annotate test-data/1L83.pdb @ 3:4cc9d85c3bae draft default tip

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
author bgruening
date Fri, 10 Sep 2021 08:20:08 +0000
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4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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1 HEADER HYDROLASE(O-GLYCOSYL) 21-JAN-92 1L83
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
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2 TITLE A CAVITY-CONTAINING MUTANT OF T4 LYSOZYME IS STABILIZED BY BURIED
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
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3 TITLE 2 BENZENE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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4 COMPND MOL_ID: 1;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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5 COMPND 2 MOLECULE: T4 LYSOZYME;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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6 COMPND 3 CHAIN: A;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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7 COMPND 4 EC: 3.2.1.17;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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8 COMPND 5 ENGINEERED: YES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
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9 SOURCE MOL_ID: 1;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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10 SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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11 SOURCE 3 ORGANISM_TAXID: 10665;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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12 SOURCE 4 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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13 SOURCE 5 EXPRESSION_SYSTEM_PLASMID: M13
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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14 KEYWDS HYDROLASE(O-GLYCOSYL)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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15 EXPDTA X-RAY DIFFRACTION
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
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16 AUTHOR A.E.ERIKSSON,B.W.MATTHEWS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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17 REVDAT 3 29-NOV-17 1L83 1 HELIX
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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18 REVDAT 2 24-FEB-09 1L83 1 VERSN
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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19 REVDAT 1 31-OCT-93 1L83 0
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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20 JRNL AUTH A.E.ERIKSSON,W.A.BAASE,J.A.WOZNIAK,B.W.MATTHEWS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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21 JRNL TITL A CAVITY-CONTAINING MUTANT OF T4 LYSOZYME IS STABILIZED BY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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22 JRNL TITL 2 BURIED BENZENE.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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23 JRNL REF NATURE V. 355 371 1992
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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24 JRNL REFN ISSN 0028-0836
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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25 JRNL PMID 1731252
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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26 JRNL DOI 10.1038/355371A0
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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27 REMARK 2
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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28 REMARK 2 RESOLUTION. 1.70 ANGSTROMS.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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29 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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30 REMARK 3 REFINEMENT.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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31 REMARK 3 PROGRAM : TNT
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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32 REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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33 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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34 REMARK 3 DATA USED IN REFINEMENT.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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35 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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36 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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37 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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38 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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39 REMARK 3 NUMBER OF REFLECTIONS : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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40 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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41 REMARK 3 USING DATA ABOVE SIGMA CUTOFF.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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42 REMARK 3 CROSS-VALIDATION METHOD : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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43 REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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44 REMARK 3 R VALUE (WORKING + TEST SET) : 0.152
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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45 REMARK 3 R VALUE (WORKING SET) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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46 REMARK 3 FREE R VALUE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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47 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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48 REMARK 3 FREE R VALUE TEST SET COUNT : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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49 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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50 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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51 REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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52 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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53 REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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54 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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55 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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56 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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57 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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58 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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59 REMARK 3 PROTEIN ATOMS : 1289
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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60 REMARK 3 NUCLEIC ACID ATOMS : 0
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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61 REMARK 3 HETEROGEN ATOMS : 16
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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62 REMARK 3 SOLVENT ATOMS : 142
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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63 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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64 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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65 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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66 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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67 REMARK 3 BOND LENGTHS (A) : 0.014 ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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68 REMARK 3 BOND ANGLES (DEGREES) : 1.900 ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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69 REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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70 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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71 REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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72 REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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73 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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74 REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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75 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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76 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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77 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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78 REMARK 3 BULK SOLVENT MODELING.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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79 REMARK 3 METHOD USED : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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80 REMARK 3 KSOL : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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81 REMARK 3 BSOL : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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82 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
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diff changeset
83 REMARK 3 RESTRAINT LIBRARIES.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
84 REMARK 3 STEREOCHEMISTRY : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
85 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
86 REMARK 3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
87 REMARK 3 OTHER REFINEMENT REMARKS:
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
