annotate test-data/model.rebuilt.pdb @ 0:212ccef97a3a draft default tip

planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
author chemteam
date Thu, 06 Jun 2024 07:08:34 +0000
parents
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212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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1 REMARK 999 REBUILT BY PULCHRA V.3.06
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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diff changeset
2 ATOM 1 N PHE 1 16.391 50.300 23.791
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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3 ATOM 2 CA PHE 1 15.513 49.774 25.062
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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4 ATOM 3 CB PHE 1 14.680 50.968 25.481
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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5 ATOM 4 CG PHE 1 15.373 52.092 26.222
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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6 ATOM 5 CD1 PHE 1 16.108 53.063 25.564
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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7 ATOM 6 CD2 PHE 1 15.281 52.208 27.599
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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8 ATOM 7 CE1 PHE 1 16.723 54.104 26.232
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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9 ATOM 8 CE2 PHE 1 15.893 53.253 28.296
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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10 ATOM 9 CZ PHE 1 16.610 54.217 27.617
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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11 ATOM 10 C PHE 1 14.542 48.544 24.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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12 ATOM 11 O PHE 1 14.261 48.334 23.266
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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13 ATOM 12 N LEU 2 14.039 47.806 25.433
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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14 ATOM 13 CA LEU 2 13.229 46.739 25.121
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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15 ATOM 14 CB LEU 2 13.775 45.355 25.461
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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16 ATOM 15 CG LEU 2 12.771 44.240 25.163
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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17 ATOM 16 CD1 LEU 2 12.554 44.122 23.664
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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18 ATOM 17 CD2 LEU 2 13.262 42.931 25.748
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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19 ATOM 18 C LEU 2 11.879 47.141 25.632
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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20 ATOM 19 O LEU 2 11.797 47.155 26.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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21 ATOM 20 N VAL 3 10.836 47.425 24.846
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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22 ATOM 21 CA VAL 3 9.685 47.820 25.820
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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23 ATOM 22 CB VAL 3 9.145 49.012 25.003
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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24 ATOM 23 CG1 VAL 3 7.859 49.500 25.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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25 ATOM 24 CG2 VAL 3 10.171 50.163 24.871
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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26 ATOM 25 C VAL 3 8.554 46.704 25.569
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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27 ATOM 26 O VAL 3 8.414 45.957 24.602
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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28 ATOM 27 N ALA 4 7.845 46.573 26.686
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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29 ATOM 28 CA ALA 4 6.727 45.678 26.933
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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30 ATOM 29 CB ALA 4 6.717 44.884 28.231
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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31 ATOM 30 C ALA 4 5.484 46.581 26.711
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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32 ATOM 31 O ALA 4 5.422 47.767 27.017
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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33 ATOM 32 N MET 5 4.501 45.975 26.017
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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34 ATOM 33 CA MET 5 3.258 46.604 25.633
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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35 ATOM 34 CB MET 5 2.254 45.602 25.057
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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36 ATOM 35 CG MET 5 1.005 46.233 24.459
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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37 ATOM 36 SD MET 5 -0.064 45.006 23.672
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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38 ATOM 37 CE MET 5 0.674 44.896 22.047
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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39 ATOM 38 C MET 5 2.354 47.230 26.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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40 ATOM 39 O MET 5 1.327 47.936 26.198
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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41 ATOM 40 N LYS 6 2.544 47.021 27.934
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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42 ATOM 41 CA LYS 6 1.754 47.436 29.050
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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43 ATOM 42 CB LYS 6 2.244 48.868 29.316
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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44 ATOM 43 CG LYS 6 3.720 48.925 29.684
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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45 ATOM 44 CD LYS 6 4.234 50.343 29.893
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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46 ATOM 45 CE LYS 6 5.722 50.312 30.239
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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47 ATOM 46 NZ LYS 6 6.318 51.670 30.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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48 ATOM 47 C LYS 6 0.353 46.962 29.410
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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49 ATOM 48 O LYS 6 0.084 46.805 30.610
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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50 ATOM 49 N GLU 7 -0.467 46.691 28.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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51 ATOM 50 CA GLU 7 -1.796 46.206 28.577
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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diff changeset
52 ATOM 51 CB GLU 7 -2.579 46.703 29.810
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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53 ATOM 52 CG GLU 7 -3.871 45.935 30.097
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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54 ATOM 53 CD GLU 7 -4.569 46.369 31.391
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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55 ATOM 54 OE1 GLU 7 -5.594 45.751 31.735
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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56 ATOM 55 OE2 GLU 7 -4.107 47.317 32.065
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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57 ATOM 56 C GLU 7 -2.573 46.221 27.261
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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58 ATOM 57 O GLU 7 -2.320 47.049 26.380
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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59 ATOM 58 N ASP 8 -3.517 45.290 27.146
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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60 ATOM 59 CA ASP 8 -4.356 45.140 25.963
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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61 ATOM 60 CB ASP 8 -5.451 44.076 26.014
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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62 ATOM 61 CG ASP 8 -4.902 42.664 26.015
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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63 ATOM 62 OD1 ASP 8 -3.781 42.419 25.568
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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64 ATOM 63 OD2 ASP 8 -5.642 41.795 26.539
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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65 ATOM 64 C ASP 8 -5.608 46.003 26.196
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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66 ATOM 65 O ASP 8 -6.730 45.512 26.317
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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67 ATOM 66 N SER 9 -5.364 47.305 26.299
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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68 ATOM 67 CA SER 9 -6.347 48.340 26.542
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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69 ATOM 68 CB SER 9 -6.781 48.251 27.978
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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70 ATOM 69 OG SER 9 -5.986 48.991 28.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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71 ATOM 70 C SER 9 -5.795 49.676 25.952
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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72 ATOM 71 O SER 9 -4.594 49.926 25.812
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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73 ATOM 72 N ILE 10 -6.763 50.553 25.694
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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74 ATOM 73 CA ILE 10 -6.479 51.896 25.155
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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75 ATOM 74 CB ILE 10 -7.797 52.735 24.850
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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76 ATOM 75 CG1 ILE 10 -8.410 52.207 23.589
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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77 ATOM 76 CG2 ILE 10 -7.493 54.206 24.689
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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78 ATOM 77 CD1 ILE 10 -9.678 52.929 23.203
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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79 ATOM 78 C ILE 10 -5.579 52.619 26.115
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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80 ATOM 79 O ILE 10 -4.627 53.230 25.637
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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81 ATOM 80 N GLU 11 -5.782 52.508 27.421
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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82 ATOM 81 CA GLU 11 -5.024 53.056 28.465
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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83 ATOM 82 CB GLU 11 -5.498 52.628 29.883
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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84 ATOM 83 CG GLU 11 -6.877 53.186 30.200
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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85 ATOM 84 CD GLU 11 -7.430 52.670 31.517
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
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86 ATOM 85 OE1 GLU 11 -6.940 51.651 32.062
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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parents:
diff changeset
87 ATOM 86 OE2 GLU 11 -8.371 53.332 31.999
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
88 ATOM 87 C GLU 11 -3.556 52.528 28.358
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
89 ATOM 88 O GLU 11 -2.582 53.282 28.316
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
90 ATOM 89 N GLY 12 -3.445 51.196 28.324
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
91 ATOM 90 CA GLY 12 -2.092 50.587 28.253
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
92 ATOM 91 C GLY 12 -1.405 50.957 26.974
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
93 ATOM 92 O GLY 12 -0.228 51.332 27.019
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
94 ATOM 93 N ILE 13 -2.081 50.832 25.832
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
95 ATOM 94 CA ILE 13 -1.524 51.170 24.528
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
96 ATOM 95 CB ILE 13 -2.485 50.796 23.354
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
97 ATOM 96 CG1 ILE 13 -3.794 51.582 23.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
98 ATOM 97 CG2 ILE 13 -2.736 49.291 23.332
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
99 ATOM 98 CD1 ILE 13 -4.789 51.248 22.348
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
100 ATOM 99 C ILE 13 -0.963 52.586 24.501
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
101 ATOM 100 O ILE 13 0.151 52.832 24.047
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
102 ATOM 101 N TYR 14 -1.742 53.513 25.044
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
103 ATOM 102 CA TYR 14 -1.360 54.936 25.069
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
104 ATOM 103 CB TYR 14 -2.572 55.756 25.480
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
105 ATOM 104 CG TYR 14 -2.479 57.208 25.147
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
106 ATOM 105 CD1 TYR 14 -2.212 57.624 23.850
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
107 ATOM 106 CD2 TYR 14 -2.670 58.177 26.125
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
108 ATOM 107 CE1 TYR 14 -2.140 58.971 23.536
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
109 ATOM 108 CE2 TYR 14 -2.606 59.516 25.827
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
110 ATOM 109 CZ TYR 14 -2.338 59.914 24.532
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
111 ATOM 110 OH TYR 14 -2.247 61.257 24.246
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
112 ATOM 111 C TYR 14 -0.188 55.104 25.972
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
113 ATOM 112 O TYR 14 0.761 55.785 25.568
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
114 ATOM 113 N ASP 15 -0.211 54.538 27.179
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
115 ATOM 114 CA ASP 15 0.880 54.606 28.142
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
116 ATOM 115 CB ASP 15 0.585 53.762 29.383
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
117 ATOM 116 CG ASP 15 -0.377 54.431 30.339
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
118 ATOM 117 OD1 ASP 15 -0.473 55.678 30.330
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
119 ATOM 118 OD2 ASP 15 -1.031 53.702 31.116
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
120 ATOM 119 C ASP 15 2.178 54.123 27.496
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
121 ATOM 120 O ASP 15 3.226 54.778 27.595
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
122 ATOM 121 N THR 16 2.094 52.993 26.796
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
123 ATOM 122 CA THR 16 3.271 52.449 26.116
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
124 ATOM 123 CB THR 16 2.933 51.091 25.456
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
125 ATOM 124 OG1 THR 16 2.345 50.223 26.430
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
126 ATOM 125 CG2 THR 16 4.182 50.433 24.904
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
127 ATOM 126 C THR 16 3.745 53.450 24.997
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
128 ATOM 127 O THR 16 4.943 53.674 24.856
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
129 ATOM 128 N LEU 17 2.821 54.060 24.257
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
130 ATOM 129 CA LEU 17 3.152 55.037 23.308
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
131 ATOM 130 CB LEU 17 1.912 55.391 22.496
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
132 ATOM 131 CG LEU 17 1.331 54.321 21.566
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
133 ATOM 132 CD1 LEU 17 0.029 54.804 20.948
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
134 ATOM 133 CD2 LEU 17 2.370 53.999 20.501
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
135 ATOM 134 C LEU 17 3.899 56.227 23.920
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
136 ATOM 135 O LEU 17 4.907 56.686 23.391
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
137 ATOM 136 N LYS 18 3.419 56.712 25.063
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
138 ATOM 137 CA LYS 18 4.073 57.812 25.696
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
139 ATOM 138 CB LYS 18 3.250 58.450 26.804
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
140 ATOM 139 CG LYS 18 1.981 59.110 26.250
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
141 ATOM 140 CD LYS 18 1.283 59.918 27.314
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
142 ATOM 141 CE LYS 18 -0.030 60.551 26.872
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
143 ATOM 142 NZ LYS 18 -1.064 60.414 27.945
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
144 ATOM 143 C LYS 18 5.517 57.378 26.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
145 ATOM 144 O LYS 18 6.465 58.142 26.012
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
146 ATOM 145 N GLU 19 5.668 56.161 26.683
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
147 ATOM 146 CA GLU 19 6.918 55.660 27.044
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
148 ATOM 147 CB GLU 19 6.743 54.282 27.690
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
149 ATOM 148 CG GLU 19 5.793 54.309 28.882
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
150 ATOM 149 CD GLU 19 5.528 52.942 29.524
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
151 ATOM 150 OE1 GLU 19 5.672 51.894 28.847
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
152 ATOM 151 OE2 GLU 19 5.140 52.927 30.719
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
153 ATOM 152 C GLU 19 7.895 55.616 25.846
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
154 ATOM 153 O GLU 19 9.047 56.024 25.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
155 ATOM 154 N CYS 20 7.414 55.145 24.697
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
156 ATOM 155 CA CYS 20 8.265 55.087 23.534
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
157 ATOM 156 CB CYS 20 7.551 54.542 22.294
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
158 ATOM 157 SG CYS 20 6.564 53.036 22.530
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
159 ATOM 158 C CYS 20 8.657 56.556 23.114
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
160 ATOM 159 O CYS 20 9.808 56.809 22.773
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
161 ATOM 160 N ALA 21 7.715 57.495 23.169
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
162 ATOM 161 CA ALA 21 8.000 58.836 22.878
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
163 ATOM 162 CB ALA 21 6.730 59.656 22.970
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
164 ATOM 163 C ALA 21 9.109 59.413 23.842
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
165 ATOM 164 O ALA 21 10.052 60.079 23.427
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
166 ATOM 165 N LEU 22 8.958 59.131 25.134
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
167 ATOM 166 CA LEU 22 9.916 59.614 26.054
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
168 ATOM 167 CB LEU 22 9.393 59.402 27.469
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
169 ATOM 168 CG LEU 22 8.223 60.271 27.942
