 1370 CB LEU A 370 8.277 57.460 15.787 1.00 36.89 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1371 ATOM 1371 CG LEU A 370 9.580 57.961 15.148 1.00 37.40 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1372 ATOM 1372 CD1 LEU A 370 10.410 58.732 16.127 1.00 37.51 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1373 ATOM 1373 CD2 LEU A 370 10.336 56.760 14.593 1.00 37.93 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1374 ATOM 1374 H LEU A 370 7.588 56.499 18.169 1.00 34.02 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1375 ATOM 1375 N VAL A 371 5.726 59.393 16.291 1.00 35.81 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1376 ATOM 1376 CA VAL A 371 4.296 59.602 16.108 1.00 39.58 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1377 ATOM 1377 C VAL A 371 3.952 59.767 14.647 1.00 41.22 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1378 ATOM 1378 O VAL A 371 4.628 60.494 13.924 1.00 39.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1379 ATOM 1379 CB VAL A 371 3.793 60.858 16.858 1.00 39.91 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1380 ATOM 1380 CG1 VAL A 371 2.272 60.890 16.838 1.00 40.98 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1381 ATOM 1381 CG2 VAL A 371 4.296 60.857 18.284 1.00 37.98 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1382 ATOM 1382 H VAL A 371 6.232 60.030 16.012 1.00 35.81 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1383 ATOM 1383 N GLY A 372 2.902 59.078 14.214 1.00 43.50 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1384 ATOM 1384 CA GLY A 372 2.480 59.182 12.830 1.00 46.41 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1385 ATOM 1385 C GLY A 372 1.138 59.891 12.702 1.00 49.26 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1386 ATOM 1386 O GLY A 372 0.715 60.643 13.596 1.00 48.65 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1387 ATOM 1387 H GLY A 372 2.427 58.552 14.701 1.00 43.50 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1388 ATOM 1388 N GLU A 373 0.464 59.652 11.583 1.00 50.54 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1389 ATOM 1389 CA GLU A 373 -0.834 60.253 11.329 1.00 50.97 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1390 ATOM 1390 C GLU A 373 -1.863 59.557 12.222 1.00 48.97 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1391 ATOM 1391 O GLU A 373 -1.746 58.370 12.511 1.00 47.94 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1392 ATOM 1392 CB GLU A 373 -1.209 60.075 9.853 1.00 54.63 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1393 ATOM 1393 CG GLU A 373 -1.876 61.286 9.211 1.00 59.92 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1394 ATOM 1394 CD GLU A 373 -0.885 62.377 8.830 1.00 63.03 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1395 ATOM 1395 OE1 GLU A 373 0.112 62.058 8.139 1.00 64.24 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1396 ATOM 1396 OE2 GLU A 373 -1.106 63.551 9.213 1.00 64.39 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1397 ATOM 1397 H GLU A 373 0.747 59.139 10.953 1.00 50.54 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1398 ATOM 1398 N ASN A 374 -2.855 60.313 12.681 1.00 47.87 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1399 ATOM 1399 CA ASN A 374 -3.910 59.769 13.527 1.00 45.63 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1400 ATOM 1400 C ASN A 374 -3.409 59.278 14.888 1.00 44.69 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1401 ATOM 1401 O ASN A 374 -3.914 58.303 15.436 1.00 42.13 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1402 ATOM 1402 CB ASN A 374 -4.632 58.637 12.783 1.00 47.80 0.137 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1403 ATOM 1403 CG ASN A 374 -5.156 59.077 11.427 1.00 51.89 0.217 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1404 ATOM 1404 OD1 ASN A 374 -5.983 59.994 11.334 1.00 54.28 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1405 ATOM 1405 ND2 ASN A 374 -4.671 58.434 10.364 1.00 52.46 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1406 ATOM 1406 H ASN A 374 -2.935 61.152 12.511 1.00 47.87 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1407 ATOM 1407 1HD2 ASN A 374 -4.932 58.652 9.574 1.00 52.46 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1408 ATOM 1408 2HD2 ASN A 374 -4.097 57.802 10.469 1.00 52.46 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1409 ATOM 1409 N HIS A 375 -2.416 59.972 15.431 1.00 43.89 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1410 ATOM 1410 CA HIS A 375 -1.854 59.632 16.724 1.00 42.49 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1411 ATOM 1411 C HIS A 375 -1.367 58.200 16.798 1.00 40.88 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1412 ATOM 1412 O HIS A 375 -1.477 57.547 17.835 1.00 40.41 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1413 ATOM 1413 CB HIS A 375 -2.885 59.904 17.821 1.00 45.55 0.095 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1414 ATOM 1414 CG HIS A 375 -3.482 61.271 17.739 1.00 48.42 0.053 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1415 ATOM 1415 ND1 HIS A 375 -4.844 61.487 17.688 1.00 50.60 -0.247 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1416 ATOM 1416 CD2 HIS A 375 -2.903 62.488 17.645 1.00 48.59 0.116 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1417 ATOM 1417 CE1 HIS A 375 -5.074 62.782 17.563 1.00 49.12 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1418 ATOM 1418 NE2 HIS A 375 -3.913 63.410 17.534 1.00 50.35 -0.359 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1419 ATOM 1419 H HIS A 375 -2.050 60.654 15.057 1.00 43.89 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1420 ATOM 1420 HE2 HIS A 375 -3.807 64.260 17.458 1.00 50.35 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1421 ATOM 1421 N LEU A 376 -0.838 57.716 15.681 1.00 39.80 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1422 ATOM 1422 CA LEU A 376 -0.273 56.376 15.613 1.00 37.35 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1423 ATOM 1423 C LEU A 376 1.092 56.536 16.291 1.00 36.56 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1424 ATOM 1424 O LEU A 376 1.857 57.432 15.947 1.00 34.57 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1425 ATOM 1425 CB LEU A 376 -0.051 55.976 14.160 1.00 37.39 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1426 ATOM 1426 CG LEU A 376 0.025 54.514 13.720 1.00 40.18 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1427 ATOM 1427 CD1 LEU A 376 1.030 54.444 12.573 1.00 38.61 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1428 ATOM 1428 CD2 LEU A 376 0.418 53.584 14.857 1.00 37.67 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1429 ATOM 1429 H LEU A 376 -0.797 58.155 14.942 1.00 39.80 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1430 ATOM 1430 N VAL A 377 1.405 55.669 17.241 1.00 37.21 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1431 ATOM 1431 CA VAL A 377 2.678 55.757 17.939 1.00 36.73 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1432 ATOM 1432 C VAL A 377 3.476 54.475 17.819 1.00 38.54 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1433 ATOM 1433 O VAL A 377 2.931 53.390 17.984 1.00 42.29 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1434 ATOM 1434 CB VAL A 377 2.465 56.054 19.431 1.00 33.85 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1435 ATOM 1435 CG1 VAL A 377 3.777 56.026 20.147 1.00 35.74 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1436 ATOM 1436 CG2 VAL A 377 1.805 57.410 19.599 1.00 33.03 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1437 ATOM 1437 H VAL A 377 0.897 55.024 17.497 1.00 37.21 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1438 ATOM 1438 N LYS A 378 4.768 54.596 17.536 1.00 37.88 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1439 ATOM 1439 CA LYS A 378 5.612 53.422 17.424 1.00 38.39 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1440 ATOM 1440 C LYS A 378 6.868 53.546 18.262 1.00 38.77 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1441 ATOM 1441 O LYS A 378 7.471 54.618 18.355 1.00 36.49 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1442 ATOM 1442 CB LYS A 378 6.006 53.156 15.963 1.00 41.59 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1443 ATOM 1443 CG LYS A 378 4.978 52.362 15.162 1.00 45.15 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1444 ATOM 1444 CD LYS A 378 4.222 53.232 14.187 1.00 48.30 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1445 ATOM 1445 CE LYS A 378 4.546 52.870 12.737 1.00 50.37 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1446 ATOM 1446 NZ LYS A 378 4.006 51.555 12.295 1.00 50.15 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1447 ATOM 1447 H LYS A 378 5.170 55.345 17.407 1.00 37.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1448 ATOM 1448 HZ1 LYS A 378 4.669 51.053 11.977 1.00 50.15 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1449 ATOM 1449 HZ2 LYS A 378 3.627 51.142 12.986 1.00 50.15 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1450 ATOM 1450 HZ3 LYS A 378 3.398 51.683 11.657 1.00 50.15 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1451 ATOM 1451 N VAL A 379 7.249 52.431 18.874 1.00 38.35 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1452 ATOM 1452 CA VAL A 379 8.455 52.355 19.692 1.00 36.27 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1453 ATOM 1453 C VAL A 379 9.640 52.112 18.762 1.00 36.46 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1454 ATOM 1454 O VAL A 379 9.527 51.373 17.792 1.00 34.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1455 ATOM 1455 CB VAL A 379 8.372 51.183 20.687 1.00 36.73 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1456 ATOM 1456 CG1 VAL A 379 9.686 51.005 21.398 1.00 33.28 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1457 ATOM 1457 CG2 VAL A 379 7.256 51.431 21.683 1.00 34.17 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1458 ATOM 1458 H VAL A 379 6.812 51.692 18.826 1.00 38.35 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1459 ATOM 1459 N ALA A 380 10.765 52.749 19.059 1.00 35.73 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1460 ATOM 1460 CA ALA A 380 11.974 52.592 18.273 1.00 34.60 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1461 ATOM 1461 C ALA A 380 13.143 52.585 19.236 1.00 37.83 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1462 ATOM 1462 O ALA A 380 12.970 52.437 20.450 1.00 35.65 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1463 ATOM 1463 CB ALA A 380 12.127 53.743 17.292 1.00 31.94 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1464 ATOM 1464 H ALA A 380 10.846 53.286 19.726 1.00 35.73 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1465 ATOM 1465 N ASP A 381 14.343 52.734 18.689 1.00 39.49 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1466 ATOM 1466 CA ASP A 381 15.545 52.773 19.508 1.00 40.35 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1467 ATOM 1467 C ASP A 381 16.592 53.481 18.666 1.00 41.23 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1468 ATOM 1468 O ASP A 381 17.165 52.896 17.732 1.00 39.40 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1469 ATOM 1469 CB ASP A 381 16.010 51.366 19.874 1.00 40.65 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1470 ATOM 1470 CG ASP A 381 17.181 51.388 20.834 1.00 43.89 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1471 ATOM 1471 OD1 ASP A 381 17.729 52.482 21.061 1.00 43.73 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1472 ATOM 1472 OD2 ASP A 381 17.562 50.324 21.360 1.00 46.93 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1473 ATOM 1473 H ASP A 381 14.482 52.814 17.844 1.00 39.49 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1474 ATOM 1474 N PHE A 382 16.840 54.741 19.005 1.00 40.97 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1475 ATOM 1475 CA PHE A 382 17.776 55.551 18.245 1.00 42.46 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1476 ATOM 1476 C PHE A 382 19.220 55.531 18.707 1.00 41.60 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1477 ATOM 1477 O PHE A 382 20.037 56.241 18.144 1.00 39.21 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1478 ATOM 1478 CB PHE A 382 17.261 56.990 18.204 1.00 44.10 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1479 ATOM 1479 CG PHE A 382 15.819 57.098 17.807 1.00 43.76 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1480 ATOM 1480 CD1 PHE A 382 14.939 57.874 18.545 1.00 44.44 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1481 ATOM 1481 CD2 PHE A 382 15.336 56.417 16.694 1.00 45.32 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1482 ATOM 1482 CE1 PHE A 382 13.599 57.971 18.182 1.00 46.00 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1483 ATOM 1483 CE2 PHE A 382 13.995 56.509 16.325 1.00 44.21 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1484 ATOM 1484 CZ PHE A 382 13.132 57.287 17.070 1.00 44.59 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1485 ATOM 1485 H PHE A 382 16.476 55.144 19.672 1.00 40.97 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1486 ATOM 1486 N GLY A 383 19.534 54.721 19.715 1.00 44.07 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1487 ATOM 1487 CA GLY A 383 20.902 54.653 20.208 1.00 47.90 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1488 ATOM 1488 C GLY A 383 21.370 56.046 20.563 1.00 52.26 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1489 ATOM 1489 O GLY A 383 22.436 56.486 20.131 1.00 53.75 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1490 ATOM 1490 H GLY A 383 18.975 54.209 20.122 1.00 44.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1491 ATOM 1491 N LEU A 384 20.553 56.734 21.357 1.00 56.57 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1492 ATOM 1492 CA LEU A 384 20.802 58.108 21.783 1.00 61.24 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1493 ATOM 1493 C LEU A 384 21.833 58.337 22.891 1.00 64.66 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1494 ATOM 1494 O LEU A 384 22.269 59.475 23.098 1.00 65.52 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1495 ATOM 1495 CB LEU A 384 19.476 58.754 22.194 1.00 60.67 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1496 ATOM 1496 CG LEU A 384 18.437 58.906 21.081 1.00 61.24 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1497 ATOM 1497 CD1 LEU A 384 17.142 59.480 21.653 1.00 58.65 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1498 ATOM 1498 CD2 LEU A 384 19.001 59.810 19.983 1.00 58.61 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1499 ATOM 1499 H LEU A 384 19.822 56.407 21.670 1.00 56.57 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1500 ATOM 1500 N SER A 385 22.223 57.283 23.603 1.00 68.52 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1501 ATOM 1501 CA SER A 385 23.204 57.427 24.678 1.00 72.99 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1502 ATOM 1502 C SER A 385 24.449 58.146 24.166 1.00 76.49 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1503 ATOM 1503 O SER A 385 25.232 58.686 24.944 1.00 76.13 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1504 ATOM 1504 CB SER A 385 23.594 56.058 25.246 1.00 72.52 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1505 ATOM 1505 OG SER A 385 24.290 55.286 24.282 1.00 73.65 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1506 ATOM 1506 H SER A 385 21.935 56.482 23.482 1.00 68.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1507 ATOM 1507 HG SER A 385 24.495 54.542 24.614 1.00 73.65 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1508 ATOM 1508 N ARG A 386 24.617 58.154 22.848 1.00 81.95 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1509 ATOM 1509 CA ARG A 386 25.756 58.809 22.209 1.00 86.95 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1510 ATOM 1510 C ARG A 386 25.453 60.282 21.943 1.00 89.31 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1511 ATOM 1511 O ARG A 386 26.325 61.140 22.092 1.00 90.48 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1512 ATOM 1512 CB ARG A 386 26.082 58.099 20.894 1.00 88.14 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1513 ATOM 1513 CG ARG A 386 26.255 56.594 21.051 1.00 91.17 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1514 ATOM 1514 CD ARG A 386 26.266 55.880 19.707 1.00 92.73 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1515 ATOM 1515 NE ARG A 386 27.379 56.305 18.858 1.00 94.72 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1516 ATOM 1516 CZ ARG A 386 27.576 55.879 17.612 1.00 95.52 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1517 ATOM 1517 NH1 ARG A 386 26.736 55.016 17.060 1.00 96.34 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1518 ATOM 1518 NH2 ARG A 386 28.614 56.317 16.912 1.00 95.81 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1519 ATOM 1519 H ARG A 386 24.073 57.779 22.297 1.00 81.