annotate test-data/nvt.pdb @ 0:72c2b7992c26 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author chemteam
date Wed, 20 Nov 2019 11:14:52 -0500
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1 TITLE LYSOZYME in water
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
2 REMARK THIS IS A SIMULATION BOX
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
3 CRYST1 73.393 73.393 73.393 90.00 90.00 90.00 P 1 1
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
4 MODEL 1
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
5 ATOM 1 N LYS 1 44.140 34.010 24.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
6 ATOM 2 H1 LYS 1 44.800 34.710 24.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
7 ATOM 3 H2 LYS 1 43.600 33.690 23.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
8 ATOM 4 H3 LYS 1 43.600 34.470 25.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
9 ATOM 5 CA LYS 1 44.700 32.800 25.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
10 ATOM 6 HA LYS 1 45.180 32.270 24.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
11 ATOM 7 CB LYS 1 45.710 33.180 26.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
12 ATOM 8 HB1 LYS 1 46.560 33.700 25.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
13 ATOM 9 HB2 LYS 1 45.300 33.860 26.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
14 ATOM 10 CG LYS 1 46.290 32.000 27.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
15 ATOM 11 HG1 LYS 1 45.550 31.520 27.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
16 ATOM 12 HG2 LYS 1 46.450 31.200 26.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
17 ATOM 13 CD LYS 1 47.560 32.180 27.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
18 ATOM 14 HD1 LYS 1 48.380 32.160 27.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
19 ATOM 15 HD2 LYS 1 47.550 33.070 28.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
20 ATOM 16 CE LYS 1 47.790 30.950 28.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
21 ATOM 17 HE1 LYS 1 47.210 30.850 29.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
22 ATOM 18 HE2 LYS 1 47.510 29.990 28.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
23 ATOM 19 NZ LYS 1 49.180 30.740 29.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
24 ATOM 20 HZ1 LYS 1 49.180 29.970 29.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
25 ATOM 21 HZ2 LYS 1 49.750 30.410 28.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
26 ATOM 22 HZ3 LYS 1 49.650 31.520 29.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
27 ATOM 23 C LYS 1 43.540 31.960 25.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
28 ATOM 24 O LYS 1 42.590 32.590 26.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
29 ATOM 25 N VAL 2 43.630 30.630 25.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
30 ATOM 26 H VAL 2 44.340 30.240 25.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
31 ATOM 27 CA VAL 2 42.830 29.710 26.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
32 ATOM 28 HA VAL 2 42.160 30.270 27.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
33 ATOM 29 CB VAL 2 42.040 28.700 25.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
34 ATOM 30 HB VAL 2 42.790 28.170 24.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
35 ATOM 31 CG1 VAL 2 41.240 27.660 26.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
36 ATOM 32 1HG1 VAL 2 41.070 26.740 25.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
37 ATOM 33 2HG1 VAL 2 41.840 27.220 27.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
38 ATOM 34 3HG1 VAL 2 40.340 28.100 26.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
39 ATOM 35 CG2 VAL 2 41.190 29.390 24.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
40 ATOM 36 1HG2 VAL 2 40.530 28.670 24.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
41 ATOM 37 2HG2 VAL 2 40.630 30.270 24.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
42 ATOM 38 3HG2 VAL 2 41.680 29.830 23.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
43 ATOM 39 C VAL 2 43.840 29.010 27.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
44 ATOM 40 O VAL 2 44.660 28.230 26.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
45 ATOM 41 N PHE 3 43.730 29.310 28.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
46 ATOM 42 H PHE 3 42.910 29.870 28.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
47 ATOM 43 CA PHE 3 44.410 28.600 29.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
48 ATOM 44 HA PHE 3 45.470 28.520 29.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
49 ATOM 45 CB PHE 3 44.290 29.330 30.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
50 ATOM 46 HB1 PHE 3 43.250 29.640 31.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
51 ATOM 47 HB2 PHE 3 44.560 28.610 31.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
52 ATOM 48 CG PHE 3 45.160 30.540 31.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
53 ATOM 49 CD1 PHE 3 44.850 31.790 30.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
54 ATOM 50 HD1 PHE 3 43.940 31.830 30.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
55 ATOM 51 CD2 PHE 3 46.290 30.450 32.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
56 ATOM 52 HD2 PHE 3 46.490 29.480 32.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
57 ATOM 53 CE1 PHE 3 45.660 32.910 30.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
58 ATOM 54 HE1 PHE 3 45.520 33.850 30.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
59 ATOM 55 CE2 PHE 3 47.090 31.560 32.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
60 ATOM 56 HE2 PHE 3 47.970 31.550 32.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
61 ATOM 57 CZ PHE 3 46.700 32.800 31.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
62 ATOM 58 HZ PHE 3 47.330 33.670 31.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
63 ATOM 59 C PHE 3 43.770 27.230 29.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
64 ATOM 60 O PHE 3 42.560 27.050 29.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
65 ATOM 61 N GLY 4 44.560 26.300 30.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
66 ATOM 62 H GLY 4 45.560 26.450 30.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
67 ATOM 63 CA GLY 4 44.070 25.050 30.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
68 ATOM 64 HA1 GLY 4 43.100 24.800 30.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
69 ATOM 65 HA2 GLY 4 44.770 24.270 30.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
70 ATOM 66 C GLY 4 43.880 25.180 32.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
71 ATOM 67 O GLY 4 44.330 26.200 32.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
72 ATOM 68 N ARG 5 43.060 24.320 32.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
73 ATOM 69 H ARG 5 42.510 23.670 32.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
74 ATOM 70 CA ARG 5 42.570 24.340 34.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
75 ATOM 71 HA ARG 5 41.870 25.140 34.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
76 ATOM 72 CB ARG 5 41.820 23.030 34.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
77 ATOM 73 HB1 ARG 5 40.950 23.020 33.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
78 ATOM 74 HB2 ARG 5 42.490 22.220 34.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
79 ATOM 75 CG ARG 5 41.250 22.810 36.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
80 ATOM 76 HG1 ARG 5 42.090 22.580 36.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
81 ATOM 77 HG2 ARG 5 40.760 23.720 36.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
82 ATOM 78 CD ARG 5 40.260 21.650 36.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
83 ATOM 79 HD1 ARG 5 39.970 21.510 37.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
84 ATOM 80 HD2 ARG 5 39.280 21.860 35.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
85 ATOM 81 NE ARG 5 40.950 20.460 35.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
86 ATOM 82 HE ARG 5 40.860 20.260 34.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
87 ATOM 83 CZ ARG 5 41.580 19.550 36.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
88 ATOM 84 NH1 ARG 5 41.740 19.700 37.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
89 ATOM 85 1HH1 ARG 5 41.470 20.550 38.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
90 ATOM 86 2HH1 ARG 5 42.150 18.950 38.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
91 ATOM 87 NH2 ARG 5 42.090 18.560 35.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
92 ATOM 88 1HH2 ARG 5 42.130 18.530 34.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
93 ATOM 89 2HH2 ARG 5 42.550 17.740 36.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
94 ATOM 90 C ARG 5 43.670 24.560 35.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
95 ATOM 91 O ARG 5 43.590 25.480 36.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
96 ATOM 92 N CYS 6 44.660 23.680 35.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
97 ATOM 93 H CYS 6 44.640 22.910 34.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
98 ATOM 94 CA CYS 6 45.710 23.610 36.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
99 ATOM 95 HA CYS 6 45.240 23.870 37.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
100 ATOM 96 CB CYS 6 46.390 22.240 36.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
101 ATOM 97 HB1 CYS 6 46.850 21.960 35.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
102 ATOM 98 HB2 CYS 6 47.220 22.260 37.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
103 ATOM 99 SG CYS 6 45.280 20.870 36.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
104 ATOM 100 C CYS 6 46.720 24.720 36.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
105 ATOM 101 O CYS 6 47.190 25.300 37.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
106 ATOM 102 N GLU 7 46.920 25.090 34.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
107 ATOM 103 H GLU 7 46.360 24.680 34.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
108 ATOM 104 CA GLU 7 47.760 26.220 34.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
109 ATOM 105 HA GLU 7 48.720 25.990 34.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
110 ATOM 106 CB GLU 7 47.770 26.250 32.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
111 ATOM 107 HB1 GLU 7 48.220 25.330 32.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
112 ATOM 108 HB2 GLU 7 46.750 26.350 32.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
113 ATOM 109 CG GLU 7 48.720 27.280 32.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
114 ATOM 110 HG1 GLU 7 48.540 28.250 32.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
115 ATOM 111 HG2 GLU 7 49.780 27.070 32.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
116 ATOM 112 CD GLU 7 48.370 27.580 30.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
117 ATOM 113 OE1 GLU 7 47.360 27.100 30.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
118 ATOM 114 OE2 GLU 7 49.080 28.460 30.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
119 ATOM 115 C GLU 7 47.130 27.500 35.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
120 ATOM 116 O GLU 7 47.860 28.270 35.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
121 ATOM 117 N LEU 8 45.810 27.640 35.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
122 ATOM 118 H LEU 8 45.330 26.940 34.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
123 ATOM 119 CA LEU 8 45.020 28.730 35.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
124 ATOM 120 HA LEU 8 45.480 29.670 35.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
125 ATOM 121 CB LEU 8 43.560 28.620 35.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
126 ATOM 122 HB1 LEU 8 43.620 28.380 34.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
127 ATOM 123 HB2 LEU 8 43.160 27.720 35.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
128 ATOM 124 CG LEU 8 42.740 29.880 35.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
129 ATOM 125 HG LEU 8 42.740 30.060 36.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
130 ATOM 126 CD1 LEU 8 43.110 31.230 34.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
131 ATOM 127 1HD1 LEU 8 42.410 32.000 35.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
132 ATOM 128 2HD1 LEU 8 44.150 31.480 35.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
133 ATOM 129 3HD1 LEU 8 43.100 31.110 33.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
134 ATOM 130 CD2 LEU 8 41.260 29.540 35.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
135 ATOM 131 1HD2 LEU 8 40.790 29.950 36.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
136 ATOM 132 2HD2 LEU 8 40.800 30.080 34.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
137 ATOM 133 3HD2 LEU 8 41.170 28.460 35.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
138 ATOM 134 C LEU 8 45.060 28.690 37.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
139 ATOM 135 O LEU 8 45.400 29.690 37.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
140 ATOM 136 N ALA 9 44.740 27.580 37.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
141 ATOM 137 H ALA 9 44.510 26.810 37.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
142 ATOM 138 CA ALA 9 44.890 27.360 39.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
143 ATOM 139 HA ALA 9 44.120 28.020 39.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
144 ATOM 140 CB ALA 9 44.600 25.910 39.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
145 ATOM 141 HB1 ALA 9 44.260 25.910 40.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
146 ATOM 142 HB2 ALA 9 43.710 25.610 39.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
147 ATOM 143 HB3 ALA 9 45.460 25.280 39.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
148 ATOM 144 C ALA 9 46.210 27.860 39.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
149 ATOM 145 O ALA 9 46.200 28.480 40.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
150 ATOM 146 N ALA 10 47.340 27.640 39.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
151 ATOM 147 H ALA 10 47.150 27.080 38.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
152 ATOM 148 CA ALA 10 48.670 28.060 39.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
153 ATOM 149 HA ALA 10 48.800 27.720 40.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
154 ATOM 150 CB ALA 10 49.640 27.420 38.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
155 ATOM 151 HB1 ALA 10 50.660 27.590 38.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
156 ATOM 152 HB2 ALA 10 49.370 26.380 38.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
157 ATOM 153 HB3 ALA 10 49.520 27.880 37.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
158 ATOM 154 C ALA 10 48.830 29.560 39.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
159 ATOM 155 O ALA 10 49.480 30.150 40.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
160 ATOM 156 N ALA 11 48.250 30.100 38.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
161 ATOM 157 H ALA 11 47.850 29.520 37.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
162 ATOM 158 CA ALA 11 48.250 31.510 37.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
163 ATOM 159 HA ALA 11 49.260 31.900 37.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
164 ATOM 160 CB ALA 11 47.590 31.740 36.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
165 ATOM 161 HB1 ALA 11 47.580 32.810 36.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
166 ATOM 162 HB2 ALA 11 48.270 31.360 35.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