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
170 ATOM 169 CD1 LEU 22 7.752 59.827 29.318
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
171 ATOM 170 CD2 LEU 22 8.680 61.723 27.950
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
172 ATOM 171 C LEU 22 11.316 59.057 25.781
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
173 ATOM 172 O LEU 22 12.315 59.771 25.781
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
174 ATOM 173 N ILE 23 11.351 57.765 25.482
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
175 ATOM 174 CA ILE 23 12.642 57.053 25.216
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
176 ATOM 175 CB ILE 23 12.423 55.499 25.136
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
177 ATOM 176 CG1 ILE 23 11.804 54.978 26.444
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
178 ATOM 177 CG2 ILE 23 13.761 54.781 24.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
179 ATOM 178 CD1 ILE 23 11.203 53.565 26.368
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
180 ATOM 179 C ILE 23 13.208 57.598 23.930
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
181 ATOM 180 O ILE 23 14.407 57.898 23.913
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
182 ATOM 181 N SER 24 12.422 57.701 22.858
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
183 ATOM 182 CA SER 24 12.843 58.202 21.563
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
184 ATOM 183 CB SER 24 11.599 58.163 20.614
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
185 ATOM 184 OG SER 24 10.744 59.265 20.993
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
186 ATOM 185 C SER 24 13.235 59.667 21.543
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
187 ATOM 186 O SER 24 13.882 60.134 20.605
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
188 ATOM 187 N LYS 25 12.948 60.374 22.627
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
189 ATOM 188 CA LYS 25 13.339 61.844 22.744
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
190 ATOM 189 CB LYS 25 12.273 62.568 23.569
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
191 ATOM 190 CG LYS 25 10.846 62.233 23.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
192 ATOM 191 CD LYS 25 10.039 63.490 22.915
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
193 ATOM 192 CE LYS 25 8.580 63.168 22.649
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
194 ATOM 193 NZ LYS 25 7.700 64.325 22.972
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
195 ATOM 194 C LYS 25 14.784 62.009 23.098
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
196 ATOM 195 O LYS 25 15.352 63.028 22.724
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
197 ATOM 196 N THR 26 15.389 61.050 23.791
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
198 ATOM 197 CA THR 26 16.769 61.089 24.174
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
199 ATOM 198 CB THR 26 16.855 60.775 25.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
200 ATOM 199 OG1 THR 26 16.892 59.357 25.838
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
201 ATOM 200 CG2 THR 26 15.641 61.335 26.379
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
202 ATOM 201 C THR 26 17.720 60.151 23.470
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
203 ATOM 202 O THR 26 18.661 59.701 24.129
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
204 ATOM 203 N ALA 27 17.489 59.789 22.211
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
205 ATOM 204 CA ALA 27 18.165 58.874 21.425
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
206 ATOM 205 CB ALA 27 18.486 59.585 20.091
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
207 ATOM 206 C ALA 27 18.525 57.343 21.890
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
208 ATOM 207 O ALA 27 18.718 56.877 23.019
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
209 ATOM 208 N GLY 28 18.291 56.579 20.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
210 ATOM 209 CA GLY 28 18.068 55.045 21.367
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
211 ATOM 210 C GLY 28 17.030 54.278 20.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
212 ATOM 211 O GLY 28 15.936 54.745 20.055
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
213 ATOM 212 N GLY 29 17.397 53.039 20.060
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
214 ATOM 213 CA GLY 29 16.332 52.353 19.371
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
215 ATOM 214 C GLY 29 15.576 51.294 20.212
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
216 ATOM 215 O GLY 29 16.125 50.543 21.022
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
217 ATOM 216 N ILE 30 14.259 51.378 20.075
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
218 ATOM 217 CA ILE 30 13.358 50.441 20.677
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
219 ATOM 218 CB ILE 30 12.111 51.297 20.894
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
220 ATOM 219 CG1 ILE 30 12.423 52.598 21.647
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
221 ATOM 220 CG2 ILE 30 10.920 50.572 21.451
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
222 ATOM 221 CD1 ILE 30 12.785 52.365 23.096
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
223 ATOM 222 C ILE 30 12.657 49.263 20.512
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
224 ATOM 223 O ILE 30 11.642 49.425 19.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
225 ATOM 224 N GLY 31 13.124 48.064 20.839
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
226 ATOM 225 CA GLY 31 12.347 46.829 20.481
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
227 ATOM 226 C GLY 31 11.095 46.467 21.133
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
228 ATOM 227 O GLY 31 11.111 45.838 22.198
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
229 ATOM 228 N LEU 32 9.933 46.888 20.568
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
230 ATOM 229 CA LEU 32 8.668 46.673 21.426
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
231 ATOM 230 CB LEU 32 7.774 47.863 21.032
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
232 ATOM 231 CG LEU 32 8.351 49.284 21.229
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
233 ATOM 232 CD1 LEU 32 7.525 50.324 20.474
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
234 ATOM 233 CD2 LEU 32 8.428 49.624 22.716
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
235 ATOM 234 C LEU 32 7.975 45.274 20.919
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
236 ATOM 235 O LEU 32 7.975 44.793 19.787
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
237 ATOM 236 N HIS 33 7.452 44.644 21.967
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
238 ATOM 237 CA HIS 33 6.716 43.433 21.921
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
239 ATOM 238 CB HIS 33 7.078 42.333 22.935
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
240 ATOM 239 CG HIS 33 6.629 42.469 24.387
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
241 ATOM 240 ND1 HIS 33 5.488 42.092 24.948
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
242 ATOM 241 CD2 HIS 33 7.344 43.101 25.370
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
243 ATOM 242 CE1 HIS 33 5.476 42.447 26.167
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
244 ATOM 243 NE2 HIS 33 6.591 43.114 26.481
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
245 ATOM 244 C HIS 33 5.150 43.653 21.977
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
246 ATOM 245 O HIS 33 4.695 44.173 23.004
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
247 ATOM 246 N ILE 34 4.384 43.331 20.930
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
248 ATOM 247 CA ILE 34 3.033 43.450 21.056
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
249 ATOM 248 CB ILE 34 2.621 44.173 19.766
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
250 ATOM 249 CG1 ILE 34 2.855 43.437 18.474
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
251 ATOM 250 CG2 ILE 34 3.202 45.572 19.768
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
252 ATOM 251 CD1 ILE 34 2.163 43.956 17.243
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
253 ATOM 252 C ILE 34 2.142 42.198 21.063
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
254 ATOM 253 O ILE 34 0.939 42.306 20.818
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
255 ATOM 254 N HIS 35 2.704 41.026 21.354
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
256 ATOM 255 CA HIS 35 1.885 39.824 21.507
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
257 ATOM 256 CB HIS 35 2.614 38.710 22.249
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
258 ATOM 257 CG HIS 35 1.954 37.379 22.083
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
259 ATOM 258 ND1 HIS 35 2.147 36.608 20.966
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
260 ATOM 259 CD2 HIS 35 1.193 36.643 22.929
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
261 ATOM 260 CE1 HIS 35 1.538 35.447 21.126
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
262 ATOM 261 NE2 HIS 35 0.953 35.442 22.307
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
263 ATOM 262 C HIS 35 0.530 39.785 22.252
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
264 ATOM 263 O HIS 35 -0.303 38.918 22.032
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
265 ATOM 264 N ASN 36 0.382 40.704 23.201
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
266 ATOM 265 CA ASN 36 -0.832 40.699 24.018
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
267 ATOM 266 CB ASN 36 -0.528 41.060 25.482
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
268 ATOM 267 CG ASN 36 0.165 42.397 25.634
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
269 ATOM 268 OD1 ASN 36 0.653 42.979 24.666
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
270 ATOM 269 ND2 ASN 36 0.234 42.884 26.865
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
271 ATOM 270 C ASN 36 -2.020 41.382 23.388
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
272 ATOM 271 O ASN 36 -3.150 41.199 23.834
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
273 ATOM 272 N ILE 37 -1.778 42.155 22.337
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
274 ATOM 273 CA ILE 37 -2.855 42.979 21.704
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
275 ATOM 274 CB ILE 37 -2.242 44.029 20.757
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
276 ATOM 275 CG1 ILE 37 -1.451 45.049 21.588
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
277 ATOM 276 CG2 ILE 37 -3.333 44.725 19.957
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
278 ATOM 277 CD1 ILE 37 -0.732 46.100 20.761
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
279 ATOM 278 C ILE 37 -3.763 42.003 20.934
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
280 ATOM 279 O ILE 37 -3.323 41.183 20.120
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
281 ATOM 280 N ARG 38 -5.052 42.100 21.250
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
282 ATOM 281 CA ARG 38 -6.141 41.342 20.658
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
283 ATOM 282 CB ARG 38 -7.450 41.542 21.426
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
284 ATOM 283 CG ARG 38 -7.600 40.645 22.641
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
285 ATOM 284 CD ARG 38 -6.332 40.591 23.488
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
286 ATOM 285 NE ARG 38 -6.617 39.836 24.708
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
287 ATOM 286 CZ ARG 38 -5.848 39.681 25.772
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
288 ATOM 287 NH1 ARG 38 -4.662 40.239 25.853
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
289 ATOM 288 NH2 ARG 38 -6.292 38.943 26.794
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
290 ATOM 289 C ARG 38 -6.255 41.899 19.125
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
291 ATOM 290 O ARG 38 -6.299 43.079 18.774
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
292 ATOM 291 N SER 39 -6.230 40.882 18.266
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
293 ATOM 292 CA SER 39 -6.447 40.798 16.932
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
294 ATOM 293 CB SER 39 -6.007 39.474 16.312
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
295 ATOM 294 OG SER 39 -6.992 38.477 16.550
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
296 ATOM 295 C SER 39 -7.734 41.180 16.415
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
297 ATOM 296 O SER 39 -8.711 41.358 17.168
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
298 ATOM 297 N THR 40 -7.752 41.563 15.127
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
299 ATOM 298 CA THR 40 -8.871 42.000 14.268
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
300 ATOM 299 CB THR 40 -8.417 42.258 12.833
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
301 ATOM 300 OG1 THR 40 -7.316 43.203 12.848
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
302 ATOM 301 CG2 THR 40 -9.542 42.965 12.061
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
303 ATOM 302 C THR 40 -10.052 41.199 14.507
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
304 ATOM 303 O THR 40 -9.969 39.977 14.643
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
305 ATOM 304 N GLY 41 -11.194 41.876 14.633
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
306 ATOM 305 CA GLY 41 -12.512 41.252 14.849
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
307 ATOM 306 C GLY 41 -12.496 40.493 16.140
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
308 ATOM 307 O GLY 41 -12.902 39.334 16.164
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
309 ATOM 308 N SER 42 -12.102 41.168 17.215
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
310 ATOM 309 CA SER 42 -12.039 40.546 18.540
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
311 ATOM 310 CB SER 42 -10.746 40.472 19.348
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
312 ATOM 311 OG SER 42 -9.997 41.652 19.219
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
313 ATOM 312 C SER 42 -13.132 41.560 19.298
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
314 ATOM 313 O SER 42 -13.202 42.779 19.135
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
315 ATOM 314 N TYR 43 -13.914 40.907 20.148
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
316 ATOM 315 CA TYR 43 -14.811 41.687 20.821
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
317 ATOM 316 CB TYR 43 -15.549 40.710 21.705
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
318 ATOM 317 CG TYR 43 -16.658 40.031 20.953
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
319 ATOM 318 CD1 TYR 43 -16.621 39.814 19.578
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
320 ATOM 319 CD2 TYR 43 -17.802 39.632 21.648
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
321 ATOM 320 CE1 TYR 43 -17.671 39.176 18.913
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
322 ATOM 321 CE2 TYR 43 -18.850 38.979 20.986
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
323 ATOM 322 CZ TYR 43 -18.811 38.768 19.604
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
324 ATOM 323 OH TYR 43 -19.840 38.158 18.910
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
325 ATOM 324 C TYR 43 -14.387 42.475 22.036
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
326 ATOM 325 O TYR 43 -13.606 42.086 22.903
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
327 ATOM 326 N ILE 44 -14.798 43.733 21.945
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
328 ATOM 327 CA ILE 44 -14.547 44.860 22.909
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
329 ATOM 328 CB ILE 44 -14.305 46.240 22.286
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
330 ATOM 329 CG1 ILE 44 -13.062 46.140 21.401
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
331 ATOM 330 CG2 ILE 44 -14.149 47.328 23.369
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
332 ATOM 331 CD1 ILE 44 -12.746 47.388 20.665
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
333 ATOM 332 C ILE 44 -15.873 44.905 23.619
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
334 ATOM 333 O ILE 44 -16.982 44.944 23.104
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
335 ATOM 334 N ALA 45 -15.684 44.808 24.927
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
336 ATOM 335 CA ALA 45 -16.725 44.603 26.031
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
337 ATOM 336 CB ALA 45 -16.329 43.700 27.206
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
338 ATOM 337 C ALA 45 -17.134 45.961 26.661
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
339 ATOM 338 O ALA 45 -18.237 46.076 27.170
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
340 ATOM 339 N GLY 46 -16.239 46.944 26.696
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
341 ATOM 340 CA GLY 46 -16.657 48.201 27.322
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
342 ATOM 341 C GLY 46 -17.852 48.833 26.344
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
343 ATOM 342 O GLY 46 -18.750 49.602 26.695
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
344 ATOM 343 N THR 47 -17.515 48.663 25.068
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
345 ATOM 344 CA THR 47 -18.433 49.470 24.180
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
346 ATOM 345 CB THR 47 -17.695 50.403 23.189
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
347 ATOM 346 OG1 THR 47 -16.887 49.627 22.310
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
348 ATOM 347 CG2 THR 47 -16.773 51.351 23.933
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
349 ATOM 348 C THR 47 -19.360 48.543 23.586
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
350 ATOM 349 O THR 47 -20.444 48.954 23.138
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
351 ATOM 350 N ASN 48 -18.962 47.291 23.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
352 ATOM 351 CA ASN 48 -19.897 46.329 22.557
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
353 ATOM 352 CB ASN 48 -21.428 46.431 22.622
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
354 ATOM 353 CG ASN 48 -21.964 45.944 23.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
355 ATOM 354 OD1 ASN 48 -21.216 45.684 24.891
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
356 ATOM 355 ND2 ASN 48 -23.287 45.802 24.053
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
357 ATOM 356 C ASN 48 -19.457 46.503 21.112
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
358 ATOM 357 O ASN 48 -20.255 46.523 20.161
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
359 ATOM 358 N GLY 49 -18.152 46.593 20.888
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
360 ATOM 359 CA GLY 49 -17.563 46.982 19.630
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
361 ATOM 360 C GLY 49 -16.505 45.941 19.122
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
362 ATOM 361 O GLY 49 -16.153 45.015 19.850
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
363 ATOM 362 N THR 50 -16.020 46.121 17.899
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
364 ATOM 363 CA THR 50 -15.001 45.215 17.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
365 ATOM 364 CB THR 50 -15.614 44.644 16.172
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
366 ATOM 365 OG1 THR 50 -16.942 44.177 16.438
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
367 ATOM 366 CG2 THR 50 -14.790 43.496 15.646
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
368 ATOM 367 C THR 50 -13.754 45.905 17.338
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
369 ATOM 368 O THR 50 -13.733 47.136 17.397
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
370 ATOM 369 N SER 51 -12.645 45.165 17.212
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
371 ATOM 370 CA SER 51 -11.226 45.592 17.205
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
372 ATOM 371 CB SER 51 -10.186 44.674 17.859
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
373 ATOM 372 OG SER 51 -10.214 43.403 17.238
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
374 ATOM 373 C SER 51 -10.706 45.669 15.864
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
375 ATOM 374 O SER 51 -10.917 44.627 15.250
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
376 ATOM 375 N ASN 52 -9.978 46.664 15.361
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
377 ATOM 376 CA ASN 52 -9.416 46.541 13.983
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
378 ATOM 377 CB ASN 52 -8.977 47.952 13.568
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
379 ATOM 378 CG ASN 52 -10.148 48.817 13.200
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
380 ATOM 379 OD1 ASN 52 -11.231 48.343 12.847
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
381 ATOM 380 ND2 ASN 52 -9.972 50.135 13.270
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
382 ATOM 381 C ASN 52 -8.128 45.812 13.822
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
383 ATOM 382 O ASN 52 -7.593 45.652 12.720
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