88 REMARK 3 RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
89 REMARK 3 ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
90 REMARK 3 RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
91 REMARK 3 RESIDUES 163 AND 164.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
92 REMARK 4
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
93 REMARK 4 1L83 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
94 REMARK 100
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
95 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
96 REMARK 100 THE DEPOSITION ID IS D_1000174609.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
97 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
98 REMARK 200 EXPERIMENTAL DETAILS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
99 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
100 REMARK 200 DATE OF DATA COLLECTION : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
101 REMARK 200 TEMPERATURE (KELVIN) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
102 REMARK 200 PH : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
103 REMARK 200 NUMBER OF CRYSTALS USED : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
104 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
105 REMARK 200 SYNCHROTRON (Y/N) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
106 REMARK 200 RADIATION SOURCE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
107 REMARK 200 BEAMLINE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
108 REMARK 200 X-RAY GENERATOR MODEL : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
109 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
110 REMARK 200 WAVELENGTH OR RANGE (A) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
111 REMARK 200 MONOCHROMATOR : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
112 REMARK 200 OPTICS : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
113 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
114 REMARK 200 DETECTOR TYPE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
115 REMARK 200 DETECTOR MANUFACTURER : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
116 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
117 REMARK 200 DATA SCALING SOFTWARE : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
118 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
119 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
120 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
121 REMARK 200 RESOLUTION RANGE LOW (A) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
122 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
123 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
124 REMARK 200 OVERALL.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
125 REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
126 REMARK 200 DATA REDUNDANCY : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
127 REMARK 200 R MERGE (I) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
128 REMARK 200 R SYM (I) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
129 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
130 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
131 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
132 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
133 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
134 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
135 REMARK 200 DATA REDUNDANCY IN SHELL : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
136 REMARK 200 R MERGE FOR SHELL (I) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
137 REMARK 200 R SYM FOR SHELL (I) : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
138 REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
139 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
140 REMARK 200 DIFFRACTION PROTOCOL: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
141 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
142 REMARK 200 SOFTWARE USED: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
143 REMARK 200 STARTING MODEL: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
144 REMARK 200
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
145 REMARK 200 REMARK: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
146 REMARK 280
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
147 REMARK 280 CRYSTAL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
148 REMARK 280 SOLVENT CONTENT, VS (%): 55.92
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
149 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
150 REMARK 280
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
151 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
152 REMARK 290
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
153 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
154 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
155 REMARK 290
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
156 REMARK 290 SYMOP SYMMETRY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
157 REMARK 290 NNNMMM OPERATOR
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
158 REMARK 290 1555 X,Y,Z
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
159 REMARK 290 2555 -Y,X-Y,Z+2/3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
160 REMARK 290 3555 -X+Y,-X,Z+1/3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
161 REMARK 290 4555 Y,X,-Z
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
162 REMARK 290 5555 X-Y,-Y,-Z+1/3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
163 REMARK 290 6555 -X,-X+Y,-Z+2/3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
164 REMARK 290
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
165 REMARK 290 WHERE NNN -> OPERATOR NUMBER
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
166 REMARK 290 MMM -> TRANSLATION VECTOR
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
167 REMARK 290
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
168 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
169 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
170 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
171 REMARK 290 RELATED MOLECULES.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
172 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
173 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
174 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
175 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
176 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
177 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 64.60000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
178 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
179 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
180 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.30000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
181 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
182 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
183 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
184 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
185 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
186 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.30000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
187 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
188 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
189 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 64.60000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
190 REMARK 290
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
191 REMARK 290 REMARK: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
192 REMARK 300
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
193 REMARK 300 BIOMOLECULE: 1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
194 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
195 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
196 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
197 REMARK 300 BURIED SURFACE AREA.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
198 REMARK 350
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
199 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
200 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
201 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
202 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
203 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
204 REMARK 350
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
205 REMARK 350 BIOMOLECULE: 1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
206 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
207 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
208 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
209 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
210 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
211 REMARK 465
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
212 REMARK 465 MISSING RESIDUES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
213 REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
214 REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
215 REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
216 REMARK 465
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
217 REMARK 465 M RES C SSSEQI
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
218 REMARK 465 ASN A 163
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
219 REMARK 465 LEU A 164
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
220 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
221 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
222 REMARK 500 SUBTOPIC: CLOSE CONTACTS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
223 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
224 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
225 REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
226 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
227 REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
228 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
229 REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
230 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
231 REMARK 500 DISTANCE CUTOFF:
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
232 REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
233 REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
234 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
235 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
236 REMARK 500 O1 BME A 901 O1 BME A 901 5555 2.06
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
237 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
238 REMARK 500 REMARK: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
239 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
240 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
241 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
242 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
243 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
244 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