167 ATOM 163 HB3 ALA 11 46.580 31.330 36.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
168 ATOM 164 C ALA 11 47.560 32.390 38.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
169 ATOM 165 O ALA 11 48.120 33.340 39.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
170 ATOM 166 N MET 12 46.390 31.900 39.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
171 ATOM 167 H MET 12 46.210 31.070 38.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
172 ATOM 168 CA MET 12 45.510 32.300 40.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
173 ATOM 169 HA MET 12 45.260 33.340 40.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
174 ATOM 170 CB MET 12 44.270 31.410 40.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
175 ATOM 171 HB1 MET 12 44.590 30.380 40.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
176 ATOM 172 HB2 MET 12 43.670 31.560 41.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
177 ATOM 173 CG MET 12 43.340 31.850 39.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
178 ATOM 174 HG1 MET 12 43.220 32.940 39.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
179 ATOM 175 HG2 MET 12 43.810 31.550 38.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
180 ATOM 176 SD MET 12 41.750 30.990 39.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
181 ATOM 177 CE MET 12 40.900 32.190 38.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
182 ATOM 178 HE1 MET 12 41.570 32.650 37.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
183 ATOM 179 HE2 MET 12 40.040 31.680 37.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
184 ATOM 180 HE3 MET 12 40.360 32.880 38.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
185 ATOM 181 C MET 12 46.090 32.160 41.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
186 ATOM 182 O MET 12 45.840 33.020 42.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
187 ATOM 183 N LYS 13 46.880 31.110 42.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
188 ATOM 184 H LYS 13 47.070 30.490 41.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
189 ATOM 185 CA LYS 13 47.590 30.840 43.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
190 ATOM 186 HA LYS 13 46.870 30.840 44.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
191 ATOM 187 CB LYS 13 48.220 29.450 43.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
192 ATOM 188 HB1 LYS 13 47.530 28.660 42.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
193 ATOM 189 HB2 LYS 13 48.970 29.430 42.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
194 ATOM 190 CG LYS 13 48.990 29.110 44.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
195 ATOM 191 HG1 LYS 13 49.680 28.300 44.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
196 ATOM 192 HG2 LYS 13 49.700 29.890 44.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
197 ATOM 193 CD LYS 13 48.180 28.740 45.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
198 ATOM 194 HD1 LYS 13 48.760 29.050 46.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
199 ATOM 195 HD2 LYS 13 47.260 29.320 45.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
200 ATOM 196 CE LYS 13 47.740 27.280 45.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
201 ATOM 197 HE1 LYS 13 47.030 26.950 45.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
202 ATOM 198 HE2 LYS 13 48.620 26.660 45.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
203 ATOM 199 NZ LYS 13 47.280 26.820 47.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
204 ATOM 200 HZ1 LYS 13 46.820 25.920 47.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
205 ATOM 201 HZ2 LYS 13 47.990 26.670 47.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
206 ATOM 202 HZ3 LYS 13 46.570 27.440 47.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
207 ATOM 203 C LYS 13 48.630 31.920 43.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
208 ATOM 204 O LYS 13 48.800 32.440 44.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
209 ATOM 205 N ARG 14 49.350 32.380 42.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
210 ATOM 206 H ARG 14 49.150 31.960 41.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
211 ATOM 207 CA ARG 14 50.430 33.340 42.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
212 ATOM 208 HA ARG 14 51.060 33.040 43.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
213 ATOM 209 CB ARG 14 51.460 33.090 41.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
214 ATOM 210 HB1 ARG 14 52.460 33.160 41.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
215 ATOM 211 HB2 ARG 14 51.400 32.040 41.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
216 ATOM 212 CG ARG 14 51.440 33.850 40.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
217 ATOM 213 HG1 ARG 14 50.520 33.550 39.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
218 ATOM 214 HG2 ARG 14 51.390 34.900 40.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
219 ATOM 215 CD ARG 14 52.590 33.600 39.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
220 ATOM 216 HD1 ARG 14 52.490 34.080 38.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
221 ATOM 217 HD2 ARG 14 53.480 34.020 39.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
222 ATOM 218 NE ARG 14 52.810 32.170 38.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
223 ATOM 219 HE ARG 14 53.350 31.660 39.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
224 ATOM 220 CZ ARG 14 52.280 31.440 37.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
225 ATOM 221 NH1 ARG 14 51.720 31.990 36.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
226 ATOM 222 1HH1 ARG 14 51.740 32.960 36.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
227 ATOM 223 2HH1 ARG 14 51.120 31.360 36.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
228 ATOM 224 NH2 ARG 14 52.290 30.100 38.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
229 ATOM 225 1HH2 ARG 14 52.580 29.800 38.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
230 ATOM 226 2HH2 ARG 14 52.180 29.440 37.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
231 ATOM 227 C ARG 14 50.050 34.810 42.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
232 ATOM 228 O ARG 14 50.610 35.590 43.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
233 ATOM 229 N HIS 15 48.940 35.170 41.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
234 ATOM 230 H HIS 15 48.510 34.500 41.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
235 ATOM 231 CA HIS 15 48.400 36.490 42.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
236 ATOM 232 HA HIS 15 49.140 37.280 42.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
237 ATOM 233 CB HIS 15 47.620 36.880 40.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
238 ATOM 234 HB1 HIS 15 46.870 36.140 40.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
239 ATOM 235 HB2 HIS 15 46.960 37.720 41.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
240 ATOM 236 CG HIS 15 48.420 37.240 39.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
241 ATOM 237 ND1 HIS 15 48.380 36.550 38.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
242 ATOM 238 CD2 HIS 15 49.170 38.380 39.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
243 ATOM 239 HD2 HIS 15 49.410 39.200 40.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
244 ATOM 240 CE1 HIS 15 49.230 37.220 37.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
245 ATOM 241 HE1 HIS 15 49.360 36.930 36.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
246 ATOM 242 NE2 HIS 15 49.690 38.340 38.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
247 ATOM 243 HE2 HIS 15 50.050 39.170 37.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
248 ATOM 244 C HIS 15 47.620 36.530 43.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
249 ATOM 245 O HIS 15 47.280 37.610 43.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
250 ATOM 246 N GLY 16 47.260 35.380 44.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
251 ATOM 247 H GLY 16 47.500 34.560 43.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
252 ATOM 248 CA GLY 16 46.940 35.370 45.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
253 ATOM 249 HA1 GLY 16 47.240 34.480 46.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
254 ATOM 250 HA2 GLY 16 47.350 36.230 45.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
255 ATOM 251 C GLY 16 45.430 35.420 45.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
256 ATOM 252 O GLY 16 44.940 36.210 46.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
257 ATOM 253 N LEU 17 44.710 34.570 44.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
258 ATOM 254 H LEU 17 45.140 33.880 44.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
259 ATOM 255 CA LEU 17 43.270 34.450 45.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
260 ATOM 256 HA LEU 17 42.850 35.340 45.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
261 ATOM 257 CB LEU 17 42.590 34.360 43.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
262 ATOM 258 HB1 LEU 17 43.060 33.650 42.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
263 ATOM 259 HB2 LEU 17 41.570 34.000 43.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
264 ATOM 260 CG LEU 17 42.630 35.700 42.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
265 ATOM 261 HG LEU 17 43.670 36.000 42.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
266 ATOM 262 CD1 LEU 17 41.980 35.540 41.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
267 ATOM 263 1HD1 LEU 17 41.630 36.470 41.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
268 ATOM 264 2HD1 LEU 17 42.700 35.080 40.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
269 ATOM 265 3HD1 LEU 17 41.150 34.830 41.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
270 ATOM 266 CD2 LEU 17 41.860 36.850 43.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
271 ATOM 267 1HD2 LEU 17 41.960 37.740 42.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
272 ATOM 268 2HD2 LEU 17 40.790 36.660 43.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
273 ATOM 269 3HD2 LEU 17 42.250 37.120 44.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
274 ATOM 270 C LEU 17 42.730 33.360 45.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
275 ATOM 271 O LEU 17 41.570 33.330 46.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
276 ATOM 272 N ASP 18 43.640 32.450 46.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
277 ATOM 273 H ASP 18 44.590 32.600 45.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
278 ATOM 274 CA ASP 18 43.380 31.220 47.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
279 ATOM 275 HA ASP 18 42.470 30.750 46.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
280 ATOM 276 CB ASP 18 44.550 30.230 46.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
281 ATOM 277 HB1 ASP 18 44.800 29.970 45.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
282 ATOM 278 HB2 ASP 18 45.410 30.710 47.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
283 ATOM 279 CG ASP 18 44.260 28.960 47.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
284 ATOM 280 OD1 ASP 18 43.100 28.550 48.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
285 ATOM 281 OD2 ASP 18 45.290 28.360 48.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
286 ATOM 282 C ASP 18 43.110 31.600 48.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
287 ATOM 283 O ASP 18 44.010 31.970 49.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
288 ATOM 284 N ASN 19 41.840 31.630 48.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
289 ATOM 285 H ASN 19 41.150 31.310 48.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
290 ATOM 286 CA ASN 19 41.300 31.970 50.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
291 ATOM 287 HA ASN 19 40.390 31.370 50.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
292 ATOM 288 CB ASN 19 42.120 31.490 51.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
293 ATOM 289 HB1 ASN 19 42.490 30.460 51.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
294 ATOM 290 HB2 ASN 19 43.010 32.110 51.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
295 ATOM 291 CG ASN 19 41.340 31.490 52.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
296 ATOM 292 OD1 ASN 19 40.320 30.830 52.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
297 ATOM 293 ND2 ASN 19 41.690 32.270 53.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
298 ATOM 294 1HD2 ASN 19 42.500 32.800 53.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
299 ATOM 295 2HD2 ASN 19 41.040 32.560 54.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
300 ATOM 296 C ASN 19 40.910 33.440 50.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
301 ATOM 297 O ASN 19 40.550 33.900 51.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
302 ATOM 298 N TYR 20 41.120 34.180 49.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
303 ATOM 299 H TYR 20 41.280 33.690 48.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
304 ATOM 300 CA TYR 20 40.950 35.620 49.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
305 ATOM 301 HA TYR 20 41.560 36.070 49.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
306 ATOM 302 CB TYR 20 41.400 36.240 47.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
307 ATOM 303 HB1 TYR 20 42.410 35.910 47.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
308 ATOM 304 HB2 TYR 20 40.760 35.970 46.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
309 ATOM 305 CG TYR 20 41.360 37.750 47.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
310 ATOM 306 CD1 TYR 20 42.500 38.420 48.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
311 ATOM 307 HD1 TYR 20 43.410 37.900 48.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
312 ATOM 308 CD2 TYR 20 40.210 38.450 47.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
313 ATOM 309 HD2 TYR 20 39.320 37.940 47.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
314 ATOM 310 CE1 TYR 20 42.560 39.820 48.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
315 ATOM 311 HE1 TYR 20 43.460 40.380 48.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
316 ATOM 312 CE2 TYR 20 40.230 39.850 47.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
317 ATOM 313 HE2 TYR 20 39.320 40.360 47.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
318 ATOM 314 CZ TYR 20 41.400 40.540 48.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
319 ATOM 315 OH TYR 20 41.400 41.900 48.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
320 ATOM 316 HH TYR 20 42.130 42.270 48.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
321 ATOM 317 C TYR 20 39.490 35.970 49.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
322 ATOM 318 O TYR 20 38.560 35.500 48.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
323 ATOM 319 N ARG 21 39.170 36.760 50.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
324 ATOM 320 H ARG 21 39.890 37.290 50.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
325 ATOM 321 CA ARG 21 37.890 37.010 51.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
326 ATOM 322 HA ARG 21 38.210 37.680 51.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
327 ATOM 323 CB ARG 21 37.010 37.820 50.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
328 ATOM 324 HB1 ARG 21 36.990 37.390 49.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
329 ATOM 325 HB2 ARG 21 36.010 37.750 50.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