384 ATOM 383 N GLY 53 -7.571 45.377 14.960
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
385 ATOM 384 CA GLY 53 -6.314 44.746 15.242
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
386 ATOM 385 C GLY 53 -4.925 44.964 14.749
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
387 ATOM 386 O GLY 53 -4.766 44.889 13.538
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
388 ATOM 387 N LEU 54 -3.902 45.188 15.588
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
389 ATOM 388 CA LEU 54 -2.585 45.438 15.118
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
390 ATOM 389 CB LEU 54 -1.556 44.458 15.658
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
391 ATOM 390 CG LEU 54 -0.503 44.173 14.581
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
392 ATOM 391 CD1 LEU 54 0.784 43.678 15.191
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
393 ATOM 392 CD2 LEU 54 -1.063 43.189 13.579
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
394 ATOM 393 C LEU 54 -2.029 46.473 14.200
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
395 ATOM 394 O LEU 54 -1.180 47.281 14.591
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
396 ATOM 395 N ILE 55 -2.553 46.573 12.977
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
397 ATOM 396 CA ILE 55 -2.175 47.559 11.968
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
398 ATOM 397 CB ILE 55 -2.525 47.137 10.519
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
399 ATOM 398 CG1 ILE 55 -1.565 46.007 10.111
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
400 ATOM 399 CG2 ILE 55 -2.411 48.315 9.571
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
401 ATOM 400 CD1 ILE 55 -0.170 46.455 9.751
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
402 ATOM 401 C ILE 55 -2.517 49.043 12.204
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
403 ATOM 402 O ILE 55 -1.752 49.941 11.883
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
404 ATOM 403 N PRO 56 -3.721 49.303 12.700
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
405 ATOM 404 CA PRO 56 -4.111 50.731 12.974
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
406 ATOM 405 CB PRO 56 -5.620 50.678 13.221
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
407 ATOM 406 CG PRO 56 -5.811 49.275 13.742
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
408 ATOM 407 CD PRO 56 -4.991 48.491 12.777
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
409 ATOM 408 C PRO 56 -3.316 51.160 14.224
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
410 ATOM 409 O PRO 56 -2.946 52.320 14.306
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
411 ATOM 410 N MET 57 -3.036 50.262 15.144
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
412 ATOM 411 CA MET 57 -2.238 50.528 16.289
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
413 ATOM 412 CB MET 57 -2.352 49.386 17.314
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
414 ATOM 413 CG MET 57 -3.673 49.336 18.070
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
415 ATOM 414 SD MET 57 -3.734 48.020 19.336
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
416 ATOM 415 CE MET 57 -3.261 48.934 20.801
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
417 ATOM 416 C MET 57 -0.761 50.700 15.903
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
418 ATOM 417 O MET 57 -0.112 51.609 16.411
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
419 ATOM 418 N ILE 58 -0.249 49.906 14.965
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
420 ATOM 419 CA ILE 58 1.127 50.044 14.489
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
421 ATOM 420 CB ILE 58 1.476 48.942 13.463
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
422 ATOM 421 CG1 ILE 58 1.456 47.554 14.125
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
423 ATOM 422 CG2 ILE 58 2.824 49.277 12.857
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
424 ATOM 423 CD1 ILE 58 1.676 46.369 13.219
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
425 ATOM 424 C ILE 58 1.293 51.439 13.833
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
426 ATOM 425 O ILE 58 2.336 52.076 13.964
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
427 ATOM 426 N ARG 59 0.254 51.889 13.132
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
428 ATOM 427 CA ARG 59 0.314 53.199 12.474
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
429 ATOM 428 CB ARG 59 -0.932 53.379 11.608
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
430 ATOM 429 CG ARG 59 -0.695 54.085 10.281
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
431 ATOM 430 CD ARG 59 -1.978 54.056 9.450
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
432 ATOM 431 NE ARG 59 -1.878 54.745 8.162
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
433 ATOM 432 CZ ARG 59 -1.638 56.046 8.012
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
434 ATOM 433 NH1 ARG 59 -1.428 56.822 9.069
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
435 ATOM 434 NH2 ARG 59 -1.579 56.569 6.793
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
436 ATOM 435 C ARG 59 0.510 54.343 13.493
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
437 ATOM 436 O ARG 59 1.301 55.248 13.249
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
438 ATOM 437 N VAL 60 -0.160 54.281 14.642
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
439 ATOM 438 CA VAL 60 0.003 55.268 15.656
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
440 ATOM 439 CB VAL 60 -0.995 55.211 16.817
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
441 ATOM 440 CG1 VAL 60 -0.630 56.154 17.983
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
442 ATOM 441 CG2 VAL 60 -2.381 55.560 16.335
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
443 ATOM 442 C VAL 60 1.495 55.313 16.098
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
444 ATOM 443 O VAL 60 2.130 56.373 16.199
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
445 ATOM 444 N PHE 61 2.036 54.119 16.334
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
446 ATOM 445 CA PHE 61 3.465 54.048 16.786
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
447 ATOM 446 CB PHE 61 3.742 52.643 17.309
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
448 ATOM 447 CG PHE 61 2.703 52.150 18.272
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
449 ATOM 448 CD1 PHE 61 2.815 52.417 19.633
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
450 ATOM 449 CD2 PHE 61 1.596 51.437 17.811
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
451 ATOM 450 CE1 PHE 61 1.830 51.980 20.532
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
452 ATOM 451 CE2 PHE 61 0.611 50.998 18.693
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
453 ATOM 452 CZ PHE 61 0.726 51.270 20.060
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
454 ATOM 453 C PHE 61 4.362 54.556 15.647
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
455 ATOM 454 O PHE 61 5.374 55.219 15.866
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
456 ATOM 455 N ASN 62 3.962 54.233 14.418
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
457 ATOM 456 CA ASN 62 4.780 54.684 13.244
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
458 ATOM 457 CB ASN 62 4.077 54.157 11.981
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
459 ATOM 458 CG ASN 62 4.825 54.480 10.708
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
460 ATOM 459 OD1 ASN 62 5.023 55.643 10.372
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
461 ATOM 460 ND2 ASN 62 5.211 53.449 9.970
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
462 ATOM 461 C ASN 62 4.827 56.222 13.196
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
463 ATOM 462 O ASN 62 5.875 56.822 12.977
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
464 ATOM 463 N ASN 63 3.682 56.862 13.422
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
465 ATOM 464 CA ASN 63 3.673 58.290 13.426
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
466 ATOM 465 CB ASN 63 2.234 58.791 13.548
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
467 ATOM 466 CG ASN 63 1.376 58.436 12.336
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
468 ATOM 467 OD1 ASN 63 1.864 57.916 11.332
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
469 ATOM 468 ND2 ASN 63 0.083 58.706 12.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
470 ATOM 469 C ASN 63 4.506 58.869 14.567
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
471 ATOM 470 O ASN 63 5.224 59.842 14.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
472 ATOM 471 N THR 64 4.474 58.250 15.745
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
473 ATOM 472 CA THR 64 5.257 58.637 16.799
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
474 ATOM 473 CB THR 64 4.928 57.649 17.988
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
475 ATOM 474 OG1 THR 64 3.623 58.087 18.492
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
476 ATOM 475 CG2 THR 64 5.943 57.590 19.126
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
477 ATOM 476 C THR 64 6.779 58.537 16.508
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
478 ATOM 477 O THR 64 7.523 59.452 16.846
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
479 ATOM 478 N ALA 65 7.220 57.486 15.819
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
480 ATOM 479 CA ALA 65 8.571 57.349 15.416
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
481 ATOM 480 CB ALA 65 9.845 56.900 14.739
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
482 ATOM 481 C ALA 65 8.986 58.545 14.543
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
483 ATOM 482 O ALA 65 10.047 59.127 14.750
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
484 ATOM 483 N ARG 66 8.128 58.921 13.603
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
485 ATOM 484 CA ARG 66 8.374 60.002 12.684
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
486 ATOM 485 CB ARG 66 7.301 60.027 11.597
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
487 ATOM 486 CG ARG 66 7.784 60.570 10.277
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
488 ATOM 487 CD ARG 66 6.799 60.254 9.170
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
489 ATOM 488 NE ARG 66 7.479 60.005 7.901
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
490 ATOM 489 CZ ARG 66 8.053 58.849 7.574
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
491 ATOM 490 NH1 ARG 66 8.025 57.828 8.424
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
492 ATOM 491 NH2 ARG 66 8.668 58.717 6.404
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
493 ATOM 492 C ARG 66 8.202 61.423 13.295
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
494 ATOM 493 O ARG 66 8.689 62.392 12.692
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
495 ATOM 494 N TYR 67 7.553 61.563 14.454
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
496 ATOM 495 CA TYR 67 7.404 62.790 15.135
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
497 ATOM 496 CB TYR 67 5.900 63.028 15.362
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
498 ATOM 497 CG TYR 67 5.165 63.226 14.069
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
499 ATOM 498 CD1 TYR 67 5.271 64.428 13.384
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
500 ATOM 499 CD2 TYR 67 4.415 62.202 13.495
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
501 ATOM 500 CE1 TYR 67 4.678 64.601 12.132
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
502 ATOM 501 CE2 TYR 67 3.815 62.359 12.249
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
503 ATOM 502 CZ TYR 67 3.947 63.568 11.568
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
504 ATOM 503 OH TYR 67 3.458 63.738 10.286
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
505 ATOM 504 C TYR 67 8.152 63.029 16.342
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
506 ATOM 505 O TYR 67 8.031 64.107 16.903
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
507 ATOM 506 N VAL 68 9.019 62.111 16.744
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
508 ATOM 507 CA VAL 68 9.845 62.259 17.934
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
509 ATOM 508 CB VAL 68 9.857 60.955 18.804
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
510 ATOM 509 CG1 VAL 68 10.732 61.122 20.040
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
511 ATOM 510 CG2 VAL 68 8.446 60.601 19.220
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
512 ATOM 511 C VAL 68 11.288 62.941 17.628
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
513 ATOM 512 O VAL 68 11.913 63.628 18.428
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
514 ATOM 513 N ASP 69 11.829 62.465 16.500
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
515 ATOM 514 CA ASP 69 13.137 62.476 16.016
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
516 ATOM 515 CB ASP 69 13.753 63.747 15.459
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
517 ATOM 516 CG ASP 69 13.672 63.757 13.978
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
518 ATOM 517 OD1 ASP 69 12.818 62.869 13.499
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
519 ATOM 518 OD2 ASP 69 14.322 64.533 13.318
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
520 ATOM 519 C ASP 69 14.503 62.262 16.692
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
521 ATOM 520 O ASP 69 15.511 62.603 16.075
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
522 ATOM 521 N GLN 70 14.561 61.780 17.943
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
523 ATOM 522 CA GLN 70 15.687 61.786 18.768
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
524 ATOM 523 CB GLN 70 17.152 61.376 18.511
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
525 ATOM 524 CG GLN 70 18.002 62.470 17.866
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
526 ATOM 525 CD GLN 70 19.299 61.863 17.347
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
527 ATOM 526 OE1 GLN 70 19.292 60.870 16.624
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
528 ATOM 527 NE2 GLN 70 20.427 62.444 17.747
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
529 ATOM 528 C GLN 70 15.440 62.885 19.882
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
530 ATOM 529 O GLN 70 15.116 62.707 21.084
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
531 ATOM 530 N GLY 71 15.844 64.082 19.391
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
532 ATOM 531 CA GLY 71 15.737 65.222 20.429
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
533 ATOM 532 C GLY 71 15.730 66.388 19.408
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
534 ATOM 533 O GLY 71 16.704 67.147 19.252
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
535 ATOM 534 N GLY 72 14.570 66.557 18.780
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
536 ATOM 535 CA GLY 72 14.445 67.695 17.872
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
537 ATOM 536 C GLY 72 15.486 67.817 16.676
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
538 ATOM 537 O GLY 72 16.649 68.223 16.756
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
539 ATOM 538 N ASN 73 14.947 67.340 15.553
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
540 ATOM 539 CA ASN 73 15.773 67.386 14.334
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
541 ATOM 540 CB ASN 73 16.057 68.806 13.838
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
542 ATOM 541 CG ASN 73 14.795 69.542 13.434
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
543 ATOM 542 OD1 ASN 73 13.756 68.927 13.223
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
544 ATOM 543 ND2 ASN 73 14.882 70.864 13.313
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
545 ATOM 544 C ASN 73 16.670 66.104 14.156
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
546 ATOM 545 O ASN 73 16.826 65.552 13.070
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
547 ATOM 546 N LYS 74 17.388 65.792 15.235
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
548 ATOM 547 CA LYS 74 18.343 64.716 15.095
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
549 ATOM 548 CB LYS 74 19.278 64.756 16.305
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
550 ATOM 549 CG LYS 74 19.939 66.100 16.541
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
551 ATOM 550 CD LYS 74 20.810 66.054 17.781
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
552 ATOM 551 CE LYS 74 21.102 67.449 18.317
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
553 ATOM 552 NZ LYS 74 19.862 68.245 18.543
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
554 ATOM 553 C LYS 74 17.765 63.331 15.121
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
555 ATOM 554 O LYS 74 17.259 63.006 16.198
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
556 ATOM 555 N ARG 75 17.812 62.582 14.080
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
557 ATOM 556 CA ARG 75 17.327 61.270 13.835
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
558 ATOM 557 CB ARG 75 18.333 60.146 14.242
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
559 ATOM 558 CG ARG 75 19.771 60.425 13.811
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
560 ATOM 559 CD ARG 75 19.861 60.224 12.298
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
561 ATOM 560 NE ARG 75 21.055 60.708 11.648
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
562 ATOM 561 CZ ARG 75 21.516 61.811 11.068
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
563 ATOM 562 NH1 ARG 75 20.742 62.905 10.968
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
564 ATOM 563 NH2 ARG 75 22.751 61.939 10.531
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
565 ATOM 564 C ARG 75 15.852 60.771 14.158
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
566 ATOM 565 O ARG 75 15.344 60.767 15.282
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
567 ATOM 566 N PRO 76 15.206 60.342 13.077
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
568 ATOM 567 CA PRO 76 13.870 59.798 13.113
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
569 ATOM 568 CB PRO 76 13.410 59.471 11.691
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
570 ATOM 569 CG PRO 76 14.745 59.223 11.024
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
571 ATOM 570 CD PRO 76 15.729 60.217 11.655
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
572 ATOM 571 C PRO 76 13.781 58.648 14.049
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
573 ATOM 572 O PRO 76 14.704 57.844 14.018
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
574 ATOM 573 N GLY 77 12.725 58.495 14.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
575 ATOM 574 CA GLY 77 12.677 57.366 15.823
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
576 ATOM 575 C GLY 77 12.768 55.936 15.483
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
577 ATOM 576 O GLY 77 11.767 55.485 14.923
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
578 ATOM 577 N ALA 78 13.834 55.171 15.773
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
579 ATOM 578 CA ALA 78 13.703 53.747 15.230
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
580 ATOM 579 CB ALA 78 15.106 53.233 15.389
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
581 ATOM 580 C ALA 78 12.956 52.848 16.046
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
582 ATOM 581 O ALA 78 12.990 52.973 17.264
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
583 ATOM 582 N PHE 79 12.210 51.932 15.453
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
584 ATOM 583 CA PHE 79 11.388 50.967 16.501
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
585 ATOM 584 CB PHE 79 9.909 51.325 16.763
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
586 ATOM 585 CG PHE 79 9.716 52.452 17.747
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
587 ATOM 586 CD1 PHE 79 9.888 52.238 19.108
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
588 ATOM 587 CD2 PHE 79 9.401 53.736 17.309
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
589 ATOM 588 CE1 PHE 79 9.758 53.283 20.023
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
590 ATOM 589 CE2 PHE 79 9.267 54.791 18.219
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
591 ATOM 590 CZ PHE 79 9.447 54.562 19.578
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
592 ATOM 591 C PHE 79 10.969 49.851 15.695
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
593 ATOM 592 O PHE 79 10.428 49.831 14.573
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
594 ATOM 593 N ALA 80 11.426 48.762 16.311
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
595 ATOM 594 CA ALA 80 11.394 47.248 15.853
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
596 ATOM 595 CB ALA 80 12.740 46.544 15.822
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
597 ATOM 596 C ALA 80 10.214 46.667 16.960
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
598 ATOM 597 O ALA 80 10.191 46.803 18.179
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