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1520 ATOM 1520 HE ARG A 386 27.943 56.866 19.185 1.00 94.72 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1521 ATOM 1521 HH11 ARG A 386 26.060 54.728 17.507 1.00 96.34 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1522 ATOM 1522 HH12 ARG A 386 26.867 54.743 16.255 1.00 96.34 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1523 ATOM 1523 HH21 ARG A 386 29.163 56.878 17.263 1.00 95.81 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1524 ATOM 1524 HH22 ARG A 386 28.738 56.040 16.107 1.00 95.81 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1525 ATOM 1525 N LEU A 387 24.210 60.567 21.558 1.00 91.70 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1526 ATOM 1526 CA LEU A 387 23.764 61.930 21.255 1.00 93.47 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1527 ATOM 1527 C LEU A 387 23.756 62.834 22.484 1.00 94.67 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1528 ATOM 1528 O LEU A 387 24.254 63.960 22.434 1.00 95.92 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1529 ATOM 1529 CB LEU A 387 22.370 61.891 20.633 1.00 92.86 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1530 ATOM 1530 H LEU A 387 23.596 59.972 21.464 1.00 91.70 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1531 ATOM 1531 N MET A 388 23.187 62.337 23.579 1.00 95.72 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1532 ATOM 1532 CA MET A 388 23.105 63.098 24.819 1.00 96.06 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1533 ATOM 1533 C MET A 388 24.163 64.185 24.953 1.00 96.05 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1534 ATOM 1534 O MET A 388 25.326 63.926 25.301 1.00 96.63 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1535 ATOM 1535 CB MET A 388 23.172 62.162 26.027 1.00 96.13 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1536 ATOM 1536 H MET A 388 22.839 61.552 23.623 1.00 95.72 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1537 ATOM 1537 N THR A 389 23.738 65.406 24.644 1.00 95.32 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1538 ATOM 1538 CA THR A 389 24.587 66.576 24.763 1.00 94.09 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1539 ATOM 1539 C THR A 389 24.110 67.269 26.039 1.00 92.92 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1540 ATOM 1540 O THR A 389 24.459 68.417 26.300 1.00 94.09 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1541 ATOM 1541 CB THR A 389 24.409 67.499 23.541 1.00 94.41 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1542 ATOM 1542 H THR A 389 22.945 65.576 24.358 1.00 95.32 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1543 ATOM 1543 N GLY A 390 23.321 66.563 26.843 1.00 90.93 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1544 ATOM 1544 CA GLY A 390 22.815 67.127 28.088 1.00 87.71 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1545 ATOM 1545 C GLY A 390 22.852 66.225 29.315 1.00 86.02 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1546 ATOM 1546 O GLY A 390 23.755 65.401 29.507 1.00 86.40 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1547 ATOM 1547 H GLY A 390 23.068 65.756 26.685 1.00 90.93 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1548 ATOM 1548 N ASP A 391 21.837 66.383 30.153 1.00 83.61 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1549 ATOM 1549 CA ASP A 391 21.723 65.628 31.388 1.00 80.62 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1550 ATOM 1550 C ASP A 391 20.938 64.324 31.288 1.00 78.69 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1551 ATOM 1551 O ASP A 391 20.859 63.594 32.268 1.00 77.38 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1552 ATOM 1552 CB ASP A 391 21.127 66.524 32.454 1.00 81.02 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1553 ATOM 1553 H ASP A 391 21.191 66.935 30.019 1.00 83.61 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1554 ATOM 1554 N THR A 392 20.392 64.012 30.112 1.00 76.36 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1555 ATOM 1555 CA THR A 392 19.604 62.779 29.905 1.00 74.33 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1556 ATOM 1556 C THR A 392 20.311 61.433 30.218 1.00 73.10 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1557 ATOM 1557 O THR A 392 19.774 60.588 30.954 1.00 72.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1558 ATOM 1558 CB THR A 392 19.078 62.726 28.472 1.00 74.73 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1559 ATOM 1559 OG1 THR A 392 18.330 63.904 28.195 1.00 75.16 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1560 ATOM 1560 CG2 THR A 392 18.180 61.524 28.297 1.00 73.64 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1561 ATOM 1561 H THR A 392 20.464 64.503 29.410 1.00 76.36 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1562 ATOM 1562 HG1 THR A 392 18.042 63.875 27.406 1.00 75.16 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1563 ATOM 1563 N TYR A 393 21.502 61.246 29.664 1.00 71.77 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1564 ATOM 1564 CA TYR A 393 22.279 60.028 29.881 1.00 72.54 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1565 ATOM 1565 C TYR A 393 23.558 60.290 30.677 1.00 74.27 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1566 ATOM 1566 O TYR A 393 24.576 60.702 30.121 1.00 74.98 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1567 ATOM 1567 CB TYR A 393 22.662 59.393 28.543 1.00 70.04 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1568 ATOM 1568 CG TYR A 393 21.509 58.872 27.718 1.00 68.94 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1569 ATOM 1569 CD1 TYR A 393 20.769 59.729 26.912 1.00 66.99 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1570 ATOM 1570 CD2 TYR A 393 21.166 57.513 27.730 1.00 67.52 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1571 ATOM 1571 CE1 TYR A 393 19.725 59.256 26.133 1.00 66.30 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1572 ATOM 1572 CE2 TYR A 393 20.111 57.026 26.950 1.00 65.85 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1573 ATOM 1573 CZ TYR A 393 19.396 57.907 26.155 1.00 65.86 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1574 ATOM 1574 OH TYR A 393 18.355 57.446 25.379 1.00 62.52 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1575 ATOM 1575 H TYR A 393 21.885 61.821 29.151 1.00 71.77 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1576 ATOM 1576 HH TYR A 393 18.465 56.629 25.219 1.00 62.52 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1577 ATOM 1577 N THR A 394 23.514 60.030 31.976 1.00 76.36 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1578 ATOM 1578 CA THR A 394 24.688 60.221 32.810 1.00 77.96 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1579 ATOM 1579 C THR A 394 25.631 59.032 32.605 1.00 79.57 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1580 ATOM 1580 O THR A 394 25.209 57.875 32.613 1.00 78.78 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1581 ATOM 1581 CB THR A 394 24.278 60.343 34.276 1.00 77.31 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1582 ATOM 1582 H THR A 394 22.818 59.744 32.392 1.00 76.36 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1583 ATOM 1583 N ALA A 395 26.910 59.326 32.415 1.00 81.25 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1584 ATOM 1584 CA ALA A 395 27.904 58.287 32.188 1.00 83.22 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1585 ATOM 1585 C ALA A 395 28.063 57.289 33.336 1.00 84.70 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1586 ATOM 1586 O ALA A 395 27.913 57.630 34.513 1.00 84.31 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1587 ATOM 1587 CB ALA A 395 29.256 58.924 31.879 1.00 84.26 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1588 ATOM 1588 H ALA A 395 27.225 60.126 32.414 1.00 81.25 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1589 ATOM 1589 N HIS A 396 28.364 56.047 32.962 1.00 86.37 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1590 ATOM 1590 CA HIS A 396 28.599 54.955 33.901 1.00 87.58 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1591 ATOM 1591 C HIS A 396 29.519 53.936 33.231 1.00 88.25 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1592 ATOM 1592 O HIS A 396 29.058 53.033 32.530 1.00 89.52 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1593 ATOM 1593 CB HIS A 396 27.290 54.269 34.310 1.00 88.40 0.093 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1594 ATOM 1594 CG HIS A 396 27.493 52.988 35.063 1.00 89.99 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1595 ATOM 1595 ND1 HIS A 396 28.098 51.882 34.502 1.00 90.16 -0.353 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1596 ATOM 1596 CD2 HIS A 396 27.192 52.642 36.338 1.00 90.68 0.143 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1597 ATOM 1597 CE1 HIS A 396 28.163 50.913 35.395 1.00 90.56 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1598 ATOM 1598 NE2 HIS A 396 27.620 51.348 36.520 1.00 91.14 -0.254 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1599 ATOM 1599 H HIS A 396 28.439 55.812 32.138 1.00 86.37 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1600 ATOM 1600 HD1 HIS A 396 28.388 51.832 33.694 1.00 90.16 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1601 ATOM 1601 N ALA A 397 30.822 54.102 33.426 1.00 87.53 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1602 ATOM 1602 CA ALA A 397 31.806 53.182 32.860 1.00 87.37 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1603 ATOM 1603 C ALA A 397 31.687 52.957 31.347 1.00 87.23 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1604 ATOM 1604 O ALA A 397 31.211 51.910 30.900 1.00 87.85 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1605 ATOM 1605 CB ALA A 397 31.718 51.851 33.587 1.00 86.58 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1606 ATOM 1606 H ALA A 397 31.160 54.745 33.886 1.00 87.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1607 ATOM 1607 N GLY A 398 32.135 53.938 30.564 1.00 86.52 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1608 ATOM 1608 CA GLY A 398 32.076 53.828 29.115 1.00 84.26 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1609 ATOM 1609 C GLY A 398 30.673 53.589 28.581 1.00 82.65 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1610 ATOM 1610 O GLY A 398 30.470 53.499 27.365 1.00 82.52 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1611 ATOM 1611 H GLY A 398 32.475 54.672 30.855 1.00 86.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1612 ATOM 1612 N ALA A 399 29.709 53.491 29.496 1.00 79.83 -0.347 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1613 ATOM 1613 CA ALA A 399 28.316 53.260 29.141 1.00 76.64 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1614 ATOM 1614 C ALA A 399 27.411 54.316 29.769 1.00 74.50 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1615 ATOM 1615 O ALA A 399 27.336 54.440 30.992 1.00 74.02 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1616 ATOM 1616 CB ALA A 399 27.889 51.872 29.596 1.00 75.86 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1617 ATOM 1617 H ALA A 399 29.848 53.557 30.342 1.00 79.83 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1618 ATOM 1618 N LYS A 400 26.730 55.078 28.921 1.00 71.66 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1619 ATOM 1619 CA LYS A 400 25.815 56.114 29.381 1.00 69.17 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1620 ATOM 1620 C LYS A 400 24.469 55.478 29.746 1.00 67.22 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1621 ATOM 1621 O LYS A 400 23.982 54.589 29.043 1.00 66.75 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1622 ATOM 1622 CB LYS A 400 25.614 57.146 28.277 1.00 69.37 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1623 ATOM 1623 CG LYS A 400 26.872 57.896 27.887 1.00 70.81 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1624 ATOM 1624 CD LYS A 400 26.981 59.216 28.630 1.00 71.99 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1625 ATOM 1625 CE LYS A 400 27.988 60.136 27.952 1.00 74.42 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1626 ATOM 1626 NZ LYS A 400 27.831 61.561 28.386 1.00 75.58 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1627 ATOM 1627 H LYS A 400 26.785 55.009 28.066 1.00 71.66 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1628 ATOM 1628 HZ1 LYS A 400 28.434 62.066 27.970 1.00 75.58 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1629 ATOM 1629 HZ2 LYS A 400 27.013 61.846 28.180 1.00 75.58 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1630 ATOM 1630 HZ3 LYS A 400 27.952 61.619 29.266 1.00 75.58 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1631 ATOM 1631 N PHE A 401 23.875 55.931 30.844 1.00 64.76 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1632 ATOM 1632 CA PHE A 401 22.592 55.407 31.293 1.00 62.54 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1633 ATOM 1633 C PHE A 401 21.609 56.527 31.621 1.00 60.89 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1634 ATOM 1634 O PHE A 401 21.968 57.516 32.264 1.00 58.88 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1635 ATOM 1635 CB PHE A 401 22.762 54.537 32.551 1.00 66.23 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1636 ATOM 1636 CG PHE A 401 23.395 53.194 32.296 1.00 69.96 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1637 ATOM 1637 CD1 PHE A 401 24.466 52.761 33.073 1.00 71.25 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1638 ATOM 1638 CD2 PHE A 401 22.915 52.356 31.289 1.00 71.48 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1639 ATOM 1639 CE1 PHE A 401 25.050 51.511 32.855 1.00 72.71 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1640 ATOM 1640 CE2 PHE A 401 23.492 51.101 31.061 1.00 71.92 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1641 ATOM 1641 CZ PHE A 401 24.562 50.680 31.846 1.00 72.53 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1642 ATOM 1642 H PHE A 401 24.202 56.547 31.347 1.00 64.76 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1643 ATOM 1643 N PRO A 402 20.353 56.394 31.158 1.00 58.56 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1644 ATOM 1644 CA PRO A 402 19.349 57.422 31.449 1.00 55.61 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1645 ATOM 1645 C PRO A 402 18.852 57.092 32.856 1.00 54.09 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1646 ATOM 1646 O PRO A 402 17.829 56.420 33.037 1.00 54.22 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1647 ATOM 1647 CB PRO A 402 18.296 57.180 30.372 1.00 55.93 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1648 ATOM 1648 CG PRO A 402 18.324 55.683 30.226 1.00 57.11 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1649 ATOM 1649 CD PRO A 402 19.818 55.373 30.236 1.00 58.39 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1650 ATOM 1650 N ILE A 403 19.616 57.550 33.845 1.00 51.24 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1651 ATOM 1651 CA ILE A 403 19.336 57.307 35.255 1.00 48.02 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1652 ATOM 1652 C ILE A 403 17.886 57.419 35.695 1.00 45.70 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1653 ATOM 1653 O ILE A 403 17.397 56.574 36.430 1.00 45.08 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1654 ATOM 1654 CB ILE A 403 20.185 58.246 36.154 1.00 48.96 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1655 ATOM 1655 CG1 ILE A 403 21.673 57.964 35.944 1.00 49.65 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1656 ATOM 1656 CG2 ILE A 403 19.832 58.034 37.614 1.00 45.74 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1657 ATOM 1657 CD1 ILE A 403 22.579 58.856 36.782 1.00 55.32 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1658 ATOM 1658 H ILE A 403 20.324 58.019 33.711 1.00 51.24 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1659 ATOM 1659 N LYS A 404 17.192 58.455 35.250 1.00 44.66 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1660 ATOM 1660 CA LYS A 404 15.809 58.648 35.665 1.00 43.32 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1661 ATOM 1661 C LYS A 404 14.767 57.709 35.050 1.00 42.77 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1662 ATOM 1662 O LYS A 404 13.604 57.720 35.464 1.00 40.01 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1663 ATOM 1663 CB LYS A 404 15.422 60.111 35.462 1.00 45.70 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1664 ATOM 1664 CG LYS A 404 16.187 61.046 36.406 1.00 45.32 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1665 ATOM 1665 CD LYS A 404 15.694 62.485 36.327 1.00 45.46 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1666 ATOM 1666 CE LYS A 404 16.292 63.314 37.468 1.00 46.23 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1667 ATOM 1667 NZ LYS A 404 15.779 64.714 37.521 1.00 45.48 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1668 ATOM 1668 H LYS A 404 17.497 59.053 34.713 1.00 44.66 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1669 ATOM 1669 HZ1 LYS A 404 16.242 65.177 38.123 1.00 45.48 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1670 ATOM 1670 HZ2 LYS A 404 15.869 65.094 36.721 1.00 45.48 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1671 ATOM 1671 HZ3 LYS A 404 14.919 64.707 37.750 1.00 45.48 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1672 ATOM 1672 N TRP A 405 15.193 56.901 34.073 1.00 40.71 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1673 ATOM 1673 CA TRP A 405 14.332 55.893 33.430 1.00 41.76 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1674 ATOM 1674 C TRP A 405 14.807 54.471 33.815 1.00 