330 ATOM 326 CG ARG 21 37.450 39.260 49.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
331 ATOM 327 HG1 ARG 21 38.360 39.260 49.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
332 ATOM 328 HG2 ARG 21 36.610 39.740 49.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
333 ATOM 329 CD ARG 21 37.660 40.170 51.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
334 ATOM 330 HD1 ARG 21 37.110 41.050 50.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
335 ATOM 331 HD2 ARG 21 37.150 39.750 51.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
336 ATOM 332 NE ARG 21 39.080 40.510 51.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
337 ATOM 333 HE ARG 21 39.700 39.750 51.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
338 ATOM 334 CZ ARG 21 39.620 41.740 51.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
339 ATOM 335 NH1 ARG 21 40.910 41.900 51.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
340 ATOM 336 1HH1 ARG 21 41.500 41.080 51.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
341 ATOM 337 2HH1 ARG 21 41.160 42.730 52.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
342 ATOM 338 NH2 ARG 21 38.990 42.840 50.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
343 ATOM 339 1HH2 ARG 21 38.260 42.690 50.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
344 ATOM 340 2HH2 ARG 21 39.340 43.780 50.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
345 ATOM 341 C ARG 21 37.170 35.790 51.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
346 ATOM 342 O ARG 21 35.980 35.840 51.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
347 ATOM 343 N GLY 22 37.900 34.670 51.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
348 ATOM 344 H GLY 22 38.870 34.730 51.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
349 ATOM 345 CA GLY 22 37.350 33.400 52.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
350 ATOM 346 HA1 GLY 22 38.080 33.120 52.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
351 ATOM 347 HA2 GLY 22 36.380 33.380 52.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
352 ATOM 348 C GLY 22 37.240 32.400 50.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
353 ATOM 349 O GLY 22 37.100 31.200 51.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
354 ATOM 350 N TYR 23 37.450 32.780 49.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
355 ATOM 351 H TYR 23 37.530 33.770 49.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
356 ATOM 352 CA TYR 23 37.160 32.010 48.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
357 ATOM 353 HA TYR 23 36.450 31.220 48.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
358 ATOM 354 CB TYR 23 36.550 32.980 47.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
359 ATOM 355 HB1 TYR 23 37.140 33.890 47.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
360 ATOM 356 HB2 TYR 23 36.480 32.630 46.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
361 ATOM 357 CG TYR 23 35.190 33.480 47.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
362 ATOM 358 CD1 TYR 23 34.060 32.670 47.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
363 ATOM 359 HD1 TYR 23 34.160 31.620 47.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
364 ATOM 360 CD2 TYR 23 35.020 34.820 48.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
365 ATOM 361 HD2 TYR 23 35.900 35.440 48.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
366 ATOM 362 CE1 TYR 23 32.770 33.150 48.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
367 ATOM 363 HE1 TYR 23 31.900 32.540 47.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
368 ATOM 364 CE2 TYR 23 33.730 35.330 48.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
369 ATOM 365 HE2 TYR 23 33.610 36.360 48.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
370 ATOM 366 CZ TYR 23 32.610 34.490 48.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
371 ATOM 367 OH TYR 23 31.350 34.970 48.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
372 ATOM 368 HH TYR 23 31.160 35.250 49.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
373 ATOM 369 C TYR 23 38.420 31.250 48.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
374 ATOM 370 O TYR 23 39.350 31.850 47.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
375 ATOM 371 N SER 24 38.380 29.950 48.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
376 ATOM 372 H SER 24 37.490 29.630 48.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
377 ATOM 373 CA SER 24 39.270 28.880 48.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
378 ATOM 374 HA SER 24 40.300 29.050 48.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
379 ATOM 375 CB SER 24 38.730 27.640 48.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
380 ATOM 376 HB1 SER 24 39.320 26.800 48.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
381 ATOM 377 HB2 SER 24 39.020 27.650 49.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
382 ATOM 378 OG SER 24 37.340 27.440 48.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
383 ATOM 379 HG SER 24 37.150 26.630 49.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
384 ATOM 380 C SER 24 39.310 28.800 46.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
385 ATOM 381 O SER 24 38.270 28.740 45.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
386 ATOM 382 N LEU 25 40.530 28.710 46.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
387 ATOM 383 H LEU 25 41.290 28.630 46.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
388 ATOM 384 CA LEU 25 40.990 28.680 44.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
389 ATOM 385 HA LEU 25 41.100 29.730 44.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
390 ATOM 386 CB LEU 25 42.370 28.010 44.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
391 ATOM 387 HB1 LEU 25 43.020 28.590 45.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
392 ATOM 388 HB2 LEU 25 42.240 27.040 45.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
393 ATOM 389 CG LEU 25 43.170 27.830 43.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
394 ATOM 390 HG LEU 25 42.580 27.230 42.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
395 ATOM 391 CD1 LEU 25 43.500 29.150 42.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
396 ATOM 392 1HD1 LEU 25 43.800 28.940 41.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
397 ATOM 393 2HD1 LEU 25 42.670 29.860 42.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
398 ATOM 394 3HD1 LEU 25 44.240 29.670 43.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
399 ATOM 395 CD2 LEU 25 44.470 27.100 43.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
400 ATOM 396 1HD2 LEU 25 44.950 26.890 42.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
401 ATOM 397 2HD2 LEU 25 45.110 27.690 44.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
402 ATOM 398 3HD2 LEU 25 44.340 26.120 44.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
403 ATOM 399 C LEU 25 40.040 28.070 43.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
404 ATOM 400 O LEU 25 39.780 28.710 42.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
405 ATOM 401 N GLY 26 39.550 26.840 43.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
406 ATOM 402 H GLY 26 39.770 26.520 44.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
407 ATOM 403 CA GLY 26 38.530 26.080 43.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
408 ATOM 404 HA1 GLY 26 39.070 25.520 42.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
409 ATOM 405 HA2 GLY 26 38.100 25.380 43.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
410 ATOM 406 C GLY 26 37.360 26.870 42.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
411 ATOM 407 O GLY 26 37.000 26.710 41.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
412 ATOM 408 N ASN 27 36.830 27.790 43.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
413 ATOM 409 H ASN 27 37.380 27.840 44.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
414 ATOM 410 CA ASN 27 35.750 28.740 43.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
415 ATOM 411 HA ASN 27 34.880 28.160 42.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
416 ATOM 412 CB ASN 27 35.460 29.580 44.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
417 ATOM 413 HB1 ASN 27 36.360 30.030 44.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
418 ATOM 414 HB2 ASN 27 34.860 30.460 44.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
419 ATOM 415 CG ASN 27 34.660 28.900 45.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
420 ATOM 416 OD1 ASN 27 33.470 28.660 45.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
421 ATOM 417 ND2 ASN 27 35.300 28.510 46.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
422 ATOM 418 1HD2 ASN 27 36.230 28.840 46.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
423 ATOM 419 2HD2 ASN 27 34.850 27.970 47.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
424 ATOM 420 C ASN 27 36.020 29.730 42.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
425 ATOM 421 O ASN 27 35.130 29.890 41.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
426 ATOM 422 N TRP 28 37.280 30.170 42.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
427 ATOM 423 H TRP 28 37.940 29.800 42.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
428 ATOM 424 CA TRP 28 37.700 31.100 41.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
429 ATOM 425 HA TRP 28 36.940 31.830 40.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
430 ATOM 426 CB TRP 28 39.000 31.700 41.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
431 ATOM 427 HB1 TRP 28 39.700 30.890 41.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
432 ATOM 428 HB2 TRP 28 39.380 32.350 40.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
433 ATOM 429 CG TRP 28 38.920 32.540 42.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
434 ATOM 430 CD1 TRP 28 39.080 32.030 44.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
435 ATOM 431 HD1 TRP 28 39.310 31.010 44.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
436 ATOM 432 CD2 TRP 28 38.610 33.960 42.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
437 ATOM 433 NE1 TRP 28 38.810 32.990 45.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
438 ATOM 434 HE1 TRP 28 39.050 32.800 45.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
439 ATOM 435 CE2 TRP 28 38.550 34.190 44.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
440 ATOM 436 CE3 TRP 28 38.400 35.040 42.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
441 ATOM 437 HE3 TRP 28 38.500 34.930 41.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
442 ATOM 438 CZ2 TRP 28 38.120 35.420 44.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
443 ATOM 439 HZ2 TRP 28 38.040 35.590 45.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
444 ATOM 440 CZ3 TRP 28 38.100 36.320 42.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
445 ATOM 441 HZ3 TRP 28 37.880 37.160 41.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
446 ATOM 442 CH2 TRP 28 37.940 36.450 43.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
447 ATOM 443 HH2 TRP 28 37.700 37.420 44.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
448 ATOM 444 C TRP 28 38.040 30.310 39.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
449 ATOM 445 O TRP 28 37.670 30.780 38.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
450 ATOM 446 N VAL 29 38.600 29.100 39.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
451 ATOM 447 H VAL 29 38.940 28.700 40.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
452 ATOM 448 CA VAL 29 38.740 28.210 38.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
453 ATOM 449 HA VAL 29 39.290 28.890 38.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
454 ATOM 450 CB VAL 29 39.790 27.150 39.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
455 ATOM 451 HB VAL 29 39.380 26.550 39.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
456 ATOM 452 CG1 VAL 29 40.060 26.120 37.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
457 ATOM 453 1HG1 VAL 29 40.560 25.230 38.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
458 ATOM 454 2HG1 VAL 29 39.060 25.760 37.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
459 ATOM 455 3HG1 VAL 29 40.590 26.590 37.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
460 ATOM 456 CG2 VAL 29 41.130 27.610 39.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
461 ATOM 457 1HG2 VAL 29 41.790 26.770 39.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
462 ATOM 458 2HG2 VAL 29 41.600 28.230 38.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
463 ATOM 459 3HG2 VAL 29 41.110 28.180 40.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
464 ATOM 460 C VAL 29 37.400 27.830 38.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
465 ATOM 461 O VAL 29 37.260 27.750 36.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
466 ATOM 462 N CYS 30 36.400 27.530 38.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
467 ATOM 463 H CYS 30 36.710 27.430 39.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
468 ATOM 464 CA CYS 30 35.030 27.190 38.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
469 ATOM 465 HA CYS 30 34.950 26.270 38.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
470 ATOM 466 CB CYS 30 34.240 26.800 39.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
471 ATOM 467 HB1 CYS 30 34.750 26.090 40.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
472 ATOM 468 HB2 CYS 30 34.230 27.600 40.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
473 ATOM 469 SG CYS 30 32.530 26.260 39.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
474 ATOM 470 C CYS 30 34.350 28.340 37.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
475 ATOM 471 O CYS 30 33.800 28.100 36.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
476 ATOM 472 N ALA 31 34.410 29.530 38.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
477 ATOM 473 H ALA 31 34.880 29.650 39.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
478 ATOM 474 CA ALA 31 33.880 30.770 37.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
479 ATOM 475 HA ALA 31 32.830 30.610 37.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
480 ATOM 476 CB ALA 31 33.930 31.870 39.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
481 ATOM 477 HB1 ALA 31 33.120 32.590 38.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
482 ATOM 478 HB2 ALA 31 33.750 31.560 40.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
483 ATOM 479 HB3 ALA 31 34.900 32.340 38.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
484 ATOM 480 C ALA 31 34.620 31.210 36.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
485 ATOM 481 O ALA 31 33.970 31.860 35.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
486 ATOM 482 N ALA 32 35.910 30.930 36.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
487 ATOM 483 H ALA 32 36.500 30.720 37.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
488 ATOM 484 CA ALA 32 36.630 31.100 35.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
489 ATOM 485 HA ALA 32 36.410 32.130 34.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
490 ATOM 486 CB ALA 32 38.130 31.120 35.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
491 ATOM 487 HB1 ALA 32 38.740 31.190 34.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
492 ATOM 488 HB2 ALA 32 38.350 31.990 36.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
493 ATOM 489 HB3 ALA 32 38.460 30.310 36.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