599 ATOM 598 N LEU 81 9.248 46.069 16.274
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
600 ATOM 599 CA LEU 81 8.157 45.412 16.713
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
601 ATOM 600 CB LEU 81 6.859 45.857 16.037
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
602 ATOM 601 CG LEU 81 6.456 47.320 16.190
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
603 ATOM 602 CD1 LEU 81 5.199 47.587 15.379
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
604 ATOM 603 CD2 LEU 81 6.227 47.646 17.644
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
605 ATOM 604 C LEU 81 8.369 43.810 16.474
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
606 ATOM 605 O LEU 81 8.753 43.264 15.444
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
607 ATOM 606 N TYR 82 8.180 43.161 17.615
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
608 ATOM 607 CA TYR 82 8.195 41.792 17.871
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
609 ATOM 608 CB TYR 82 8.698 41.424 19.247
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
610 ATOM 609 CG TYR 82 10.194 41.292 19.259
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
611 ATOM 610 CD1 TYR 82 11.025 42.000 18.396
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
612 ATOM 611 CD2 TYR 82 10.787 40.389 20.144
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
613 ATOM 612 CE1 TYR 82 12.414 41.853 18.438
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
614 ATOM 613 CE2 TYR 82 12.179 40.251 20.199
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
615 ATOM 614 CZ TYR 82 13.011 40.960 19.326
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
616 ATOM 615 OH TYR 82 14.387 40.826 19.327
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
617 ATOM 616 C TYR 82 6.879 41.116 17.935
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
618 ATOM 617 O TYR 82 5.978 41.651 18.606
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
619 ATOM 618 N LEU 83 6.665 40.006 17.210
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
620 ATOM 619 CA LEU 83 5.305 39.378 17.239
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
621 ATOM 620 CB LEU 83 4.451 39.978 16.103
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
622 ATOM 621 CG LEU 83 2.974 39.539 16.084
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
623 ATOM 622 CD1 LEU 83 2.203 40.078 17.280
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
624 ATOM 623 CD2 LEU 83 2.301 40.001 14.796
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
625 ATOM 624 C LEU 83 5.685 37.910 16.877
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
626 ATOM 625 O LEU 83 6.648 37.529 16.207
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
627 ATOM 626 N GLU 84 4.891 37.061 17.516
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
628 ATOM 627 CA GLU 84 4.951 35.609 17.580
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
629 ATOM 628 CB GLU 84 4.469 34.893 18.843
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
630 ATOM 629 CG GLU 84 4.319 33.383 18.644
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
631 ATOM 630 CD GLU 84 3.930 32.639 19.923
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
632 ATOM 631 OE1 GLU 84 3.670 33.300 20.999
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
633 ATOM 632 OE2 GLU 84 3.861 31.351 19.924
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
634 ATOM 633 C GLU 84 4.005 35.227 16.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
635 ATOM 634 O GLU 84 2.815 35.547 16.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
636 ATOM 635 N PRO 85 4.543 34.591 15.416
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
637 ATOM 636 CA PRO 85 3.752 34.000 14.333
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
638 ATOM 637 CB PRO 85 4.658 32.893 13.745
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
639 ATOM 638 CG PRO 85 6.042 33.499 13.973
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
640 ATOM 639 CD PRO 85 5.911 33.899 15.444
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
641 ATOM 640 C PRO 85 2.235 33.563 14.554
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
642 ATOM 641 O PRO 85 1.371 33.702 13.688
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
643 ATOM 642 N TRP 86 1.978 32.998 15.726
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
644 ATOM 643 CA TRP 86 0.601 32.494 15.986
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
645 ATOM 644 CB TRP 86 0.571 31.613 17.234
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
646 ATOM 645 CG TRP 86 1.236 30.280 17.108
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
647 ATOM 646 CD1 TRP 86 1.774 29.704 15.993
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
648 ATOM 647 CD2 TRP 86 1.404 29.322 18.164
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
649 ATOM 648 NE1 TRP 86 2.278 28.465 16.290
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
650 ATOM 649 CE2 TRP 86 2.061 28.203 17.618
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
651 ATOM 650 CE3 TRP 86 1.060 29.305 19.522
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
652 ATOM 651 CZ2 TRP 86 2.387 27.083 18.379
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
653 ATOM 652 CZ3 TRP 86 1.385 28.191 20.271
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
654 ATOM 653 CH2 TRP 86 2.044 27.095 19.699
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
655 ATOM 654 C TRP 86 -0.474 33.681 16.131
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
656 ATOM 655 O TRP 86 -1.663 33.416 16.264
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
657 ATOM 656 N HIS 87 -0.010 34.923 16.185
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
658 ATOM 657 CA HIS 87 -0.903 36.043 16.345
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
659 ATOM 658 CB HIS 87 -0.071 37.305 16.576
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
660 ATOM 659 CG HIS 87 -0.886 38.498 16.963
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
661 ATOM 660 ND1 HIS 87 -1.789 39.092 16.114
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
662 ATOM 661 CD2 HIS 87 -0.954 39.190 18.130
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
663 ATOM 662 CE1 HIS 87 -2.386 40.098 16.735
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
664 ATOM 663 NE2 HIS 87 -1.894 40.174 17.956
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
665 ATOM 664 C HIS 87 -1.759 36.152 15.032
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
666 ATOM 665 O HIS 87 -1.204 36.223 13.933
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
667 ATOM 666 N ALA 88 -3.078 36.260 15.198
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
668 ATOM 667 CA ALA 88 -3.986 36.372 14.058
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
669 ATOM 668 CB ALA 88 -5.391 36.559 14.611
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
670 ATOM 669 C ALA 88 -3.677 37.430 13.035
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
671 ATOM 670 O ALA 88 -3.934 37.230 11.852
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
672 ATOM 671 N ASP 89 -3.090 38.547 13.464
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
673 ATOM 672 CA ASP 89 -2.785 39.638 12.491
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
674 ATOM 673 CB ASP 89 -2.508 40.944 13.245
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
675 ATOM 674 CG ASP 89 -3.775 41.577 13.827
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
676 ATOM 675 OD1 ASP 89 -4.900 41.097 13.547
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
677 ATOM 676 OD2 ASP 89 -3.638 42.576 14.567
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
678 ATOM 677 C ASP 89 -1.375 39.632 12.021
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
679 ATOM 678 O ASP 89 -0.984 40.608 11.401
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
680 ATOM 679 N ILE 90 -0.682 38.495 12.057
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
681 ATOM 680 CA ILE 90 0.520 38.111 11.424
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
682 ATOM 681 CB ILE 90 1.391 37.086 12.152
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
683 ATOM 682 CG1 ILE 90 1.655 37.596 13.580
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
684 ATOM 683 CG2 ILE 90 2.675 36.831 11.366
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
685 ATOM 684 CD1 ILE 90 2.146 36.521 14.522
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
686 ATOM 685 C ILE 90 0.820 38.466 9.973
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
687 ATOM 686 O ILE 90 1.894 39.012 9.712
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
688 ATOM 687 N PHE 91 -0.039 38.061 9.042
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
689 ATOM 688 CA PHE 91 0.091 38.278 7.616
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
690 ATOM 689 CB PHE 91 -1.126 37.782 6.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
691 ATOM 690 CG PHE 91 -1.083 38.103 5.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
692 ATOM 691 CD1 PHE 91 -0.404 37.283 4.488
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
693 ATOM 692 CD2 PHE 91 -1.747 39.214 4.864
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
694 ATOM 693 CE1 PHE 91 -0.393 37.569 3.138
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
695 ATOM 694 CE2 PHE 91 -1.735 39.498 3.518
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
696 ATOM 695 CZ PHE 91 -1.065 38.681 2.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
697 ATOM 696 C PHE 91 0.262 39.747 7.268
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
698 ATOM 697 O PHE 91 1.106 40.093 6.454
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
699 ATOM 698 N ASP 92 -0.536 40.626 7.868
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
700 ATOM 699 CA ASP 92 -0.359 42.044 7.622
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
701 ATOM 700 CB ASP 92 -1.576 42.842 8.079
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
702 ATOM 701 CG ASP 92 -2.824 42.626 7.234
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
703 ATOM 702 OD1 ASP 92 -2.763 41.975 6.181
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
704 ATOM 703 OD2 ASP 92 -3.874 43.116 7.649
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
705 ATOM 704 C ASP 92 0.798 42.646 8.358
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
706 ATOM 705 O ASP 92 1.341 43.646 7.893
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
707 ATOM 706 N PHE 93 1.242 42.018 9.439
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
708 ATOM 707 CA PHE 93 2.349 42.459 10.252
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
709 ATOM 708 CB PHE 93 2.437 41.680 11.579
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
710 ATOM 709 CG PHE 93 1.641 42.263 12.692
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
711 ATOM 710 CD1 PHE 93 0.986 43.484 12.560
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
712 ATOM 711 CD2 PHE 93 1.517 41.550 13.878
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
713 ATOM 712 CE1 PHE 93 0.250 44.019 13.619
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
714 ATOM 713 CE2 PHE 93 0.789 42.055 14.948
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
715 ATOM 714 CZ PHE 93 0.172 43.298 14.808
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
716 ATOM 715 C PHE 93 3.653 42.300 9.521
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
717 ATOM 716 O PHE 93 4.455 43.240 9.491
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
718 ATOM 717 N ILE 94 3.893 41.125 8.939
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
719 ATOM 718 CA ILE 94 5.148 40.830 8.190
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
720 ATOM 719 CB ILE 94 5.263 39.336 7.747
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
721 ATOM 720 CG1 ILE 94 4.111 38.951 6.816
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
722 ATOM 721 CG2 ILE 94 5.325 38.423 8.968
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
723 ATOM 722 CD1 ILE 94 4.145 37.500 6.366
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
724 ATOM 723 C ILE 94 5.345 41.860 7.045
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
725 ATOM 724 O ILE 94 6.472 42.289 6.833
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
726 ATOM 725 N ASP 95 4.290 42.171 6.301
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
727 ATOM 726 CA ASP 95 4.295 43.157 5.231
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
728 ATOM 727 CB ASP 95 2.993 43.103 4.442
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
729 ATOM 728 CG ASP 95 2.892 41.880 3.535
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
730 ATOM 729 OD1 ASP 95 3.854 41.151 3.278
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
731 ATOM 730 OD2 ASP 95 1.746 41.669 3.082
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
732 ATOM 731 C ASP 95 4.266 44.628 5.548
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
733 ATOM 732 O ASP 95 3.889 45.401 4.663
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
734 ATOM 733 N ILE 96 4.601 45.027 6.771
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
735 ATOM 734 CA ILE 96 4.434 46.431 7.145
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
736 ATOM 735 CB ILE 96 4.851 46.683 8.589
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
737 ATOM 736 CG1 ILE 96 4.194 45.685 9.553
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
738 ATOM 737 CG2 ILE 96 4.627 48.150 8.956
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
739 ATOM 738 CD1 ILE 96 2.675 45.807 9.623
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
740 ATOM 739 C ILE 96 5.325 47.271 6.219
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
741 ATOM 740 O ILE 96 4.871 48.318 5.760
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
742 ATOM 741 N ARG 97 6.532 46.802 5.895
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
743 ATOM 742 CA ARG 97 7.450 47.544 5.045
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
744 ATOM 743 CB ARG 97 8.840 46.911 5.180
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
745 ATOM 744 CG ARG 97 9.722 47.560 6.232
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
746 ATOM 745 CD ARG 97 10.721 48.513 5.600
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
747 ATOM 746 NE ARG 97 12.046 48.408 6.208
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
748 ATOM 747 CZ ARG 97 13.033 47.665 5.720
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
749 ATOM 748 NH1 ARG 97 12.848 46.957 4.614
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
750 ATOM 749 NH2 ARG 97 14.207 47.630 6.336
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
751 ATOM 750 C ARG 97 7.208 47.527 3.497
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
752 ATOM 751 O ARG 97 7.743 48.406 2.830
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
753 ATOM 752 N LYS 98 6.545 46.526 2.945
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
754 ATOM 753 CA LYS 98 6.243 46.469 1.584
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
755 ATOM 754 CB LYS 98 5.077 45.538 1.242
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
756 ATOM 755 CG LYS 98 5.257 44.110 1.740
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
757 ATOM 756 CD LYS 98 4.121 43.212 1.261
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
758 ATOM 757 CE LYS 98 4.163 42.984 -0.246
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
759 ATOM 758 NZ LYS 98 5.302 42.112 -0.661
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
760 ATOM 759 C LYS 98 5.827 47.715 0.750
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
761 ATOM 760 O LYS 98 4.839 48.403 0.997
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
762 ATOM 761 N ASN 99 6.661 47.979 -0.253
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
763 ATOM 762 CA ASN 99 6.495 49.063 -1.146
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
764 ATOM 763 CB ASN 99 7.789 49.563 -1.815
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
765 ATOM 764 CG ASN 99 7.600 50.901 -2.537
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
766 ATOM 765 OD1 ASN 99 6.496 51.245 -2.965
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
767 ATOM 766 ND2 ASN 99 8.683 51.657 -2.672
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
768 ATOM 767 C ASN 99 5.558 48.939 -2.303
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
769 ATOM 768 O ASN 99 5.872 49.079 -3.484
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
770 ATOM 769 N HIS 100 4.330 48.589 -1.921
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
771 ATOM 770 CA HIS 100 3.217 48.441 -2.945
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
772 ATOM 771 CB HIS 100 3.206 47.106 -3.707
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
773 ATOM 772 CG HIS 100 4.431 46.870 -4.537
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
774 ATOM 773 ND1 HIS 100 4.639 47.489 -5.751
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
775 ATOM 774 CD2 HIS 100 5.527 46.107 -4.309
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
776 ATOM 775 CE1 HIS 100 5.814 47.121 -6.234
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
777 ATOM 776 NE2 HIS 100 6.371 46.284 -5.378
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
778 ATOM 777 C HIS 100 1.903 49.020 -2.194
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
779 ATOM 778 O HIS 100 1.929 49.546 -1.085
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
780 ATOM 779 N GLY 101 0.823 48.983 -2.961
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
781 ATOM 780 CA GLY 101 -0.379 49.589 -2.579
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
782 ATOM 781 C GLY 101 -0.812 49.380 -1.191
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
783 ATOM 782 O GLY 101 -0.084 48.830 -0.369
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
784 ATOM 783 N LYS 102 -2.066 49.784 -0.971
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
785 ATOM 784 CA LYS 102 -2.799 49.597 0.358
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
786 ATOM 785 CB LYS 102 -2.932 48.135 0.798
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
787 ATOM 786 CG LYS 102 -3.587 47.247 -0.261
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
788 ATOM 787 CD LYS 102 -3.661 45.806 0.204
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
789 ATOM 788 CE LYS 102 -4.407 44.933 -0.779
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
790 ATOM 789 NZ LYS 102 -3.668 44.750 -2.068
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
791 ATOM 790 C LYS 102 -1.983 50.502 1.246
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
792 ATOM 791 O LYS 102 -1.056 49.882 1.792
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
793 ATOM 792 N GLU 103 -2.177 51.802 1.270
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
794 ATOM 793 CA GLU 103 -1.222 52.562 2.129
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
795 ATOM 794 CB GLU 103 -1.090 53.931 1.435
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
796 ATOM 795 CG GLU 103 0.217 54.126 0.688
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
797 ATOM 796 CD GLU 103 0.108 55.260 -0.322
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
798 ATOM 797 OE1 GLU 103 -1.011 55.781 -0.580
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
799 ATOM 798 OE2 GLU 103 1.190 55.619 -0.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
800 ATOM 799 C GLU 103 -1.667 52.544 3.585
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
801 ATOM 800 O GLU 103 -0.895 52.673 4.533
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
802 ATOM 801 N GLU 104 -2.983 52.393 3.740
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
803 ATOM 802 CA GLU 104 -3.556 52.501 5.174
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
804 ATOM 803 CB GLU 104 -5.089 52.569 5.206
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
805 ATOM 804 CG GLU 104 -5.612 53.966 4.895
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
806 ATOM 805 CD GLU 104 -5.735 54.254 3.414
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
807 ATOM 806 OE1 GLU 104 -5.243 53.460 2.579
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
808 ATOM 807 OE2 GLU 104 -6.287 55.326 3.072
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
809 ATOM 808 C GLU 104 -3.001 51.309 5.924
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
810 ATOM 809 O GLU 104 -2.672 51.551 7.084
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
811 ATOM 810 N ILE 105 -2.791 50.124 5.344
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
812 ATOM 811 CA ILE 105 -2.242 48.964 5.938
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
813 ATOM 812 CB ILE 105 -2.320 47.790 4.944
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
814 ATOM 813 CG1 ILE 105 -3.782 47.555 4.548
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