245 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
246 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
247 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
248 REMARK 500 STANDARD TABLE:
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
249 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
250 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
251 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
252 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
253 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
254 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
255 REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
256 REMARK 500 ASP A 10 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
257 REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
258 REMARK 500 ASP A 20 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
259 REMARK 500 ASP A 47 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
260 REMARK 500 ASP A 47 CB - CG - OD2 ANGL. DEV. = -8.2 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
261 REMARK 500 ASP A 70 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
262 REMARK 500 ASP A 70 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
263 REMARK 500 ASP A 72 CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
264 REMARK 500 ASP A 72 CB - CG - OD2 ANGL. DEV. = 5.4 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
265 REMARK 500 ASP A 92 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
266 REMARK 500 ASP A 92 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
267 REMARK 500 ARG A 137 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
268 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
269 REMARK 500 REMARK: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
270 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
271 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
272 REMARK 500 SUBTOPIC: TORSION ANGLES
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
273 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
274 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
275 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
276 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
277 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
278 REMARK 500 STANDARD TABLE:
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
279 REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
280 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
281 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
282 REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
283 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
284 REMARK 500 M RES CSSEQI PSI PHI
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
285 REMARK 500 ILE A 29 69.37 -100.38
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
286 REMARK 500 PHE A 114 43.04 -84.23
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
287 REMARK 500
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
288 REMARK 500 REMARK: NULL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
289 REMARK 700
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
290 REMARK 700 SHEET
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
291 REMARK 700 THERE ARE SEVERAL SUBTLE ASPECTS OF THE SECONDARY STRUCTURE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
292 REMARK 700 OF THIS MOLECULE WHICH CANNOT CONVENIENTLY BE REPRESENTED
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
293 REMARK 700 IN HELIX AND SHEET RECORDS BELOW. THESE ASPECTS INFLUENCE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
294 REMARK 700 THE REPRESENTATION OF HELIX 6 AND STRAND 3 OF SHEET *S1*.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
295 REMARK 700 THE PAPER J.MOL.BIOL., V. 118, P. 81, 1978 SHOULD BE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
296 REMARK 700 CONSULTED FOR THESE SUBTLETIES.
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
297 REMARK 800
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
298 REMARK 800 SITE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
299 REMARK 800 SITE_IDENTIFIER: AC1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
300 REMARK 800 EVIDENCE_CODE: SOFTWARE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
301 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 173
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
302 REMARK 800
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
303 REMARK 800 SITE_IDENTIFIER: AC2
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
304 REMARK 800 EVIDENCE_CODE: SOFTWARE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
305 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 178
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
306 REMARK 800
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
307 REMARK 800 SITE_IDENTIFIER: AC3
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
308 REMARK 800 EVIDENCE_CODE: SOFTWARE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
309 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 901
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
310 REMARK 800
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
311 REMARK 800 SITE_IDENTIFIER: AC4
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
312 REMARK 800 EVIDENCE_CODE: SOFTWARE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
313 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 902
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
314 REMARK 800
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
315 REMARK 800 SITE_IDENTIFIER: AC5
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
316 REMARK 800 EVIDENCE_CODE: SOFTWARE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
317 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BNZ A 400
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
318 DBREF 1L83 A 1 164 UNP P00720 LYCV_BPT4 1 164
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
319 SEQADV 1L83 THR A 54 UNP P00720 CYS 54 CONFLICT
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
320 SEQADV 1L83 ALA A 97 UNP P00720 CYS 97 CONFLICT
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
321 SEQADV 1L83 ALA A 99 UNP P00720 LEU 99 CONFLICT
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
322 SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
323 SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
324 SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
325 SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
326 SEQRES 5 A 164 ASN THR ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
327 SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
328 SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
329 SEQRES 8 A 164 ASP ALA VAL ARG ARG ALA ALA ALA ILE ASN MET VAL PHE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
330 SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
331 SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
332 SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
333 SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
334 SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
335 HET CL A 173 1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
336 HET CL A 178 1
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
337 HET BME A 901 4
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
338 HET BME A 902 4
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
339 HET BNZ A 400 6
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
340 HETNAM CL CHLORIDE ION
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
341 HETNAM BME BETA-MERCAPTOETHANOL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
342 HETNAM BNZ BENZENE
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
343 FORMUL 2 CL 2(CL 1-)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
344 FORMUL 4 BME 2(C2 H6 O S)
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
345 FORMUL 6 BNZ C6 H6
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
346 HELIX 1 H1 ILE A 3 GLU A 11 1 9
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
347 HELIX 2 H2 LEU A 39 ILE A 50 1 12
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
348 HELIX 3 H3 LYS A 60 ARG A 80 1 21
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
349 HELIX 4 H4 ALA A 82 SER A 90 1 9
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
350 HELIX 5 H5 ALA A 93 MET A 106 1 14
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
351 HELIX 6 H6 GLU A 108 GLY A 113 1 6
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
352 HELIX 7 H7 THR A 115 GLN A 123 1 9
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
353 HELIX 8 H8 TRP A 126 ALA A 134 1 9
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
354 HELIX 9 H9 ARG A 137 GLN A 141 1 5
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
355 HELIX 10 H10 PRO A 143 THR A 155 1 13
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
356 SHEET 1 S1 4 GLY A 56 ILE A 58 0
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
357 SHEET 2 S1 4 ARG A 14 ASP A 20 -1 O LEU A 15 N ILE A 58
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
358 SHEET 3 S1 4 TYR A 24 ILE A 27 -1 O TYR A 24 N ASP A 20
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
359 SHEET 4 S1 4 HIS A 31 LEU A 33 -1 N HIS A 31 O ILE A 27
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
360 LINK S2 BME A 901 S2 BME A 902 1555 1555 2.06
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
361 SITE 1 AC1 6 LYS A 124 THR A 142 ASN A 144 ARG A 145
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
362 SITE 1 AC3 2 ASP A 72 BME A 902
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
363 SITE 1 AC5 5 LEU A 84 VAL A 87 ALA A 99 VAL A 111
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
364 SITE 2 AC5 5 LEU A 118
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
365 CRYST1 60.900 60.900 96.900 90.00 90.00 120.00 P 32 2 1 6
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
366 ORIGX1 1.000000 0.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
367 ORIGX2 0.000000 1.000000 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
368 ORIGX3 0.000000 0.000000 1.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
369 SCALE1 0.016420 0.009480 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
370 SCALE2 0.000000 0.018961 0.000000 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
371 SCALE3 0.000000 0.000000 0.010320 0.00000
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
372 ATOM 1 N MET A 1 44.033 -3.278 9.175 1.00 26.05 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
373 ATOM 2 CA MET A 1 43.538 -1.920 9.169 1.00 22.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
374 ATOM 3 C MET A 1 42.107 -1.960 9.644 1.00 23.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
375 ATOM 4 O MET A 1 41.428 -2.961 9.437 1.00 24.03 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
376 ATOM 5 CB MET A 1 43.681 -1.347 7.748 1.00 17.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
377 ATOM 6 CG MET A 1 42.992 -0.041 7.560 1.00 36.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