494 ATOM 490 C ALA 32 36.360 30.110 34.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
495 ATOM 491 O ALA 32 36.350 30.410 32.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
496 ATOM 492 N LYS 33 35.840 28.950 34.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
497 ATOM 493 H LYS 33 35.870 28.660 35.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
498 ATOM 494 CA LYS 33 35.370 27.950 33.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
499 ATOM 495 HA LYS 33 36.030 27.960 32.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
500 ATOM 496 CB LYS 33 35.290 26.580 34.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
501 ATOM 497 HB1 LYS 33 36.230 26.310 34.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
502 ATOM 498 HB2 LYS 33 34.700 26.420 35.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
503 ATOM 499 CG LYS 33 34.710 25.460 33.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
504 ATOM 500 HG1 LYS 33 34.540 24.550 33.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
505 ATOM 501 HG2 LYS 33 33.700 25.730 33.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
506 ATOM 502 CD LYS 33 35.540 25.070 32.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
507 ATOM 503 HD1 LYS 33 35.960 25.990 31.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
508 ATOM 504 HD2 LYS 33 36.360 24.530 32.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
509 ATOM 505 CE LYS 33 34.730 24.250 31.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
510 ATOM 506 HE1 LYS 33 34.410 23.330 31.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
511 ATOM 507 HE2 LYS 33 33.930 24.880 30.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
512 ATOM 508 NZ LYS 33 35.520 23.770 30.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
513 ATOM 509 HZ1 LYS 33 35.610 22.780 29.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
514 ATOM 510 HZ2 LYS 33 35.100 24.110 29.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
515 ATOM 511 HZ3 LYS 33 36.490 24.070 30.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
516 ATOM 512 C LYS 33 34.000 28.350 33.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
517 ATOM 513 O LYS 33 33.780 28.400 31.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
518 ATOM 514 N PHE 34 33.080 28.580 34.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
519 ATOM 515 H PHE 34 33.260 28.600 35.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
520 ATOM 516 CA PHE 34 31.700 28.710 33.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
521 ATOM 517 HA PHE 34 31.490 28.000 32.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
522 ATOM 518 CB PHE 34 30.790 28.310 34.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
523 ATOM 519 HB1 PHE 34 31.060 28.860 35.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
524 ATOM 520 HB2 PHE 34 29.740 28.450 34.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
525 ATOM 521 CG PHE 34 30.800 26.810 34.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
526 ATOM 522 CD1 PHE 34 30.230 26.010 33.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
527 ATOM 523 HD1 PHE 34 29.720 26.470 33.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
528 ATOM 524 CD2 PHE 34 31.240 26.220 36.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
529 ATOM 525 HD2 PHE 34 31.530 26.810 36.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
530 ATOM 526 CE1 PHE 34 30.280 24.610 34.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
531 ATOM 527 HE1 PHE 34 29.830 24.040 33.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
532 ATOM 528 CE2 PHE 34 31.290 24.820 36.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
533 ATOM 529 HE2 PHE 34 31.490 24.310 37.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
534 ATOM 530 CZ PHE 34 30.810 24.010 35.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
535 ATOM 531 HZ PHE 34 30.850 22.940 35.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
536 ATOM 532 C PHE 34 31.350 30.050 32.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
537 ATOM 533 O PHE 34 30.430 30.130 32.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
538 ATOM 534 N GLU 35 32.130 31.110 33.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
539 ATOM 535 H GLU 35 32.860 31.050 33.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
540 ATOM 536 CA GLU 35 31.880 32.400 32.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
541 ATOM 537 HA GLU 35 30.810 32.500 32.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
542 ATOM 538 CB GLU 35 32.440 33.460 33.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
543 ATOM 539 HB1 GLU 35 33.510 33.280 33.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
544 ATOM 540 HB2 GLU 35 32.330 34.430 33.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
545 ATOM 541 CG GLU 35 31.630 33.540 34.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
546 ATOM 542 HG1 GLU 35 31.560 32.570 35.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
547 ATOM 543 HG2 GLU 35 32.360 34.080 35.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
548 ATOM 544 CD GLU 35 30.360 34.370 35.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
549 ATOM 545 OE1 GLU 35 29.900 34.980 34.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
550 ATOM 546 OE2 GLU 35 29.680 34.340 36.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
551 ATOM 547 C GLU 35 32.550 32.510 31.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
552 ATOM 548 O GLU 35 32.040 33.280 30.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
553 ATOM 549 N SER 36 33.690 31.860 31.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
554 ATOM 550 H SER 36 34.040 31.140 31.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
555 ATOM 551 CA SER 36 34.490 32.100 29.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
556 ATOM 552 HA SER 36 33.830 32.550 29.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
557 ATOM 553 CB SER 36 35.570 33.140 30.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
558 ATOM 554 HB1 SER 36 36.010 33.620 29.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
559 ATOM 555 HB2 SER 36 35.130 33.940 30.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
560 ATOM 556 OG SER 36 36.590 32.560 30.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
561 ATOM 557 HG SER 36 36.460 32.850 31.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
562 ATOM 558 C SER 36 34.990 30.860 29.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
563 ATOM 559 O SER 36 35.380 31.070 27.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
564 ATOM 560 N ASN 37 35.160 29.700 29.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
565 ATOM 561 H ASN 37 34.630 29.530 30.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
566 ATOM 562 CA ASN 37 35.780 28.530 29.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
567 ATOM 563 HA ASN 37 35.520 27.770 29.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
568 ATOM 564 CB ASN 37 35.110 28.090 27.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
569 ATOM 565 HB1 ASN 37 34.060 28.370 27.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
570 ATOM 566 HB2 ASN 37 35.570 28.540 26.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
571 ATOM 567 CG ASN 37 35.190 26.580 27.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
572 ATOM 568 OD1 ASN 37 34.800 25.800 28.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
573 ATOM 569 ND2 ASN 37 35.840 26.130 26.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
574 ATOM 570 1HD2 ASN 37 36.050 26.810 25.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
575 ATOM 571 2HD2 ASN 37 35.920 25.160 26.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
576 ATOM 572 C ASN 37 37.300 28.650 29.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
577 ATOM 573 O ASN 37 37.920 27.960 28.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
578 ATOM 574 N PHE 38 37.920 29.420 30.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
579 ATOM 575 H PHE 38 37.320 29.860 30.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
580 ATOM 576 CA PHE 38 39.340 29.630 30.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
581 ATOM 577 HA PHE 38 39.150 30.190 31.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
582 ATOM 578 CB PHE 38 40.060 28.300 30.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
583 ATOM 579 HB1 PHE 38 40.140 27.630 29.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
584 ATOM 580 HB2 PHE 38 41.070 28.600 30.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
585 ATOM 581 CG PHE 38 39.650 27.480 31.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
586 ATOM 582 CD1 PHE 38 39.170 28.000 32.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
587 ATOM 583 HD1 PHE 38 39.070 29.070 32.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
588 ATOM 584 CD2 PHE 38 39.700 26.090 31.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
589 ATOM 585 HD2 PHE 38 40.080 25.780 30.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
590 ATOM 586 CE1 PHE 38 38.800 27.190 33.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
591 ATOM 587 HE1 PHE 38 38.520 27.620 34.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
592 ATOM 588 CE2 PHE 38 39.360 25.230 32.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
593 ATOM 589 HE2 PHE 38 39.370 24.150 32.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
594 ATOM 590 CZ PHE 38 38.860 25.800 33.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
595 ATOM 591 HZ PHE 38 38.520 25.150 34.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
596 ATOM 592 C PHE 38 40.060 30.570 29.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
597 ATOM 593 O PHE 38 41.290 30.600 29.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
598 ATOM 594 N ASN 39 39.250 31.240 28.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
599 ATOM 595 H ASN 39 38.250 31.110 28.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
600 ATOM 596 CA ASN 39 39.560 32.060 27.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
601 ATOM 597 HA ASN 39 40.460 31.650 26.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
602 ATOM 598 CB ASN 39 38.390 31.940 26.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
603 ATOM 599 HB1 ASN 39 38.050 30.920 26.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
604 ATOM 600 HB2 ASN 39 37.510 32.390 26.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
605 ATOM 601 CG ASN 39 38.630 32.660 24.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
606 ATOM 602 OD1 ASN 39 39.770 32.780 24.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
607 ATOM 603 ND2 ASN 39 37.590 33.230 24.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
608 ATOM 604 1HD2 ASN 39 36.660 32.900 24.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
609 ATOM 605 2HD2 ASN 39 37.700 33.740 23.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
610 ATOM 606 C ASN 39 39.700 33.480 27.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
611 ATOM 607 O ASN 39 38.700 34.060 28.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
612 ATOM 608 N THR 40 40.880 34.120 27.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
613 ATOM 609 H THR 40 41.610 33.630 27.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
614 ATOM 610 CA THR 40 41.090 35.510 28.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
615 ATOM 611 HA THR 40 40.670 35.660 29.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
616 ATOM 612 CB THR 40 42.600 35.750 28.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
617 ATOM 613 HB THR 40 42.770 36.780 28.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
618 ATOM 614 OG1 THR 40 43.130 35.460 26.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
619 ATOM 615 HG1 THR 40 43.420 36.230 26.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
620 ATOM 616 CG2 THR 40 43.330 34.860 29.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
621 ATOM 617 1HG2 THR 40 44.400 35.090 29.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
622 ATOM 618 2HG2 THR 40 43.140 34.910 30.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
623 ATOM 619 3HG2 THR 40 43.180 33.820 28.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
624 ATOM 620 C THR 40 40.450 36.390 27.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
625 ATOM 621 O THR 40 40.170 37.490 27.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
626 ATOM 622 N GLN 41 40.190 36.030 25.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
627 ATOM 623 H GLN 41 40.280 35.050 25.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
628 ATOM 624 CA GLN 41 39.660 36.950 24.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
629 ATOM 625 HA GLN 41 40.060 37.940 25.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
630 ATOM 626 CB GLN 41 40.140 36.410 23.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
631 ATOM 627 HB1 GLN 41 39.870 35.360 23.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
632 ATOM 628 HB2 GLN 41 39.590 36.840 22.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
633 ATOM 629 CG GLN 41 41.640 36.630 23.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
634 ATOM 630 HG1 GLN 41 42.270 36.510 24.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
635 ATOM 631 HG2 GLN 41 41.990 35.900 22.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
636 ATOM 632 CD GLN 41 41.810 38.030 22.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
637 ATOM 633 OE1 GLN 41 41.930 38.040 21.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
638 ATOM 634 NE2 GLN 41 41.970 39.150 23.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
639 ATOM 635 1HE2 GLN 41 42.010 39.170 24.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
640 ATOM 636 2HE2 GLN 41 42.280 39.900 22.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
641 ATOM 637 C GLN 41 38.140 37.080 24.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
642 ATOM 638 O GLN 41 37.580 37.820 23.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
643 ATOM 639 N ALA 42 37.450 36.410 25.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
644 ATOM 640 H ALA 42 37.950 35.870 26.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
645 ATOM 641 CA ALA 42 36.020 36.230 25.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
646 ATOM 642 HA ALA 42 35.740 35.710 24.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
647 ATOM 643 CB ALA 42 35.610 35.380 26.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
648 ATOM 644 HB1 ALA 42 34.520 35.300 27.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
649 ATOM 645 HB2 ALA 42 35.840 34.320 26.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
650 ATOM 646 HB3 ALA 42 35.940 35.780 27.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
651 ATOM 647 C ALA 42 35.300 37.570 25.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
652 ATOM 648 O ALA 42 35.590 38.370 26.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
653 ATOM 649 N THR 43 34.210 37.770 25.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
654 ATOM 650 H THR 43 34.020 37.110 24.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
655 ATOM 651 CA THR 43 33.410 38.980 25.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
656 ATOM 652 HA THR 43 33.510 39.510 25.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
657 ATOM 653 CB THR 43 33.830 39.920 23.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