815 ATOM 814 CG2 ILE 105 -1.686 46.540 5.539
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
816 ATOM 815 CD1 ILE 105 -3.958 46.655 3.340
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
817 ATOM 816 C ILE 105 -0.632 48.888 6.112
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
818 ATOM 817 O ILE 105 -0.137 47.784 6.390
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
819 ATOM 818 N ARG 106 0.116 49.922 5.747
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
820 ATOM 819 CA ARG 106 1.526 49.688 5.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
821 ATOM 820 CB ARG 106 2.276 49.869 4.532
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
822 ATOM 821 CG ARG 106 1.845 49.034 3.329
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
823 ATOM 822 CD ARG 106 2.308 47.558 3.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
824 ATOM 823 NE ARG 106 1.633 46.767 2.386
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
825 ATOM 824 CZ ARG 106 0.539 46.016 2.433
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
826 ATOM 825 NH1 ARG 106 -0.067 45.833 3.605
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
827 ATOM 826 NH2 ARG 106 0.068 45.564 1.267
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
828 ATOM 827 C ARG 106 2.468 50.394 6.549
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
829 ATOM 828 O ARG 106 2.769 51.409 5.914
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
830 ATOM 829 N ALA 107 2.873 50.173 7.794
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
831 ATOM 830 CA ALA 107 3.866 51.161 8.487
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
832 ATOM 831 CB ALA 107 3.873 50.668 9.932
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
833 ATOM 832 C ALA 107 5.045 51.727 8.014
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
834 ATOM 833 O ALA 107 5.172 52.891 8.368
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
835 ATOM 834 N ARG 108 5.911 51.119 7.208
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
836 ATOM 835 CA ARG 108 6.981 51.978 6.597
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
837 ATOM 836 CB ARG 108 6.538 52.803 5.369
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
838 ATOM 837 CG ARG 108 5.464 52.168 4.527
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
839 ATOM 838 CD ARG 108 5.325 52.873 3.192
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
840 ATOM 839 NE ARG 108 4.424 54.018 3.242
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
841 ATOM 840 CZ ARG 108 4.148 54.680 2.134
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
842 ATOM 841 NH1 ARG 108 4.645 54.316 0.955
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
843 ATOM 842 NH2 ARG 108 3.341 55.697 2.201
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
844 ATOM 843 C ARG 108 8.156 52.268 7.525
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
845 ATOM 844 O ARG 108 9.197 51.624 7.379
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
846 ATOM 845 N ASP 109 8.030 53.266 8.395
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
847 ATOM 846 CA ASP 109 9.019 53.717 9.344
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
848 ATOM 847 CB ASP 109 8.500 54.766 10.330
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
849 ATOM 848 CG ASP 109 8.220 56.109 9.676
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
850 ATOM 849 OD1 ASP 109 8.523 56.269 8.478
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
851 ATOM 850 OD2 ASP 109 7.688 57.009 10.366
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
852 ATOM 851 C ASP 109 9.441 52.732 10.296
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
853 ATOM 852 O ASP 109 10.685 52.882 10.566
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
854 ATOM 853 N LEU 110 8.721 51.726 10.771
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
855 ATOM 854 CA LEU 110 8.963 50.573 11.581
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
856 ATOM 855 CB LEU 110 7.665 50.349 12.385
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
857 ATOM 856 CG LEU 110 7.066 51.578 13.108
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
858 ATOM 857 CD1 LEU 110 5.686 51.174 13.669
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
859 ATOM 858 CD2 LEU 110 7.975 51.863 14.305
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
860 ATOM 859 C LEU 110 9.529 49.202 10.638
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
861 ATOM 860 O LEU 110 9.648 49.001 9.426
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
862 ATOM 861 N PHE 111 10.097 48.437 11.582
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
863 ATOM 862 CA PHE 111 10.741 47.219 11.481
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
864 ATOM 863 CB PHE 111 12.182 47.135 11.966
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
865 ATOM 864 CG PHE 111 13.125 48.007 11.212
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
866 ATOM 865 CD1 PHE 111 13.581 47.635 9.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
867 ATOM 866 CD2 PHE 111 13.582 49.192 11.770
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
868 ATOM 867 CE1 PHE 111 14.486 48.432 9.259
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
869 ATOM 868 CE2 PHE 111 14.483 49.995 11.089
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
870 ATOM 869 CZ PHE 111 14.938 49.616 9.829
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
871 ATOM 870 C PHE 111 9.958 46.188 12.418
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
872 ATOM 871 O PHE 111 9.564 46.319 13.573
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
873 ATOM 872 N PRO 112 9.640 45.151 11.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
874 ATOM 873 CA PRO 112 8.927 43.899 11.888
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
875 ATOM 874 CB PRO 112 7.960 43.565 10.785
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
876 ATOM 875 CG PRO 112 8.698 43.954 9.502
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
877 ATOM 876 CD PRO 112 9.769 44.960 9.875
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
878 ATOM 877 C PRO 112 9.761 42.817 12.321
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
879 ATOM 878 O PRO 112 10.540 42.440 11.496
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
880 ATOM 879 N ALA 113 9.716 42.306 13.508
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
881 ATOM 880 CA ALA 113 10.646 41.064 13.698
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
882 ATOM 881 CB ALA 113 11.821 41.430 14.590
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
883 ATOM 882 C ALA 113 9.496 40.056 14.404
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
884 ATOM 883 O ALA 113 8.410 40.241 14.952
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
885 ATOM 884 N LEU 114 9.913 38.851 14.027
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
886 ATOM 885 CA LEU 114 9.415 37.548 14.271
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
887 ATOM 886 CB LEU 114 9.409 36.558 13.105
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
888 ATOM 887 CG LEU 114 8.766 35.193 13.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
889 ATOM 888 CD1 LEU 114 7.294 35.362 13.695
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
890 ATOM 889 CD2 LEU 114 8.947 34.311 12.146
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
891 ATOM 890 C LEU 114 9.763 36.825 15.349
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
892 ATOM 891 O LEU 114 10.861 36.301 15.176
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
893 ATOM 892 N TRP 115 9.087 36.731 16.492
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
894 ATOM 893 CA TRP 115 9.639 36.030 17.736
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
895 ATOM 894 CB TRP 115 8.520 36.110 18.780
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
896 ATOM 895 CG TRP 115 7.968 37.476 19.039
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
897 ATOM 896 CD1 TRP 115 8.429 38.673 18.551
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
898 ATOM 897 CD2 TRP 115 6.862 37.788 19.886
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
899 ATOM 898 NE1 TRP 115 7.669 39.711 19.048
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
900 ATOM 899 CE2 TRP 115 6.700 39.195 19.869
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
901 ATOM 900 CE3 TRP 115 5.990 37.017 20.661
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
902 ATOM 901 CZ2 TRP 115 5.690 39.843 20.601
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
903 ATOM 902 CZ3 TRP 115 4.987 37.668 21.390
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
904 ATOM 903 CH2 TRP 115 4.847 39.058 21.351
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
905 ATOM 904 C TRP 115 9.010 34.629 17.432
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
906 ATOM 905 O TRP 115 7.818 34.402 17.624
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
907 ATOM 906 N ILE 116 9.824 33.765 16.841
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
908 ATOM 907 CA ILE 116 9.575 32.420 16.431
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
909 ATOM 908 CB ILE 116 10.488 32.175 15.204
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
910 ATOM 909 CG1 ILE 116 10.163 33.115 14.025
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
911 ATOM 910 CG2 ILE 116 10.482 30.718 14.808
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
912 ATOM 911 CD1 ILE 116 11.371 33.574 13.238
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
913 ATOM 912 C ILE 116 9.857 31.346 17.633
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
914 ATOM 913 O ILE 116 10.850 31.311 18.360
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
915 ATOM 914 N PRO 117 8.835 30.508 17.774
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
916 ATOM 915 CA PRO 117 8.814 29.424 18.694
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
917 ATOM 916 CB PRO 117 7.383 29.280 19.325
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
918 ATOM 917 CG PRO 117 6.483 29.718 18.183
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
919 ATOM 918 CD PRO 117 7.275 30.740 17.365
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
920 ATOM 919 C PRO 117 9.255 28.151 17.658
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
921 ATOM 920 O PRO 117 9.147 28.123 16.428
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
922 ATOM 921 N ASP 118 9.878 27.195 18.336
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
923 ATOM 922 CA ASP 118 10.334 26.056 17.651
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
924 ATOM 923 CB ASP 118 11.073 25.157 18.641
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
925 ATOM 924 CG ASP 118 11.380 23.805 18.070
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
926 ATOM 925 OD1 ASP 118 12.163 23.730 17.095
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
927 ATOM 926 OD2 ASP 118 10.818 22.818 18.595
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
928 ATOM 927 C ASP 118 9.226 25.278 16.978
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
929 ATOM 928 O ASP 118 9.399 24.693 15.895
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
930 ATOM 929 N LEU 119 8.055 25.322 17.611
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
931 ATOM 930 CA LEU 119 6.863 24.580 17.071
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
932 ATOM 931 CB LEU 119 5.686 24.633 18.049
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
933 ATOM 932 CG LEU 119 5.030 26.016 18.197
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
934 ATOM 933 CD1 LEU 119 3.813 26.170 17.279
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
935 ATOM 934 CD2 LEU 119 4.651 26.238 19.644
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
936 ATOM 935 C LEU 119 6.496 25.088 15.670
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
937 ATOM 936 O LEU 119 6.194 24.264 14.813
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
938 ATOM 937 N PHE 120 6.580 26.389 15.400
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
939 ATOM 938 CA PHE 120 6.394 26.919 14.122
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
940 ATOM 939 CB PHE 120 6.479 28.427 14.102
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
941 ATOM 940 CG PHE 120 5.346 29.193 14.680
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
942 ATOM 941 CD1 PHE 120 5.220 29.368 16.045
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
943 ATOM 942 CD2 PHE 120 4.438 29.872 13.864
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
944 ATOM 943 CE1 PHE 120 4.216 30.176 16.546
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
945 ATOM 944 CE2 PHE 120 3.402 30.621 14.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
946 ATOM 945 CZ PHE 120 3.286 30.808 15.720
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
947 ATOM 946 C PHE 120 7.372 26.269 13.070
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
948 ATOM 947 O PHE 120 6.987 25.866 11.978
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
949 ATOM 948 N MET 121 8.649 26.193 13.442
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
950 ATOM 949 CA MET 121 9.559 25.623 12.574
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
951 ATOM 950 CB MET 121 10.956 25.722 13.189
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
952 ATOM 951 CG MET 121 11.464 27.144 13.177
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
953 ATOM 952 SD MET 121 12.958 27.440 14.113
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
954 ATOM 953 CE MET 121 14.203 26.817 12.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
955 ATOM 954 C MET 121 9.236 24.127 12.257
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
956 ATOM 955 O MET 121 9.329 23.576 11.162
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
957 ATOM 956 N LYS 122 8.844 23.486 13.357
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
958 ATOM 957 CA LYS 122 8.585 21.986 13.168
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
959 ATOM 958 CB LYS 122 8.443 21.214 14.468
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
960 ATOM 959 CG LYS 122 9.746 21.013 15.251
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
961 ATOM 960 CD LYS 122 9.421 20.840 16.726
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
962 ATOM 961 CE LYS 122 10.446 20.000 17.471
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
963 ATOM 962 NZ LYS 122 9.932 19.609 18.818
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
964 ATOM 963 C LYS 122 7.336 21.803 12.237
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
965 ATOM 964 O LYS 122 7.321 20.958 11.349
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
966 ATOM 965 N ARG 123 6.314 22.632 12.442
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
967 ATOM 966 CA ARG 123 5.130 22.537 11.599
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
968 ATOM 967 CB ARG 123 3.989 23.400 12.085
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
969 ATOM 968 CG ARG 123 3.282 23.025 13.374
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
970 ATOM 969 CD ARG 123 2.766 21.626 13.420
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
971 ATOM 970 NE ARG 123 2.171 21.280 14.738
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
972 ATOM 971 CZ ARG 123 1.320 20.268 14.912
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
973 ATOM 972 NH1 ARG 123 0.899 19.552 13.891
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
974 ATOM 973 NH2 ARG 123 0.823 20.012 16.119
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
975 ATOM 974 C ARG 123 5.471 22.839 10.171
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
976 ATOM 975 O ARG 123 4.924 22.178 9.297
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
977 ATOM 976 N VAL 124 6.309 23.839 9.919
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
978 ATOM 977 CA VAL 124 6.763 24.243 8.611
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
979 ATOM 978 CB VAL 124 7.698 25.497 8.659
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
980 ATOM 979 CG1 VAL 124 8.382 25.737 7.314
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
981 ATOM 980 CG2 VAL 124 6.900 26.722 9.055
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
982 ATOM 981 C VAL 124 7.456 23.063 7.887
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
983 ATOM 982 O VAL 124 7.127 22.675 6.764
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
984 ATOM 983 N GLU 125 8.445 22.499 8.589
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
985 ATOM 984 CA GLU 125 9.226 21.371 7.955
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
986 ATOM 985 CB GLU 125 10.637 21.276 8.600
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
987 ATOM 986 CG GLU 125 11.439 22.488 8.101
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
988 ATOM 987 CD GLU 125 12.527 22.894 9.073
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
989 ATOM 988 OE1 GLU 125 12.702 22.187 10.079
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
990 ATOM 989 OE2 GLU 125 13.299 23.820 8.739
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
991 ATOM 990 C GLU 125 8.324 20.203 7.755
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
992 ATOM 991 O GLU 125 8.381 19.620 6.667
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
993 ATOM 992 N GLU 126 7.520 19.813 8.744
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
994 ATOM 993 CA GLU 126 6.589 18.683 8.672
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
995 ATOM 994 CB GLU 126 5.699 18.594 9.917
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
996 ATOM 995 CG GLU 126 5.778 17.274 10.639
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
997 ATOM 996 CD GLU 126 7.000 17.160 11.526
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
998 ATOM 997 OE1 GLU 126 7.030 17.808 12.598
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
999 ATOM 998 OE2 GLU 126 7.934 16.420 11.151
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1000 ATOM 999 C GLU 126 5.592 18.772 7.496
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1001 ATOM 1000 O GLU 126 4.938 17.806 7.077
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1002 ATOM 1001 N ASN 127 5.331 20.015 7.066
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1003 ATOM 1002 CA ASN 127 4.268 20.387 6.136
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1004 ATOM 1003 CB ASN 127 4.333 19.547 4.842
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1005 ATOM 1004 CG ASN 127 5.745 19.497 4.253
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1006 ATOM 1005 OD1 ASN 127 6.216 20.476 3.639
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1007 ATOM 1006 ND2 ASN 127 6.444 18.372 4.467
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1008 ATOM 1007 C ASN 127 2.931 20.157 6.746
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1009 ATOM 1008 O ASN 127 1.995 19.552 6.199
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1010 ATOM 1009 N GLY 128 2.748 20.739 7.925
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1011 ATOM 1010 CA GLY 128 1.724 20.525 8.990
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1012 ATOM 1011 C GLY 128 0.927 21.922 9.221
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1013 ATOM 1012 O GLY 128 1.287 23.008 8.759
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1014 ATOM 1013 N THR 129 -0.205 21.773 9.910
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1015 ATOM 1014 CA THR 129 -0.938 22.978 10.158
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1016 ATOM 1015 CB THR 129 -2.317 22.605 10.741
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1017 ATOM 1016 OG1 THR 129 -2.154 22.045 12.051
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1018 ATOM 1017 CG2 THR 129 -3.028 21.606 9.843
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1019 ATOM 1018 C THR 129 -0.631 24.131 11.163
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1020 ATOM 1019 O THR 129 -0.325 23.744 12.292
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1021 ATOM 1020 N TRP 130 -0.746 25.417 10.853
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1022 ATOM 1021 CA TRP 130 -0.556 26.273 12.035
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1023 ATOM 1022 CB TRP 130 0.197 27.420 11.381
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1024 ATOM 1023 CG TRP 130 0.838 28.417 12.290
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1025 ATOM 1024 CD1 TRP 130 1.509 28.170 13.448
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1026 ATOM 1025 CD2 TRP 130 0.945 29.832 12.069
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1027 ATOM 1026 NE1 TRP 130 2.004 29.337 13.975
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1028 ATOM 1027 CE2 TRP 130 1.650 30.372 13.157
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1029 ATOM 1028 CE3 TRP 130 0.459 30.691 11.077