43.26 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1675 ATOM 1675 O TRP A 405 14.142 53.490 33.510 1.00 44.59 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1676 ATOM 1676 CB TRP A 405 14.387 56.004 31.902 1.00 36.94 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1677 ATOM 1677 CG TRP A 405 13.584 57.120 31.317 1.00 36.47 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1678 ATOM 1678 CD1 TRP A 405 12.341 57.033 30.747 1.00 35.01 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1679 ATOM 1679 CD2 TRP A 405 13.966 58.491 31.229 1.00 36.39 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1680 ATOM 1680 NE1 TRP A 405 11.930 58.263 30.307 1.00 34.21 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1681 ATOM 1681 CE2 TRP A 405 12.911 59.184 30.589 1.00 36.27 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1682 ATOM 1682 CE3 TRP A 405 15.110 59.210 31.627 1.00 38.49 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1683 ATOM 1683 CZ2 TRP A 405 12.954 60.558 30.335 1.00 34.09 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1684 ATOM 1684 CZ3 TRP A 405 15.162 60.580 31.374 1.00 36.39 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1685 ATOM 1685 CH2 TRP A 405 14.085 61.239 30.732 1.00 39.23 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1686 ATOM 1686 H TRP A 405 15.994 56.921 33.761 1.00 40.71 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1687 ATOM 1687 HE1 TRP A 405 11.182 58.432 29.918 1.00 34.21 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1688 ATOM 1688 N THR A 406 15.945 54.374 34.500 1.00 44.02 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1689 ATOM 1689 CA THR A 406 16.521 53.087 34.886 1.00 44.48 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1690 ATOM 1690 C THR A 406 16.035 52.498 36.211 1.00 45.40 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1691 ATOM 1691 O THR A 406 16.039 53.173 37.234 1.00 46.65 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1692 ATOM 1692 CB THR A 406 18.037 53.202 34.941 1.00 43.98 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1693 ATOM 1693 OG1 THR A 406 18.521 53.704 33.690 1.00 44.18 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1694 ATOM 1694 CG2 THR A 406 18.666 51.857 35.223 1.00 45.88 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1695 ATOM 1695 H THR A 406 16.406 55.054 34.754 1.00 44.02 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1696 ATOM 1696 HG1 THR A 406 18.326 54.518 33.620 1.00 44.18 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1697 ATOM 1697 N ALA A 407 15.621 51.232 36.188 1.00 45.83 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1698 ATOM 1698 CA ALA A 407 15.143 50.557 37.397 1.00 45.61 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1699 ATOM 1699 C ALA A 407 16.288 50.387 38.404 1.00 45.87 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1700 ATOM 1700 O ALA A 407 17.457 50.343 38.023 1.00 44.58 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1701 ATOM 1701 CB ALA A 407 14.560 49.204 37.050 1.00 44.43 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1702 ATOM 1702 H ALA A 407 15.609 50.744 35.480 1.00 45.83 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1703 ATOM 1703 N PRO A 408 15.960 50.291 39.699 1.00 46.33 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1704 ATOM 1704 CA PRO A 408 16.923 50.127 40.798 1.00 48.83 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1705 ATOM 1705 C PRO A 408 17.980 49.041 40.591 1.00 48.52 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1706 ATOM 1706 O PRO A 408 19.183 49.297 40.716 1.00 48.17 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1707 ATOM 1707 CB PRO A 408 16.028 49.833 41.990 1.00 49.01 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1708 ATOM 1708 CG PRO A 408 14.804 50.648 41.676 1.00 48.41 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1709 ATOM 1709 CD PRO A 408 14.582 50.348 40.220 1.00 47.37 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1710 ATOM 1710 N GLU A 409 17.525 47.833 40.267 1.00 49.64 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1711 ATOM 1711 CA GLU A 409 18.429 46.703 40.049 1.00 49.84 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1712 ATOM 1712 C GLU A 409 19.369 46.936 38.873 1.00 47.42 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1713 ATOM 1713 O GLU A 409 20.467 46.400 38.846 1.00 46.80 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1714 ATOM 1714 CB GLU A 409 17.629 45.415 39.809 1.00 51.37 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1715 ATOM 1715 CG GLU A 409 16.858 45.421 38.504 1.00 53.74 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1716 ATOM 1716 CD GLU A 409 15.459 45.999 38.641 1.00 54.93 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1717 ATOM 1717 OE1 GLU A 409 15.228 46.788 39.589 1.00 52.82 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1718 ATOM 1718 OE2 GLU A 409 14.600 45.667 37.785 1.00 53.65 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1719 ATOM 1719 H GLU A 409 16.692 47.645 40.168 1.00 49.64 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1720 ATOM 1720 N SER A 410 18.938 47.727 37.898 1.00 47.55 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1721 ATOM 1721 CA SER A 410 19.781 48.012 36.730 1.00 47.60 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1722 ATOM 1722 C SER A 410 20.874 49.006 37.096 1.00 47.93 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1723 ATOM 1723 O SER A 410 21.939 49.030 36.479 1.00 47.63 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1724 ATOM 1724 CB SER A 410 18.956 48.594 35.578 1.00 46.35 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1725 ATOM 1725 OG SER A 410 17.900 47.734 35.205 1.00 49.32 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1726 ATOM 1726 H SER A 410 18.167 48.109 37.888 1.00 47.55 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1727 ATOM 1727 HG SER A 410 18.147 46.935 35.285 1.00 49.32 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1728 ATOM 1728 N LEU A 411 20.592 49.842 38.090 1.00 48.78 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1729 ATOM 1729 CA LEU A 411 21.548 50.837 38.550 1.00 51.02 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1730 ATOM 1730 C LEU A 411 22.520 50.193 39.537 1.00 53.43 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1731 ATOM 1731 O LEU A 411 23.710 50.494 39.544 1.00 54.77 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1732 ATOM 1732 CB LEU A 411 20.818 51.997 39.237 1.00 49.36 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1733 ATOM 1733 CG LEU A 411 20.028 52.976 38.364 1.00 48.34 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1734 ATOM 1734 CD1 LEU A 411 19.245 53.918 39.248 1.00 47.67 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1735 ATOM 1735 CD2 LEU A 411 20.975 53.737 37.452 1.00 47.26 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1736 ATOM 1736 H LEU A 411 19.844 49.847 38.514 1.00 48.78 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1737 ATOM 1737 N ALA A 412 21.998 49.289 40.354 1.00 55.49 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1738 ATOM 1738 CA ALA A 412 22.794 48.613 41.363 1.00 57.59 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1739 ATOM 1739 C ALA A 412 23.637 47.467 40.819 1.00 59.42 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1740 ATOM 1740 O ALA A 412 24.864 47.551 40.783 1.00 60.43 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1741 ATOM 1741 CB ALA A 412 21.881 48.102 42.470 1.00 56.59 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1742 ATOM 1742 H ALA A 412 21.172 49.051 40.338 1.00 55.49 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1743 ATOM 1743 N TYR A 413 22.971 46.400 40.394 1.00 60.86 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1744 ATOM 1744 CA TYR A 413 23.660 45.217 39.894 1.00 62.34 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1745 ATOM 1745 C TYR A 413 23.816 45.167 38.392 1.00 60.52 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1746 ATOM 1746 O TYR A 413 24.264 44.165 37.844 1.00 59.10 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1747 ATOM 1747 CB TYR A 413 22.932 43.970 40.385 1.00 64.70 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1748 ATOM 1748 CG TYR A 413 22.503 44.093 41.827 1.00 67.37 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1749 ATOM 1749 CD1 TYR A 413 21.277 44.664 42.158 1.00 69.50 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1750 ATOM 1750 CD2 TYR A 413 23.337 43.674 42.863 1.00 69.51 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1751 ATOM 1751 CE1 TYR A 413 20.885 44.818 43.493 1.00 71.52 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1752 ATOM 1752 CE2 TYR A 413 22.958 43.822 44.203 1.00 71.93 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1753 ATOM 1753 CZ TYR A 413 21.729 44.396 44.506 1.00 73.19 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1754 ATOM 1754 OH TYR A 413 21.338 44.556 45.816 1.00 75.99 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1755 ATOM 1755 H TYR A 413 22.113 46.341 40.387 1.00 60.86 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1756 ATOM 1756 HH TYR A 413 21.937 44.260 46.325 1.00 75.99 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1757 ATOM 1757 N ASN A 414 23.443 46.247 37.722 1.00 60.65 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1758 ATOM 1758 CA ASN A 414 23.562 46.298 36.272 1.00 60.00 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1759 ATOM 1759 C ASN A 414 22.759 45.183 35.597 1.00 58.65 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1760 ATOM 1760 O ASN A 414 23.106 44.738 34.503 1.00 57.37 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1761 ATOM 1761 CB ASN A 414 25.028 46.160 35.877 1.00 62.88 0.137 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1762 ATOM 1762 CG ASN A 414 25.345 46.870 34.596 1.00 65.96 0.217 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1763 ATOM 1763 OD1 ASN A 414 25.849 47.995 34.608 1.00 68.96 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1764 ATOM 1764 ND2 ASN A 414 25.034 46.232 33.471 1.00 67.69 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1765 ATOM 1765 H ASN A 414 23.120 46.957 38.084 1.00 60.65 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1766 ATOM 1766 1HD2 ASN A 414 25.184 46.604 32.710 1.00 67.69 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1767 ATOM 1767 2HD2 ASN A 414 24.683 45.447 33.504 1.00 67.69 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1768 ATOM 1768 N LYS A 415 21.691 44.732 36.246 1.00 57.81 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1769 ATOM 1769 CA LYS A 415 20.858 43.670 35.695 1.00 58.76 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1770 ATOM 1770 C LYS A 415 19.674 44.228 34.898 1.00 58.23 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1771 ATOM 1771 O LYS A 415 18.812 44.910 35.454 1.00 58.36 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1772 ATOM 1772 CB LYS A 415 20.353 42.762 36.829 1.00 57.93 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1773 ATOM 1773 H LYS A 415 21.431 45.029 37.010 1.00 57.81 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1774 ATOM 1774 N PHE A 416 19.644 43.942 33.599 1.00 57.56 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1775 ATOM 1775 CA PHE A 416 18.559 44.395 32.731 1.00 56.77 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1776 ATOM 1776 C PHE A 416 17.645 43.251 32.321 1.00 56.05 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1777 ATOM 1777 O PHE A 416 18.092 42.253 31.749 1.00 56.34 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1778 ATOM 1778 CB PHE A 416 19.101 45.059 31.467 1.00 58.71 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1779 ATOM 1779 CG PHE A 416 19.732 46.396 31.706 1.00 61.55 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1780 ATOM 1780 CD1 PHE A 416 21.036 46.492 32.179 1.00 62.22 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1781 ATOM 1781 CD2 PHE A 416 19.014 47.567 31.472 1.00 61.11 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1782 ATOM 1782 CE1 PHE A 416 21.619 47.734 32.415 1.00 62.90 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1783 ATOM 1783 CE2 PHE A 416 19.586 48.811 31.706 1.00 61.91 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1784 ATOM 1784 CZ PHE A 416 20.892 48.896 32.179 1.00 62.12 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1785 ATOM 1785 H PHE A 416 20.249 43.482 33.197 1.00 57.56 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1786 ATOM 1786 N SER A 417 16.359 43.406 32.610 1.00 53.84 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1787 ATOM 1787 CA SER A 417 15.370 42.401 32.274 1.00 51.90 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1788 ATOM 1788 C SER A 417 14.140 43.095 31.716 1.00 52.45 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1789 ATOM 1789 O SER A 417 14.077 44.321 31.656 1.00 53.86 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1790 ATOM 1790 CB SER A 417 14.975 41.612 33.515 1.00 52.37 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1791 ATOM 1791 OG SER A 417 14.165 42.395 34.373 1.00 53.54 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1792 ATOM 1792 H SER A 417 16.038 44.098 33.007 1.00 53.84 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1793 ATOM 1793 HG SER A 417 13.956 41.944 35.050 1.00 53.54 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1794 ATOM 1794 N ILE A 418 13.152 42.307 31.319 1.00 50.93 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1795 ATOM 1795 CA ILE A 418 11.933 42.859 30.761 1.00 49.65 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1796 ATOM 1796 C ILE A 418 11.185 43.620 31.872 1.00 48.56 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1797 ATOM 1797 O ILE A 418 10.369 44.501 31.603 1.00 48.69 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1798 ATOM 1798 CB ILE A 418 11.081 41.711 30.145 1.00 49.40 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1799 ATOM 1799 CG1 ILE A 418 10.021 42.268 29.192 1.00 52.00 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1800 ATOM 1800 CG2 ILE A 418 10.441 40.896 31.246 1.00 51.57 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1801 ATOM 1801 CD1 ILE A 418 8.680 42.483 29.829 1.00 52.04 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1802 ATOM 1802 H ILE A 418 13.169 41.448 31.365 1.00 50.93 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1803 ATOM 1803 N LYS A 419 11.490 43.293 33.121 1.00 46.19 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1804 ATOM 1804 CA LYS A 419 10.863 43.959 34.254 1.00 45.31 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1805 ATOM 1805 C LYS A 419 11.485 45.340 34.458 1.00 44.11 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1806 ATOM 1806 O LYS A 419 10.880 46.197 35.095 1.00 44.