658 ATOM 654 HB THR 43 33.030 40.630 23.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
659 ATOM 655 OG1 THR 43 33.920 39.340 22.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
660 ATOM 656 HG1 THR 43 33.050 39.020 22.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
661 ATOM 657 CG2 THR 43 35.110 40.720 24.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
662 ATOM 658 1HG2 THR 43 35.130 41.600 23.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
663 ATOM 659 2HG2 THR 43 35.220 41.180 25.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
664 ATOM 660 3HG2 THR 43 36.060 40.250 23.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
665 ATOM 661 C THR 43 31.960 38.510 24.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
666 ATOM 662 O THR 43 31.610 37.450 24.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
667 ATOM 663 N ASN 44 31.010 39.160 25.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
668 ATOM 664 H ASN 44 31.220 39.900 26.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
669 ATOM 665 CA ASN 44 29.580 38.900 25.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
670 ATOM 666 HA ASN 44 29.320 38.450 24.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
671 ATOM 667 CB ASN 44 29.280 37.870 26.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
672 ATOM 668 HB1 ASN 44 29.790 36.940 26.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
673 ATOM 669 HB2 ASN 44 29.830 38.360 27.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
674 ATOM 670 CG ASN 44 27.820 37.640 27.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
675 ATOM 671 OD1 ASN 44 27.110 37.040 26.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
676 ATOM 672 ND2 ASN 44 27.330 38.170 28.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
677 ATOM 673 1HD2 ASN 44 27.850 38.760 28.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
678 ATOM 674 2HD2 ASN 44 26.390 37.880 28.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
679 ATOM 675 C ASN 44 28.820 40.210 25.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
680 ATOM 676 O ASN 44 29.010 41.000 26.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
681 ATOM 677 N ARG 45 27.960 40.430 24.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
682 ATOM 678 H ARG 45 27.530 39.720 24.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
683 ATOM 679 CA ARG 45 27.190 41.650 24.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
684 ATOM 680 HA ARG 45 27.750 42.530 25.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
685 ATOM 681 CB ARG 45 26.910 41.930 23.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
686 ATOM 682 HB1 ARG 45 27.860 42.080 22.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
687 ATOM 683 HB2 ARG 45 26.460 41.060 22.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
688 ATOM 684 CG ARG 45 26.040 43.130 22.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
689 ATOM 685 HG1 ARG 45 25.800 43.190 21.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
690 ATOM 686 HG2 ARG 45 25.040 43.170 23.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
691 ATOM 687 CD ARG 45 26.720 44.460 23.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
692 ATOM 688 HD1 ARG 45 26.000 45.130 23.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
693 ATOM 689 HD2 ARG 45 27.550 44.410 23.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
694 ATOM 690 NE ARG 45 27.310 45.060 22.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
695 ATOM 691 HE ARG 45 28.240 44.750 21.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
696 ATOM 692 CZ ARG 45 26.790 46.020 21.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
697 ATOM 693 NH1 ARG 45 25.570 46.510 21.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
698 ATOM 694 1HH1 ARG 45 24.980 46.130 22.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
699 ATOM 695 2HH1 ARG 45 25.110 47.230 20.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
700 ATOM 696 NH2 ARG 45 27.550 46.530 20.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
701 ATOM 697 1HH2 ARG 45 28.420 46.150 19.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
702 ATOM 698 2HH2 ARG 45 27.140 47.250 19.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
703 ATOM 699 C ARG 45 25.870 41.600 25.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
704 ATOM 700 O ARG 45 25.230 40.550 25.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
705 ATOM 701 N ASN 46 25.420 42.700 26.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
706 ATOM 702 H ASN 46 25.960 43.560 26.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
707 ATOM 703 CA ASN 46 24.330 42.760 27.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
708 ATOM 704 HA ASN 46 23.960 41.740 27.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
709 ATOM 705 CB ASN 46 24.840 43.150 28.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
710 ATOM 706 HB1 ASN 46 25.190 44.180 28.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
711 ATOM 707 HB2 ASN 46 24.120 43.040 29.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
712 ATOM 708 CG ASN 46 26.050 42.400 29.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
713 ATOM 709 OD1 ASN 46 27.130 42.980 29.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
714 ATOM 710 ND2 ASN 46 25.910 41.150 29.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
715 ATOM 711 1HD2 ASN 46 25.090 40.570 29.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
716 ATOM 712 2HD2 ASN 46 26.780 40.720 29.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
717 ATOM 713 C ASN 46 23.240 43.670 26.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
718 ATOM 714 O ASN 46 23.630 44.670 25.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
719 ATOM 715 N THR 47 21.980 43.400 26.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
720 ATOM 716 H THR 47 21.750 42.640 27.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
721 ATOM 717 CA THR 47 20.830 44.230 26.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
722 ATOM 718 HA THR 47 20.690 44.160 25.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
723 ATOM 719 CB THR 47 19.590 43.580 27.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
724 ATOM 720 HB THR 47 18.770 44.290 27.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
725 ATOM 721 OG1 THR 47 19.760 43.410 28.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
726 ATOM 722 HG1 THR 47 19.040 42.920 28.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
727 ATOM 723 CG2 THR 47 19.170 42.270 26.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
728 ATOM 724 1HG2 THR 47 18.420 41.640 27.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
729 ATOM 725 2HG2 THR 47 18.860 42.460 25.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
730 ATOM 726 3HG2 THR 47 19.950 41.510 26.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
731 ATOM 727 C THR 47 21.000 45.720 26.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
732 ATOM 728 O THR 47 20.880 46.580 25.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
733 ATOM 729 N ASP 48 21.440 46.040 28.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
734 ATOM 730 H ASP 48 21.570 45.330 28.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
735 ATOM 731 CA ASP 48 21.630 47.400 28.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
736 ATOM 732 HA ASP 48 20.630 47.820 28.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
737 ATOM 733 CB ASP 48 21.940 47.340 30.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
738 ATOM 734 HB1 ASP 48 21.860 48.270 30.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
739 ATOM 735 HB2 ASP 48 21.140 46.750 30.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
740 ATOM 736 CG ASP 48 23.260 46.770 30.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
741 ATOM 737 OD1 ASP 48 23.970 46.000 29.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
742 ATOM 738 OD2 ASP 48 23.550 47.170 31.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
743 ATOM 739 C ASP 48 22.720 48.240 27.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
744 ATOM 740 O ASP 48 23.050 49.290 28.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
745 ATOM 741 N GLY 49 23.480 47.610 26.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
746 ATOM 742 H GLY 49 23.220 46.660 26.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
747 ATOM 743 CA GLY 49 24.390 48.270 26.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
748 ATOM 744 HA1 GLY 49 24.080 48.140 25.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
749 ATOM 745 HA2 GLY 49 24.360 49.350 26.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
750 ATOM 746 C GLY 49 25.810 47.770 26.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
751 ATOM 747 O GLY 49 26.670 47.920 25.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
752 ATOM 748 N SER 50 26.100 47.260 27.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
753 ATOM 749 H SER 50 25.350 47.140 28.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
754 ATOM 750 CA SER 50 27.390 47.000 28.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
755 ATOM 751 HA SER 50 27.880 47.940 27.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
756 ATOM 752 CB SER 50 27.230 46.910 29.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
757 ATOM 753 HB1 SER 50 28.260 46.990 29.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
758 ATOM 754 HB2 SER 50 26.530 47.660 29.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
759 ATOM 755 OG SER 50 26.510 45.830 30.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
760 ATOM 756 HG SER 50 25.620 45.900 29.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
761 ATOM 757 C SER 50 28.000 45.770 27.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
762 ATOM 758 O SER 50 27.470 45.120 26.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
763 ATOM 759 N THR 51 29.230 45.340 27.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
764 ATOM 760 H THR 51 29.800 45.960 28.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
765 ATOM 761 CA THR 51 29.870 44.100 27.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
766 ATOM 762 HA THR 51 29.100 43.360 27.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
767 ATOM 763 CB THR 51 30.720 44.430 26.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
768 ATOM 764 HB THR 51 31.340 45.280 26.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
769 ATOM 765 OG1 THR 51 29.870 44.790 25.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
770 ATOM 766 HG1 THR 51 29.040 45.010 25.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
771 ATOM 767 CG2 THR 51 31.540 43.200 25.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
772 ATOM 768 1HG2 THR 51 32.220 43.460 24.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
773 ATOM 769 2HG2 THR 51 32.240 42.890 26.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
774 ATOM 770 3HG2 THR 51 30.930 42.370 25.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
775 ATOM 771 C THR 51 30.540 43.550 28.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
776 ATOM 772 O THR 51 31.170 44.270 29.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
777 ATOM 773 N ASP 52 30.410 42.230 28.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
778 ATOM 774 H ASP 52 29.880 41.700 28.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
779 ATOM 775 CA ASP 52 31.180 41.510 29.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
780 ATOM 776 HA ASP 52 31.260 42.130 30.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
781 ATOM 777 CB ASP 52 30.450 40.250 30.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
782 ATOM 778 HB1 ASP 52 30.410 39.510 29.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
783 ATOM 779 HB2 ASP 52 31.050 39.840 31.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
784 ATOM 780 CG ASP 52 29.090 40.410 30.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
785 ATOM 781 OD1 ASP 52 28.880 41.320 31.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
786 ATOM 782 OD2 ASP 52 28.200 39.630 30.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
787 ATOM 783 C ASP 52 32.530 41.140 29.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
788 ATOM 784 O ASP 52 32.500 40.550 28.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
789 ATOM 785 N TYR 53 33.680 41.570 29.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
790 ATOM 786 H TYR 53 33.710 42.100 30.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
791 ATOM 787 CA TYR 53 35.010 41.260 29.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
792 ATOM 788 HA TYR 53 35.110 40.840 28.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
793 ATOM 789 CB TYR 53 35.790 42.540 28.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
794 ATOM 790 HB1 TYR 53 35.980 43.100 29.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
795 ATOM 791 HB2 TYR 53 36.800 42.220 28.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
796 ATOM 792 CG TYR 53 35.320 43.500 27.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
797 ATOM 793 CD1 TYR 53 35.920 43.620 26.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
798 ATOM 794 HD1 TYR 53 36.730 42.980 26.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
799 ATOM 795 CD2 TYR 53 34.390 44.480 28.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
800 ATOM 796 HD2 TYR 53 33.980 44.560 29.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
801 ATOM 797 CE1 TYR 53 35.500 44.530 25.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
802 ATOM 798 HE1 TYR 53 35.930 44.500 24.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
803 ATOM 799 CE2 TYR 53 33.970 45.400 27.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
804 ATOM 800 HE2 TYR 53 33.310 46.180 27.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
805 ATOM 801 CZ TYR 53 34.530 45.460 25.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
806 ATOM 802 OH TYR 53 34.070 46.410 25.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
807 ATOM 803 HH TYR 53 33.620 47.130 25.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
808 ATOM 804 C TYR 53 35.860 40.290 30.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
809 ATOM 805 O TYR 53 36.150 40.400 31.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
810 ATOM 806 N GLY 54 36.470 39.350 29.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
811 ATOM 807 H GLY 54 36.210 39.250 28.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
812 ATOM 808 CA GLY 54 37.640 38.640 29.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
813 ATOM 809 HA1 GLY 54 38.280 38.440 28.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
814 ATOM 810 HA2 GLY 54 38.120 39.240 30.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
815 ATOM 811 C GLY 54 37.350 37.280 30.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
816 ATOM 812 O GLY 54 36.260 36.720 30.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
817 ATOM 813 N ILE 55 38.270 36.760 31.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
818 ATOM 814 H ILE 55 39.070 37.370 31.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
819 ATOM 815 CA ILE 55 38.230 35.410 31.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
820 ATOM 816 HA ILE 55 37.990 34.710 30.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
821 ATOM 817 CB ILE 55 39.650 34.970 32.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