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1030 ATOM 1029 CZ2 TRP 130 1.926 31.733 13.262
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1031 ATOM 1030 CZ3 TRP 130 0.757 32.037 11.183
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1032 ATOM 1031 CH2 TRP 130 1.458 32.560 12.271
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1033 ATOM 1032 C TRP 130 -1.933 26.963 12.511
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1034 ATOM 1033 O TRP 130 -2.815 27.249 11.700
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1035 ATOM 1034 N THR 131 -2.024 27.255 13.803
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1036 ATOM 1035 CA THR 131 -3.172 27.967 14.180
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1037 ATOM 1036 CB THR 131 -3.565 27.248 15.475
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1038 ATOM 1037 OG1 THR 131 -3.806 25.872 15.179
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1039 ATOM 1038 CG2 THR 131 -4.821 27.845 16.106
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1040 ATOM 1039 C THR 131 -2.774 29.443 14.630
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1041 ATOM 1040 O THR 131 -1.742 29.790 15.204
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1042 ATOM 1041 N LEU 132 -3.691 30.312 14.215
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1043 ATOM 1042 CA LEU 132 -3.671 31.713 14.460
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1044 ATOM 1043 CB LEU 132 -3.930 32.559 13.212
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1045 ATOM 1044 CG LEU 132 -3.994 34.076 13.409
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1046 ATOM 1045 CD1 LEU 132 -2.662 34.594 13.922
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1047 ATOM 1046 CD2 LEU 132 -4.364 34.741 12.101
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1048 ATOM 1047 C LEU 132 -4.683 32.051 15.534
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1049 ATOM 1048 O LEU 132 -5.874 31.783 15.386
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1050 ATOM 1049 N PHE 133 -4.199 32.644 16.621
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1051 ATOM 1050 CA PHE 133 -5.048 33.014 17.769
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1052 ATOM 1051 CB PHE 133 -4.533 32.335 19.057
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1053 ATOM 1052 CG PHE 133 -4.631 30.822 19.053
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1054 ATOM 1053 CD1 PHE 133 -3.583 30.040 18.594
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1055 ATOM 1054 CD2 PHE 133 -5.777 30.224 19.550
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1056 ATOM 1055 CE1 PHE 133 -3.693 28.657 18.649
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1057 ATOM 1056 CE2 PHE 133 -5.921 28.848 19.553
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1058 ATOM 1057 CZ PHE 133 -4.867 28.074 19.108
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1059 ATOM 1058 C PHE 133 -5.076 34.327 18.281
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1060 ATOM 1059 O PHE 133 -3.950 34.852 18.328
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1061 ATOM 1060 N SER 134 -6.191 34.978 18.635
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1062 ATOM 1061 CA SER 134 -6.103 36.321 19.160
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1063 ATOM 1062 CB SER 134 -7.570 36.664 18.925
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1064 ATOM 1063 OG SER 134 -8.394 35.863 19.771
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1065 ATOM 1064 C SER 134 -5.188 36.854 20.255
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1066 ATOM 1065 O SER 134 -4.818 38.039 20.298
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1067 ATOM 1066 N PRO 135 -4.945 36.001 21.236
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1068 ATOM 1067 CA PRO 135 -4.264 36.449 22.521
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1069 ATOM 1068 CB PRO 135 -3.317 36.965 23.586
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1070 ATOM 1069 CG PRO 135 -1.999 36.967 22.808
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1071 ATOM 1070 CD PRO 135 -2.392 37.494 21.416
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1072 ATOM 1071 C PRO 135 -5.425 36.247 23.514
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1073 ATOM 1072 O PRO 135 -5.309 35.293 24.299
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1074 ATOM 1073 N THR 136 -6.509 37.027 23.462
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1075 ATOM 1074 CA THR 136 -7.668 36.933 24.213
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1076 ATOM 1075 CB THR 136 -8.808 37.894 23.776
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1077 ATOM 1076 OG1 THR 136 -8.262 39.226 23.828
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1078 ATOM 1077 CG2 THR 136 -9.936 37.914 24.818
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1079 ATOM 1078 C THR 136 -8.214 35.497 24.260
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1080 ATOM 1079 O THR 136 -8.487 34.939 25.319
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1081 ATOM 1080 N SER 137 -8.323 34.899 23.080
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1082 ATOM 1081 CA SER 137 -8.883 33.500 22.957
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1083 ATOM 1082 CB SER 137 -9.056 33.138 21.445
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1084 ATOM 1083 OG SER 137 -10.228 33.854 21.017
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1085 ATOM 1084 C SER 137 -7.950 32.489 23.451
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1086 ATOM 1085 O SER 137 -8.457 31.473 23.910
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1087 ATOM 1086 N ALA 138 -6.635 32.700 23.399
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1088 ATOM 1087 CA ALA 138 -5.591 31.820 23.824
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1089 ATOM 1088 CB ALA 138 -4.372 31.898 22.926
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1090 ATOM 1089 C ALA 138 -4.837 32.557 24.866
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1091 ATOM 1090 O ALA 138 -4.128 33.425 24.357
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1092 ATOM 1091 N PRO 139 -4.870 32.348 26.185
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1093 ATOM 1092 CA PRO 139 -3.908 33.546 26.799
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1094 ATOM 1093 CB PRO 139 -4.807 34.014 27.936
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1095 ATOM 1094 CG PRO 139 -5.737 32.803 28.159
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1096 ATOM 1095 CD PRO 139 -5.760 32.002 26.852
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1097 ATOM 1096 C PRO 139 -2.678 32.847 27.126
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1098 ATOM 1097 O PRO 139 -2.688 31.617 26.949
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1099 ATOM 1098 N GLY 140 -1.598 33.563 27.492
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1100 ATOM 1099 CA GLY 140 -0.348 32.973 28.087
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1101 ATOM 1100 C GLY 140 0.697 32.350 27.115
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1102 ATOM 1101 O GLY 140 1.792 32.062 27.597
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1103 ATOM 1102 N LEU 141 0.459 32.190 25.831
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1104 ATOM 1103 CA LEU 141 1.377 31.807 24.904
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1105 ATOM 1104 CB LEU 141 0.794 31.818 23.488
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1106 ATOM 1105 CG LEU 141 -0.263 30.753 23.177
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1107 ATOM 1106 CD1 LEU 141 -0.852 30.977 21.793
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1108 ATOM 1107 CD2 LEU 141 0.328 29.353 23.308
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1109 ATOM 1108 C LEU 141 2.745 32.448 25.001
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1110 ATOM 1109 O LEU 141 3.763 31.759 25.087
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1111 ATOM 1110 N SER 142 2.770 33.786 25.016
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1112 ATOM 1111 CA SER 142 4.042 34.520 25.106
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1113 ATOM 1112 CB SER 142 3.749 35.973 24.741
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1114 ATOM 1113 OG SER 142 3.093 36.647 25.795
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1115 ATOM 1114 C SER 142 4.756 34.446 26.465
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1116 ATOM 1115 O SER 142 5.928 34.781 26.560
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1117 ATOM 1116 N ASP 143 4.038 34.028 27.502
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1118 ATOM 1117 CA ASP 143 4.576 33.941 28.849
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1119 ATOM 1118 CB ASP 143 3.509 33.755 29.939
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1120 ATOM 1119 CG ASP 143 2.553 34.927 30.048
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1121 ATOM 1120 OD1 ASP 143 2.801 35.992 29.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1122 ATOM 1121 OD2 ASP 143 1.533 34.765 30.755
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1123 ATOM 1122 C ASP 143 5.500 32.780 28.960
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1124 ATOM 1123 O ASP 143 6.584 33.035 29.494
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1125 ATOM 1124 N CYS 144 5.207 31.599 28.426
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1126 ATOM 1125 CA CYS 144 5.947 30.378 28.375
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1127 ATOM 1126 CB CYS 144 4.955 29.387 29.005
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1128 ATOM 1127 SG CYS 144 5.640 27.774 29.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1129 ATOM 1128 C CYS 144 6.654 29.972 26.992
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1130 ATOM 1129 O CYS 144 6.072 30.211 25.943
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1131 ATOM 1130 N TYR 145 7.807 29.302 27.050
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1132 ATOM 1131 CA TYR 145 8.362 28.713 25.905
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1133 ATOM 1132 CB TYR 145 9.604 29.589 25.678
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1134 ATOM 1133 CG TYR 145 9.325 31.063 25.464
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1135 ATOM 1134 CD1 TYR 145 9.273 31.946 26.543
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1136 ATOM 1135 CD2 TYR 145 9.120 31.577 24.185
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1137 ATOM 1136 CE1 TYR 145 9.022 33.299 26.354
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1138 ATOM 1137 CE2 TYR 145 8.866 32.934 23.985
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1139 ATOM 1138 CZ TYR 145 8.819 33.786 25.075
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1140 ATOM 1139 OH TYR 145 8.555 35.120 24.893
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1141 ATOM 1140 C TYR 145 8.618 27.252 26.111
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1142 ATOM 1141 O TYR 145 8.416 26.759 27.236
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1143 ATOM 1142 N GLY 146 9.153 26.601 25.029
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1144 ATOM 1143 CA GLY 146 9.640 25.205 24.880
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1145 ATOM 1144 C GLY 146 9.047 24.049 25.755
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1146 ATOM 1145 O GLY 146 9.320 23.821 26.925
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1147 ATOM 1146 N ASP 147 8.175 23.335 25.052
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1148 ATOM 1147 CA ASP 147 7.540 22.107 25.749
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1149 ATOM 1148 CB ASP 147 8.550 20.992 26.053
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1150 ATOM 1149 CG ASP 147 9.180 20.415 24.797
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1151 ATOM 1150 OD1 ASP 147 10.276 20.873 24.410
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1152 ATOM 1151 OD2 ASP 147 8.576 19.509 24.188
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1153 ATOM 1152 C ASP 147 6.338 22.626 26.417
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1154 ATOM 1153 O ASP 147 5.212 22.294 26.051
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1155 ATOM 1154 N GLU 148 6.551 23.517 27.383
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1156 ATOM 1155 CA GLU 148 5.383 24.125 28.120
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1157 ATOM 1156 CB GLU 148 5.923 25.145 29.117
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1158 ATOM 1157 CG GLU 148 6.690 24.546 30.316
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1159 ATOM 1158 CD GLU 148 5.665 23.974 31.282
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1160 ATOM 1159 OE1 GLU 148 4.848 24.760 31.822
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1161 ATOM 1160 OE2 GLU 148 5.647 22.735 31.448
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1162 ATOM 1161 C GLU 148 4.486 24.870 27.032
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1163 ATOM 1162 O GLU 148 3.255 24.742 26.973
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1164 ATOM 1163 N PHE 149 5.175 25.645 26.196
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1165 ATOM 1164 CA PHE 149 4.454 26.370 25.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1166 ATOM 1165 CB PHE 149 5.444 27.226 24.382
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1167 ATOM 1166 CG PHE 149 4.866 27.843 23.146
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1168 ATOM 1167 CD1 PHE 149 3.934 28.871 23.236
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1169 ATOM 1168 CD2 PHE 149 5.271 27.409 21.885
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1170 ATOM 1169 CE1 PHE 149 3.406 29.465 22.087
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1171 ATOM 1170 CE2 PHE 149 4.753 27.994 20.726
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1172 ATOM 1171 CZ PHE 149 3.816 29.029 20.829
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1173 ATOM 1172 C PHE 149 3.747 25.405 24.200
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1174 ATOM 1173 O PHE 149 2.624 25.578 23.731
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1175 ATOM 1174 N GLU 150 4.499 24.347 23.902
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1176 ATOM 1175 CA GLU 150 3.898 23.372 22.884
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1177 ATOM 1176 CB GLU 150 4.919 22.257 22.680
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1178 ATOM 1177 CG GLU 150 6.196 22.670 21.917
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1179 ATOM 1178 CD GLU 150 5.841 22.771 20.442
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1180 ATOM 1179 OE1 GLU 150 5.467 21.731 19.845
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1181 ATOM 1180 OE2 GLU 150 5.883 23.901 19.907
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1182 ATOM 1181 C GLU 150 2.673 22.705 23.433
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1183 ATOM 1182 O GLU 150 1.689 22.550 22.715
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1184 ATOM 1183 N ALA 151 2.682 22.390 24.722
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1185 ATOM 1184 CA ALA 151 1.581 21.753 25.430
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1186 ATOM 1185 CB ALA 151 2.185 21.172 26.717
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1187 ATOM 1186 C ALA 151 0.346 22.740 25.383
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1188 ATOM 1187 O ALA 151 -0.769 22.395 24.988
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1189 ATOM 1188 N LEU 152 0.610 23.976 25.823
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1190 ATOM 1189 CA LEU 152 -0.496 24.977 25.847
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1191 ATOM 1190 CB LEU 152 -0.032 26.192 26.659
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1192 ATOM 1191 CG LEU 152 0.312 25.945 28.141
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1193 ATOM 1192 CD1 LEU 152 0.941 27.195 28.752
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1194 ATOM 1193 CD2 LEU 152 -0.928 25.550 28.920
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1195 ATOM 1194 C LEU 152 -1.003 25.235 24.466
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1196 ATOM 1195 O LEU 152 -2.219 25.235 24.248
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1197 ATOM 1196 N TYR 153 -0.099 25.513 23.527
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1198 ATOM 1197 CA TYR 153 -0.477 25.843 22.149
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1199 ATOM 1198 CB TYR 153 0.824 25.915 21.311
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1200 ATOM 1199 CG TYR 153 0.512 26.061 19.824
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1201 ATOM 1200 CD1 TYR 153 -0.124 27.195 19.347
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1202 ATOM 1201 CD2 TYR 153 0.817 25.016 18.950
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1203 ATOM 1202 CE1 TYR 153 -0.415 27.320 18.004
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1204 ATOM 1203 CE2 TYR 153 0.530 25.157 17.594
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1205 ATOM 1204 CZ TYR 153 -0.100 26.297 17.153
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1206 ATOM 1205 OH TYR 153 -0.393 26.411 15.810
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1207 ATOM 1206 C TYR 153 -1.286 24.710 21.511
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1208 ATOM 1207 O TYR 153 -2.289 24.981 20.857
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1209 ATOM 1208 N THR 154 -0.908 23.466 21.772
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1210 ATOM 1209 CA THR 154 -1.580 22.248 21.266
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1211 ATOM 1210 CB THR 154 -0.834 20.944 21.600
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1212 ATOM 1211 OG1 THR 154 0.475 20.987 21.023
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1213 ATOM 1212 CG2 THR 154 -1.578 19.771 20.950
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1214 ATOM 1213 C THR 154 -3.001 22.191 21.852
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1215 ATOM 1214 O THR 154 -3.941 22.022 21.069
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1216 ATOM 1215 N ARG 155 -3.178 22.371 23.153
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1217 ATOM 1216 CA ARG 155 -4.450 22.335 23.818
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1218 ATOM 1217 CB ARG 155 -4.294 22.374 25.360
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1219 ATOM 1218 CG ARG 155 -5.588 21.951 26.066
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1220 ATOM 1219 CD ARG 155 -5.327 21.883 27.578
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1221 ATOM 1220 NE ARG 155 -4.463 20.720 27.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1222 ATOM 1221 CZ ARG 155 -3.774 20.586 29.001
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1223 ATOM 1222 NH1 ARG 155 -3.884 21.590 29.885
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1224 ATOM 1223 NH2 ARG 155 -3.018 19.501 29.202
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1225 ATOM 1224 C ARG 155 -5.408 23.383 23.218
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1226 ATOM 1225 O ARG 155 -6.563 23.130 22.909
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1227 ATOM 1226 N TYR 156 -4.884 24.605 23.128
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1228 ATOM 1227 CA TYR 156 -5.751 25.738 22.595
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1229 ATOM 1228 CB TYR 156 -5.097 27.117 22.754
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1230 ATOM 1229 CG TYR 156 -5.347 27.668 24.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1231 ATOM 1230 CD1 TYR 156 -4.888 26.958 25.277
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1232 ATOM 1231 CD2 TYR 156 -6.078 28.840 24.328
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1233 ATOM 1232 CE1 TYR 156 -5.146 27.453 26.559
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1234 ATOM 1233 CE2 TYR 156 -6.330 29.323 25.616
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1235 ATOM 1234 CZ TYR 156 -5.868 28.627 26.694
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1236 ATOM 1235 OH TYR 156 -6.122 29.070 27.983
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1237 ATOM 1236 C TYR 156 -6.140 25.386 21.175
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1238 ATOM 1237 O TYR 156 -7.298 25.630 20.846
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1239 ATOM 1238 N GLU 157 -5.274 24.779 20.374
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1240 ATOM 1239 CA GLU 157 -5.465 24.329 19.074