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1807 ATOM 1807 CB LYS A 419 11.017 43.131 35.538 1.00 45.38 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1808 ATOM 1808 CG LYS A 419 10.186 41.853 35.572 1.00 46.69 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1809 ATOM 1809 CD LYS A 419 8.692 42.146 35.618 1.00 48.39 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1810 ATOM 1810 CE LYS A 419 7.903 40.879 35.882 1.00 48.70 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1811 ATOM 1811 NZ LYS A 419 6.436 41.106 35.882 1.00 50.77 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1812 ATOM 1812 H LYS A 419 12.060 42.685 33.335 1.00 46.19 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1813 ATOM 1813 HZ1 LYS A 419 6.027 40.406 36.248 1.00 50.77 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1814 ATOM 1814 HZ2 LYS A 419 6.249 41.838 36.352 1.00 50.77 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1815 ATOM 1815 HZ3 LYS A 419 6.152 41.211 35.045 1.00 50.77 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1816 ATOM 1816 N SER A 420 12.692 45.558 33.940 1.00 41.53 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1817 ATOM 1817 CA SER A 420 13.300 46.873 34.062 1.00 41.40 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1818 ATOM 1818 C SER A 420 12.751 47.751 32.910 1.00 41.05 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1819 ATOM 1819 O SER A 420 12.824 48.985 32.954 1.00 40.27 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1820 ATOM 1820 CB SER A 420 14.838 46.795 34.051 1.00 40.13 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1821 ATOM 1821 OG SER A 420 15.361 46.217 32.875 1.00 42.24 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1822 ATOM 1822 H SER A 420 13.163 44.971 33.524 1.00 41.53 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1823 ATOM 1823 HG SER A 420 14.744 45.834 32.452 1.00 42.24 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1824 ATOM 1824 N ASP A 421 12.187 47.102 31.890 1.00 40.19 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1825 ATOM 1825 CA ASP A 421 11.565 47.818 30.771 1.00 37.47 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1826 ATOM 1826 C ASP A 421 10.219 48.297 31.308 1.00 36.27 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1827 ATOM 1827 O ASP A 421 9.739 49.363 30.945 1.00 34.78 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1828 ATOM 1828 CB ASP A 421 11.308 46.892 29.583 1.00 35.84 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1829 ATOM 1829 CG ASP A 421 12.499 46.755 28.668 1.00 37.44 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1830 ATOM 1830 OD1 ASP A 421 13.459 47.547 28.788 1.00 39.09 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1831 ATOM 1831 OD2 ASP A 421 12.465 45.854 27.798 1.00 39.75 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1832 ATOM 1832 H ASP A 421 12.153 46.245 31.826 1.00 40.19 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1833 ATOM 1833 N VAL A 422 9.618 47.478 32.175 1.00 36.38 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1834 ATOM 1834 CA VAL A 422 8.341 47.801 32.786 1.00 37.14 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1835 ATOM 1835 C VAL A 422 8.530 49.043 33.663 1.00 38.44 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1836 ATOM 1836 O VAL A 422 7.668 49.912 33.719 1.00 40.91 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1837 ATOM 1837 CB VAL A 422 7.824 46.621 33.627 1.00 37.14 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1838 ATOM 1838 CG1 VAL A 422 6.565 47.015 34.374 1.00 38.35 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1839 ATOM 1839 CG2 VAL A 422 7.540 45.451 32.730 1.00 39.67 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1840 ATOM 1840 H VAL A 422 9.944 46.721 32.421 1.00 36.38 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1841 ATOM 1841 N TRP A 423 9.668 49.127 34.343 1.00 40.47 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1842 ATOM 1842 CA TRP A 423 9.962 50.293 35.174 1.00 39.93 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1843 ATOM 1843 C TRP A 423 10.081 51.510 34.253 1.00 39.50 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1844 ATOM 1844 O TRP A 423 9.501 52.568 34.522 1.00 40.59 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1845 ATOM 1845 CB TRP A 423 11.278 50.099 35.940 1.00 40.42 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1846 ATOM 1846 CG TRP A 423 11.685 51.317 36.739 1.00 41.41 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1847 ATOM 1847 CD1 TRP A 423 12.155 52.502 36.246 1.00 39.90 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1848 ATOM 1848 CD2 TRP A 423 11.580 51.481 38.157 1.00 42.35 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1849 ATOM 1849 NE1 TRP A 423 12.341 53.397 37.267 1.00 40.53 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1850 ATOM 1850 CE2 TRP A 423 12.001 52.805 38.451 1.00 42.39 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1851 ATOM 1851 CE3 TRP A 423 11.172 50.648 39.212 1.00 44.56 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1852 ATOM 1852 CZ2 TRP A 423 12.025 53.312 39.757 1.00 39.01 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1853 ATOM 1853 CZ3 TRP A 423 11.194 51.155 40.518 1.00 43.44 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1854 ATOM 1854 CH2 TRP A 423 11.620 52.477 40.773 1.00 42.69 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1855 ATOM 1855 H TRP A 423 10.281 48.524 34.338 1.00 40.47 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1856 ATOM 1856 HE1 TRP A 423 12.626 54.203 37.177 1.00 40.53 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1857 ATOM 1857 N ALA A 424 10.829 51.364 33.164 1.00 36.58 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1858 ATOM 1858 CA ALA A 424 10.992 52.468 32.229 1.00 36.04 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1859 ATOM 1859 C ALA A 424 9.631 52.900 31.653 1.00 37.30 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1860 ATOM 1860 O ALA A 424 9.385 54.094 31.451 1.00 36.26 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1861 ATOM 1861 CB ALA A 424 11.943 52.077 31.116 1.00 32.05 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1862 ATOM 1862 H ALA A 424 11.246 50.642 32.951 1.00 36.58 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1863 ATOM 1863 N PHE A 425 8.750 51.932 31.394 1.00 37.90 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1864 ATOM 1864 CA PHE A 425 7.416 52.231 30.860 1.00 39.16 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1865 ATOM 1865 C PHE A 425 6.642 53.118 31.863 1.00 39.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1866 ATOM 1866 O PHE A 425 5.953 54.062 31.477 1.00 39.09 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1867 ATOM 1867 CB PHE A 425 6.647 50.929 30.609 1.00 40.33 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1868 ATOM 1868 CG PHE A 425 5.265 51.134 30.061 1.00 41.22 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1869 ATOM 1869 CD1 PHE A 425 5.074 51.435 28.721 1.00 41.90 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1870 ATOM 1870 CD2 PHE A 425 4.150 51.033 30.889 1.00 41.20 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1871 ATOM 1871 CE1 PHE A 425 3.791 51.635 28.205 1.00 39.73 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1872 ATOM 1872 CE2 PHE A 425 2.869 51.233 30.382 1.00 41.07 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1873 ATOM 1873 CZ PHE A 425 2.693 51.534 29.034 1.00 39.35 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1874 ATOM 1874 H PHE A 425 8.904 51.095 31.520 1.00 37.90 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1875 ATOM 1875 N GLY A 426 6.759 52.820 33.150 1.00 38.44 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1876 ATOM 1876 CA GLY A 426 6.075 53.643 34.132 1.00 39.59 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1877 ATOM 1877 C GLY A 426 6.496 55.098 34.000 1.00 40.04 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1878 ATOM 1878 O GLY A 426 5.662 55.994 34.098 1.00 41.44 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1879 ATOM 1879 H GLY A 426 7.216 52.165 33.468 1.00 38.44 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1880 ATOM 1880 N VAL A 427 7.788 55.335 33.763 1.00 38.85 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1881 ATOM 1881 CA VAL A 427 8.305 56.687 33.627 1.00 36.20 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1882 ATOM 1882 C VAL A 427 7.823 57.286 32.321 1.00 37.95 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1883 ATOM 1883 O VAL A 427 7.549 58.484 32.248 1.00 37.46 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1884 ATOM 1884 CB VAL A 427 9.845 56.697 33.670 1.00 35.60 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1885 ATOM 1885 CG1 VAL A 427 10.381 58.116 33.544 1.00 35.28 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1886 ATOM 1886 CG2 VAL A 427 10.313 56.066 34.951 1.00 32.07 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1887 ATOM 1887 H VAL A 427 8.381 54.718 33.678 1.00 38.85 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1888 ATOM 1888 N LEU A 428 7.710 56.447 31.290 1.00 39.51 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1889 ATOM 1889 CA LEU A 428 7.229 56.891 29.981 1.00 36.86 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1890 ATOM 1890 C LEU A 428 5.777 57.356 30.135 1.00 36.72 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1891 ATOM 1891 O LEU A 428 5.360 58.348 29.521 1.00 36.08 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1892 ATOM 1892 CB LEU A 428 7.336 55.751 28.962 1.00 36.16 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1893 ATOM 1893 CG LEU A 428 6.815 55.984 27.536 1.00 38.33 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1894 ATOM 1894 CD1 LEU A 428 7.151 57.372 27.062 1.00 40.99 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1895 ATOM 1895 CD2 LEU A 428 7.416 54.950 26.599 1.00 36.03 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1896 ATOM 1896 H LEU A 428 7.908 55.611 31.329 1.00 39.51 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1897 ATOM 1897 N LEU A 429 5.011 56.644 30.959 1.00 35.68 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1898 ATOM 1898 CA LEU A 429 3.624 57.028 31.228 1.00 37.64 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1899 ATOM 1899 C LEU A 429 3.593 58.406 31.876 1.00 37.33 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1900 ATOM 1900 O LEU A 429 2.754 59.250 31.546 1.00 36.64 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1901 ATOM 1901 CB LEU A 429 2.949 56.054 32.183 1.00 38.67 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1902 ATOM 1902 CG LEU A 429 2.264 54.837 31.597 1.00 43.13 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1903 ATOM 1903 CD1 LEU A 429 1.613 54.050 32.734 1.00 43.28 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1904 ATOM 1904 CD2 LEU A 429 1.217 55.288 30.570 1.00 42.54 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1905 ATOM 1905 H LEU A 429 5.273 55.937 31.372 1.00 35.68 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1906 ATOM 1906 N TRP A 430 4.508 58.631 32.812 1.00 35.26 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1907 ATOM 1907 CA TRP A 430 4.562 59.919 33.476 1.00 36.47 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1908 ATOM 1908 C TRP A 430 4.865 61.017 32.440 1.00 35.78 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1909 ATOM 1909 O TRP A 430 4.291 62.103 32.490 1.00 37.97 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1910 ATOM 1910 CB TRP A 430 5.630 59.893 34.568 1.00 35.51 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1911 ATOM 1911 CG TRP A 430 5.591 61.047 35.484 1.00 35.55 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1912 ATOM 1912 CD1 TRP A 430 4.905 61.138 36.668 1.00 35.87 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1913 ATOM 1913 CD2 TRP A 430 6.254 62.306 35.311 1.00 36.46 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1914 ATOM 1914 NE1 TRP A 430 5.109 62.372 37.243 1.00 35.04 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1915 ATOM 1915 CE2 TRP A 430 5.937 63.106 36.428 1.00 37.25 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1916 ATOM 1916 CE3 TRP A 430 7.094 62.831 34.318 1.00 37.29 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1917 ATOM 1917 CZ2 TRP A 430 6.423 64.404 36.578 1.00 38.33 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1918 ATOM 1918 CZ3 TRP A 430 7.575 64.127 34.466 1.00 36.38 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1919 ATOM 1919 CH2 TRP A 430 7.241 64.895 35.588 1.00 37.46 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1920 ATOM 1920 H TRP A 430 5.096 58.060 33.072 1.00 35.26 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1921 ATOM 1921 HE1 TRP A 430 4.774 62.639 37.989 1.00 35.04 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1922 ATOM 1922 N GLU A 431 5.764 60.731 31.504 1.00 34.84 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1923 ATOM 1923 CA GLU A 431 6.120 61.698 30.464 1.00 35.75 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1924 ATOM 1924 C GLU A 431 4.889 62.085 29.638 1.00 36.60 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1925 ATOM 1925 O GLU A 431 4.680 63.253 29.305 1.00 36.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1926 ATOM 1926 CB GLU A 431 7.161 61.118 29.498 1.00 34.64 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1927 ATOM 1927 CG GLU A 431 8.510 60.741 30.100 1.00 35.33 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1928 ATOM 1928 CD GLU A 431 9.531 60.376 29.014 1.00 36.63 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1929 ATOM 1929 OE1 GLU A 431 10.107 61.293 28.404 1.00 33.94 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1930 ATOM 1930 OE2 GLU A 431 9.747 59.171 28.751 1.00 36.56 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1931 ATOM 1931 H GLU A 431 6.182 59.981 31.451 1.00 34.84 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1932 ATOM 1932 N ILE A 432 4.095 61.085 29.281 1.00 36.74 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1933 ATOM 1933 CA ILE A 432 2.898 61.311 28.497 1.00 35.23 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1934 ATOM 1934 C ILE A 432 1.847 62.084 29.294 1.00 36.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1935 ATOM 1935 O ILE A 432 1.254 63.031 28.776 1.00 36.28 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1936 ATOM 1936 CB ILE A 432 2.315 59.970 27.996 1.00 35.07 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1937 ATOM 1937 CG1 ILE A 432 3.257 59.378 26.931 1.00 33.42 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1938 ATOM 1938 CG2 ILE A 432 0.901 60.172 27.423 1.00 32.75 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1939 ATOM 1939 CD1 ILE A 432 2.924 57.954 26.532 1.00 32.19 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1940 ATOM 1940 H ILE A 432 4.236 60.262 29.486 1.00 36.74 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1941 ATOM 1941 N ALA A 433 1.633 61.695 30.548 1.00 36.43 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1942 ATOM 1942 CA ALA A 433 0.645 62.364 31.392 1.00 38.31 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1943 ATOM 1943 C ALA A 433 0.958 63.841 31.617 1.00 41.37 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1944 ATOM 1944 O ALA A 433 0.043 64.637 31.852 1.00 43.03 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1945 ATOM 1945 CB ALA A 433 0.529 61.651 32.734 1.00 37.04 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1946 ATOM 1946 H ALA A 433 2.049 61.046 30.930 1.00 36.43 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1947 ATOM 1947 N THR A 434 2.239 64.209 31.535 1.00 41.35 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1948 ATOM 1948 CA THR A 434 2.662 65.597 31.752 1.00 39.98 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1949 ATOM 1949 C THR A 434 2.975 66.325 30.452 1.00 40.81 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1950 ATOM 1950 O THR A 434 3.501 67.434 30.471 1.00 39.19 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1951 ATOM 1951 CB THR A 434 3.938 65.654 32.603 1.00 42.10 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1952 ATOM 1952 OG1 THR A 434 5.001 64.990 31.897 1.00 41.71 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1953 ATOM 1953 CG2 THR A 434 3.711 64.983 33.962 1.00 40.63 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1954 ATOM 1954 H THR A 434 2.882 63.667 31.354 1.00 41.35 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1955 ATOM 1955 HG1 THR A 434 4.919 64.159 31.985 1.00 41.71 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1956 ATOM 1956 N TYR A 435 2.672 65.693 29.323 1.00 40.33 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1957 ATOM 1957 CA TYR A 435 2.947 66.294 28.034 1.00 38.29 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1958 ATOM 1958 C TYR A 435 4.433 66.566 27.832 1.00 38.44 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1959 ATOM 1959 O TYR A 435 4.825 67.601 27.301 1.00 37.35 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1960 ATOM 1960 CB TYR A 435 2.133 67.578 27.864 1.00 39.70 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1961 ATOM 1961 CG TYR A 435 0.651 67.338 27.620 1.00 42.49 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1962 ATOM 1962 CD1 TYR A 435 0.158 67.116 26.330 1.00 44.25 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1963 ATOM 1963 CD2 TYR A 435 -0.257 67.326 28.674 1.00 42.42 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1964 ATOM 1964 CE1 TYR A 435 -1.200 66.892 26.101 1.00 43.34 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1965 ATOM 1965 CE2 TYR A 435 -1.620 67.105 28.454 1.00 42.77 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1966 ATOM 1966 CZ TYR A 435 -2.081 66.889 27.167 1.00 44.31 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1967 ATOM 1967 OH TYR A 435 -3.422 66.671 26.946 1.00 45.04 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1968 ATOM 1968 H TYR A 435 2.307 64.915 29.286 1.00 40.33 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1969 ATOM 1969 HH TYR A 435 -3.539 66.423 26.152 1.00 45.04 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1970 ATOM 1970 N GLY A 436 5.271 65.636 28.270 1.00 38.01 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1971 ATOM 1971 CA GLY A 436 6.696 65.810 28.046 1.00 38.62 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1972 ATOM 1972 C GLY A 436 7.600 66.509 29.040 1.00 38.24 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1973 ATOM 1973 O GLY A 436 8.638 67.026 28.644 1.00 37.14 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1974 ATOM 1974 H GLY A 436 5.044 64.919 28.686 1.00 38.01 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1975 ATOM 1975 N MET A 437 7.222 66.546 30.312 1.00 41.30 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1976 ATOM 1976 CA MET A 437 8.084 67.159 31.329 1.00 42.46 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1977 ATOM 1977 C MET A 437 9.212 66.162 31.607 1.00 40.73 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1978 ATOM 1978 O MET A 437 9.074 64.973 31.300 1.00 37.46 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1979 ATOM 1979 CB MET A 437 7.338 67.379 32.649 1.00 43.77 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1980 ATOM 1980 CG MET A 437 6.185 68.362 32.614 1.00 52.60 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1981 ATOM 1981 SD MET A 437 5.485 68.657 34.277 1.00 60.75 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1982 ATOM 1982 CE MET A 437 5.637 70.423 34.376 1.00 59.79 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1983 ATOM 1983 H MET A 437 6.481 66.227 30.609 1.00 41.30 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1984 ATOM 1984 N SER A 438 10.312 66.648 32.180 1.00 39.45 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1985 ATOM 1985 CA SER A 438 11.445 65.794 32.546 1.00 41.47 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1986 ATOM 1986 C SER A 438 11.137 65.111 33.870 1.00 40.07 0.245 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1987 ATOM 1987 O SER A 438 10.634 65.737 34.798 1.00 41.16 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1988 ATOM 1988 CB SER A 438 12.727 66.616 32.703 1.00 41.11 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1989 ATOM 1989 OG SER A 438 13.177 67.069 31.445 1.00 44.63 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1990 ATOM 1990 H SER A 438 10.424 67.480 32.368 1.00 39.45 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1991 ATOM 1991 HG SER A 438 13.879 67.519 31.544 1.00 44.63 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1992 ATOM 1992 N PRO A 439 11.454 63.817 33.982 1.00 40.82 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1993 ATOM 1993 CA PRO A 439 11.199 63.051 35.212 1.00 42.04 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1994 ATOM 1994 C PRO A 439 11.938 63.636 36.429 1.00 42.13 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1995 ATOM 1995 O PRO A 439 12.992 64.239 36.280 1.00 39.29 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1996 ATOM 1996 CB PRO A 439 11.718 61.654 34.861 1.00 40.10 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1997 ATOM 1997 CG PRO A 439 11.694 61.617 33.396 1.00 40.98 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1998 ATOM 1998 CD PRO A 439 12.151 62.985 32.997 1.00 40.18 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