822 ATOM 818 HB ILE 55 40.240 35.390 31.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
823 ATOM 819 CG1 ILE 55 39.840 33.460 32.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
824 ATOM 820 1HG1 ILE 55 39.090 33.020 32.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
825 ATOM 821 2HG1 ILE 55 39.750 33.050 31.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
826 ATOM 822 CG2 ILE 55 40.240 35.650 33.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
827 ATOM 823 1HG2 ILE 55 41.290 35.740 33.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
828 ATOM 824 2HG2 ILE 55 39.950 36.690 33.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
829 ATOM 825 3HG2 ILE 55 40.050 35.060 34.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
830 ATOM 826 CD ILE 55 41.220 33.020 32.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
831 ATOM 827 HD1 ILE 55 41.410 31.950 32.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
832 ATOM 828 HD2 ILE 55 41.900 33.530 31.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
833 ATOM 829 HD3 ILE 55 41.550 33.330 33.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
834 ATOM 830 C ILE 55 37.200 35.310 32.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
835 ATOM 831 O ILE 55 36.700 34.220 33.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
836 ATOM 832 N LEU 56 36.910 36.460 33.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
837 ATOM 833 H LEU 56 37.350 37.300 33.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
838 ATOM 834 CA LEU 56 35.910 36.490 34.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
839 ATOM 835 HA LEU 56 35.470 35.540 34.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
840 ATOM 836 CB LEU 56 36.560 37.040 35.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
841 ATOM 837 HB1 LEU 56 37.010 38.010 35.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
842 ATOM 838 HB2 LEU 56 35.760 37.240 36.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
843 ATOM 839 CG LEU 56 37.590 36.130 36.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
844 ATOM 840 HG LEU 56 38.440 36.090 35.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
845 ATOM 841 CD1 LEU 56 37.960 36.670 37.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
846 ATOM 842 1HD1 LEU 56 38.750 36.050 38.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
847 ATOM 843 2HD1 LEU 56 38.370 37.680 37.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
848 ATOM 844 3HD1 LEU 56 37.140 36.500 38.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
849 ATOM 845 CD2 LEU 56 37.150 34.680 36.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
850 ATOM 846 1HD2 LEU 56 37.890 34.110 37.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
851 ATOM 847 2HD2 LEU 56 36.320 34.690 37.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
852 ATOM 848 3HD2 LEU 56 36.800 34.130 35.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
853 ATOM 849 C LEU 56 34.730 37.330 34.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
854 ATOM 850 O LEU 56 33.750 37.410 34.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
855 ATOM 851 N GLN 57 34.640 37.950 32.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
856 ATOM 852 H GLN 57 35.540 37.890 32.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
857 ATOM 853 CA GLN 57 33.470 38.520 32.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
858 ATOM 854 HA GLN 57 33.710 38.850 31.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
859 ATOM 855 CB GLN 57 32.460 37.390 32.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
860 ATOM 856 HB1 GLN 57 32.260 36.930 32.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
861 ATOM 857 HB2 GLN 57 31.520 37.880 31.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
862 ATOM 858 CG GLN 57 32.850 36.300 31.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
863 ATOM 859 HG1 GLN 57 33.900 36.020 31.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
864 ATOM 860 HG2 GLN 57 32.130 35.520 31.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
865 ATOM 861 CD GLN 57 32.750 36.860 29.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
866 ATOM 862 OE1 GLN 57 31.700 36.770 28.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
867 ATOM 863 NE2 GLN 57 33.820 37.400 29.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
868 ATOM 864 1HE2 GLN 57 34.640 37.410 29.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
869 ATOM 865 2HE2 GLN 57 33.750 37.750 28.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
870 ATOM 866 C GLN 57 32.970 39.700 33.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
871 ATOM 867 O GLN 57 31.840 39.800 33.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
872 ATOM 868 N ILE 58 33.880 40.630 33.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
873 ATOM 869 H ILE 58 34.820 40.600 32.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
874 ATOM 870 CA ILE 58 33.660 41.810 34.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
875 ATOM 871 HA ILE 58 32.940 41.570 34.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
876 ATOM 872 CB ILE 58 35.030 42.170 34.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
877 ATOM 873 HB ILE 58 35.820 42.260 33.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
878 ATOM 874 CG1 ILE 58 35.660 41.030 35.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
879 ATOM 875 1HG1 ILE 58 34.920 40.990 36.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
880 ATOM 876 2HG1 ILE 58 35.590 40.030 35.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
881 ATOM 877 CG2 ILE 58 35.020 43.540 35.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
882 ATOM 878 1HG2 ILE 58 35.700 43.740 36.230 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
883 ATOM 879 2HG2 ILE 58 35.070 44.320 34.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
884 ATOM 880 3HG2 ILE 58 34.090 43.690 35.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
885 ATOM 881 CD ILE 58 36.910 41.370 36.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
886 ATOM 882 HD1 ILE 58 37.670 41.760 35.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
887 ATOM 883 HD2 ILE 58 36.710 42.140 37.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
888 ATOM 884 HD3 ILE 58 37.280 40.490 36.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
889 ATOM 885 C ILE 58 33.140 42.910 33.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
890 ATOM 886 O ILE 58 33.630 43.170 32.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
891 ATOM 887 N ASN 59 32.060 43.520 33.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
892 ATOM 888 H ASN 59 31.760 43.050 34.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
893 ATOM 889 CA ASN 59 31.110 44.290 32.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
894 ATOM 890 HA ASN 59 31.030 43.970 31.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
895 ATOM 891 CB ASN 59 29.740 44.070 33.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
896 ATOM 892 HB1 ASN 59 29.440 43.020 33.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
897 ATOM 893 HB2 ASN 59 29.750 44.530 34.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
898 ATOM 894 CG ASN 59 28.750 44.670 32.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
899 ATOM 895 OD1 ASN 59 28.420 45.840 32.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
900 ATOM 896 ND2 ASN 59 28.390 43.930 31.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
901 ATOM 897 1HD2 ASN 59 28.620 42.960 31.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
902 ATOM 898 2HD2 ASN 59 27.850 44.410 30.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
903 ATOM 899 C ASN 59 31.460 45.770 33.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
904 ATOM 900 O ASN 59 31.770 46.390 34.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
905 ATOM 901 N SER 60 31.380 46.330 31.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
906 ATOM 902 H SER 60 31.010 45.730 31.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
907 ATOM 903 CA SER 60 31.820 47.640 31.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
908 ATOM 904 HA SER 60 32.830 47.850 31.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
909 ATOM 905 CB SER 60 32.010 47.560 29.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
910 ATOM 906 HB1 SER 60 32.550 48.450 29.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
911 ATOM 907 HB2 SER 60 32.690 46.740 29.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
912 ATOM 908 OG SER 60 30.790 47.410 29.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
913 ATOM 909 HG SER 60 30.430 48.260 28.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
914 ATOM 910 C SER 60 30.890 48.770 31.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
915 ATOM 911 O SER 60 31.280 49.930 31.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
916 ATOM 912 N ARG 61 29.700 48.470 32.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
917 ATOM 913 H ARG 61 29.600 47.470 32.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
918 ATOM 914 CA ARG 61 28.880 49.420 33.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
919 ATOM 915 HA ARG 61 28.800 50.310 32.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
920 ATOM 916 CB ARG 61 27.470 48.840 33.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
921 ATOM 917 HB1 ARG 61 27.130 48.440 32.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
922 ATOM 918 HB2 ARG 61 27.570 48.010 33.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
923 ATOM 919 CG ARG 61 26.480 49.820 33.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
924 ATOM 920 HG1 ARG 61 26.690 50.000 34.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
925 ATOM 921 HG2 ARG 61 26.540 50.820 33.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
926 ATOM 922 CD ARG 61 25.060 49.290 33.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
927 ATOM 923 HD1 ARG 61 24.880 49.290 32.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
928 ATOM 924 HD2 ARG 61 24.950 48.250 33.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
929 ATOM 925 NE ARG 61 24.040 50.150 34.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
930 ATOM 926 HE ARG 61 24.330 50.850 34.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
931 ATOM 927 CZ ARG 61 22.740 50.010 33.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
932 ATOM 928 NH1 ARG 61 22.360 49.090 32.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
933 ATOM 929 1HH1 ARG 61 22.840 48.350 32.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
934 ATOM 930 2HH1 ARG 61 21.380 49.120 32.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
935 ATOM 931 NH2 ARG 61 21.870 50.910 34.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
936 ATOM 932 1HH2 ARG 61 22.230 51.530 35.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
937 ATOM 933 2HH2 ARG 61 20.960 51.120 33.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
938 ATOM 934 C ARG 61 29.470 49.850 34.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
939 ATOM 935 O ARG 61 29.260 51.010 34.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
940 ATOM 936 N TRP 62 30.140 48.970 35.100 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
941 ATOM 937 H TRP 62 30.190 47.990 34.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
942 ATOM 938 CA TRP 62 30.540 49.240 36.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
943 ATOM 939 HA TRP 62 30.130 50.200 36.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
944 ATOM 940 CB TRP 62 29.860 48.240 37.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
945 ATOM 941 HB1 TRP 62 30.340 47.270 37.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
946 ATOM 942 HB2 TRP 62 29.970 48.560 38.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
947 ATOM 943 CG TRP 62 28.400 47.950 37.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
948 ATOM 944 CD1 TRP 62 27.910 46.840 36.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
949 ATOM 945 HD1 TRP 62 28.470 46.110 36.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
950 ATOM 946 CD2 TRP 62 27.240 48.770 37.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
951 ATOM 947 NE1 TRP 62 26.530 46.960 36.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
952 ATOM 948 HE1 TRP 62 25.980 46.250 36.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
953 ATOM 949 CE2 TRP 62 26.050 48.100 37.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
954 ATOM 950 CE3 TRP 62 27.120 50.020 38.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
955 ATOM 951 HE3 TRP 62 27.960 50.650 38.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
956 ATOM 952 CZ2 TRP 62 24.790 48.630 37.550 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
957 ATOM 953 HZ2 TRP 62 23.890 48.190 37.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
958 ATOM 954 CZ3 TRP 62 25.860 50.560 38.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
959 ATOM 955 HZ3 TRP 62 25.840 51.540 38.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
960 ATOM 956 CH2 TRP 62 24.690 49.860 38.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
961 ATOM 957 HH2 TRP 62 23.730 50.320 38.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
962 ATOM 958 C TRP 62 32.060 49.310 36.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
963 ATOM 959 O TRP 62 32.610 50.240 37.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
964 ATOM 960 N TRP 63 32.820 48.330 36.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
965 ATOM 961 H TRP 63 32.220 47.590 35.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
966 ATOM 962 CA TRP 63 34.130 47.950 36.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
967 ATOM 963 HA TRP 63 34.350 48.410 37.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
968 ATOM 964 CB TRP 63 34.100 46.430 36.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
969 ATOM 965 HB1 TRP 63 33.810 45.980 35.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
970 ATOM 966 HB2 TRP 63 35.030 45.980 37.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
971 ATOM 967 CG TRP 63 33.050 45.870 37.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
972 ATOM 968 CD1 TRP 63 32.060 45.010 37.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
973 ATOM 969 HD1 TRP 63 31.900 44.540 36.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
974 ATOM 970 CD2 TRP 63 32.890 46.220 39.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
975 ATOM 971 NE1 TRP 63 31.310 44.810 38.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
976 ATOM 972 HE1 TRP 63 30.620 44.070 38.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
977 ATOM 973 CE2 TRP 63 31.740 45.550 39.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
978 ATOM 974 CE3 TRP 63 33.690 46.890 40.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
979 ATOM 975 HE3 TRP 63 34.570 47.370 39.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
980 ATOM 976 CZ2 TRP 63 31.280 45.730 40.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
981 ATOM 977 HZ2 TRP 63 30.350 45.290 41.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
982 ATOM 978 CZ3 TRP 63 33.210 47.120 41.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
983 ATOM 979 HZ3 TRP 63 33.830 47.710 41.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
984 ATOM 980 CH2 TRP 63 32.020 46.530 41.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