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1241 ATOM 1240 CB GLU 157 -4.254 23.546 18.490
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1242 ATOM 1241 CG GLU 157 -3.037 24.444 18.334
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1243 ATOM 1242 CD GLU 157 -1.797 23.680 17.901
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1244 ATOM 1243 OE1 GLU 157 -1.742 22.431 18.015
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1245 ATOM 1244 OE2 GLU 157 -0.877 24.376 17.427
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1246 ATOM 1245 C GLU 157 -6.612 23.321 19.006
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1247 ATOM 1246 O GLU 157 -7.563 23.468 18.237
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1248 ATOM 1247 N LYS 158 -6.518 22.291 19.855
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1249 ATOM 1248 CA LYS 158 -7.586 21.226 19.866
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1250 ATOM 1249 CB LYS 158 -6.986 19.928 20.418
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1251 ATOM 1250 CG LYS 158 -5.858 19.361 19.592
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1252 ATOM 1251 CD LYS 158 -5.388 18.035 20.146
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1253 ATOM 1252 CE LYS 158 -4.060 17.603 19.527
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1254 ATOM 1253 NZ LYS 158 -3.584 16.241 19.982
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1255 ATOM 1254 C LYS 158 -8.825 21.711 20.366
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1256 ATOM 1255 O LYS 158 -9.793 21.278 19.731
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1257 ATOM 1256 N GLU 159 -8.946 22.593 21.358
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1258 ATOM 1257 CA GLU 159 -10.100 23.284 21.849
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1259 ATOM 1258 CB GLU 159 -9.783 24.431 22.816
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1260 ATOM 1259 CG GLU 159 -10.397 24.274 24.182
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1261 ATOM 1260 CD GLU 159 -9.617 23.330 25.074
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1262 ATOM 1261 OE1 GLU 159 -8.524 23.717 25.551
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1263 ATOM 1262 OE2 GLU 159 -10.096 22.199 25.298
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1264 ATOM 1263 C GLU 159 -10.893 24.176 20.812
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1265 ATOM 1264 O GLU 159 -11.923 24.745 21.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1266 ATOM 1265 N GLY 160 -10.364 24.314 19.600
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1267 ATOM 1266 CA GLY 160 -10.833 25.114 18.567
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1268 ATOM 1267 C GLY 160 -10.990 26.588 18.916
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1269 ATOM 1268 O GLY 160 -11.982 27.261 18.628
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1270 ATOM 1269 N ARG 161 -9.909 27.104 19.493
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1271 ATOM 1270 CA ARG 161 -9.779 28.511 19.907
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1272 ATOM 1271 CB ARG 161 -9.008 28.597 21.230
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1273 ATOM 1272 CG ARG 161 -9.602 27.717 22.327
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1274 ATOM 1273 CD ARG 161 -8.847 27.824 23.652
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1275 ATOM 1274 NE ARG 161 -9.395 26.941 24.687
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1276 ATOM 1275 CZ ARG 161 -9.640 27.320 25.948
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1277 ATOM 1276 NH1 ARG 161 -9.383 28.571 26.333
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1278 ATOM 1277 NH2 ARG 161 -10.153 26.463 26.830
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1279 ATOM 1278 C ARG 161 -9.429 29.397 18.664
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1280 ATOM 1279 O ARG 161 -9.995 30.523 18.431
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1281 ATOM 1280 N GLY 162 -8.436 28.927 17.923
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1282 ATOM 1281 CA GLY 162 -8.104 29.739 16.742
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1283 ATOM 1282 C GLY 162 -8.338 29.206 15.338
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1284 ATOM 1283 O GLY 162 -8.854 28.108 15.145
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1285 ATOM 1284 N LYS 163 -7.923 29.993 14.353
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1286 ATOM 1285 CA LYS 163 -8.034 29.584 12.963
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1287 ATOM 1286 CB LYS 163 -7.700 30.754 12.035
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1288 ATOM 1287 CG LYS 163 -8.748 31.840 11.928
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1289 ATOM 1288 CD LYS 163 -8.366 32.722 10.771
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1290 ATOM 1289 CE LYS 163 -9.266 33.924 10.615
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1291 ATOM 1290 NZ LYS 163 -8.688 34.769 9.503
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1292 ATOM 1291 C LYS 163 -6.828 28.855 12.433
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1293 ATOM 1292 O LYS 163 -5.689 29.314 12.550
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1294 ATOM 1293 N THR 164 -7.083 27.669 11.895
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1295 ATOM 1294 CA THR 164 -6.061 26.793 11.311
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1296 ATOM 1295 CB THR 164 -6.447 25.304 11.279
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1297 ATOM 1296 OG1 THR 164 -7.600 25.127 10.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1298 ATOM 1297 CG2 THR 164 -6.775 24.816 12.685
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1299 ATOM 1298 C THR 164 -5.643 26.866 9.851
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1300 ATOM 1299 O THR 164 -6.528 26.679 9.011
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1301 ATOM 1300 N ILE 165 -4.383 27.111 9.510
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1302 ATOM 1301 CA ILE 165 -4.141 27.113 8.050
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1303 ATOM 1302 CB ILE 165 -4.124 28.595 7.510
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1304 ATOM 1303 CG1 ILE 165 -3.100 29.469 8.237
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1305 ATOM 1304 CG2 ILE 165 -5.537 29.172 7.661
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1306 ATOM 1305 CD1 ILE 165 -3.069 30.955 7.832
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1307 ATOM 1306 C ILE 165 -2.873 26.338 7.839
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1308 ATOM 1307 O ILE 165 -2.309 25.849 8.816
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1309 ATOM 1308 N LYS 166 -2.454 26.126 6.592
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1310 ATOM 1309 CA LYS 166 -1.246 25.368 6.295
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1311 ATOM 1310 CB LYS 166 -1.147 24.948 4.819
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1312 ATOM 1311 CG LYS 166 0.183 24.293 4.452
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1313 ATOM 1312 CD LYS 166 0.127 23.591 3.098
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1314 ATOM 1313 CE LYS 166 -0.661 22.279 3.184
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1315 ATOM 1314 NZ LYS 166 -0.801 21.598 1.857
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1316 ATOM 1315 C LYS 166 -0.006 26.487 6.602
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1317 ATOM 1316 O LYS 166 0.210 27.632 6.193
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1318 ATOM 1317 N ALA 167 0.766 25.885 7.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1319 ATOM 1318 CA ALA 167 2.014 26.352 8.025
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1320 ATOM 1319 CB ALA 167 2.860 25.400 8.855
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1321 ATOM 1320 C ALA 167 2.909 26.886 6.979
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1322 ATOM 1321 O ALA 167 3.462 27.978 7.098
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1323 ATOM 1322 N GLN 168 3.002 26.145 5.877
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1324 ATOM 1323 CA GLN 168 3.864 26.633 4.708
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1325 ATOM 1324 CB GLN 168 3.930 25.613 3.564
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1326 ATOM 1325 CG GLN 168 4.901 24.476 3.885
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1327 ATOM 1326 CD GLN 168 4.737 23.320 2.905
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1328 ATOM 1327 OE1 GLN 168 3.755 23.254 2.164
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1329 ATOM 1328 NE2 GLN 168 5.691 22.396 2.913
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1330 ATOM 1329 C GLN 168 3.318 27.871 4.081
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1331 ATOM 1330 O GLN 168 4.103 28.701 3.628
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1332 ATOM 1331 N LYS 169 2.002 28.068 4.124
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1333 ATOM 1332 CA LYS 169 1.354 29.273 3.672
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1334 ATOM 1333 CB LYS 169 -0.164 29.249 3.683
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1335 ATOM 1334 CG LYS 169 -0.806 28.270 2.693
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1336 ATOM 1335 CD LYS 169 -2.177 27.864 3.209
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1337 ATOM 1336 CE LYS 169 -3.148 27.489 2.101
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1338 ATOM 1337 NZ LYS 169 -4.544 27.398 2.627
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1339 ATOM 1338 C LYS 169 1.730 30.531 4.417
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1340 ATOM 1339 O LYS 169 1.605 31.595 3.818
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1341 ATOM 1340 N LEU 170 2.207 30.461 5.660
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1342 ATOM 1341 CA LEU 170 2.678 31.558 6.432
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1343 ATOM 1342 CB LEU 170 2.184 31.475 7.876
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1344 ATOM 1343 CG LEU 170 0.680 31.689 8.076
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1345 ATOM 1344 CD1 LEU 170 0.290 31.237 9.454
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1346 ATOM 1345 CD2 LEU 170 0.352 33.152 7.969
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1347 ATOM 1346 C LEU 170 4.126 31.654 6.148
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1348 ATOM 1347 O LEU 170 4.602 32.780 6.075
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1349 ATOM 1348 N TRP 171 4.842 30.544 6.002
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1350 ATOM 1349 CA TRP 171 6.222 30.443 5.637
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1351 ATOM 1350 CB TRP 171 6.733 28.997 5.652
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1352 ATOM 1351 CG TRP 171 8.194 28.892 5.349
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1353 ATOM 1352 CD1 TRP 171 8.765 28.556 4.166
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1354 ATOM 1353 CD2 TRP 171 9.271 29.229 6.237
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1355 ATOM 1354 NE1 TRP 171 10.135 28.663 4.249
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1356 ATOM 1355 CE2 TRP 171 10.472 29.075 5.512
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1357 ATOM 1356 CE3 TRP 171 9.332 29.647 7.569
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1358 ATOM 1357 CZ2 TRP 171 11.737 29.329 6.077
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1359 ATOM 1358 CZ3 TRP 171 10.592 29.900 8.140
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1360 ATOM 1359 CH2 TRP 171 11.772 29.737 7.387
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1361 ATOM 1360 C TRP 171 6.553 31.182 4.291
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1362 ATOM 1361 O TRP 171 7.476 31.970 4.153
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1363 ATOM 1362 N TYR 172 5.761 30.807 3.286
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1364 ATOM 1363 CA TYR 172 5.981 31.420 1.952
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1365 ATOM 1364 CB TYR 172 5.143 30.746 0.858
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1366 ATOM 1365 CG TYR 172 5.826 29.456 0.379
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1367 ATOM 1366 CD1 TYR 172 6.070 28.424 1.288
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1368 ATOM 1367 CD2 TYR 172 6.248 29.350 -0.941
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1369 ATOM 1368 CE1 TYR 172 6.719 27.266 0.849
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1370 ATOM 1369 CE2 TYR 172 6.898 28.186 -1.367
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1371 ATOM 1370 CZ TYR 172 7.121 27.179 -0.473
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1372 ATOM 1371 OH TYR 172 7.782 26.024 -0.861
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1373 ATOM 1372 C TYR 172 5.809 32.978 2.075
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1374 ATOM 1373 O TYR 172 6.603 33.734 1.527
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1375 ATOM 1374 N SER 173 4.788 33.431 2.800
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1376 ATOM 1375 CA SER 173 4.572 34.803 2.968
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1377 ATOM 1376 CB SER 173 3.297 35.030 3.775
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1378 ATOM 1377 OG SER 173 2.179 34.464 3.115
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1379 ATOM 1378 C SER 173 5.786 35.458 3.729
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1380 ATOM 1379 O SER 173 6.248 36.529 3.350
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1381 ATOM 1380 N ILE 174 6.306 34.787 4.754
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1382 ATOM 1381 CA ILE 174 7.454 35.307 5.487
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1383 ATOM 1382 CB ILE 174 7.793 34.394 6.687
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1384 ATOM 1383 CG1 ILE 174 6.653 34.403 7.718
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1385 ATOM 1384 CG2 ILE 174 9.110 34.862 7.273
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1386 ATOM 1385 CD1 ILE 174 6.800 33.473 8.897
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1387 ATOM 1386 C ILE 174 8.664 35.412 4.467
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1388 ATOM 1387 O ILE 174 9.381 36.407 4.449
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1389 ATOM 1388 N LEU 175 8.871 34.378 3.654
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1390 ATOM 1389 CA LEU 175 9.940 34.412 2.725
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1391 ATOM 1390 CB LEU 175 10.113 33.027 2.114
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1392 ATOM 1391 CG LEU 175 10.675 31.913 3.003
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1393 ATOM 1392 CD1 LEU 175 10.647 30.582 2.269
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1394 ATOM 1393 CD2 LEU 175 12.090 32.297 3.411
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1395 ATOM 1394 C LEU 175 9.789 35.489 1.708
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1396 ATOM 1395 O LEU 175 10.795 36.085 1.344
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1397 ATOM 1396 N GLU 176 8.576 35.735 1.227
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1398 ATOM 1397 CA GLU 176 8.234 36.795 0.286
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1399 ATOM 1398 CB GLU 176 6.783 36.721 -0.182
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1400 ATOM 1399 CG GLU 176 6.489 35.519 -1.065
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1401 ATOM 1400 CD GLU 176 5.003 35.262 -1.261
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1402 ATOM 1401 OE1 GLU 176 4.186 35.799 -0.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1403 ATOM 1402 OE2 GLU 176 4.648 34.500 -2.187
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1404 ATOM 1403 C GLU 176 8.645 38.168 0.813
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1405 ATOM 1404 O GLU 176 9.326 38.934 0.122
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1406 ATOM 1405 N ALA 177 8.178 38.502 2.016
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1407 ATOM 1406 CA ALA 177 8.465 39.814 2.611
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1408 ATOM 1407 CB ALA 177 7.662 39.972 3.896
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1409 ATOM 1408 C ALA 177 9.921 40.057 2.756
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1410 ATOM 1409 O ALA 177 10.349 41.179 2.511
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1411 ATOM 1410 N GLN 178 10.689 39.052 3.162
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1412 ATOM 1411 CA GLN 178 12.166 39.108 3.325
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1413 ATOM 1412 CB GLN 178 12.723 37.798 3.869
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1414 ATOM 1413 CG GLN 178 12.170 37.400 5.230
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1415 ATOM 1414 CD GLN 178 12.755 36.094 5.717
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1416 ATOM 1415 OE1 GLN 178 12.660 35.065 5.046
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1417 ATOM 1416 NE2 GLN 178 13.364 36.125 6.890
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1418 ATOM 1417 C GLN 178 12.851 39.455 1.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1419 ATOM 1418 O GLN 178 13.731 40.297 1.857
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1420 ATOM 1419 N THR 179 12.447 38.708 0.923
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1421 ATOM 1420 CA THR 179 13.006 38.936 -0.410
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1422 ATOM 1421 CB THR 179 12.355 37.991 -1.440
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1423 ATOM 1422 OG1 THR 179 12.724 36.648 -1.067
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1424 ATOM 1423 CG2 THR 179 12.876 38.251 -2.839
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1425 ATOM 1424 C THR 179 12.786 40.489 -0.760
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1426 ATOM 1425 O THR 179 13.688 41.204 -1.193
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1427 ATOM 1426 N GLU 180 11.538 40.927 -0.581
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1428 ATOM 1427 CA GLU 180 11.279 42.279 -0.959
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1429 ATOM 1428 CB GLU 180 9.768 42.504 -1.127
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1430 ATOM 1429 CG GLU 180 9.221 41.873 -2.399
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1431 ATOM 1430 CD GLU 180 7.776 42.249 -2.625
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1432 ATOM 1431 OE1 GLU 180 7.141 42.837 -1.706
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1433 ATOM 1432 OE2 GLU 180 7.258 41.960 -3.721
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1434 ATOM 1433 C GLU 180 11.875 43.410 -0.120
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1435 ATOM 1434 O GLU 180 12.642 44.271 -0.535
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1436 ATOM 1435 N THR 181 11.562 43.271 1.164
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1437 ATOM 1436 CA THR 181 12.009 44.363 2.152
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1438 ATOM 1437 CB THR 181 10.977 44.413 3.269
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1439 ATOM 1438 OG1 THR 181 10.864 43.125 3.884
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1440 ATOM 1439 CG2 THR 181 9.608 44.817 2.719
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1441 ATOM 1440 C THR 181 12.879 43.207 2.704
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1442 ATOM 1441 O THR 181 12.589 42.017 2.562
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1443 ATOM 1442 N GLY 182 13.961 43.602 3.360
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1444 ATOM 1443 CA GLY 182 14.875 42.664 4.010
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1445 ATOM 1444 C GLY 182 14.297 42.180 5.385
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1446 ATOM 1445 O GLY 182 14.665 41.172 6.003
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1447 ATOM 1446 N THR 183 13.460 43.073 5.906
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1448 ATOM 1447 CA THR 183 12.367 42.104 6.853
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1449 ATOM 1448 CB THR 183 11.301 43.163 6.524
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1450 ATOM 1449 OG1 THR 183 11.934 44.282 5.895
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1451 ATOM 1450 CG2 THR 183 10.597 43.630 7.782
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1452 ATOM 1451 C THR 183 11.510 41.270 6.504