378 ATOM 7 SD MET A 1 44.054 1.325 8.014 1.00 38.78 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
379 ATOM 8 CE MET A 1 45.547 0.862 7.131 1.00 38.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
380 ATOM 9 N ASN A 2 41.675 -0.920 10.337 1.00 19.45 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
381 ATOM 10 CA ASN A 2 40.322 -0.843 10.858 1.00 11.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
382 ATOM 11 C ASN A 2 39.927 0.639 10.887 1.00 16.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
383 ATOM 12 O ASN A 2 40.814 1.466 10.651 1.00 14.56 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
384 ATOM 13 CB ASN A 2 40.218 -1.520 12.262 1.00 12.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
385 ATOM 14 CG ASN A 2 41.172 -0.925 13.276 1.00 20.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
386 ATOM 15 OD1 ASN A 2 41.087 0.279 13.565 1.00 18.36 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
387 ATOM 16 ND2 ASN A 2 42.093 -1.737 13.785 1.00 16.84 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
388 ATOM 17 N ILE A 3 38.646 0.957 11.221 1.00 13.15 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
389 ATOM 18 CA ILE A 3 38.130 2.334 11.279 1.00 18.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
390 ATOM 19 C ILE A 3 39.008 3.332 12.112 1.00 19.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
391 ATOM 20 O ILE A 3 39.257 4.495 11.744 1.00 15.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
392 ATOM 21 CB ILE A 3 36.622 2.346 11.600 1.00 20.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
393 ATOM 22 CG1 ILE A 3 36.056 3.775 11.532 1.00 13.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
394 ATOM 23 CG2 ILE A 3 36.359 1.673 12.957 1.00 8.64 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
395 ATOM 24 CD1 ILE A 3 36.296 4.495 10.184 1.00 7.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
396 ATOM 25 N PHE A 4 39.523 2.842 13.250 1.00 12.76 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
397 ATOM 26 CA PHE A 4 40.367 3.618 14.148 1.00 8.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
398 ATOM 27 C PHE A 4 41.692 4.017 13.543 1.00 21.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
399 ATOM 28 O PHE A 4 42.072 5.186 13.578 1.00 13.97 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
400 ATOM 29 CB PHE A 4 40.567 2.924 15.486 1.00 13.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
401 ATOM 30 CG PHE A 4 39.295 2.878 16.291 1.00 17.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
402 ATOM 31 CD1 PHE A 4 38.936 3.937 17.123 1.00 18.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
403 ATOM 32 CD2 PHE A 4 38.488 1.739 16.283 1.00 16.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
404 ATOM 33 CE1 PHE A 4 37.778 3.895 17.904 1.00 25.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
405 ATOM 34 CE2 PHE A 4 37.322 1.684 17.047 1.00 19.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
406 ATOM 35 CZ PHE A 4 36.975 2.757 17.870 1.00 20.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
407 ATOM 36 N GLU A 5 42.394 3.049 12.989 1.00 13.96 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
408 ATOM 37 CA GLU A 5 43.640 3.322 12.336 1.00 14.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
409 ATOM 38 C GLU A 5 43.402 4.180 11.111 1.00 19.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
410 ATOM 39 O GLU A 5 44.211 5.005 10.786 1.00 17.03 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
411 ATOM 40 CB GLU A 5 44.341 2.036 11.886 1.00 12.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
412 ATOM 41 CG GLU A 5 44.649 1.082 13.052 1.00 21.73 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
413 ATOM 42 CD GLU A 5 45.212 -0.251 12.624 1.00 40.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
414 ATOM 43 OE1 GLU A 5 45.445 -0.560 11.464 1.00 46.12 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
415 ATOM 44 OE2 GLU A 5 45.443 -1.043 13.646 1.00 87.76 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
416 ATOM 45 N MET A 6 42.290 3.956 10.416 1.00 16.52 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
417 ATOM 46 CA MET A 6 41.960 4.735 9.235 1.00 13.40 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
418 ATOM 47 C MET A 6 41.786 6.230 9.559 1.00 23.32 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
419 ATOM 48 O MET A 6 42.364 7.115 8.896 1.00 14.81 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
420 ATOM 49 CB MET A 6 40.638 4.204 8.644 1.00 14.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
421 ATOM 50 CG MET A 6 40.306 4.807 7.282 1.00 9.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
422 ATOM 51 SD MET A 6 38.530 4.556 6.883 1.00 13.92 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
423 ATOM 52 CE MET A 6 38.416 4.595 5.066 1.00 15.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
424 ATOM 53 N LEU A 7 40.930 6.512 10.566 1.00 14.53 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
425 ATOM 54 CA LEU A 7 40.678 7.905 10.962 1.00 21.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
426 ATOM 55 C LEU A 7 41.911 8.573 11.600 1.00 18.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
427 ATOM 56 O LEU A 7 42.139 9.788 11.493 1.00 15.56 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
428 ATOM 57 CB LEU A 7 39.461 7.978 11.870 1.00 18.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
429 ATOM 58 CG LEU A 7 38.189 7.924 11.063 1.00 16.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
430 ATOM 59 CD1 LEU A 7 37.014 7.560 11.971 1.00 17.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
431 ATOM 60 CD2 LEU A 7 37.986 9.269 10.370 1.00 15.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
432 ATOM 61 N ARG A 8 42.708 7.762 12.273 1.00 14.16 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
433 ATOM 62 CA ARG A 8 43.917 8.261 12.880 1.00 19.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
434 ATOM 63 C ARG A 8 44.865 8.781 11.808 1.00 26.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
435 ATOM 64 O ARG A 8 45.528 9.774 12.024 1.00 21.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
436 ATOM 65 CB ARG A 8 44.586 7.325 13.869 1.00 20.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
437 ATOM 66 CG ARG A 8 46.027 7.718 14.184 1.00 37.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
438 ATOM 67 CD ARG A 8 46.170 8.712 15.353 1.00 42.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
439 ATOM 68 NE ARG A 8 47.524 9.293 15.530 1.00 46.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
440 ATOM 69 CZ ARG A 8 48.229 9.972 14.607 1.00 99.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
441 ATOM 70 NH1 ARG A 8 47.777 10.221 13.368 1.00 32.80 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
442 ATOM 71 NH2 ARG A 8 49.430 10.433 14.949 1.00 91.26 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
443 ATOM 72 N ILE A 9 44.882 8.142 10.640 1.00 16.92 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
444 ATOM 73 CA ILE A 9 45.673 8.563 9.496 1.00 16.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
445 ATOM 74 C ILE A 9 45.072 9.813 8.829 1.00 27.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
446 ATOM 75 O ILE A 9 45.743 10.755 8.446 1.00 18.28 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
447 ATOM 76 CB ILE A 9 45.825 7.439 8.446 1.00 20.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
448 ATOM 77 CG1 ILE A 9 46.883 6.436 8.859 1.00 13.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
449 ATOM 78 CG2 ILE A 9 46.135 7.977 7.034 1.00 17.06 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
450 ATOM 79 CD1 ILE A 9 46.565 5.036 8.332 1.00 14.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
451 ATOM 80 N ASP A 10 43.782 9.852 8.693 1.00 15.81 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
452 ATOM 81 CA ASP A 10 43.153 11.003 8.063 1.00 15.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
453 ATOM 82 C ASP A 10 43.093 12.295 8.910 1.00 21.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
454 ATOM 83 O ASP A 10 43.130 13.406 8.391 1.00 17.28 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
455 ATOM 84 CB ASP A 10 41.730 10.592 7.624 1.00 16.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
456 ATOM 85 CG ASP A 10 41.760 9.803 6.377 1.00 13.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
457 ATOM 86 OD1 ASP A 10 42.695 9.816 5.611 1.00 20.55 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
458 ATOM 87 OD2 ASP A 10 40.712 9.060 6.233 1.00 17.18 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
459 ATOM 88 N GLU A 11 42.945 12.153 10.224 1.00 15.81 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
460 ATOM 89 CA GLU A 11 42.797 13.289 11.103 1.00 19.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
461 ATOM 90 C GLU A 11 44.052 13.749 11.841 1.00 20.40 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
462 ATOM 91 O GLU A 11 44.089 14.894 12.260 1.00 23.72 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
463 ATOM 92 CB GLU A 11 41.697 12.982 12.133 1.00 14.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
464 ATOM 93 CG GLU A 11 40.376 12.667 11.443 1.00 17.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
465 ATOM 94 CD GLU A 11 39.697 13.912 10.945 1.00 27.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
466 ATOM 95 OE1 GLU A 11 40.323 15.018 11.244 1.00 21.14 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
467 ATOM 96 OE2 GLU A 11 38.656 13.904 10.343 1.00 20.55 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
468 ATOM 97 N GLY A 12 45.035 12.858 12.032 1.00 14.20 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
469 ATOM 98 CA GLY A 12 46.232 13.131 12.806 1.00 18.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
470 ATOM 99 C GLY A 12 45.899 13.169 14.304 1.00 20.59 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
471 ATOM 100 O GLY A 12 44.810 12.854 14.722 1.00 21.58 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
472 ATOM 101 N LEU A 13 46.836 13.559 15.141 1.00 19.85 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
473 ATOM 102 CA LEU A 13 46.609 13.677 16.565 1.00 22.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
474 ATOM 103 C LEU A 13 47.261 14.972 17.039 1.00 44.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
475 ATOM 104 O LEU A 13 48.431 15.186 16.806 1.00 26.20 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
476 ATOM 105 CB LEU A 13 47.176 12.474 17.338 1.00 38.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
477 ATOM 106 CG LEU A 13 47.507 12.775 18.806 1.00 40.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
478 ATOM 107 CD1 LEU A 13 46.230 12.764 19.641 1.00 28.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
479 ATOM 108 CD2 LEU A 13 48.473 11.727 19.353 1.00 46.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
480 ATOM 109 N ARG A 14 46.519 15.861 17.664 1.00 27.36 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
481 ATOM 110 CA ARG A 14 47.072 17.111 18.151 1.00 21.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