985 ATOM 981 HH2 TRP 63 31.740 46.710 42.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
986 ATOM 982 C TRP 63 35.230 48.410 35.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
987 ATOM 983 O TRP 63 36.120 49.150 36.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
988 ATOM 984 N CYS 64 35.050 48.290 34.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
989 ATOM 985 H CYS 64 34.360 47.630 34.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
990 ATOM 986 CA CYS 64 35.930 48.900 33.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
991 ATOM 987 HA CYS 64 36.760 49.430 33.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
992 ATOM 988 CB CYS 64 36.580 47.810 32.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
993 ATOM 989 HB1 CYS 64 37.380 48.210 31.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
994 ATOM 990 HB2 CYS 64 37.020 47.160 33.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
995 ATOM 991 SG CYS 64 35.450 46.790 31.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
996 ATOM 992 C CYS 64 35.350 50.010 32.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
997 ATOM 993 O CYS 64 34.120 50.150 32.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
998 ATOM 994 N ASN 65 36.140 50.780 31.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
999 ATOM 995 H ASN 65 37.140 50.700 31.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1000 ATOM 996 CA ASN 65 35.600 51.610 30.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1001 ATOM 997 HA ASN 65 34.520 51.770 30.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1002 ATOM 998 CB ASN 65 36.240 52.990 30.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1003 ATOM 999 HB1 ASN 65 35.960 53.390 31.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1004 ATOM 1000 HB2 ASN 65 37.330 53.020 30.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1005 ATOM 1001 CG ASN 65 35.650 54.100 29.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1006 ATOM 1002 OD1 ASN 65 34.440 54.340 29.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1007 ATOM 1003 ND2 ASN 65 36.460 54.790 29.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1008 ATOM 1004 1HD2 ASN 65 37.460 54.610 29.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1009 ATOM 1005 2HD2 ASN 65 36.020 55.450 28.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1010 ATOM 1006 C ASN 65 35.990 51.060 29.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1011 ATOM 1007 O ASN 65 37.180 50.950 29.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1012 ATOM 1008 N ASP 66 35.050 50.750 28.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1013 ATOM 1009 H ASP 66 34.140 51.000 28.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1014 ATOM 1010 CA ASP 66 35.180 50.460 27.010 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1015 ATOM 1011 HA ASP 66 36.210 50.150 26.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1016 ATOM 1012 CB ASP 66 34.290 49.380 26.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1017 ATOM 1013 HB1 ASP 66 34.570 49.100 25.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1018 ATOM 1014 HB2 ASP 66 34.490 48.450 26.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1019 ATOM 1015 CG ASP 66 32.780 49.590 26.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1020 ATOM 1016 OD1 ASP 66 32.170 50.600 26.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1021 ATOM 1017 OD2 ASP 66 32.150 48.640 25.900 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1022 ATOM 1018 C ASP 66 34.980 51.760 26.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1023 ATOM 1019 O ASP 66 35.510 51.880 25.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1024 ATOM 1020 N GLY 67 34.210 52.680 26.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1025 ATOM 1021 H GLY 67 33.820 52.540 27.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1026 ATOM 1022 CA GLY 67 34.130 54.030 26.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1027 ATOM 1023 HA1 GLY 67 34.250 54.730 27.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1028 ATOM 1024 HA2 GLY 67 34.950 54.290 25.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1029 ATOM 1025 C GLY 67 32.810 54.310 25.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1030 ATOM 1026 O GLY 67 32.570 55.480 25.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1031 ATOM 1027 N ARG 68 32.010 53.270 25.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1032 ATOM 1028 H ARG 68 32.100 52.370 25.810 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1033 ATOM 1029 CA ARG 68 30.750 53.280 24.640 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1034 ATOM 1030 HA ARG 68 30.490 54.310 24.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1035 ATOM 1031 CB ARG 68 30.970 52.510 23.330 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1036 ATOM 1032 HB1 ARG 68 30.040 52.430 22.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1037 ATOM 1033 HB2 ARG 68 31.730 53.020 22.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1038 ATOM 1034 CG ARG 68 31.490 51.090 23.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1039 ATOM 1035 HG1 ARG 68 32.540 51.190 23.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1040 ATOM 1036 HG2 ARG 68 31.020 50.650 24.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1041 ATOM 1037 CD ARG 68 31.310 50.090 22.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1042 ATOM 1038 HD1 ARG 68 31.130 50.670 21.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1043 ATOM 1039 HD2 ARG 68 32.180 49.480 22.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1044 ATOM 1040 NE ARG 68 30.210 49.170 22.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1045 ATOM 1041 HE ARG 68 30.230 48.560 23.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1046 ATOM 1042 CZ ARG 68 28.960 49.240 22.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1047 ATOM 1043 NH1 ARG 68 28.670 49.960 21.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1048 ATOM 1044 1HH1 ARG 68 29.390 50.340 20.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1049 ATOM 1045 2HH1 ARG 68 27.720 50.260 20.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1050 ATOM 1046 NH2 ARG 68 27.970 48.650 22.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1051 ATOM 1047 1HH2 ARG 68 28.150 48.310 23.720 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1052 ATOM 1048 2HH2 ARG 68 27.010 48.870 22.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1053 ATOM 1049 C ARG 68 29.560 52.760 25.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1054 ATOM 1050 O ARG 68 28.450 52.760 24.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1055 ATOM 1051 N THR 69 29.770 52.350 26.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1056 ATOM 1052 H THR 69 30.630 52.590 27.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1057 ATOM 1053 CA THR 69 28.650 51.930 27.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1058 ATOM 1054 HA THR 69 27.980 51.340 26.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1059 ATOM 1055 CB THR 69 29.210 50.990 28.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1060 ATOM 1056 HB THR 69 29.930 51.590 29.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1061 ATOM 1057 OG1 THR 69 29.860 49.890 27.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1062 ATOM 1058 HG1 THR 69 30.540 50.170 27.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1063 ATOM 1059 CG2 THR 69 28.150 50.300 29.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1064 ATOM 1060 1HG2 THR 69 28.560 49.460 29.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1065 ATOM 1061 2HG2 THR 69 27.710 50.970 30.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1066 ATOM 1062 3HG2 THR 69 27.300 50.000 28.820 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1067 ATOM 1063 C THR 69 28.040 53.140 28.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1068 ATOM 1064 O THR 69 28.600 53.700 29.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1069 ATOM 1065 N PRO 70 26.760 53.370 27.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1070 ATOM 1066 CA PRO 70 26.090 54.440 28.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1071 ATOM 1067 HA PRO 70 26.820 55.240 28.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1072 ATOM 1068 CB PRO 70 24.740 54.670 27.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1073 ATOM 1069 HB1 PRO 70 23.880 54.960 28.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1074 ATOM 1070 HB2 PRO 70 24.840 55.580 27.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1075 ATOM 1071 CG PRO 70 24.540 53.380 27.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1076 ATOM 1072 HG1 PRO 70 23.910 52.730 27.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1077 ATOM 1073 HG2 PRO 70 24.070 53.620 26.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1078 ATOM 1074 CD PRO 70 25.910 52.740 26.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1079 ATOM 1075 HD1 PRO 70 25.830 51.700 27.250 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1080 ATOM 1076 HD2 PRO 70 26.220 52.690 25.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1081 ATOM 1077 C PRO 70 25.830 54.000 30.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1082 ATOM 1078 O PRO 70 25.410 52.880 30.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1083 ATOM 1079 N GLY 71 26.090 54.870 31.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1084 ATOM 1080 H GLY 71 26.450 55.810 30.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1085 ATOM 1081 CA GLY 71 25.880 54.650 32.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1086 ATOM 1082 HA1 GLY 71 25.480 55.580 32.870 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1087 ATOM 1083 HA2 GLY 71 25.100 53.900 32.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1088 ATOM 1084 C GLY 71 27.120 54.370 33.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1089 ATOM 1085 O GLY 71 27.070 54.190 34.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1090 ATOM 1086 N SER 72 28.280 54.250 32.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1091 ATOM 1087 H SER 72 28.160 54.560 31.690 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1092 ATOM 1088 CA SER 72 29.620 53.880 33.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1093 ATOM 1089 HA SER 72 29.530 52.790 33.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1094 ATOM 1090 CB SER 72 30.550 54.260 31.920 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1095 ATOM 1091 HB1 SER 72 30.170 53.720 31.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1096 ATOM 1092 HB2 SER 72 30.360 55.320 31.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1097 ATOM 1093 OG SER 72 31.940 54.100 32.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1098 ATOM 1094 HG SER 72 31.980 53.190 32.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1099 ATOM 1095 C SER 72 30.060 54.420 34.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1100 ATOM 1096 O SER 72 29.850 55.590 34.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1101 ATOM 1097 N ARG 73 30.770 53.630 35.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1102 ATOM 1098 H ARG 73 30.900 52.670 34.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1103 ATOM 1099 CA ARG 73 31.390 54.130 36.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1104 ATOM 1100 HA ARG 73 31.120 55.180 36.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1105 ATOM 1101 CB ARG 73 30.800 53.400 37.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1106 ATOM 1102 HB1 ARG 73 30.870 52.330 37.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1107 ATOM 1103 HB2 ARG 73 31.320 53.570 38.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1108 ATOM 1104 CG ARG 73 29.300 53.650 37.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1109 ATOM 1105 HG1 ARG 73 28.710 53.210 37.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1110 ATOM 1106 HG2 ARG 73 28.950 53.030 38.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1111 ATOM 1107 CD ARG 73 29.010 55.140 37.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1112 ATOM 1108 HD1 ARG 73 29.860 55.670 38.380 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1113 ATOM 1109 HD2 ARG 73 28.870 55.540 36.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1114 ATOM 1110 NE ARG 73 27.730 55.470 38.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1115 ATOM 1111 HE ARG 73 27.810 55.430 39.570 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1116 ATOM 1112 CZ ARG 73 26.700 56.080 37.960 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1117 ATOM 1113 NH1 ARG 73 26.350 55.900 36.680 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1118 ATOM 1114 1HH1 ARG 73 26.900 55.320 36.060 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1119 ATOM 1115 2HH1 ARG 73 25.640 56.400 36.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1120 ATOM 1116 NH2 ARG 73 25.930 56.850 38.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1121 ATOM 1117 1HH2 ARG 73 26.070 56.910 39.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1122 ATOM 1118 2HH2 ARG 73 25.240 57.430 38.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1123 ATOM 1119 C ARG 73 32.900 54.020 36.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1124 ATOM 1120 O ARG 73 33.520 54.940 37.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1125 ATOM 1121 N ASN 74 33.490 52.870 36.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1126 ATOM 1122 H ASN 74 32.850 52.110 36.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1127 ATOM 1123 CA ASN 74 34.920 52.630 36.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1128 ATOM 1124 HA ASN 74 34.820 51.680 35.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1129 ATOM 1125 CB ASN 74 35.660 53.550 35.150 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1130 ATOM 1126 HB1 ASN 74 35.010 53.600 34.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1131 ATOM 1127 HB2 ASN 74 35.690 54.550 35.590 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1132 ATOM 1128 CG ASN 74 36.940 52.890 34.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1133 ATOM 1129 OD1 ASN 74 37.100 51.680 34.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1134 ATOM 1130 ND2 ASN 74 37.900 53.580 34.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1135 ATOM 1131 1HD2 ASN 74 37.840 54.590 34.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1136 ATOM 1132 2HD2 ASN 74 38.610 53.070 33.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1137 ATOM 1133 C ASN 74 35.590 52.300 37.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1138 ATOM 1134 O ASN 74 36.650 52.840 37.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1139 ATOM 1135 N LEU 75 34.950 51.500 38.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1140 ATOM 1136 H LEU 75 34.120 51.030 37.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1141 ATOM 1137 CA LEU 75 35.300 51.340 39.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1142 ATOM 1138 HA LEU 75 35.520 52.290 40.210 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1143 ATOM 1139 CB LEU 75 34.080 50.800 40.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1144 ATOM 1140 HB1 LEU 75 33.960 49.770 40.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1145 ATOM 1141 HB2 LEU 75 34.300 50.690 41.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1146 ATOM 1142 CG LEU 75 32.740 51.540 40.