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1453 ATOM 1452 O THR 183 11.277 41.134 5.311
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1454 ATOM 1453 N PRO 184 10.952 40.464 7.422
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1455 ATOM 1454 CA PRO 184 11.033 40.662 9.047
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1456 ATOM 1455 CB PRO 184 9.782 40.087 9.708
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1457 ATOM 1456 CG PRO 184 9.540 38.859 8.831
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1458 ATOM 1457 CD PRO 184 9.622 39.511 7.460
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1459 ATOM 1458 C PRO 184 11.638 39.946 10.368
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1460 ATOM 1459 O PRO 184 11.294 39.018 11.072
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1461 ATOM 1460 N PHE 185 12.861 40.412 10.402
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1462 ATOM 1461 CA PHE 185 13.964 39.725 11.238
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1463 ATOM 1462 CB PHE 185 14.783 40.772 11.988
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1464 ATOM 1463 CG PHE 185 14.858 42.067 11.282
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1465 ATOM 1464 CD1 PHE 185 15.739 42.239 10.226
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1466 ATOM 1465 CD2 PHE 185 14.013 43.110 11.639
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1467 ATOM 1466 CE1 PHE 185 15.775 43.430 9.531
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1468 ATOM 1467 CE2 PHE 185 14.038 44.309 10.951
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1469 ATOM 1468 CZ PHE 185 14.923 44.470 9.891
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1470 ATOM 1469 C PHE 185 13.711 38.563 12.220
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1471 ATOM 1470 O PHE 185 13.085 38.724 13.269
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1472 ATOM 1471 N VAL 186 14.191 37.365 11.848
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1473 ATOM 1472 CA VAL 186 13.985 36.297 12.823
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1474 ATOM 1473 CB VAL 186 14.126 35.124 11.832
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1475 ATOM 1474 CG1 VAL 186 13.491 33.876 12.409
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1476 ATOM 1475 CG2 VAL 186 13.485 35.473 10.514
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1477 ATOM 1476 C VAL 186 14.732 36.046 14.031
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1478 ATOM 1477 O VAL 186 15.955 35.964 13.930
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1479 ATOM 1478 N VAL 187 14.082 35.907 15.178
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1480 ATOM 1479 CA VAL 187 14.852 35.579 16.411
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1481 ATOM 1480 CB VAL 187 14.845 36.819 17.355
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1482 ATOM 1481 CG1 VAL 187 15.454 36.459 18.696
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1483 ATOM 1482 CG2 VAL 187 15.615 37.953 16.723
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1484 ATOM 1483 C VAL 187 14.033 34.551 16.958
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1485 ATOM 1484 O VAL 187 12.824 34.667 16.991
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1486 ATOM 1485 N TYR 188 14.665 33.451 17.340
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1487 ATOM 1486 CA TYR 188 14.121 32.196 17.939
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1488 ATOM 1487 CB TYR 188 15.057 30.990 17.779
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1489 ATOM 1488 CG TYR 188 14.588 29.728 18.459
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1490 ATOM 1489 CD1 TYR 188 13.637 28.899 17.861
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1491 ATOM 1490 CD2 TYR 188 15.093 29.365 19.710
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1492 ATOM 1491 CE1 TYR 188 13.198 27.739 18.498
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1493 ATOM 1492 CE2 TYR 188 14.660 28.211 20.357
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1494 ATOM 1493 CZ TYR 188 13.713 27.405 19.749
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1495 ATOM 1494 OH TYR 188 13.268 26.281 20.403
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1496 ATOM 1495 C TYR 188 13.723 32.448 19.404
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1497 ATOM 1496 O TYR 188 14.641 32.638 20.185
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1498 ATOM 1497 N LYS 189 12.462 32.336 19.804
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1499 ATOM 1498 CA LYS 189 12.207 32.578 21.210
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1500 ATOM 1499 CB LYS 189 10.680 32.679 21.267
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1501 ATOM 1500 CG LYS 189 10.094 33.802 20.416
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1502 ATOM 1501 CD LYS 189 8.571 33.828 20.436
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1503 ATOM 1502 CE LYS 189 8.017 34.124 21.821
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1504 ATOM 1503 NZ LYS 189 6.532 34.194 21.801
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1505 ATOM 1504 C LYS 189 12.671 31.489 22.191
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1506 ATOM 1505 O LYS 189 12.992 31.711 23.355
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1507 ATOM 1506 N ASP 190 12.683 30.265 21.664
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1508 ATOM 1507 CA ASP 190 13.041 29.157 22.609
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1509 ATOM 1508 CB ASP 190 12.577 27.820 22.019
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1510 ATOM 1509 CG ASP 190 11.061 27.620 22.112
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1511 ATOM 1510 OD1 ASP 190 10.360 28.442 22.751
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1512 ATOM 1511 OD2 ASP 190 10.571 26.619 21.546
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1513 ATOM 1512 C ASP 190 14.590 29.226 22.946
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1514 ATOM 1513 O ASP 190 15.076 29.079 24.057
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1515 ATOM 1514 N ALA 191 15.328 29.400 21.849
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1516 ATOM 1515 CA ALA 191 16.833 29.437 22.020
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1517 ATOM 1516 CB ALA 191 17.483 29.647 20.638
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1518 ATOM 1517 C ALA 191 17.183 30.677 22.963
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1519 ATOM 1518 O ALA 191 18.013 30.564 23.859
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1520 ATOM 1519 N CYS 192 16.544 31.823 22.733
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1521 ATOM 1520 CA CYS 192 16.777 32.950 23.576
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1522 ATOM 1521 CB CYS 192 15.921 34.160 23.190
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1523 ATOM 1522 SG CYS 192 15.770 34.504 21.414
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1524 ATOM 1523 C CYS 192 16.497 32.595 25.076
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1525 ATOM 1524 O CYS 192 17.218 32.907 26.016
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1526 ATOM 1525 N ASN 193 15.290 32.062 25.223
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1527 ATOM 1526 CA ASN 193 14.876 31.768 26.586
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1528 ATOM 1527 CB ASN 193 13.378 31.373 26.480
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1529 ATOM 1528 CG ASN 193 12.541 32.614 26.227
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1530 ATOM 1529 OD1 ASN 193 13.076 33.734 26.387
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1531 ATOM 1530 ND2 ASN 193 11.284 32.508 25.819
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1532 ATOM 1531 C ASN 193 15.587 30.616 27.307
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1533 ATOM 1532 O ASN 193 15.849 30.553 28.504
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1534 ATOM 1533 N ARG 194 15.910 29.647 26.450
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1535 ATOM 1534 CA ARG 194 16.560 28.403 27.140
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1536 ATOM 1535 CB ARG 194 16.474 27.202 26.203
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1537 ATOM 1536 CG ARG 194 17.025 25.917 26.789
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1538 ATOM 1537 CD ARG 194 16.805 24.737 25.851
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1539 ATOM 1538 NE ARG 194 15.388 24.433 25.671
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1540 ATOM 1539 CZ ARG 194 14.719 24.585 24.529
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1541 ATOM 1540 NH1 ARG 194 15.333 25.040 23.439
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1542 ATOM 1541 NH2 ARG 194 13.426 24.292 24.482
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1543 ATOM 1542 C ARG 194 18.092 28.594 27.336
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1544 ATOM 1543 O ARG 194 18.712 27.829 28.090
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1545 ATOM 1544 N LYS 195 18.701 29.578 26.669
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1546 ATOM 1545 CA LYS 195 20.093 29.813 26.800
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1547 ATOM 1546 CB LYS 195 20.774 29.928 25.392
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1548 ATOM 1547 CG LYS 195 20.948 28.467 24.846
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1549 ATOM 1548 CD LYS 195 20.697 28.458 23.363
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1550 ATOM 1549 CE LYS 195 21.234 27.283 22.575
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1551 ATOM 1550 NZ LYS 195 22.321 26.541 23.275
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1552 ATOM 1551 C LYS 195 20.428 31.067 27.660
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1553 ATOM 1552 O LYS 195 21.613 31.274 27.908
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1554 ATOM 1553 N SER 196 19.464 31.876 28.083
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1555 ATOM 1554 CA SER 196 19.758 33.077 28.799
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1556 ATOM 1555 CB SER 196 18.439 33.847 28.912
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1557 ATOM 1556 OG SER 196 17.555 33.209 29.825
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1558 ATOM 1557 C SER 196 20.233 33.082 30.095
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1559 ATOM 1558 O SER 196 19.707 32.150 30.700
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1560 ATOM 1559 N ASN 197 21.015 33.985 30.683
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1561 ATOM 1560 CA ASN 197 21.312 33.966 32.130
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1562 ATOM 1561 CB ASN 197 22.567 34.828 32.406
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1563 ATOM 1562 CG ASN 197 23.894 34.123 32.207
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1564 ATOM 1563 OD1 ASN 197 23.938 32.948 31.865
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1565 ATOM 1564 ND2 ASN 197 25.019 34.827 32.374
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1566 ATOM 1565 C ASN 197 20.242 34.696 32.857
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1567 ATOM 1566 O ASN 197 20.166 34.420 34.052
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1568 ATOM 1567 N GLN 198 19.349 35.449 32.230
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1569 ATOM 1568 CA GLN 198 18.220 36.153 32.709
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1570 ATOM 1569 CB GLN 198 17.644 37.172 31.688
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1571 ATOM 1570 CG GLN 198 18.757 38.218 31.331
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1572 ATOM 1571 CD GLN 198 18.106 39.329 30.534
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1573 ATOM 1572 OE1 GLN 198 17.882 39.206 29.341
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1574 ATOM 1573 NE2 GLN 198 17.672 40.408 31.231
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1575 ATOM 1574 C GLN 198 16.970 35.346 32.835
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1576 ATOM 1575 O GLN 198 15.968 35.891 33.319
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1577 ATOM 1576 N LYS 199 16.986 34.033 32.564
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1578 ATOM 1577 CA LYS 199 15.911 33.091 32.744
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1579 ATOM 1578 CB LYS 199 16.245 31.729 32.106
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1580 ATOM 1579 CG LYS 199 14.950 31.099 31.590
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1581 ATOM 1580 CD LYS 199 14.997 29.722 30.974
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1582 ATOM 1581 CE LYS 199 13.523 29.335 30.800
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1583 ATOM 1582 NZ LYS 199 13.368 28.177 29.943
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1584 ATOM 1583 C LYS 199 15.157 33.138 34.038
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1585 ATOM 1584 O LYS 199 13.942 32.941 34.063
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1586 ATOM 1585 N ASN 200 15.868 33.400 35.134
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1587 ATOM 1586 CA ASN 200 15.228 33.387 36.482
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1588 ATOM 1587 CB ASN 200 16.308 33.764 37.477
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1589 ATOM 1588 CG ASN 200 17.124 32.538 37.894
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1590 ATOM 1589 OD1 ASN 200 18.129 32.691 38.601
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1591 ATOM 1590 ND2 ASN 200 16.683 31.348 37.517
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1592 ATOM 1591 C ASN 200 14.222 34.607 36.605
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1593 ATOM 1592 O ASN 200 13.374 34.657 37.497
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1594 ATOM 1593 N LEU 201 14.348 35.562 35.694
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1595 ATOM 1594 CA LEU 201 13.475 36.720 35.733
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1596 ATOM 1595 CB LEU 201 14.043 37.877 34.879
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1597 ATOM 1596 CG LEU 201 15.380 38.391 35.430
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1598 ATOM 1597 CD1 LEU 201 15.971 39.448 34.488
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1599 ATOM 1598 CD2 LEU 201 15.267 38.953 36.839
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1600 ATOM 1599 C LEU 201 12.388 36.536 34.540
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1601 ATOM 1600 O LEU 201 11.871 37.531 33.953
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1602 ATOM 1601 N GLY 202 12.031 35.286 34.312
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1603 ATOM 1602 CA GLY 202 10.621 35.377 33.641
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1604 ATOM 1603 C GLY 202 10.893 35.622 32.194
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1605 ATOM 1604 O GLY 202 11.868 36.222 31.709
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1606 ATOM 1605 N VAL 203 10.150 34.814 31.452
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1607 ATOM 1606 CA VAL 203 10.036 34.749 29.971
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1608 ATOM 1607 CB VAL 203 8.810 33.977 29.447
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1609 ATOM 1608 CG1 VAL 203 8.945 33.690 27.954
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1610 ATOM 1609 CG2 VAL 203 8.673 32.664 30.212
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1611 ATOM 1610 C VAL 203 10.325 35.995 29.259
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1612 ATOM 1611 O VAL 203 9.692 37.008 29.479
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1613 ATOM 1612 N ILE 204 11.327 35.940 28.393
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1614 ATOM 1613 CA ILE 204 11.853 37.018 27.504
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1615 ATOM 1614 CB ILE 204 13.218 36.755 26.860
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1616 ATOM 1615 CG1 ILE 204 14.276 36.264 27.842
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1617 ATOM 1616 CG2 ILE 204 13.814 38.006 26.202
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1618 ATOM 1617 CD1 ILE 204 14.239 37.000 29.179
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1619 ATOM 1618 C ILE 204 10.951 36.988 26.286
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1620 ATOM 1619 O ILE 204 10.727 35.977 25.634
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1621 ATOM 1620 N LYS 205 10.382 38.158 26.030
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1622 ATOM 1621 CA LYS 205 9.390 38.402 25.004
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1623 ATOM 1622 CB LYS 205 8.166 39.162 25.536
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1624 ATOM 1623 CG LYS 205 7.740 38.794 26.949
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1625 ATOM 1624 CD LYS 205 6.325 38.241 27.005
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1626 ATOM 1625 CE LYS 205 6.245 36.831 26.432
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1627 ATOM 1626 NZ LYS 205 4.888 36.217 26.607
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1628 ATOM 1627 C LYS 205 9.963 38.896 23.590
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1629 ATOM 1628 O LYS 205 9.556 38.557 22.485
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1630 ATOM 1629 N SER 206 10.856 39.865 23.755
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1631 ATOM 1630 CA SER 206 11.494 40.301 22.472
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1632 ATOM 1631 CB SER 206 10.921 41.716 22.486
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1633 ATOM 1632 OG SER 206 11.625 42.546 23.425
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1634 ATOM 1633 C SER 206 12.824 40.903 22.709
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1635 ATOM 1634 O SER 206 13.382 41.008 23.805
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1636 ATOM 1635 N SER 207 13.472 40.931 21.535
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1637 ATOM 1636 CA SER 207 14.873 41.246 21.190
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1638 ATOM 1637 CB SER 207 15.714 40.252 20.377
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1639 ATOM 1638 OG SER 207 16.042 39.102 21.143
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1640 ATOM 1639 C SER 207 15.171 42.737 21.332
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1641 ATOM 1640 O SER 207 15.220 43.313 22.430
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1642 ATOM 1641 N ASN 208 15.494 43.399 20.225
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1643 ATOM 1642 CA ASN 208 15.753 44.844 20.229
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1644 ATOM 1643 CB ASN 208 17.105 45.139 20.878
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1645 ATOM 1644 CG ASN 208 18.267 44.570 20.081
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1646 ATOM 1645 OD1 ASN 208 18.448 43.353 19.986
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1647 ATOM 1646 ND2 ASN 208 19.033 45.449 19.465
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1648 ATOM 1647 C ASN 208 16.370 45.128 18.807
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1649 ATOM 1648 O ASN 208 16.890 44.335 18.017
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1650 ATOM 1649 N LEU 209 15.957 46.359 18.467
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1651 ATOM 1650 CA LEU 209 16.097 47.102 17.196
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1652 ATOM 1651 CB LEU 209 14.836 47.561 16.450
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1653 ATOM 1652 CG LEU 209 15.114 48.502 15.268
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
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1654 ATOM 1653 CD1 LEU 209 15.838 47.739 14.175
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
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1655 ATOM 1654 CD2 LEU 209 13.816 49.098 14.740
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1656 ATOM 1655 C LEU 209 17.574 47.634 17.117
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
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1657 ATOM 1656 O LEU 209 18.518 46.868 16.871
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1658 ATOM 1657 OXT LEU 209 17.776 48.948 17.129
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
chemteam
parents:
diff changeset
1659 TER
212ccef97a3a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c6707a93f43fa435d290faaec728d730d8289a5
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1660 END