482 ATOM 111 C ARG A 14 46.637 17.313 19.543 1.00 18.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
483 ATOM 112 O ARG A 14 45.464 17.155 19.839 1.00 17.64 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
484 ATOM 113 CB ARG A 14 46.786 18.278 17.235 1.00 21.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
485 ATOM 114 CG ARG A 14 47.611 18.057 15.960 1.00 32.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
486 ATOM 115 CD ARG A 14 47.523 19.146 14.885 1.00 38.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
487 ATOM 116 NE ARG A 14 48.169 20.392 15.285 1.00 68.59 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
488 ATOM 117 CZ ARG A 14 48.045 21.562 14.644 1.00 68.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
489 ATOM 118 NH1 ARG A 14 47.305 21.721 13.545 1.00 57.76 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
490 ATOM 119 NH2 ARG A 14 48.693 22.618 15.121 1.00 67.84 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
491 ATOM 120 N LEU A 15 47.595 17.574 20.411 1.00 16.44 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
492 ATOM 121 CA LEU A 15 47.275 17.692 21.801 1.00 23.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
493 ATOM 122 C LEU A 15 46.977 19.081 22.288 1.00 30.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
494 ATOM 123 O LEU A 15 46.694 19.236 23.471 1.00 29.20 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
495 ATOM 124 CB LEU A 15 48.326 17.033 22.690 1.00 24.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
496 ATOM 125 CG LEU A 15 48.476 15.536 22.446 1.00 26.92 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
497 ATOM 126 CD1 LEU A 15 49.575 15.021 23.360 1.00 27.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
498 ATOM 127 CD2 LEU A 15 47.167 14.818 22.759 1.00 29.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
499 ATOM 128 N LYS A 16 47.056 20.075 21.411 1.00 19.85 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
500 ATOM 129 CA LYS A 16 46.764 21.473 21.775 1.00 23.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
501 ATOM 130 C LYS A 16 45.688 21.980 20.817 1.00 18.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
502 ATOM 131 O LYS A 16 45.665 21.488 19.685 1.00 24.77 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
503 ATOM 132 CB LYS A 16 48.073 22.289 21.769 1.00 37.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
504 ATOM 133 CG LYS A 16 47.898 23.782 21.584 1.00 68.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
505 ATOM 134 CD LYS A 16 48.159 24.572 22.857 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
506 ATOM 135 CE LYS A 16 46.870 25.038 23.522 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
507 ATOM 136 NZ LYS A 16 47.076 26.091 24.527 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
508 ATOM 137 N ILE A 17 44.753 22.868 21.267 1.00 27.43 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
509 ATOM 138 CA ILE A 17 43.668 23.352 20.390 1.00 20.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
510 ATOM 139 C ILE A 17 44.264 23.817 19.092 1.00 33.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
511 ATOM 140 O ILE A 17 45.327 24.439 19.129 1.00 27.11 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
512 ATOM 141 CB ILE A 17 42.804 24.480 20.999 1.00 21.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
513 ATOM 142 CG1 ILE A 17 42.050 23.954 22.217 1.00 19.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
514 ATOM 143 CG2 ILE A 17 41.805 25.048 19.979 1.00 21.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
515 ATOM 144 CD1 ILE A 17 41.188 25.006 22.919 1.00 21.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
516 ATOM 145 N TYR A 18 43.631 23.474 17.976 1.00 16.03 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
517 ATOM 146 CA TYR A 18 44.131 23.896 16.669 1.00 16.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
518 ATOM 147 C TYR A 18 42.943 24.190 15.804 1.00 18.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
519 ATOM 148 O TYR A 18 41.802 23.883 16.180 1.00 28.74 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
520 ATOM 149 CB TYR A 18 45.094 22.873 15.992 1.00 17.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
521 ATOM 150 CG TYR A 18 44.395 21.599 15.575 1.00 27.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
522 ATOM 151 CD1 TYR A 18 44.162 20.601 16.524 1.00 26.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
523 ATOM 152 CD2 TYR A 18 43.961 21.397 14.259 1.00 27.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
524 ATOM 153 CE1 TYR A 18 43.497 19.427 16.168 1.00 24.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
525 ATOM 154 CE2 TYR A 18 43.306 20.221 13.880 1.00 27.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
526 ATOM 155 CZ TYR A 18 43.072 19.247 14.848 1.00 25.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
527 ATOM 156 OH TYR A 18 42.449 18.088 14.524 1.00 34.81 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
528 ATOM 157 N LYS A 19 43.196 24.787 14.651 1.00 16.02 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
529 ATOM 158 CA LYS A 19 42.123 25.055 13.726 1.00 19.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
530 ATOM 159 C LYS A 19 42.144 23.993 12.657 1.00 41.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
531 ATOM 160 O LYS A 19 43.208 23.603 12.144 1.00 21.68 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
532 ATOM 161 CB LYS A 19 42.204 26.414 13.073 1.00 26.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
533 ATOM 162 CG LYS A 19 41.924 27.503 14.055 1.00 14.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
534 ATOM 163 CD LYS A 19 41.482 28.762 13.372 1.00 41.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
535 ATOM 164 CE LYS A 19 41.859 29.995 14.164 1.00 31.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
536 ATOM 165 NZ LYS A 19 41.486 31.253 13.499 1.00 42.09 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
537 ATOM 166 N ASP A 20 40.955 23.521 12.332 1.00 21.89 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
538 ATOM 167 CA ASP A 20 40.827 22.500 11.327 1.00 18.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
539 ATOM 168 C ASP A 20 40.911 23.061 9.895 1.00 36.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
540 ATOM 169 O ASP A 20 41.183 24.237 9.687 1.00 23.32 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
541 ATOM 170 CB ASP A 20 39.632 21.586 11.634 1.00 13.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
542 ATOM 171 CG ASP A 20 38.276 22.082 11.210 1.00 22.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
543 ATOM 172 OD1 ASP A 20 38.276 23.288 10.764 1.00 25.53 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
544 ATOM 173 OD2 ASP A 20 37.265 21.414 11.265 1.00 20.96 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
545 ATOM 174 N THR A 21 40.656 22.251 8.882 1.00 23.37 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
546 ATOM 175 CA THR A 21 40.782 22.770 7.531 1.00 26.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
547 ATOM 176 C THR A 21 39.794 23.823 7.214 1.00 35.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
548 ATOM 177 O THR A 21 39.999 24.562 6.252 1.00 31.67 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
549 ATOM 178 CB THR A 21 40.690 21.709 6.445 1.00 36.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
550 ATOM 179 OG1 THR A 21 39.336 21.335 6.363 1.00 37.89 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
551 ATOM 180 CG2 THR A 21 41.530 20.490 6.832 1.00 42.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
552 ATOM 181 N GLU A 22 38.710 23.856 7.990 1.00 31.70 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
553 ATOM 182 CA GLU A 22 37.649 24.842 7.753 1.00 19.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
554 ATOM 183 C GLU A 22 37.825 26.080 8.612 1.00 22.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
555 ATOM 184 O GLU A 22 37.067 27.002 8.502 1.00 26.62 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
556 ATOM 185 CB GLU A 22 36.283 24.223 8.011 1.00 19.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
557 ATOM 186 CG GLU A 22 35.903 23.121 6.995 1.00 34.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
558 ATOM 187 CD GLU A 22 35.610 23.596 5.592 1.00 31.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
559 ATOM 188 OE1 GLU A 22 35.076 24.777 5.527 1.00 59.86 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
560 ATOM 189 OE2 GLU A 22 35.803 22.921 4.608 1.00 66.24 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
561 ATOM 190 N GLY A 23 38.849 26.031 9.477 1.00 25.75 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
562 ATOM 191 CA GLY A 23 39.162 27.087 10.404 1.00 16.27 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
563 ATOM 192 C GLY A 23 38.504 26.915 11.753 1.00 44.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
564 ATOM 193 O GLY A 23 38.463 27.875 12.501 1.00 24.37 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
565 ATOM 194 N TYR A 24 38.000 25.711 12.094 1.00 23.88 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
566 ATOM 195 CA TYR A 24 37.353 25.542 13.416 1.00 24.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
567 ATOM 196 C TYR A 24 38.236 24.943 14.466 1.00 27.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
568 ATOM 197 O TYR A 24 39.039 24.055 14.173 1.00 25.68 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
569 ATOM 198 CB TYR A 24 36.094 24.687 13.394 1.00 32.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
570 ATOM 199 CG TYR A 24 35.092 25.183 12.417 1.00 28.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
571 ATOM 200 CD1 TYR A 24 34.705 26.520 12.413 1.00 53.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
572 ATOM 201 CD2 TYR A 24 34.506 24.302 11.513 1.00 19.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
573 ATOM 202 CE1 TYR A 24 33.739 26.986 11.524 1.00 45.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
574 ATOM 203 CE2 TYR A 24 33.562 24.760 10.595 1.00 36.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
575 ATOM 204 CZ TYR A 24 33.180 26.101 10.604 1.00 56.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
576 ATOM 205 OH TYR A 24 32.245 26.551 9.714 1.00 45.11 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
577 ATOM 206 N TYR A 25 38.007 25.431 15.692 1.00 15.99 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
578 ATOM 207 CA TYR A 25 38.703 24.984 16.895 1.00 11.94 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
579 ATOM 208 C TYR A 25 38.439 23.499 17.105 1.00 11.94 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
580 ATOM 209 O TYR A 25 37.268 23.099 17.238 1.00 15.34 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
581 ATOM 210 CB TYR A 25 38.307 25.855 18.115 1.00 18.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
582 ATOM 211 CG TYR A 25 38.894 27.242 18.016 1.00 34.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
583 ATOM 212 CD1 TYR A 25 40.271 27.382 17.848 1.00 27.65 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