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1147 ATOM 1143 HG LEU 75 32.510 51.700 39.280 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1148 ATOM 1144 CD1 LEU 75 31.500 50.750 40.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1149 ATOM 1145 1HD1 LEU 75 30.620 51.180 40.270 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1150 ATOM 1146 2HD1 LEU 75 31.650 49.710 40.460 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1151 ATOM 1147 3HD1 LEU 75 31.470 50.770 41.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1152 ATOM 1148 CD2 LEU 75 32.730 52.820 41.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1153 ATOM 1149 1HD2 LEU 75 31.730 53.240 41.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1154 ATOM 1150 2HD2 LEU 75 33.270 52.650 42.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1155 ATOM 1151 3HD2 LEU 75 33.360 53.570 40.700 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1156 ATOM 1152 C LEU 75 36.560 50.550 40.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1157 ATOM 1153 O LEU 75 37.120 50.570 41.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1158 ATOM 1154 N CYS 76 37.030 49.870 39.020 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1159 ATOM 1155 H CYS 76 36.710 49.940 38.070 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1160 ATOM 1156 CA CYS 76 38.340 49.250 38.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1161 ATOM 1157 HA CYS 76 38.710 49.040 39.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1162 ATOM 1158 CB CYS 76 38.320 47.930 38.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1163 ATOM 1159 HB1 CYS 76 37.910 47.940 37.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1164 ATOM 1160 HB2 CYS 76 39.340 47.610 38.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1165 ATOM 1161 SG CYS 76 37.590 46.530 39.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1166 ATOM 1162 C CYS 76 39.360 50.140 38.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1167 ATOM 1163 O CYS 76 40.560 49.920 38.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1168 ATOM 1164 N ASN 77 38.990 51.200 37.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1169 ATOM 1165 H ASN 77 37.990 51.360 37.500 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1170 ATOM 1166 CA ASN 77 39.830 52.300 37.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1171 ATOM 1167 HA ASN 77 39.130 53.070 36.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1172 ATOM 1168 CB ASN 77 40.690 52.980 38.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1173 ATOM 1169 HB1 ASN 77 40.180 53.020 39.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1174 ATOM 1170 HB2 ASN 77 41.570 52.370 38.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1175 ATOM 1171 CG ASN 77 41.050 54.440 37.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1176 ATOM 1172 OD1 ASN 77 40.160 55.200 37.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1177 ATOM 1173 ND2 ASN 77 42.250 54.890 38.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1178 ATOM 1174 1HD2 ASN 77 42.980 54.200 38.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1179 ATOM 1175 2HD2 ASN 77 42.600 55.830 38.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1180 ATOM 1176 C ASN 77 40.590 51.980 35.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1181 ATOM 1177 O ASN 77 41.790 52.220 35.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1182 ATOM 1178 N ILE 78 40.040 51.110 34.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1183 ATOM 1179 H ILE 78 39.080 50.830 35.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1184 ATOM 1180 CA ILE 78 40.740 50.440 33.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1185 ATOM 1181 HA ILE 78 41.600 51.060 33.660 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1186 ATOM 1182 CB ILE 78 41.170 49.040 34.340 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1187 ATOM 1183 HB ILE 78 41.510 48.500 33.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1188 ATOM 1184 CG1 ILE 78 39.990 48.250 34.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1189 ATOM 1185 1HG1 ILE 78 39.500 48.700 35.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1190 ATOM 1186 2HG1 ILE 78 39.230 48.210 34.130 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1191 ATOM 1187 CG2 ILE 78 42.360 49.090 35.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1192 ATOM 1188 1HG2 ILE 78 42.840 48.130 35.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1193 ATOM 1189 2HG2 ILE 78 43.230 49.690 35.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1194 ATOM 1190 3HG2 ILE 78 42.090 49.440 36.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1195 ATOM 1191 CD ILE 78 40.310 46.810 35.300 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1196 ATOM 1192 HD1 ILE 78 39.400 46.270 35.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1197 ATOM 1193 HD2 ILE 78 40.810 46.280 34.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1198 ATOM 1194 HD3 ILE 78 40.970 46.690 36.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1199 ATOM 1195 C ILE 78 40.070 50.500 32.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1200 ATOM 1196 O ILE 78 38.850 50.610 32.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1201 ATOM 1197 N PRO 79 40.820 50.300 31.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1202 ATOM 1198 CA PRO 79 40.280 50.120 30.120 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1203 ATOM 1199 HA PRO 79 39.470 50.800 29.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1204 ATOM 1200 CB PRO 79 41.450 50.220 29.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1205 ATOM 1201 HB1 PRO 79 41.560 49.300 28.580 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1206 ATOM 1202 HB2 PRO 79 41.270 50.960 28.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1207 ATOM 1203 CG PRO 79 42.730 50.350 29.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1208 ATOM 1204 HG1 PRO 79 43.300 49.430 29.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1209 ATOM 1205 HG2 PRO 79 43.320 51.220 29.670 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1210 ATOM 1206 CD PRO 79 42.250 50.480 31.420 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1211 ATOM 1207 HD1 PRO 79 42.710 49.670 31.990 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1212 ATOM 1208 HD2 PRO 79 42.490 51.430 31.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1213 ATOM 1209 C PRO 79 39.740 48.700 30.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1214 ATOM 1210 O PRO 79 40.390 47.810 30.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1215 ATOM 1211 N CYS 80 38.660 48.420 29.470 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1216 ATOM 1212 H CYS 80 38.050 49.150 29.140 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1217 ATOM 1213 CA CYS 80 38.240 47.030 29.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1218 ATOM 1214 HA CYS 80 38.220 46.660 30.390 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1219 ATOM 1215 CB CYS 80 36.800 46.910 28.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1220 ATOM 1216 HB1 CYS 80 36.790 47.310 27.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1221 ATOM 1217 HB2 CYS 80 36.530 45.850 28.830 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1222 ATOM 1218 SG CYS 80 35.460 47.760 29.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1223 ATOM 1219 C CYS 80 39.130 46.120 28.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1224 ATOM 1220 O CYS 80 39.370 44.950 28.770 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1225 ATOM 1221 N SER 81 39.780 46.700 27.510 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1226 ATOM 1222 H SER 81 39.540 47.650 27.290 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1227 ATOM 1223 CA SER 81 40.850 46.140 26.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1228 ATOM 1224 HA SER 81 40.250 45.400 26.190 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1229 ATOM 1225 CB SER 81 41.180 47.190 25.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1230 ATOM 1226 HB1 SER 81 41.640 46.620 24.840 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1231 ATOM 1227 HB2 SER 81 40.370 47.690 25.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1232 ATOM 1228 OG SER 81 42.090 48.170 26.090 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1233 ATOM 1229 HG SER 81 41.570 48.810 26.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1234 ATOM 1230 C SER 81 42.050 45.500 27.410 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1235 ATOM 1231 O SER 81 42.640 44.530 26.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1236 ATOM 1232 N ALA 82 42.320 45.980 28.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1237 ATOM 1233 H ALA 82 41.720 46.740 28.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1238 ATOM 1234 CA ALA 82 43.270 45.410 29.560 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1239 ATOM 1235 HA ALA 82 44.210 45.280 29.030 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1240 ATOM 1236 CB ALA 82 43.470 46.400 30.710 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1241 ATOM 1237 HB1 ALA 82 44.210 46.090 31.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1242 ATOM 1238 HB2 ALA 82 43.910 47.290 30.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1243 ATOM 1239 HB3 ALA 82 42.620 46.620 31.350 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1244 ATOM 1240 C ALA 82 42.900 44.020 30.040 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1245 ATOM 1241 O ALA 82 43.810 43.350 30.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1246 ATOM 1242 N LEU 83 41.630 43.630 29.890 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1247 ATOM 1243 H LEU 83 41.020 44.210 29.320 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1248 ATOM 1244 CA LEU 83 41.060 42.420 30.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1249 ATOM 1245 HA LEU 83 41.580 42.160 31.370 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1250 ATOM 1246 CB LEU 83 39.630 42.730 30.880 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1251 ATOM 1247 HB1 LEU 83 38.880 42.880 30.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1252 ATOM 1248 HB2 LEU 83 39.380 41.830 31.440 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1253 ATOM 1249 CG LEU 83 39.440 43.830 31.930 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1254 ATOM 1250 HG LEU 83 39.920 44.700 31.490 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1255 ATOM 1251 CD1 LEU 83 37.980 44.260 32.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1256 ATOM 1252 1HD1 LEU 83 37.810 45.170 32.630 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1257 ATOM 1253 2HD1 LEU 83 37.460 44.450 31.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1258 ATOM 1254 3HD1 LEU 83 37.370 43.540 32.600 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1259 ATOM 1255 CD2 LEU 83 39.990 43.480 33.310 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1260 ATOM 1256 1HD2 LEU 83 39.660 44.280 33.980 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1261 ATOM 1257 2HD2 LEU 83 39.600 42.570 33.750 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1262 ATOM 1258 3HD2 LEU 83 41.060 43.690 33.360 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1263 ATOM 1259 C LEU 83 41.070 41.300 29.430 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1264 ATOM 1260 O LEU 83 40.560 40.240 29.800 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1265 ATOM 1261 N LEU 84 41.600 41.510 28.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1266 ATOM 1262 H LEU 84 41.780 42.490 28.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1267 ATOM 1263 CA LEU 84 41.640 40.520 27.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1268 ATOM 1264 HA LEU 84 41.020 39.670 27.480 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1269 ATOM 1265 CB LEU 84 41.000 41.100 25.910 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1270 ATOM 1266 HB1 LEU 84 41.660 41.810 25.400 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1271 ATOM 1267 HB2 LEU 84 40.900 40.300 25.170 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1272 ATOM 1268 CG LEU 84 39.580 41.660 26.050 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1273 ATOM 1269 HG LEU 84 39.610 42.590 26.610 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1274 ATOM 1270 CD1 LEU 84 39.020 41.920 24.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1275 ATOM 1271 1HD1 LEU 84 37.970 42.210 24.650 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1276 ATOM 1272 2HD1 LEU 84 39.570 42.670 24.080 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1277 ATOM 1273 3HD1 LEU 84 38.970 40.980 24.110 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1278 ATOM 1274 CD2 LEU 84 38.660 40.690 26.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1279 ATOM 1275 1HD2 LEU 84 37.650 41.090 26.790 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1280 ATOM 1276 2HD2 LEU 84 38.540 39.770 26.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1281 ATOM 1277 3HD2 LEU 84 38.950 40.340 27.780 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1282 ATOM 1278 C LEU 84 43.040 40.020 26.850 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1283 ATOM 1279 O LEU 84 43.290 39.200 25.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1284 ATOM 1280 N SER 85 44.010 40.510 27.620 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1285 ATOM 1281 H SER 85 43.730 41.020 28.450 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1286 ATOM 1282 CA SER 85 45.400 40.110 27.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1287 ATOM 1283 HA SER 85 45.700 40.380 26.760 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1288 ATOM 1284 CB SER 85 45.860 41.070 28.860 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1289 ATOM 1285 HB1 SER 85 45.700 42.090 28.540 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1290 ATOM 1286 HB2 SER 85 45.220 40.990 29.730 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1291 ATOM 1287 OG SER 85 47.250 40.880 29.000 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1292 ATOM 1288 HG SER 85 47.770 41.150 28.260 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1293 ATOM 1289 C SER 85 45.650 38.660 28.160 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1294 ATOM 1290 O SER 85 44.910 38.100 28.970 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1295 ATOM 1291 N SER 86 46.790 38.090 27.740 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1296 ATOM 1292 H SER 86 47.440 38.620 27.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1297 ATOM 1293 CA SER 86 47.250 36.790 28.180 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1298 ATOM 1294 HA SER 86 46.490 36.010 28.240 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1299 ATOM 1295 CB SER 86 48.290 36.240 27.200 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1300 ATOM 1296 HB1 SER 86 49.130 36.890 26.950 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1301 ATOM 1297 HB2 SER 86 48.580 35.230 27.520 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1302 ATOM 1298 OG SER 86 47.750 35.890 25.940 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1303 ATOM 1299 HG SER 86 48.360 35.920 25.220 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset
1304 ATOM 1300 C SER 86 47.950 36.820 29.530 1.00 0.00
72c2b7992c26 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff changeset