1999 ATOM 1999 N TYR A 440 11.393 63.416 37.621 1.00 43.13 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2000 ATOM 2000 CA TYR A 440 11.990 63.921 38.862 1.00 44.83 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2001 ATOM 2001 C TYR A 440 12.502 65.332 38.626 1.00 44.39 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2002 ATOM 2002 O TYR A 440 13.697 65.622 38.786 1.00 43.32 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2003 ATOM 2003 CB TYR A 440 13.141 63.015 39.335 1.00 44.49 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2004 ATOM 2004 CG TYR A 440 12.770 61.551 39.422 1.00 45.72 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2005 ATOM 2005 CD1 TYR A 440 12.941 60.700 38.323 1.00 45.46 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2006 ATOM 2006 CD2 TYR A 440 12.188 61.023 40.581 1.00 44.56 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2007 ATOM 2007 CE1 TYR A 440 12.541 59.370 38.376 1.00 44.53 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2008 ATOM 2008 CE2 TYR A 440 11.782 59.693 40.640 1.00 45.33 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2009 ATOM 2009 CZ TYR A 440 11.963 58.871 39.527 1.00 45.56 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2010 ATOM 2010 OH TYR A 440 11.563 57.555 39.560 1.00 43.65 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2011 ATOM 2011 H TYR A 440 10.667 62.970 37.737 1.00 43.13 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2012 ATOM 2012 HH TYR A 440 12.056 57.099 39.055 1.00 43.65 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2013 ATOM 2013 N PRO A 441 11.590 66.237 38.241 1.00 44.90 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2014 ATOM 2014 CA PRO A 441 11.988 67.622 37.979 1.00 45.62 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2015 ATOM 2015 C PRO A 441 12.685 68.274 39.172 1.00 46.82 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2016 ATOM 2016 O PRO A 441 12.203 68.196 40.302 1.00 46.72 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2017 ATOM 2017 CB PRO A 441 10.660 68.294 37.609 1.00 44.67 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2018 ATOM 2018 CG PRO A 441 9.647 67.503 38.357 1.00 43.12 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2019 ATOM 2019 CD PRO A 441 10.127 66.082 38.224 1.00 42.18 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2020 ATOM 2020 N GLY A 442 13.835 68.889 38.917 1.00 47.56 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2021 ATOM 2021 CA GLY A 442 14.572 69.559 39.971 1.00 48.83 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2022 ATOM 2022 C GLY A 442 15.542 68.711 40.773 1.00 50.23 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2023 ATOM 2023 O GLY A 442 16.557 69.209 41.250 1.00 50.97 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2024 ATOM 2024 H GLY A 442 14.202 68.928 38.140 1.00 47.56 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2025 ATOM 2025 N ILE A 443 15.246 67.430 40.917 1.00 50.76 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2026 ATOM 2026 CA ILE A 443 16.095 66.540 41.697 1.00 53.20 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2027 ATOM 2027 C ILE A 443 17.368 66.145 40.951 1.00 55.13 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2028 ATOM 2028 O ILE A 443 17.324 65.806 39.769 1.00 53.18 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2029 ATOM 2029 CB ILE A 443 15.309 65.283 42.081 1.00 54.32 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2030 ATOM 2030 CG1 ILE A 443 13.948 65.700 42.651 1.00 54.14 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2031 ATOM 2031 CG2 ILE A 443 16.092 64.456 43.088 1.00 55.25 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2032 ATOM 2032 CD1 ILE A 443 13.029 64.548 42.994 1.00 57.44 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2033 ATOM 2033 H ILE A 443 14.555 67.053 40.570 1.00 50.76 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2034 ATOM 2034 N ASP A 444 18.514 66.191 41.626 1.00 58.05 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2035 ATOM 2035 CA ASP A 444 19.754 65.818 40.946 1.00 61.07 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2036 ATOM 2036 C ASP A 444 19.940 64.302 40.891 1.00 60.64 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2037 ATOM 2037 O ASP A 444 19.597 63.576 41.829 1.00 60.56 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2038 ATOM 2038 CB ASP A 444 20.970 66.479 41.605 1.00 64.25 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2039 ATOM 2039 CG ASP A 444 21.098 66.136 43.068 1.00 67.47 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2040 ATOM 2040 OD1 ASP A 444 20.158 66.450 43.826 1.00 71.05 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2041 ATOM 2041 OD2 ASP A 444 22.133 65.555 43.462 1.00 69.11 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2042 ATOM 2042 H ASP A 444 18.597 66.426 42.449 1.00 58.05 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2043 ATOM 2043 N LEU A 445 20.476 63.843 39.767 1.00 60.44 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2044 ATOM 2044 CA LEU A 445 20.708 62.431 39.509 1.00 60.32 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2045 ATOM 2045 C LEU A 445 21.303 61.642 40.672 1.00 60.07 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2046 ATOM 2046 O LEU A 445 20.819 60.561 41.004 1.00 60.21 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2047 ATOM 2047 CB LEU A 445 21.611 62.287 38.284 1.00 61.54 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2048 ATOM 2048 CG LEU A 445 21.148 63.063 37.049 1.00 62.90 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2049 ATOM 2049 CD1 LEU A 445 22.165 62.935 35.918 1.00 61.77 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2050 ATOM 2050 CD2 LEU A 445 19.793 62.535 36.624 1.00 64.08 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2051 ATOM 2051 H LEU A 445 20.720 64.355 39.120 1.00 60.44 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2052 ATOM 2052 N SER A 446 22.350 62.178 41.289 1.00 59.46 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2053 ATOM 2053 CA SER A 446 23.023 61.509 42.398 1.00 58.00 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2054 ATOM 2054 C SER A 446 22.140 61.089 43.585 1.00 56.55 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2055 ATOM 2055 O SER A 446 22.512 60.203 44.357 1.00 54.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2056 ATOM 2056 CB SER A 446 24.186 62.380 42.884 1.00 59.08 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2057 ATOM 2057 OG SER A 446 23.794 63.735 43.008 1.00 63.65 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2058 ATOM 2058 H SER A 446 22.691 62.939 41.078 1.00 59.46 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2059 ATOM 2059 HG SER A 446 22.977 63.774 43.200 1.00 63.65 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2060 ATOM 2060 N GLN A 447 20.969 61.694 43.737 1.00 54.81 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2061 ATOM 2061 CA GLN A 447 20.106 61.307 44.848 1.00 54.40 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2062 ATOM 2062 C GLN A 447 18.866 60.500 44.428 1.00 53.92 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2063 ATOM 2063 O GLN A 447 18.041 60.125 45.265 1.00 54.14 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2064 ATOM 2064 CB GLN A 447 19.687 62.549 45.640 1.00 53.70 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2065 ATOM 2065 CG GLN A 447 20.868 63.328 46.212 1.00 54.38 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2066 ATOM 2066 CD GLN A 447 20.437 64.505 47.069 1.00 55.27 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2067 ATOM 2067 OE1 GLN A 447 19.881 64.323 48.155 1.00 53.95 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2068 ATOM 2068 NE2 GLN A 447 20.688 65.724 46.580 1.00 54.41 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2069 ATOM 2069 H GLN A 447 20.661 62.313 43.226 1.00 54.81 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2070 ATOM 2070 1HE2 GLN A 447 21.078 65.810 45.818 1.00 54.41 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2071 ATOM 2071 2HE2 GLN A 447 20.460 66.422 47.027 1.00 54.41 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2072 ATOM 2072 N VAL A 448 18.737 60.224 43.135 1.00 53.88 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2073 ATOM 2073 CA VAL A 448 17.596 59.467 42.652 1.00 52.68 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2074 ATOM 2074 C VAL A 448 17.519 58.065 43.247 1.00 54.12 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2075 ATOM 2075 O VAL A 448 16.452 57.659 43.718 1.00 53.62 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2076 ATOM 2076 CB VAL A 448 17.588 59.385 41.116 1.00 51.56 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2077 ATOM 2077 CG1 VAL A 448 16.552 58.377 40.644 1.00 50.85 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2078 ATOM 2078 CG2 VAL A 448 17.268 60.752 40.539 1.00 50.78 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2079 ATOM 2079 H VAL A 448 19.296 60.465 42.527 1.00 53.88 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2080 ATOM 2080 N TYR A 449 18.630 57.328 43.247 1.00 54.52 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2081 ATOM 2081 CA TYR A 449 18.616 55.973 43.799 1.00 56.34 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2082 ATOM 2082 C TYR A 449 18.268 55.979 45.284 1.00 56.92 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2083 ATOM 2083 O TYR A 449 17.363 55.263 45.714 1.00 58.78 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2084 ATOM 2084 CB TYR A 449 19.960 55.271 43.605 1.00 57.12 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2085 ATOM 2085 CG TYR A 449 19.891 53.789 43.927 1.00 58.74 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2086 ATOM 2086 CD1 TYR A 449 19.597 52.849 42.934 1.00 58.38 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2087 ATOM 2087 CD2 TYR A 449 20.075 53.329 45.231 1.00 59.01 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2088 ATOM 2088 CE1 TYR A 449 19.488 51.495 43.236 1.00 58.88 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2089 ATOM 2089 CE2 TYR A 449 19.961 51.976 45.544 1.00 59.44 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2090 ATOM 2090 CZ TYR A 449 19.670 51.066 44.545 1.00 60.73 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2091 ATOM 2091 OH TYR A 449 19.540 49.728 44.856 1.00 63.18 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2092 ATOM 2092 H TYR A 449 19.389 57.588 42.938 1.00 54.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2093 ATOM 2093 HH TYR A 449 18.748 49.569 45.086 1.00 63.18 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2094 ATOM 2094 N GLU A 450 18.989 56.776 46.070 1.00 56.42 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2095 ATOM 2095 CA GLU A 450 18.719 56.863 47.502 1.00 55.14 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2096 ATOM 2096 C GLU A 450 17.241 57.173 47.741 1.00 53.89 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2097 ATOM 2097 O GLU A 450 16.585 56.523 48.560 1.00 54.02 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2098 ATOM 2098 CB GLU A 450 19.596 57.949 48.138 1.00 56.08 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2099 ATOM 2099 H GLU A 450 19.636 57.272 45.795 1.00 56.42 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2100 ATOM 2100 N LEU A 451 16.719 58.173 47.034 1.00 52.71 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2101 ATOM 2101 CA LEU A 451 15.312 58.537 47.177 1.00 52.37 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2102 ATOM 2102 C LEU A 451 14.392 57.347 46.904 1.00 52.70 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2103 ATOM 2103 O LEU A 451 13.449 57.095 47.662 1.00 52.58 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2104 ATOM 2104 CB LEU A 451 14.957 59.695 46.237 1.00 50.99 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2105 ATOM 2105 CG LEU A 451 15.366 61.083 46.740 1.00 49.50 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2106 ATOM 2106 CD1 LEU A 451 15.087 62.153 45.694 1.00 49.15 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2107 ATOM 2107 CD2 LEU A 451 14.590 61.378 48.010 1.00 47.32 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2108 ATOM 2108 H LEU A 451 17.159 58.650 46.470 1.00 52.71 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2109 ATOM 2109 N LEU A 452 14.673 56.617 45.825 1.00 52.26 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2110 ATOM 2110 CA LEU A 452 13.873 55.456 45.443 1.00 53.06 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2111 ATOM 2111 C LEU A 452 13.933 54.375 46.503 1.00 54.64 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2112 ATOM 2112 O LEU A 452 12.932 53.712 46.768 1.00 55.90 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2113 ATOM 2113 CB LEU A 452 14.352 54.889 44.101 1.00 50.15 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2114 ATOM 2114 CG LEU A 452 14.150 55.821 42.901 1.00 49.97 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2115 ATOM 2115 CD1 LEU A 452 14.976 55.324 41.716 1.00 47.99 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2116 ATOM 2116 CD2 LEU A 452 12.662 55.907 42.552 1.00 45.85 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2117 ATOM 2117 H LEU A 452 15.331 56.781 45.296 1.00 52.26 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2118 ATOM 2118 N GLU A 453 15.106 54.191 47.106 1.00 57.01 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2119 ATOM 2119 CA GLU A 453 15.274 53.190 48.158 1.00 59.30 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2120 ATOM 2120 C GLU A 453 14.431 53.572 49.376 1.00 59.30 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2121 ATOM 2121 O GLU A 453 13.914 52.708 50.081 1.00 59.60 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2122 ATOM 2122 CB GLU A 453 16.736 53.097 48.580 1.00 62.99 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2123 ATOM 2123 CG GLU A 453 17.299 51.689 48.544 1.00 69.51 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2124 ATOM 2124 CD GLU A 453 18.553 51.528 49.391 1.00 73.56 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2125 ATOM 2125 OE1 GLU A 453 19.411 52.447 49.404 1.00 76.07 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2126 ATOM 2126 OE2 GLU A 453 18.685 50.468 50.039 1.00 75.71 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2127 ATOM 2127 H GLU A 453 15.818 54.636 46.920 1.00 57.01 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2128 ATOM 2128 N LYS A 454 14.309 54.873 49.626 1.00 59.92 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2129 ATOM 2129 CA LYS A 454 13.524 55.370 50.753 1.00 60.38 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2130 ATOM 2130 C LYS A 454 12.045 55.427 50.375 1.00 60.54 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2131 ATOM 2131 O LYS A 454 11.237 56.051 51.066 1.00 60.53 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2132 