584 ATOM 213 CD2 TYR A 25 38.097 28.388 18.057 1.00 33.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
585 ATOM 214 CE1 TYR A 25 40.840 28.650 17.734 1.00 39.06 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
586 ATOM 215 CE2 TYR A 25 38.645 29.669 17.931 1.00 23.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
587 ATOM 216 CZ TYR A 25 40.027 29.783 17.801 1.00 44.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
588 ATOM 217 OH TYR A 25 40.583 31.024 17.670 1.00 49.20 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
589 ATOM 218 N THR A 26 39.533 22.714 17.039 1.00 15.96 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
590 ATOM 219 CA THR A 26 39.531 21.254 17.150 1.00 21.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
591 ATOM 220 C THR A 26 40.640 20.872 18.122 1.00 20.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
592 ATOM 221 O THR A 26 41.491 21.681 18.416 1.00 25.42 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
593 ATOM 222 CB THR A 26 39.836 20.698 15.707 1.00 24.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
594 ATOM 223 OG1 THR A 26 38.890 21.162 14.781 1.00 19.65 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
595 ATOM 224 CG2 THR A 26 39.977 19.183 15.536 1.00 13.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
596 ATOM 225 N ILE A 27 40.637 19.640 18.613 1.00 18.89 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
597 ATOM 226 CA ILE A 27 41.690 19.092 19.464 1.00 21.14 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
598 ATOM 227 C ILE A 27 41.718 17.566 19.220 1.00 18.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
599 ATOM 228 O ILE A 27 40.750 16.979 18.711 1.00 16.35 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
600 ATOM 229 CB ILE A 27 41.518 19.451 20.950 1.00 24.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
601 ATOM 230 CG1 ILE A 27 42.785 19.176 21.766 1.00 25.32 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
602 ATOM 231 CG2 ILE A 27 40.327 18.678 21.501 1.00 23.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
603 ATOM 232 CD1 ILE A 27 43.111 20.273 22.751 1.00 23.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
604 ATOM 233 N GLY A 28 42.808 16.918 19.577 1.00 13.69 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
605 ATOM 234 CA GLY A 28 42.921 15.459 19.503 1.00 18.65 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
606 ATOM 235 C GLY A 28 42.891 14.893 18.093 1.00 32.78 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
607 ATOM 236 O GLY A 28 43.631 15.346 17.226 1.00 17.03 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
608 ATOM 237 N ILE A 29 42.049 13.872 17.914 1.00 19.09 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
609 ATOM 238 CA ILE A 29 41.904 13.202 16.642 1.00 20.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
610 ATOM 239 C ILE A 29 40.667 13.689 15.912 1.00 18.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
611 ATOM 240 O ILE A 29 39.682 12.961 15.756 1.00 16.35 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
612 ATOM 241 CB ILE A 29 41.937 11.654 16.737 1.00 24.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
613 ATOM 242 CG1 ILE A 29 43.233 11.195 17.408 1.00 26.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
614 ATOM 243 CG2 ILE A 29 41.887 11.056 15.327 1.00 21.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
615 ATOM 244 CD1 ILE A 29 43.058 10.008 18.337 1.00 20.13 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
616 ATOM 245 N GLY A 30 40.712 14.938 15.460 1.00 14.79 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
617 ATOM 246 CA GLY A 30 39.581 15.472 14.732 1.00 12.92 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
618 ATOM 247 C GLY A 30 38.334 15.746 15.582 1.00 15.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
619 ATOM 248 O GLY A 30 37.205 15.716 15.097 1.00 20.15 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
620 ATOM 249 N HIS A 31 38.500 16.048 16.856 1.00 14.09 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
621 ATOM 250 CA HIS A 31 37.325 16.340 17.664 1.00 10.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
622 ATOM 251 C HIS A 31 36.956 17.811 17.550 1.00 17.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
623 ATOM 252 O HIS A 31 37.635 18.676 18.149 1.00 17.35 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
624 ATOM 253 CB HIS A 31 37.580 15.965 19.155 1.00 9.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
625 ATOM 254 CG HIS A 31 36.362 16.220 19.988 1.00 16.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
626 ATOM 255 ND1 HIS A 31 35.281 15.352 19.953 1.00 22.15 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
627 ATOM 256 CD2 HIS A 31 36.036 17.264 20.821 1.00 23.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
628 ATOM 257 CE1 HIS A 31 34.335 15.868 20.745 1.00 18.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
629 ATOM 258 NE2 HIS A 31 34.752 17.022 21.283 1.00 20.39 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
630 ATOM 259 N LEU A 32 35.888 18.123 16.786 1.00 19.89 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
631 ATOM 260 CA LEU A 32 35.434 19.506 16.649 1.00 22.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
632 ATOM 261 C LEU A 32 34.989 20.052 18.006 1.00 21.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
633 ATOM 262 O LEU A 32 34.230 19.452 18.772 1.00 18.93 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
634 ATOM 263 CB LEU A 32 34.317 19.631 15.603 1.00 28.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
635 ATOM 264 CG LEU A 32 33.757 21.065 15.455 1.00 40.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
636 ATOM 265 CD1 LEU A 32 34.829 22.054 15.001 1.00 27.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
637 ATOM 266 CD2 LEU A 32 32.642 21.081 14.421 1.00 41.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
638 ATOM 267 N LEU A 33 35.475 21.192 18.349 1.00 21.56 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
639 ATOM 268 CA LEU A 33 35.078 21.729 19.619 1.00 19.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
640 ATOM 269 C LEU A 33 33.908 22.714 19.478 1.00 29.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
641 ATOM 270 O LEU A 33 32.944 22.651 20.239 1.00 22.70 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
642 ATOM 271 CB LEU A 33 36.262 22.444 20.297 1.00 22.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
643 ATOM 272 CG LEU A 33 37.287 21.510 20.900 1.00 26.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
644 ATOM 273 CD1 LEU A 33 38.456 22.373 21.319 1.00 19.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
645 ATOM 274 CD2 LEU A 33 36.692 20.792 22.117 1.00 13.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
646 ATOM 275 N THR A 34 34.030 23.648 18.517 1.00 17.91 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
647 ATOM 276 CA THR A 34 33.040 24.694 18.281 1.00 36.94 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
648 ATOM 277 C THR A 34 33.277 25.379 16.960 1.00 38.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
649 ATOM 278 O THR A 34 34.439 25.521 16.556 1.00 26.47 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
650 ATOM 279 CB THR A 34 33.109 25.828 19.362 1.00 38.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
651 ATOM 280 OG1 THR A 34 32.139 26.835 19.135 1.00 32.13 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
652 ATOM 281 CG2 THR A 34 34.479 26.487 19.449 1.00 25.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
653 ATOM 282 N LYS A 35 32.178 25.840 16.329 1.00 21.03 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
654 ATOM 283 CA LYS A 35 32.312 26.618 15.115 1.00 42.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
655 ATOM 284 C LYS A 35 32.464 28.109 15.399 1.00 49.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
656 ATOM 285 O LYS A 35 32.635 28.890 14.480 1.00 44.84 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
657 ATOM 286 CB LYS A 35 31.247 26.369 14.100 1.00 27.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
658 ATOM 287 CG LYS A 35 31.270 24.915 13.693 1.00 38.85 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
659 ATOM 288 CD LYS A 35 30.196 24.606 12.682 1.00 33.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
660 ATOM 289 CE LYS A 35 30.044 23.119 12.477 1.00 44.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
661 ATOM 290 NZ LYS A 35 29.871 22.743 11.072 1.00 99.38 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
662 ATOM 291 N SER A 36 32.423 28.491 16.673 1.00 47.90 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
663 ATOM 292 CA SER A 36 32.586 29.877 17.098 1.00 50.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
664 ATOM 293 C SER A 36 34.039 30.342 16.961 1.00 48.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
665 ATOM 294 O SER A 36 34.984 29.576 17.201 1.00 29.10 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
666 ATOM 295 CB SER A 36 32.103 30.099 18.525 1.00 46.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
667 ATOM 296 OG SER A 36 33.055 30.878 19.233 1.00 86.49 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
668 ATOM 297 N PRO A 37 34.228 31.625 16.606 1.00 52.43 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
669 ATOM 298 CA PRO A 37 35.561 32.190 16.409 1.00 37.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
670 ATOM 299 C PRO A 37 36.364 32.379 17.683 1.00 37.68 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
671 ATOM 300 O PRO A 37 37.572 32.627 17.658 1.00 68.51 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
672 ATOM 301 CB PRO A 37 35.334 33.516 15.704 1.00 45.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
673 ATOM 302 CG PRO A 37 33.953 33.444 15.089 1.00 54.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
674 ATOM 303 CD PRO A 37 33.194 32.404 15.886 1.00 29.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
675 ATOM 304 N SER A 38 35.682 32.213 18.804 1.00 50.22 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
676 ATOM 305 CA SER A 38 36.277 32.436 20.095 1.00 33.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
677 ATOM 306 C SER A 38 37.081 31.302 20.652 1.00 31.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
678 ATOM 307 O SER A 38 36.573 30.200 20.873 1.00 33.48 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
679 ATOM 308 CB SER A 38 35.270 32.944 21.124 1.00 36.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
680 ATOM 309 OG SER A 38 35.885 33.091 22.394 1.00 38.78 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
681 ATOM 310 N LEU A 39 38.329 31.628 20.942 1.00 25.77 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
682 ATOM 311 CA LEU A 39 39.195 30.653 21.518 1.00 25.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
683 ATOM 312 C LEU A 39 38.731 30.365 22.925 1.00 37.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
684 ATOM 313 O LEU A 39 38.994 29.321 23.525 1.00 27.95 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