ATOM 2132 CB LYS A 454 14.004 56.765 51.163 1.00 62.97 0.035 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2133 ATOM 2133 CG LYS A 454 15.470 56.830 51.586 1.00 65.77 0.004 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2134 ATOM 2134 CD LYS A 454 15.706 56.128 52.917 1.00 67.86 0.027 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2135 ATOM 2135 CE LYS A 454 17.190 56.033 53.236 1.00 68.95 0.229 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2136 ATOM 2136 NZ LYS A 454 17.868 57.354 53.095 1.00 67.98 -0.079 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2137 ATOM 2137 H LYS A 454 14.676 55.489 49.151 1.00 59.92 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2138 ATOM 2138 HZ1 LYS A 454 18.517 57.421 53.700 1.00 67.98 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2139 ATOM 2139 HZ2 LYS A 454 18.216 57.424 52.279 1.00 67.98 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2140 ATOM 2140 HZ3 LYS A 454 17.276 58.007 53.222 1.00 67.98 0.274 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2141 ATOM 2141 N ASP A 455 11.705 54.783 49.261 1.00 59.64 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2142 ATOM 2142 CA ASP A 455 10.333 54.711 48.769 1.00 58.89 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2143 ATOM 2143 C ASP A 455 9.737 55.975 48.163 1.00 56.90 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2144 ATOM 2144 O ASP A 455 8.517 56.127 48.106 1.00 57.32 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2145 ATOM 2145 CB ASP A 455 9.418 54.184 49.873 1.00 61.95 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2146 ATOM 2146 CG ASP A 455 9.834 52.809 50.349 1.00 66.60 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2147 ATOM 2147 OD1 ASP A 455 9.924 51.890 49.504 1.00 68.21 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2148 ATOM 2148 OD2 ASP A 455 10.082 52.643 51.564 1.00 71.39 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2149 ATOM 2149 H ASP A 455 12.273 54.371 48.764 1.00 59.64 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2150 ATOM 2150 N TYR A 456 10.588 56.882 47.704 1.00 54.28 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2151 ATOM 2151 CA TYR A 456 10.097 58.091 47.067 1.00 52.24 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2152 ATOM 2152 C TYR A 456 9.699 57.759 45.625 1.00 52.34 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2153 ATOM 2153 O TYR A 456 10.394 57.011 44.931 1.00 51.44 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2154 ATOM 2154 CB TYR A 456 11.176 59.167 47.018 1.00 49.68 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2155 ATOM 2155 CG TYR A 456 10.705 60.411 46.301 1.00 47.77 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2156 ATOM 2156 CD1 TYR A 456 9.916 61.354 46.953 1.00 47.38 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2157 ATOM 2157 CD2 TYR A 456 11.003 60.620 44.961 1.00 46.45 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2158 ATOM 2158 CE1 TYR A 456 9.429 62.470 46.288 1.00 47.29 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2159 ATOM 2159 CE2 TYR A 456 10.523 61.745 44.281 1.00 48.27 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2160 ATOM 2160 CZ TYR A 456 9.734 62.664 44.956 1.00 48.37 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2161 ATOM 2161 OH TYR A 456 9.235 63.771 44.305 1.00 49.23 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2162 ATOM 2162 H TYR A 456 11.444 56.817 47.751 1.00 54.28 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2163 ATOM 2163 HH TYR A 456 9.496 63.768 43.506 1.00 49.23 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2164 ATOM 2164 N ARG A 457 8.591 58.332 45.173 1.00 51.05 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2165 ATOM 2165 CA ARG A 457 8.119 58.116 43.809 1.00 50.19 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2166 ATOM 2166 C ARG A 457 7.483 59.402 43.290 1.00 50.55 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2167 ATOM 2167 O ARG A 457 6.926 60.180 44.069 1.00 49.96 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2168 ATOM 2168 CB ARG A 457 7.081 56.993 43.782 1.00 49.90 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2169 ATOM 2169 CG ARG A 457 7.613 55.626 44.180 1.00 50.60 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2170 ATOM 2170 CD ARG A 457 8.615 55.088 43.175 1.00 49.23 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2171 ATOM 2171 NE ARG A 457 8.944 53.691 43.460 1.00 50.56 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2172 ATOM 2172 CZ ARG A 457 9.746 53.283 44.441 1.00 49.35 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2173 ATOM 2173 NH1 ARG A 457 10.318 54.162 45.251 1.00 48.67 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2174 ATOM 2174 NH2 ARG A 457 9.973 51.987 44.615 1.00 48.72 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2175 ATOM 2175 H ARG A 457 8.094 58.853 45.643 1.00 51.05 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2176 ATOM 2176 HE ARG A 457 8.593 53.089 42.956 1.00 50.56 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2177 ATOM 2177 HH11 ARG A 457 10.172 55.003 45.145 1.00 48.67 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2178 ATOM 2178 HH12 ARG A 457 10.835 53.892 45.883 1.00 48.67 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2179 ATOM 2179 HH21 ARG A 457 9.602 51.412 44.094 1.00 48.72 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2180 ATOM 2180 HH22 ARG A 457 10.491 51.722 45.248 1.00 48.72 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2181 ATOM 2181 N MET A 458 7.557 59.639 41.983 1.00 50.41 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2182 ATOM 2182 CA MET A 458 6.945 60.841 41.433 1.00 50.66 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2183 ATOM 2183 C MET A 458 5.470 60.850 41.795 1.00 51.19 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2184 ATOM 2184 O MET A 458 4.850 59.800 41.932 1.00 50.97 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2185 ATOM 2185 CB MET A 458 7.126 60.894 39.923 1.00 49.95 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2186 ATOM 2186 CG MET A 458 8.557 61.173 39.515 1.00 50.97 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2187 ATOM 2187 SD MET A 458 8.734 61.546 37.772 1.00 50.50 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2188 ATOM 2188 CE MET A 458 8.916 59.882 37.100 1.00 49.31 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2189 ATOM 2189 H MET A 458 7.947 59.129 41.411 1.00 50.41 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2190 ATOM 2190 N GLU A 459 4.907 62.035 41.968 1.00 53.64 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2191 ATOM 2191 CA GLU A 459 3.503 62.138 42.348 1.00 57.44 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2192 ATOM 2192 C GLU A 459 2.584 62.180 41.138 1.00 57.25 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2193 ATOM 2193 O GLU A 459 3.005 62.568 40.051 1.00 57.31 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2194 ATOM 2194 CB GLU A 459 3.282 63.389 43.215 1.00 60.19 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2195 ATOM 2195 CG GLU A 459 1.906 63.454 43.887 1.00 64.63 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2196 ATOM 2196 CD GLU A 459 1.476 62.124 44.524 1.00 67.55 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2197 ATOM 2197 OE1 GLU A 459 2.252 61.541 45.322 1.00 69.53 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2198 ATOM 2198 OE2 GLU A 459 0.349 61.664 44.227 1.00 67.61 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2199 ATOM 2199 H GLU A 459 5.313 62.787 41.872 1.00 53.64 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2200 ATOM 2200 N ARG A 460 1.333 61.775 41.334 1.00 57.66 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2201 ATOM 2201 CA ARG A 460 0.348 61.780 40.257 1.00 58.46 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2202 ATOM 2202 C ARG A 460 0.365 63.132 39.563 1.00 58.08 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2203 ATOM 2203 O ARG A 460 0.213 64.164 40.199 1.00 58.91 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2204 ATOM 2204 CB ARG A 460 -1.053 61.506 40.808 1.00 59.56 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2205 ATOM 2205 CG ARG A 460 -2.121 61.333 39.735 1.00 63.06 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2206 ATOM 2206 CD ARG A 460 -3.475 60.970 40.339 1.00 64.28 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2207 ATOM 2207 NE ARG A 460 -4.001 62.061 41.152 1.00 67.37 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2208 ATOM 2208 CZ ARG A 460 -4.537 63.173 40.657 1.00 67.68 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2209 ATOM 2209 NH1 ARG A 460 -4.629 63.336 39.343 1.00 67.20 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2210 ATOM 2210 NH2 ARG A 460 -4.954 64.135 41.473 1.00 66.43 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2211 ATOM 2211 H ARG A 460 1.033 61.492 42.088 1.00 57.66 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2212 ATOM 2212 HE ARG A 460 -3.962 61.980 42.007 1.00 67.37 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2213 ATOM 2213 HH11 ARG A 460 -4.342 62.723 38.813 1.00 67.20 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2214 ATOM 2214 HH12 ARG A 460 -4.975 64.055 39.022 1.00 67.20 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2215 ATOM 2215 HH21 ARG A 460 -4.878 64.040 42.324 1.00 66.43 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2216 ATOM 2216 HH22 ARG A 460 -5.300 64.853 41.150 1.00 66.43 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2217 ATOM 2217 N PRO A 461 0.575 63.143 38.246 1.00 58.09 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2218 ATOM 2218 CA PRO A 461 0.601 64.416 37.528 1.00 59.87 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2219 ATOM 2219 C PRO A 461 -0.769 65.080 37.562 1.00 62.03 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2220 ATOM 2220 O PRO A 461 -1.778 64.423 37.830 1.00 61.03 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2221 ATOM 2221 CB PRO A 461 1.003 64.006 36.114 1.00 58.18 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2222 ATOM 2222 CG PRO A 461 1.803 62.756 36.340 1.00 56.68 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2223 ATOM 2223 CD PRO A 461 0.986 62.037 37.369 1.00 56.50 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2224 ATOM 2224 N GLU A 462 -0.804 66.380 37.290 1.00 64.36 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2225 ATOM 2225 CA GLU A 462 -2.066 67.111 37.282 1.00 65.90 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2226 ATOM 2226 C GLU A 462 -2.965 66.563 36.178 1.00 64.75 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2227 ATOM 2227 O GLU A 462 -2.556 66.479 35.024 1.00 63.50 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2228 ATOM 2228 CB GLU A 462 -1.814 68.606 37.055 1.00 68.85 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2229 ATOM 2229 CG GLU A 462 -3.083 69.447 36.949 1.00 73.89 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2230 ATOM 2230 CD GLU A 462 -2.800 70.936 36.786 1.00 78.06 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2231 ATOM 2231 OE1 GLU A 462 -2.056 71.306 35.848 1.00 79.75 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2232 ATOM 2232 OE2 GLU A 462 -3.328 71.740 37.593 1.00 79.59 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2233 ATOM 2233 H GLU A 462 -0.111 66.856 37.108 1.00 64.36 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2234 ATOM 2234 N GLY A 463 -4.183 66.174 36.543 1.00 64.90 -0.351 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2235 ATOM 2235 CA GLY A 463 -5.122 65.650 35.566 1.00 63.36 0.225 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2236 ATOM 2236 C GLY A 463 -4.941 64.184 35.202 1.00 62.63 0.236 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2237 ATOM 2237 O GLY A 463 -5.654 63.664 34.341 1.00 61.98 -0.272 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2238 ATOM 2238 H GLY A 463 -4.482 66.206 37.349 1.00 64.90 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2239 ATOM 2239 N CYS A 464 -3.994 63.509 35.843 1.00 61.45 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2240 ATOM 2240 CA CYS A 464 -3.751 62.103 35.548 1.00 59.53 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2241 ATOM 2241 C CYS A 464 -4.782 61.245 36.258 1.00 59.49 0.244 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2242 ATOM 2242 O CYS A 464 -4.951 61.337 37.470 1.00 60.73 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2243 ATOM 2243 CB CYS A 464 -2.343 61.692 35.993 1.00 57.97 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2244 ATOM 2244 SG CYS A 464 -1.940 59.958 35.667 1.00 54.12 -0.180 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2245 ATOM 2245 H CYS A 464 -3.484 63.844 36.449 1.00 61.45 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2246 ATOM 2246 HG CYS A 464 -2.812 59.256 36.099 1.00 54.12 0.101 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2247 ATOM 2247 N PRO A 465 -5.492 60.397 35.512 1.00 59.21 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2248 ATOM 2248 CA PRO A 465 -6.500 59.549 36.154 1.00 59.63 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2249 ATOM 2249 C PRO A 465 -5.885 58.606 37.189 1.00 60.00 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2250 ATOM 2250 O PRO A 465 -4.760 58.132 37.015 1.00 59.56 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2251 ATOM 2251 CB PRO A 465 -7.146 58.818 34.976 1.00 59.40 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2252 ATOM 2252 CG PRO A 465 -6.054 58.788 33.949 1.00 60.30 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2253 ATOM 2253 CD PRO A 465 -5.434 60.156 34.062 1.00 59.28 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2254 ATOM 2254 N GLU A 466 -6.625 58.350 38.267 1.00 59.52 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2255 ATOM 2255 CA GLU A 466 -6.166 57.483 39.353 1.00 58.28 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2256 ATOM 2256 C GLU A 466 -5.769 56.078 38.902 1.00 56.88 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2257 ATOM 2257 O GLU A 466 -4.782 55.529 39.380 1.00 56.05 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2258 ATOM 2258 CB GLU A 466 -7.239 57.401 40.449 1.00 58.60 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2259 ATOM 2259 H GLU A 466 -7.411 58.676 38.390 1.00 59.52 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2260 ATOM 2260 N LYS A 467 -6.538 55.490 37.994 1.00 55.48 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2261 ATOM 2261 CA LYS A 467 -6.215 54.150 37.510 1.00 54.12 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2262 ATOM 2262 C LYS A 467 -4.869 54.135 36.782 1.00 52.87 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2263 ATOM 2263 O LYS A 467 -4.082 53.198 36.930 1.00 53.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2264 ATOM 2264 CB LYS A 467 -7.323 53.640 36.588 1.00 53.13 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2265 ATOM 2265 H LYS A 467 -7.242 55.842 37.648 1.00 55.48 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2266 ATOM 2266 N VAL A 468 -4.606 55.172 35.993 1.00 51.24 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2267 ATOM 2267 CA VAL A 468 -3.350 55.260 35.267 1.00 49.70 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2268 ATOM 2268 C VAL A 468 -2.198 55.412 36.255 1.00 48.97 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2269 ATOM 2269 O VAL A 468 -1.198 54.706 36.162 1.00 48.17 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2270 ATOM 2270 CB VAL A 468 -3.361 56.446 34.278 1.00 50.35 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2271 ATOM 2271 CG1 VAL A 468 -1.983 56.641 33.664 1.00 49.67 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2272 ATOM 2272 CG2 VAL A 468 -4.374 56.179 33.178 1.00 50.37 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2273 ATOM 2273 H VAL A 468 -5.142 55.833 35.866 1.00 51.24 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2274 ATOM 2274 N TYR A 469 -2.351 56.318 37.216 1.00 47.77 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2275 ATOM 2275 CA TYR A 469 -1.313 56.541 38.206 1.00 47.02 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2276 ATOM 2276 C TYR A 469 -1.030 55.284 39.021 1.00 48.35 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2277 ATOM 2277 O TYR A 469 0.125 54.991 39.341 1.00 47.82 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2278 ATOM 2278 CB TYR A 469 -1.703 57.668 39.155 1.00 46.51 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2279 ATOM 2279 CG TYR A 469 -0.601 58.009 40.124 1.00 47.34 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2280 ATOM 2280 CD1 TYR A 469 0.636 58.455 39.658 1.00 47.16 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2281 ATOM 2281 CD2 TYR A 469 -0.781 57.885 41.502 1.00 46.88 0.010 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2282 ATOM 2282 CE1 TYR A 469 1.671 58.768 40.528 1.00 47.58 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2283 ATOM 2283 CE2 TYR A 469 0.255 58.200 42.392 1.00 48.67 0.037 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2284 ATOM 2284 CZ TYR A 469 1.480 58.641 41.891 1.00 48.49 0.065 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2285 ATOM 2285 OH TYR A 469 2.519 58.942 42.734 1.00 47.89 -0.361 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2286 ATOM 2286 H TYR A 469 -3.049 56.812 37.309 1.00 47.77 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2287 ATOM 2287 HH TYR A 469 3.229 59.013 42.290 1.00 47.89 0.217 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2288 ATOM 2288 N GLU A 470 -2.081 54.543 39.360 1.00 49.27 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2289 ATOM 2289 CA GLU A 470 -1.922 53.319 40.143 1.00 51.00 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2290 ATOM 2290 C GLU A 470 -1.096 52.321 39.350 1.00 51.21 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2291 ATOM 2291 O GLU A 470 -0.383 51.502 39.922 1.00 51.06 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2292 ATOM 2292 CB GLU A 470 -3.293 52.717 40.496 1.00 50.90 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2293 ATOM 2293 H GLU A 470 -2.893 54.730 39.148 1.00 49.27 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2294 ATOM 2294 N LEU A 471 -1.193 52.404 38.026 1.00 53.23 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2295 ATOM 2295 CA LEU A 471 -0.448 51.513 37.142 1.00 53.55 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2296 ATOM 2296 C LEU A 471 1.014 51.958 37.138 1.00 52.09 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2297 ATOM 2297 O LEU A 471 1.934 51.144 37.115 1.00 50.74 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2298 ATOM 2298 CB LEU A 471 -1.014 51.588 35.728 1.00 56.49 0.038 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2299 ATOM 2299 CG LEU A 471 -0.645 50.411 34.831 1.00 57.97 -0.020 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2300 ATOM 2300 CD1 LEU A 471 -1.546 49.221 35.150 1.00 57.31 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2301 ATOM 2301 CD2 LEU A 471 -0.802 50.816 33.395 1.00 58.02 0.009 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2302 ATOM 2302 H LEU A 471 -1.689 52.975 37.617 1.00 53.23 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2303 ATOM 2303 N MET A 472 1.208 53.269 37.147 1.00 51.20 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2304 ATOM 2304 CA MET A 472 2.540 53.859 37.185 1.00 51.58 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2305 ATOM 2305 C MET A 472 3.250 53.325 38.437 1.00 51.34 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2306 ATOM 2306 O MET A 472 4.424 52.934 38.407 1.00 51.00 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2307 ATOM 2307 CB MET A 472 2.414 55.381 37.297 1.00 51.40 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2308 ATOM 2308 CG MET A 472 3.012 56.166 36.160 1.00 51.37 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2309 ATOM 2309 SD MET A 472 2.675 57.910 36.383 1.00 51.28 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2310 ATOM 2310 CE MET A 472 1.315 58.143 35.243 1.00 49.57 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2311 ATOM 2311 H MET A 472 0.569 53.845 37.131 1.00 51.20 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2312 ATOM 2312 N ARG A 473 2.502 53.326 39.536 1.00 49.91 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2313 ATOM 2313 CA ARG A 473 2.976 52.876 40.837 1.00 49.87 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2314 ATOM 2314 C ARG A 473 3.360 51.409 40.840 1.00 48.44 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2315 ATOM 2315 O ARG A 473 4.353 51.022 41.454 1.00 47.77 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2316 ATOM 2316 CB ARG A 473 1.888 53.107 41.883 1.00 52.19 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2317 ATOM 2317 CG ARG A 473 2.088 54.301 42.804 1.00 55.99 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2318 ATOM 2318 CD ARG A 473 3.278 55.174 42.443 1.00 57.38 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2319 ATOM 2319 NE ARG A 473 3.330 56.347 43.307 1.00 62.20 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2320 ATOM 2320 CZ ARG A 473 3.447 56.303 44.633 1.00 64.46 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2321 ATOM 2321 NH1 ARG A 473 3.534 55.133 45.261 1.00 64.34 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2322 ATOM 2322 NH2 ARG A 473 3.454 57.435 45.334 1.00 63.64 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2323 ATOM 2323 H ARG A 473 1.685 53.595 39.544 1.00 49.91 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2324 ATOM 2324 HE ARG A 473 3.282 57.121 42.935 1.00 62.20 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2325 ATOM 2325 HH11 ARG A 473 3.515 54.401 44.810 1.00 64.34 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2326 ATOM 2326 HH12 ARG A 473 3.609 55.109 46.117 1.00 64.34 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2327 ATOM 2327 HH21 ARG A 473 3.383 58.191 44.930 1.00 63.64 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2328 ATOM 2328 HH22 ARG A 473 3.529 57.410 46.190 1.00 63.64 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2329 ATOM 2329 N ALA A 474 2.560 50.589 40.168 1.00 46.23 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2330 ATOM 2330 CA ALA A 474 2.845 49.167 40.102 1.00 45.01 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2331 ATOM 2331 C ALA A 474 4.115 48.937 39.293 1.00 44.88 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2332 ATOM 2332 O ALA A 474 4.885 48.019 39.582 1.00 46.70 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2333 ATOM 2333 CB ALA A 474 1.676 48.427 39.484 1.00 45.66 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2334 ATOM 2334 H ALA A 474 1.852 50.836 39.747 1.00 46.23 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2335 ATOM 2335 N CYS A 475 4.341 49.771 38.284 1.00 42.95 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2336 ATOM 2336 CA CYS A 475 5.539 49.648 37.457 1.00 43.98 0.185 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2337 ATOM 2337 C CYS A 475 6.788 50.035 38.236 1.00 44.34 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2338 ATOM 2338 O CYS A 475 7.898 49.641 37.872 1.00 41.49 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2339 ATOM 2339 CB CYS A 475 5.459 50.555 36.217 1.00 44.37 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2340 ATOM 2340 SG CYS A 475 4.261 50.074 34.966 1.00 45.82 -0.180 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2341 ATOM 2341 H CYS A 475 3.815 50.414 38.061 1.00 42.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2342 ATOM 2342 HG CYS A 475 3.153 50.307 35.362 1.00 45.82 0.101 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2343 ATOM 2343 N TRP A 476 6.605 50.823 39.297 1.00 45.79 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2344 ATOM 2344 CA TRP A 476 7.733 51.280 40.094 1.00 46.96 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2345 ATOM 2345 C TRP A 476 7.964 50.493 41.385 1.00 50.09 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2346 ATOM 2346 O TRP A 476 8.563 51.004 42.335 1.00 50.21 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2347 ATOM 2347 CB TRP A 476 7.595 52.780 40.396 1.00 43.57 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2348 ATOM 2348 CG TRP A 476 7.567 53.644 39.150 1.00 42.09 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2349 ATOM 2349 CD1 TRP A 476 8.146 53.359 37.948 1.00 40.71 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2350 ATOM 2350 CD2 TRP A 476 6.964 54.939 39.004 1.00 41.07 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2351 ATOM 2351 NE1 TRP A 476 7.944 54.386 37.066 1.00 41.95 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2352 ATOM 2352 CE2 TRP A 476 7.221 55.376 37.689 1.00 40.81 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2353 ATOM 2353 CE3 TRP A 476 6.232 55.777 39.860 1.00 41.45 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2354 ATOM 2354 CZ2 TRP A 476 6.777 56.610 37.200 1.00 42.51 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2355 ATOM 2355 CZ3 TRP A 476 5.787 57.008 39.378 1.00 41.92 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2356 ATOM 2356 CH2 TRP A 476 6.062 57.412 38.058 1.00 43.05 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2357 ATOM 2357 H TRP A 476 5.837 51.101 39.568 1.00 45.79 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2358 ATOM 2358 HE1 TRP A 476 8.224 54.409 36.253 1.00 41.95 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2359 ATOM 2359 N GLN A 477 7.492 49.250 41.420 1.00 51.82 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2360 ATOM 2360 CA GLN A 477 7.699 48.409 42.596 1.00 53.34 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2361 ATOM 2361 C GLN A 477 9.198 48.150 42.735 1.00 52.47 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2362 ATOM 2362 O GLN A 477 9.872 47.841 41.753 1.00 51.85 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2363 ATOM 2363 CB GLN A 477 6.958 47.077 42.440 1.00 55.37 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2364 ATOM 2364 CG GLN A 477 5.460 47.190 42.578 1.00 57.54 0.105 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2365 ATOM 2365 CD GLN A 477 5.053 47.641 43.959 1.00 60.65 0.215 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2366 ATOM 2366 OE1 GLN A 477 5.326 46.961 44.947 1.00 61.92 -0.274 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2367 ATOM 2367 NE2 GLN A 477 4.399 48.797 44.041 1.00 63.50 -0.370 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2368 ATOM 2368 H GLN A 477 7.054 48.877 40.781 1.00 51.82 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2369 ATOM 2369 1HE2 GLN A 477 4.226 49.245 43.327 1.00 63.50 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2370 ATOM 2370 2HE2 GLN A 477 4.149 49.096 44.808 1.00 63.50 0.159 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2371 ATOM 2371 N TRP A 478 9.716 48.279 43.952 1.00 52.75 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2372 ATOM 2372 CA TRP A 478 11.142 48.070 44.185 1.00 53.81 0.181 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2373 ATOM 2373 C TRP A 478 11.609 46.691 43.724 1.00 53.59 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2374 ATOM 2374 O TRP A 478 12.664 46.548 43.111 1.00 52.39 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2375 ATOM 2375 CB TRP A 478 11.481 48.264 45.665 1.00 51.80 0.075 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2376 ATOM 2376 CG TRP A 478 12.957 48.191 45.915 1.00 54.01 -0.028 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2377 ATOM 2377 CD1 TRP A 478 13.676 47.088 46.294 1.00 53.33 0.096 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2378 ATOM 2378 CD2 TRP A 478 13.902 49.247 45.718 1.00 54.29 -0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2379 ATOM 2379 NE1 TRP A 478 15.018 47.395 46.344 1.00 54.82 -0.365 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2380 ATOM 2380 CE2 TRP A 478 15.192 48.714 45.996 1.00 55.27 0.042 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2381 ATOM 2381 CE3 TRP A 478 13.808 50.591 45.333 1.00 52.07 0.014 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2382 ATOM 2382 CZ2 TRP A 478 16.358 49.480 45.901 1.00 54.65 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2383 ATOM 2383 CZ3 TRP A 478 14.968 51.353 45.236 1.00 53.34 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2384 ATOM 2384 CH2 TRP A 478 16.229 50.793 45.519 1.00 53.19 0.002 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2385 ATOM 2385 H TRP A 478 9.263 48.486 44.653 1.00 52.75 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2386 ATOM 2386 HE1 TRP A 478 15.647 46.849 46.559 1.00 54.82 0.165 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2387 ATOM 2387 N ASN A 479 10.818 45.677 44.034 1.00 55.02 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2388 ATOM 2388 CA ASN A 479 11.154 44.319 43.637 1.00 56.72 0.184 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2389 ATOM 2389 C ASN A 479 10.584 44.070 42.232 1.00 54.99 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2390 ATOM 2390 O ASN A 479 9.366 44.113 42.034 1.00 54.17 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2391 ATOM 2391 CB ASN A 479 10.557 43.333 44.645 1.00 58.79 0.121 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2392 ATOM 2392 CG ASN A 479 10.895 41.894 44.322 1.00 62.14 0.151 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2393 ATOM 2393 OD1 ASN A 479 11.832 41.688 43.397 1.00 64.99 -0.178 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2394 ATOM 2394 ND2 ASN A 479 10.323 40.975 44.905 1.00 63.54 -0.381 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2395 ATOM 2395 H ASN A 479 10.082 45.752 44.473 1.00 55.02 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2396 ATOM 2396 1HD2 ASN A 479 9.723 41.148 45.496 1.00 63.54 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2397 ATOM 2397 2HD2 ASN A 479 10.523 40.159 44.721 1.00 63.54 0.158 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2398 ATOM 2398 N PRO A 480 11.456 43.822 41.241 1.00 54.02 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2399 ATOM 2399 CA PRO A 480 11.019 43.575 39.863 1.00 54.93 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2400 ATOM 2400 C PRO A 480 9.958 42.489 39.684 1.00 56.62 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2401 ATOM 2401 O PRO A 480 9.116 42.580 38.789 1.00 56.95 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2402 ATOM 2402 CB PRO A 480 12.327 43.260 39.124 1.00 54.41 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2403 ATOM 2403 CG PRO A 480 13.298 42.908 40.202 1.00 53.58 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2404 ATOM 2404 CD PRO A 480 12.925 43.817 41.329 1.00 54.52 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2405 ATOM 2405 N SER A 481 9.982 41.470 40.536 1.00 57.30 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2406 ATOM 2406 CA SER A 481 9.003 40.399 40.433 1.00 57.81 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2407 ATOM 2407 C SER A 481 7.606 40.879 40.818 1.00 57.42 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2408 ATOM 2408 O SER A 481 6.606 40.267 40.436 1.00 56.63 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2409 ATOM 2409 CB SER A 481 9.419 39.206 41.309 1.00 60.02 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2410 ATOM 2410 OG SER A 481 9.535 39.571 42.677 1.00 61.75 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2411 ATOM 2411 H SER A 481 10.551 41.381 41.174 1.00 57.30 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2412 ATOM 2412 HG SER A 481 9.762 38.900 43.128 1.00 61.75 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2413 ATOM 2413 N ASP A 482 7.533 41.978 41.562 1.00 56.85 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2414 ATOM 2414 CA ASP A 482 6.240 42.521 41.972 1.00 57.35 0.186 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2415 ATOM 2415 C ASP A 482 5.649 43.438 40.908 1.00 57.13 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2416 ATOM 2416 O ASP A 482 4.494 43.866 41.013 1.00 56.46 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2417 ATOM 2417 CB ASP A 482 6.362 43.311 43.277 1.00 59.22 0.147 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2418 ATOM 2418 CG ASP A 482 6.697 42.435 44.462 1.00 62.35 0.175 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2419 ATOM 2419 OD1 ASP A 482 6.026 41.396 44.649 1.00 62.24 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2420 ATOM 2420 OD2 ASP A 482 7.631 42.793 45.214 1.00 65.48 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2421 ATOM 2421 H ASP A 482 8.215 42.423 41.839 1.00 56.85 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2422 ATOM 2422 N ARG A 483 6.443 43.754 39.890 1.00 54.95 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2423 ATOM 2423 CA ARG A 483 5.966 44.631 38.827 1.00 55.04 0.176 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2424 ATOM 2424 C ARG A 483 5.101 43.848 37.859 1.00 55.03 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2425 ATOM 2425 O ARG A 483 5.388 42.691 37.549 1.00 56.17 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2426 ATOM 2426 CB ARG A 483 7.142 45.257 38.075 1.00 52.66 0.036 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2427 ATOM 2427 CG ARG A 483 8.008 46.156 38.939 1.00 51.53 0.023 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2428 ATOM 2428 CD ARG A 483 9.297 46.512 38.227 1.00 51.05 0.138 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2429 ATOM 2429 NE ARG A 483 10.332 46.896 39.180 1.00 51.57 -0.227 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2430 ATOM 2430 CZ ARG A 483 11.633 46.867 38.922 1.00 49.55 0.665 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2431 ATOM 2431 NH1 ARG A 483 12.068 46.476 37.735 1.00 48.77 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2432 ATOM 2432 NH2 ARG A 483 12.499 47.215 39.859 1.00 49.35 -0.235 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2433 ATOM 2433 H ARG A 483 7.251 43.475 39.796 1.00 54.