685 ATOM 314 CB LEU A 39 40.692 31.019 21.415 1.00 29.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
686 ATOM 315 CG LEU A 39 41.546 30.011 22.155 1.00 51.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
687 ATOM 316 CD1 LEU A 39 41.522 28.669 21.431 1.00 26.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
688 ATOM 317 CD2 LEU A 39 42.957 30.533 22.241 1.00 30.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
689 ATOM 318 N ASN A 40 37.971 31.285 23.453 1.00 32.37 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
690 ATOM 319 CA ASN A 40 37.485 31.045 24.785 1.00 34.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
691 ATOM 320 C ASN A 40 36.283 30.156 24.761 1.00 20.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
692 ATOM 321 O ASN A 40 36.131 29.335 25.647 1.00 25.78 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
693 ATOM 322 CB ASN A 40 37.231 32.319 25.582 1.00 58.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
694 ATOM 323 CG ASN A 40 38.480 33.154 25.624 1.00 97.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
695 ATOM 324 OD1 ASN A 40 39.393 32.885 26.418 1.00 63.93 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
696 ATOM 325 ND2 ASN A 40 38.531 34.143 24.736 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
697 ATOM 326 N ALA A 41 35.412 30.331 23.766 1.00 22.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
698 ATOM 327 CA ALA A 41 34.272 29.446 23.669 1.00 28.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
699 ATOM 328 C ALA A 41 34.800 28.004 23.476 1.00 89.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
700 ATOM 329 O ALA A 41 34.274 27.058 24.044 1.00 26.13 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
701 ATOM 330 CB ALA A 41 33.282 29.886 22.599 1.00 20.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
702 ATOM 331 N ALA A 42 35.910 27.861 22.712 1.00 21.80 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
703 ATOM 332 CA ALA A 42 36.626 26.587 22.450 1.00 25.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
704 ATOM 333 C ALA A 42 37.225 26.018 23.713 1.00 21.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
705 ATOM 334 O ALA A 42 37.108 24.814 23.991 1.00 26.66 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
706 ATOM 335 CB ALA A 42 37.766 26.725 21.451 1.00 26.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
707 ATOM 336 N LYS A 43 37.876 26.873 24.488 1.00 20.78 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
708 ATOM 337 CA LYS A 43 38.448 26.396 25.745 1.00 26.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
709 ATOM 338 C LYS A 43 37.367 25.885 26.725 1.00 18.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
710 ATOM 339 O LYS A 43 37.536 24.888 27.418 1.00 22.57 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
711 ATOM 340 CB LYS A 43 39.358 27.415 26.401 1.00 29.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
712 ATOM 341 CG LYS A 43 40.817 27.310 25.975 1.00 32.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
713 ATOM 342 CD LYS A 43 41.658 28.449 26.537 1.00 39.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
714 ATOM 343 CE LYS A 43 43.132 28.368 26.191 1.00 70.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
715 ATOM 344 NZ LYS A 43 43.999 28.709 27.328 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
716 ATOM 345 N SER A 44 36.232 26.573 26.760 1.00 25.21 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
717 ATOM 346 CA SER A 44 35.084 26.220 27.588 1.00 40.39 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
718 ATOM 347 C SER A 44 34.493 24.831 27.227 1.00 25.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
719 ATOM 348 O SER A 44 34.221 24.015 28.094 1.00 25.06 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
720 ATOM 349 CB SER A 44 34.020 27.309 27.465 1.00 24.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
721 ATOM 350 OG SER A 44 33.580 27.696 28.747 1.00 55.07 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
722 ATOM 351 N GLU A 45 34.276 24.599 25.934 1.00 20.29 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
723 ATOM 352 CA GLU A 45 33.776 23.354 25.398 1.00 20.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
724 ATOM 353 C GLU A 45 34.770 22.253 25.727 1.00 21.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
725 ATOM 354 O GLU A 45 34.390 21.147 26.109 1.00 25.55 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
726 ATOM 355 CB GLU A 45 33.651 23.425 23.864 1.00 17.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
727 ATOM 356 CG GLU A 45 32.470 24.292 23.431 1.00 20.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
728 ATOM 357 CD GLU A 45 31.171 23.690 23.915 1.00 25.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
729 ATOM 358 OE1 GLU A 45 30.924 22.504 23.847 1.00 33.86 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
730 ATOM 359 OE2 GLU A 45 30.325 24.557 24.405 1.00 34.26 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
731 ATOM 360 N LEU A 46 36.055 22.574 25.586 1.00 18.51 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
732 ATOM 361 CA LEU A 46 37.090 21.624 25.898 1.00 23.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
733 ATOM 362 C LEU A 46 37.029 21.097 27.350 1.00 27.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
734 ATOM 363 O LEU A 46 37.085 19.895 27.625 1.00 24.47 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
735 ATOM 364 CB LEU A 46 38.510 22.141 25.543 1.00 21.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
736 ATOM 365 CG LEU A 46 39.572 21.072 25.814 1.00 20.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
737 ATOM 366 CD1 LEU A 46 39.228 19.800 25.053 1.00 20.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
738 ATOM 367 CD2 LEU A 46 40.957 21.569 25.406 1.00 20.18 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
739 ATOM 368 N ASP A 47 36.932 22.015 28.302 1.00 29.27 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
740 ATOM 369 CA ASP A 47 36.889 21.663 29.720 1.00 22.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
741 ATOM 370 C ASP A 47 35.665 20.848 30.051 1.00 24.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
742 ATOM 371 O ASP A 47 35.710 19.943 30.884 1.00 24.60 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
743 ATOM 372 CB ASP A 47 36.925 22.908 30.620 1.00 27.92 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
744 ATOM 373 CG ASP A 47 38.241 23.645 30.611 1.00 28.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
745 ATOM 374 OD1 ASP A 47 39.335 23.146 30.311 1.00 29.37 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
746 ATOM 375 OD2 ASP A 47 38.067 24.873 30.998 1.00 31.50 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
747 ATOM 376 N LYS A 48 34.576 21.227 29.395 1.00 15.93 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
748 ATOM 377 CA LYS A 48 33.285 20.550 29.520 1.00 22.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
749 ATOM 378 C LYS A 48 33.396 19.088 29.003 1.00 14.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
750 ATOM 379 O LYS A 48 32.939 18.139 29.617 1.00 19.71 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
751 ATOM 380 CB LYS A 48 32.239 21.340 28.733 1.00 12.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
752 ATOM 381 CG LYS A 48 30.892 20.660 28.585 1.00 24.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
753 ATOM 382 CD LYS A 48 29.732 21.615 28.309 1.00 24.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
754 ATOM 383 CE LYS A 48 29.749 22.290 26.959 1.00 15.73 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
755 ATOM 384 NZ LYS A 48 29.317 21.472 25.854 1.00 18.48 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
756 ATOM 385 N ALA A 49 34.054 18.913 27.864 1.00 27.07 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
757 ATOM 386 CA ALA A 49 34.248 17.605 27.284 1.00 31.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
758 ATOM 387 C ALA A 49 35.126 16.664 28.136 1.00 20.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
759 ATOM 388 O ALA A 49 34.794 15.500 28.287 1.00 21.01 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
760 ATOM 389 CB ALA A 49 34.713 17.723 25.838 1.00 19.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
761 ATOM 390 N ILE A 50 36.227 17.190 28.685 1.00 21.91 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
762 ATOM 391 CA ILE A 50 37.199 16.469 29.513 1.00 19.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
763 ATOM 392 C ILE A 50 36.819 16.340 31.004 1.00 19.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
764 ATOM 393 O ILE A 50 37.227 15.393 31.705 1.00 26.50 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
765 ATOM 394 CB ILE A 50 38.600 17.109 29.351 1.00 35.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
766 ATOM 395 CG1 ILE A 50 38.955 17.207 27.868 1.00 46.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
767 ATOM 396 CG2 ILE A 50 39.718 16.391 30.133 1.00 19.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
768 ATOM 397 CD1 ILE A 50 38.855 15.866 27.138 1.00 35.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
769 ATOM 398 N GLY A 51 36.053 17.287 31.510 1.00 20.52 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
770 ATOM 399 CA GLY A 51 35.695 17.205 32.915 1.00 21.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
771 ATOM 400 C GLY A 51 36.795 17.770 33.821 1.00 33.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
772 ATOM 401 O GLY A 51 36.936 17.396 34.980 1.00 32.95 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
773 ATOM 402 N ARG A 52 37.587 18.690 33.271 1.00 33.13 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
774 ATOM 403 CA ARG A 52 38.636 19.347 34.024 1.00 25.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
775 ATOM 404 C ARG A 52 39.076 20.636 33.358 1.00 51.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
776 ATOM 405 O ARG A 52 38.734 20.916 32.204 1.00 31.97 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
777 ATOM 406 CB ARG A 52 39.814 18.431 34.334 1.00 28.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
778 ATOM 407 CG ARG A 52 40.896 18.459 33.274 1.00 26.94 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
779 ATOM 408 CD ARG A 52 41.748 17.227 33.345 1.00 29.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
780 ATOM 409 NE ARG A 52 42.691 17.129 32.250 1.00 32.97 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
781 ATOM 410 CZ ARG A 52 43.556 18.061 31.914 1.00 29.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
782 ATOM 411 NH1 ARG A 52 43.638 19.216 32.571 1.00 38.68 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
783 ATOM 412 NH2 ARG A 52 44.355 17.819 30.883 1.00 31.58 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
784 ATOM 413 N ASN A 53 39.804 21.421 34.128 1.00 31.25 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
785 ATOM 414 CA ASN A 53 40.349 22.665 33.671 1.00 37.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
786 ATOM 415 C ASN A 53 41.596 22.340 32.886 1.00 22.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