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2434 ATOM 2434 HE ARG A 483 10.083 47.158 39.960 1.00 51.57 0.177 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2435 ATOM 2435 HH11 ARG A 483 11.507 46.240 37.128 1.00 48.77 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2436 ATOM 2436 HH12 ARG A 483 12.912 46.458 37.571 1.00 48.77 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2437 ATOM 2437 HH21 ARG A 483 12.219 47.460 40.634 1.00 49.35 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2438 ATOM 2438 HH22 ARG A 483 13.343 47.197 39.693 1.00 49.35 0.174 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2439 ATOM 2439 N PRO A 484 4.017 44.462 37.374 1.00 53.98 -0.337 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2440 ATOM 2440 CA PRO A 484 3.168 43.727 36.436 1.00 53.07 0.179 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2441 ATOM 2441 C PRO A 484 3.891 43.445 35.126 1.00 52.32 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2442 ATOM 2442 O PRO A 484 4.900 44.074 34.822 1.00 52.78 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2443 ATOM 2443 CB PRO A 484 1.964 44.652 36.257 1.00 53.71 0.037 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2444 ATOM 2444 CG PRO A 484 2.541 46.023 36.506 1.00 54.61 0.022 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2445 ATOM 2445 CD PRO A 484 3.465 45.795 37.674 1.00 52.80 0.127 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2446 ATOM 2446 N SER A 485 3.386 42.478 34.365 1.00 51.29 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2447 ATOM 2447 CA SER A 485 3.971 42.149 33.070 1.00 50.50 0.200 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2448 ATOM 2448 C SER A 485 3.315 43.074 32.050 1.00 49.18 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2449 ATOM 2449 O SER A 485 2.281 43.691 32.336 1.00 48.55 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2450 ATOM 2450 CB SER A 485 3.671 40.696 32.708 1.00 51.74 0.199 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2451 ATOM 2451 OG SER A 485 2.271 40.476 32.687 1.00 54.88 -0.398 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2452 ATOM 2452 H SER A 485 2.704 42.000 34.581 1.00 51.29 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2453 ATOM 2453 HG SER A 485 2.116 39.675 32.486 1.00 54.88 0.209 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2454 ATOM 2454 N PHE A 486 3.897 43.184 30.865 1.00 47.55 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2455 ATOM 2455 CA PHE A 486 3.300 44.060 29.864 1.00 47.73 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2456 ATOM 2456 C PHE A 486 1.956 43.522 29.370 1.00 47.91 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2457 ATOM 2457 O PHE A 486 1.101 44.284 28.919 1.00 47.68 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2458 ATOM 2458 CB PHE A 486 4.264 44.269 28.698 1.00 45.75 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2459 ATOM 2459 CG PHE A 486 5.343 45.281 28.979 1.00 43.18 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2460 ATOM 2460 CD1 PHE A 486 5.019 46.618 29.172 1.00 41.09 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2461 ATOM 2461 CD2 PHE A 486 6.680 44.903 29.021 1.00 41.89 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2462 ATOM 2462 CE1 PHE A 486 6.003 47.566 29.400 1.00 40.12 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2463 ATOM 2463 CE2 PHE A 486 7.687 45.845 29.252 1.00 42.45 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2464 ATOM 2464 CZ PHE A 486 7.347 47.183 29.440 1.00 40.94 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2465 ATOM 2465 H PHE A 486 4.614 42.776 30.623 1.00 47.55 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2466 ATOM 2466 N ALA A 487 1.764 42.211 29.471 1.00 49.46 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2467 ATOM 2467 CA ALA A 487 0.503 41.596 29.056 1.00 51.93 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2468 ATOM 2468 C ALA A 487 -0.648 42.137 29.908 1.00 52.17 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2469 ATOM 2469 O ALA A 487 -1.694 42.518 29.384 1.00 52.81 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2470 ATOM 2470 CB ALA A 487 0.580 40.078 29.186 1.00 49.71 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2471 ATOM 2471 H ALA A 487 2.349 41.659 29.776 1.00 49.46 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2472 ATOM 2472 N GLU A 488 -0.457 42.182 31.220 1.00 53.07 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2473 ATOM 2473 CA GLU A 488 -1.505 42.694 32.089 1.00 55.42 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2474 ATOM 2474 C GLU A 488 -1.620 44.205 32.003 1.00 54.22 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2475 ATOM 2475 O GLU A 488 -2.701 44.759 32.190 1.00 53.68 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2476 ATOM 2476 CB GLU A 488 -1.280 42.246 33.544 1.00 59.13 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2477 ATOM 2477 CG GLU A 488 0.163 42.023 33.914 1.00 66.29 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2478 ATOM 2478 CD GLU A 488 0.322 41.291 35.237 1.00 69.69 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2479 ATOM 2479 OE1 GLU A 488 -0.065 41.852 36.286 1.00 72.17 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2480 ATOM 2480 OE2 GLU A 488 0.834 40.151 35.225 1.00 71.64 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2481 ATOM 2481 H GLU A 488 0.259 41.926 31.621 1.00 53.07 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2482 ATOM 2482 N ILE A 489 -0.510 44.876 31.709 1.00 53.26 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2483 ATOM 2483 CA ILE A 489 -0.528 46.330 31.579 1.00 50.39 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2484 ATOM 2484 C ILE A 489 -1.351 46.677 30.342 1.00 49.81 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2485 ATOM 2485 O ILE A 489 -2.176 47.592 30.356 1.00 47.65 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2486 ATOM 2486 CB ILE A 489 0.895 46.897 31.405 1.00 48.99 0.013 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2487 ATOM 2487 CG1 ILE A 489 1.651 46.813 32.727 1.00 47.28 0.002 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2488 ATOM 2488 CG2 ILE A 489 0.830 48.325 30.903 1.00 47.55 0.012 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2489 ATOM 2489 CD1 ILE A 489 3.098 47.222 32.622 1.00 44.46 0.005 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2490 ATOM 2490 H ILE A 489 0.259 44.512 31.582 1.00 53.26 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2491 ATOM 2491 N HIS A 490 -1.115 45.937 29.268 1.00 50.76 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2492 ATOM 2492 CA HIS A 490 -1.841 46.165 28.026 1.00 52.67 0.182 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2493 ATOM 2493 C HIS A 490 -3.328 45.905 28.226 1.00 52.44 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2494 ATOM 2494 O HIS A 490 -4.163 46.686 27.773 1.00 51.99 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2495 ATOM 2495 CB HIS A 490 -1.314 45.267 26.913 1.00 52.96 0.093 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2496 ATOM 2496 CG HIS A 490 -2.047 45.430 25.622 1.00 54.67 0.030 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2497 ATOM 2497 ND1 HIS A 490 -2.002 46.592 24.884 1.00 55.42 -0.353 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2498 ATOM 2498 CD2 HIS A 490 -2.879 44.595 24.956 1.00 56.03 0.143 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2499 ATOM 2499 CE1 HIS A 490 -2.775 46.467 23.820 1.00 55.62 0.207 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2500 ATOM 2500 NE2 HIS A 490 -3.319 45.264 23.841 1.00 56.42 -0.254 NA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2501 ATOM 2501 H HIS A 490 -0.540 45.299 29.236 1.00 50.76 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2502 ATOM 2502 HD1 HIS A 490 -1.542 47.290 25.085 1.00 55.42 0.166 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2503 ATOM 2503 N GLN A 491 -3.660 44.807 28.899 1.00 53.12 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2504 ATOM 2504 CA GLN A 491 -5.063 44.495 29.169 1.00 53.92 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2505 ATOM 2505 C GLN A 491 -5.703 45.609 29.998 1.00 53.84 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2506 ATOM 2506 O GLN A 491 -6.824 46.032 29.717 1.00 54.40 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2507 ATOM 2507 CB GLN A 491 -5.184 43.166 29.902 1.00 53.40 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2508 ATOM 2508 H GLN A 491 -3.096 44.235 29.206 1.00 53.12 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2509 ATOM 2509 N ALA A 492 -4.988 46.088 31.015 1.00 54.60 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2510 ATOM 2510 CA ALA A 492 -5.512 47.153 31.864 1.00 55.26 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2511 ATOM 2511 C ALA A 492 -5.861 48.367 31.022 1.00 56.38 0.240 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2512 ATOM 2512 O ALA A 492 -6.906 48.982 31.218 1.00 58.20 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2513 ATOM 2513 CB ALA A 492 -4.496 47.529 32.937 1.00 53.08 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2514 ATOM 2514 H ALA A 492 -4.202 45.811 31.228 1.00 54.60 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2515 ATOM 2515 N PHE A 493 -4.990 48.712 30.077 1.00 57.89 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2516 ATOM 2516 CA PHE A 493 -5.236 49.866 29.221 1.00 58.79 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2517 ATOM 2517 C PHE A 493 -6.385 49.656 28.247 1.00 60.49 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2518 ATOM 2518 O PHE A 493 -7.207 50.548 28.071 1.00 61.00 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2519 ATOM 2519 CB PHE A 493 -3.969 50.248 28.454 1.00 58.69 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2520 ATOM 2520 CG PHE A 493 -3.062 51.157 29.216 1.00 56.60 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2521 ATOM 2521 CD1 PHE A 493 -3.472 52.430 29.554 1.00 56.12 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2522 ATOM 2522 CD2 PHE A 493 -1.814 50.725 29.632 1.00 56.46 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2523 ATOM 2523 CE1 PHE A 493 -2.651 53.265 30.300 1.00 57.28 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2524 ATOM 2524 CE2 PHE A 493 -0.996 51.551 30.374 1.00 56.60 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2525 ATOM 2525 CZ PHE A 493 -1.414 52.822 30.711 1.00 56.62 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2526 ATOM 2526 H PHE A 493 -4.256 48.294 29.917 1.00 57.89 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2527 ATOM 2527 N GLU A 494 -6.446 48.496 27.601 1.00 61.95 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2528 ATOM 2528 CA GLU A 494 -7.535 48.243 26.669 1.00 64.91 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2529 ATOM 2529 C GLU A 494 -8.841 48.446 27.413 1.00 65.53 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2530 ATOM 2530 O GLU A 494 -9.695 49.224 26.996 1.00 64.38 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2531 ATOM 2531 CB GLU A 494 -7.485 46.816 26.131 1.00 67.73 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2532 ATOM 2532 CG GLU A 494 -6.395 46.561 25.120 1.00 71.90 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2533 ATOM 2533 CD GLU A 494 -6.506 45.179 24.511 1.00 76.12 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2534 ATOM 2534 OE1 GLU A 494 -6.575 44.192 25.282 1.00 78.16 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2535 ATOM 2535 OE2 GLU A 494 -6.525 45.077 23.265 1.00 77.38 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2536 ATOM 2536 H GLU A 494 -5.879 47.855 27.686 1.00 61.95 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2537 ATOM 2537 N THR A 495 -8.985 47.736 28.526 1.00 66.37 -0.344 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2538 ATOM 2538 CA THR A 495 -10.185 47.843 29.336 1.00 67.39 0.205 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2539 ATOM 2539 C THR A 495 -10.471 49.316 29.595 1.00 69.26 0.243 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2540 ATOM 2540 O THR A 495 -11.540 49.840 29.273 1.00 68.79 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2541 ATOM 2541 CB THR A 495 -10.001 47.138 30.692 1.00 67.11 0.146 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2542 ATOM 2542 OG1 THR A 495 -9.877 45.726 30.487 1.00 64.92 -0.393 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2543 ATOM 2543 CG2 THR A 495 -11.185 47.424 31.605 1.00 67.21 0.042 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2544 ATOM 2544 H THR A 495 -8.397 47.186 28.828 1.00 66.37 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2545 ATOM 2545 HG1 THR A 495 -9.090 45.544 30.255 1.00 64.92 0.210 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2546 ATOM 2546 N MET A 496 -9.486 49.975 30.183 1.00 70.48 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2547 ATOM 2547 CA MET A 496 -9.584 51.377 30.515 1.00 72.06 0.177 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2548 ATOM 2548 C MET A 496 -9.918 52.191 29.269 1.00 73.93 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2549 ATOM 2549 O MET A 496 -10.586 53.224 29.347 1.00 74.19 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2550 ATOM 2550 CB MET A 496 -8.254 51.814 31.119 1.00 70.74 0.045 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2551 ATOM 2551 CG MET A 496 -8.268 53.128 31.840 1.00 69.50 0.076 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2552 ATOM 2552 SD MET A 496 -6.954 53.109 33.054 1.00 70.45 -0.173 SA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2553 ATOM 2553 CE MET A 496 -5.542 52.993 32.023 1.00 71.50 0.089 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2554 ATOM 2554 H MET A 496 -8.736 49.615 30.401 1.00 70.48 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2555 ATOM 2555 N PHE A 497 -9.469 51.711 28.113 1.00 76.39 -0.346 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2556 ATOM 2556 CA PHE A 497 -9.728 52.421 26.867 1.00 78.51 0.180 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2557 ATOM 2557 C PHE A 497 -11.222 52.482 26.591 1.00 80.00 0.241 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2558 ATOM 2558 O PHE A 497 -11.656 53.107 25.627 1.00 80.73 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2559 ATOM 2559 CB PHE A 497 -8.992 51.764 25.694 1.00 77.30 0.073 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2560 ATOM 2560 CG PHE A 497 -8.889 52.645 24.483 1.00 75.26 -0.056 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2561 ATOM 2561 CD1 PHE A 497 -8.326 53.910 24.587 1.00 73.03 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2562 ATOM 2562 CD2 PHE A 497 -9.374 52.223 23.248 1.00 75.22 0.007 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2563 ATOM 2563 CE1 PHE A 497 -8.251 54.749 23.481 1.00 73.27 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2564 ATOM 2564 CE2 PHE A 497 -9.304 53.054 22.132 1.00 75.21 0.001 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2565 ATOM 2565 CZ PHE A 497 -8.740 54.323 22.248 1.00 74.83 0.000 A
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2566 ATOM 2566 H PHE A 497 -9.017 50.984 28.029 1.00 76.39 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2567 ATOM 2567 N GLN A 498 -12.005 51.821 27.440 1.00 82.65 -0.345 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2568 ATOM 2568 CA GLN A 498 -13.459 51.848 27.319 1.00 83.69 0.188 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2569 ATOM 2569 C GLN A 498 -13.830 53.253 27.778 1.00 84.42 0.242 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2570 ATOM 2570 O GLN A 498 -13.228 53.773 28.721 1.00 84.42 -0.271 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2571 ATOM 2571 CB GLN A 498 -14.091 50.807 28.237 1.00 83.83 0.024 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2572 ATOM 2572 H GLN A 498 -11.711 51.349 28.096 1.00 82.65 0.163 HD
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2573 ATOM 2573 N GLU A 499 -14.808 53.869 27.123 1.00 85.39 -0.347 N
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2574 ATOM 2574 CA GLU A 499 -15.206 55.233 27.465 1.00 85.86 0.163 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2575 ATOM 2575 C GLU A 499 -14.088 56.187 27.012 1.00 85.54 0.219 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2576 ATOM 2576 O GLU A 499 -13.405 56.771 27.885 1.00 85.21 -0.287 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2577 ATOM 2577 CB GLU A 499 -15.435 55.382 28.980 1.00 86.36 0.044 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2578 ATOM 2578 CG GLU A 499 -16.854 55.784 29.370 1.00 87.39 0.116 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2579 ATOM 2579 CD GLU A 499 -17.743 54.590 29.672 1.00 88.29 0.172 C
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2580 ATOM 2580 OE1 GLU A 499 -17.551 53.964 30.738 1.00 89.34 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2581 ATOM 2581 OE2 GLU A 499 -18.627 54.272 28.849 1.00 87.77 -0.648 OA
90ea16534012 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 8ae58ec16b3b6d62b47022745211f11181ad78ea"
bgruening
parents:
diff changeset
2582 ATOM 2582 H GLU A 499 -15.254 53.517 26.478 1.00 85.39 0.163 HD