787 ATOM 416 O ASN A 53 42.597 21.903 33.433 1.00 35.57 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
788 ATOM 417 CB ASN A 53 40.617 23.582 34.865 1.00 41.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
789 ATOM 418 CG ASN A 53 39.833 24.843 34.640 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
790 ATOM 419 OD1 ASN A 53 38.642 24.918 34.983 1.00100.00 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
791 ATOM 420 ND2 ASN A 53 40.473 25.794 33.958 1.00 48.69 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
792 ATOM 421 N THR A 54 41.530 22.450 31.581 1.00 30.66 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
793 ATOM 422 CA THR A 54 42.673 21.993 30.811 1.00 25.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
794 ATOM 423 C THR A 54 43.569 23.059 30.256 1.00 42.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
795 ATOM 424 O THR A 54 44.620 22.722 29.726 1.00 44.03 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
796 ATOM 425 CB THR A 54 42.194 21.203 29.582 1.00 36.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
797 ATOM 426 OG1 THR A 54 41.544 22.104 28.694 1.00 31.34 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
798 ATOM 427 CG2 THR A 54 41.248 20.076 29.976 1.00 30.92 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
799 ATOM 428 N ASN A 55 43.132 24.318 30.282 1.00 29.82 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
800 ATOM 429 CA ASN A 55 43.930 25.369 29.703 1.00 53.27 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
801 ATOM 430 C ASN A 55 44.266 25.125 28.211 1.00 44.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
802 ATOM 431 O ASN A 55 45.277 25.624 27.717 1.00 52.95 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
803 ATOM 432 CB ASN A 55 45.198 25.710 30.548 1.00 38.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
804 ATOM 433 CG ASN A 55 45.640 27.168 30.429 1.00 81.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
805 ATOM 434 OD1 ASN A 55 44.880 28.050 29.972 1.00 47.75 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
806 ATOM 435 ND2 ASN A 55 46.881 27.425 30.834 1.00 85.41 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
807 ATOM 436 N GLY A 56 43.444 24.368 27.476 1.00 25.34 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
808 ATOM 437 CA GLY A 56 43.688 24.140 26.043 1.00 20.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
809 ATOM 438 C GLY A 56 44.608 22.979 25.690 1.00 20.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
810 ATOM 439 O GLY A 56 44.972 22.760 24.530 1.00 32.68 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
811 ATOM 440 N VAL A 57 44.985 22.200 26.675 1.00 28.75 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
812 ATOM 441 CA VAL A 57 45.865 21.085 26.397 1.00 15.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
813 ATOM 442 C VAL A 57 45.385 19.792 27.066 1.00 20.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
814 ATOM 443 O VAL A 57 44.961 19.806 28.208 1.00 25.39 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
815 ATOM 444 CB VAL A 57 47.206 21.444 26.951 1.00 37.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
816 ATOM 445 CG1 VAL A 57 48.165 20.279 26.722 1.00 23.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
817 ATOM 446 CG2 VAL A 57 47.664 22.721 26.263 1.00 46.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
818 ATOM 447 N ILE A 58 45.460 18.674 26.351 1.00 27.01 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
819 ATOM 448 CA ILE A 58 45.013 17.386 26.861 1.00 19.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
820 ATOM 449 C ILE A 58 46.117 16.352 26.671 1.00 32.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
821 ATOM 450 O ILE A 58 47.082 16.572 25.940 1.00 25.57 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
822 ATOM 451 CB ILE A 58 43.731 16.917 26.122 1.00 21.33 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
823 ATOM 452 CG1 ILE A 58 44.013 16.726 24.625 1.00 21.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
824 ATOM 453 CG2 ILE A 58 42.550 17.893 26.282 1.00 21.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
825 ATOM 454 CD1 ILE A 58 42.897 15.960 23.911 1.00 20.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
826 ATOM 455 N THR A 59 45.971 15.204 27.318 1.00 19.66 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
827 ATOM 456 CA THR A 59 46.924 14.139 27.175 1.00 18.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
828 ATOM 457 C THR A 59 46.426 13.207 26.070 1.00 25.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
829 ATOM 458 O THR A 59 45.252 13.275 25.695 1.00 24.72 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
830 ATOM 459 CB THR A 59 46.935 13.303 28.468 1.00 41.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
831 ATOM 460 OG1 THR A 59 45.683 12.658 28.549 1.00 26.38 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
832 ATOM 461 CG2 THR A 59 47.140 14.178 29.698 1.00 32.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
833 ATOM 462 N LYS A 60 47.312 12.304 25.627 1.00 31.20 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
834 ATOM 463 CA LYS A 60 47.044 11.279 24.624 1.00 21.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
835 ATOM 464 C LYS A 60 45.853 10.413 24.985 1.00 22.33 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
836 ATOM 465 O LYS A 60 45.000 10.126 24.149 1.00 22.87 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
837 ATOM 466 CB LYS A 60 48.264 10.375 24.418 1.00 25.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
838 ATOM 467 CG LYS A 60 48.134 9.381 23.263 1.00 61.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
839 ATOM 468 CD LYS A 60 49.373 9.367 22.372 1.00 56.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
840 ATOM 469 CE LYS A 60 49.392 8.286 21.299 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
841 ATOM 470 NZ LYS A 60 50.302 8.600 20.186 1.00 89.03 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
842 ATOM 471 N ASP A 61 45.798 9.985 26.257 1.00 22.94 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
843 ATOM 472 CA ASP A 61 44.692 9.162 26.739 1.00 22.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
844 ATOM 473 C ASP A 61 43.351 9.879 26.573 1.00 19.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
845 ATOM 474 O ASP A 61 42.364 9.257 26.170 1.00 17.33 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
846 ATOM 475 CB ASP A 61 44.860 8.772 28.218 1.00 23.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
847 ATOM 476 CG ASP A 61 46.010 7.850 28.507 1.00 64.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
848 ATOM 477 OD1 ASP A 61 46.549 7.332 27.429 1.00 82.49 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
849 ATOM 478 OD2 ASP A 61 46.395 7.611 29.640 1.00100.00 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
850 ATOM 479 N GLU A 62 43.329 11.180 26.959 1.00 22.30 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
851 ATOM 480 CA GLU A 62 42.158 12.046 26.850 1.00 14.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
852 ATOM 481 C GLU A 62 41.762 12.172 25.401 1.00 20.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
853 ATOM 482 O GLU A 62 40.598 12.098 25.053 1.00 22.69 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
854 ATOM 483 CB GLU A 62 42.462 13.410 27.433 1.00 14.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
855 ATOM 484 CG GLU A 62 42.434 13.304 28.964 1.00 16.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
856 ATOM 485 CD GLU A 62 42.845 14.575 29.635 1.00 25.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
857 ATOM 486 OE1 GLU A 62 43.515 15.428 29.091 1.00 24.53 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
858 ATOM 487 OE2 GLU A 62 42.401 14.664 30.851 1.00 25.80 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
859 ATOM 488 N ALA A 63 42.773 12.281 24.542 1.00 19.88 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
860 ATOM 489 CA ALA A 63 42.526 12.356 23.118 1.00 20.78 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
861 ATOM 490 C ALA A 63 41.857 11.089 22.591 1.00 19.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
862 ATOM 491 O ALA A 63 40.894 11.136 21.789 1.00 20.98 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
863 ATOM 492 CB ALA A 63 43.825 12.623 22.372 1.00 19.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
864 ATOM 493 N GLU A 64 42.398 9.951 23.037 1.00 15.76 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
865 ATOM 494 CA GLU A 64 41.887 8.665 22.632 1.00 11.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
866 ATOM 495 C GLU A 64 40.507 8.411 23.140 1.00 14.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
867 ATOM 496 O GLU A 64 39.676 7.792 22.457 1.00 17.41 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
868 ATOM 497 CB GLU A 64 42.872 7.539 22.941 1.00 21.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
869 ATOM 498 CG GLU A 64 43.980 7.577 21.875 1.00 27.26 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
870 ATOM 499 CD GLU A 64 45.236 6.865 22.272 1.00 33.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
871 ATOM 500 OE1 GLU A 64 45.352 6.259 23.329 1.00 89.79 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
872 ATOM 501 OE2 GLU A 64 46.181 6.972 21.361 1.00 71.20 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
873 ATOM 502 N LYS A 65 40.257 8.925 24.335 1.00 15.72 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
874 ATOM 503 CA LYS A 65 38.937 8.763 24.887 1.00 19.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
875 ATOM 504 C LYS A 65 37.887 9.505 24.061 1.00 17.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
876 ATOM 505 O LYS A 65 36.848 8.931 23.711 1.00 19.52 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
877 ATOM 506 CB LYS A 65 38.853 9.156 26.322 1.00 21.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
878 ATOM 507 CG LYS A 65 37.511 8.710 26.824 1.00 40.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
879 ATOM 508 CD LYS A 65 37.406 8.658 28.318 1.00 81.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
880 ATOM 509 CE LYS A 65 35.980 8.342 28.699 1.00 98.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
881 ATOM 510 NZ LYS A 65 35.774 8.349 30.144 1.00 56.20 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
882 ATOM 511 N LEU A 66 38.187 10.777 23.709 1.00 25.06 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
883 ATOM 512 CA LEU A 66 37.290 11.565 22.859 1.00 11.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
884 ATOM 513 C LEU A 66 37.071 10.830 21.542 1.00 13.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
885 ATOM 514 O LEU A 66 35.946 10.688 21.066 1.00 13.64 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
886 ATOM 515 CB LEU A 66 37.774 13.021 22.537 1.00 11.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
887 ATOM 516 CG LEU A 66 37.863 13.971 23.732 1.00 23.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
888 ATOM 517 CD1 LEU A 66 38.558 15.272 23.302 1.00 14.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
889 ATOM 518 CD2 LEU A 66 36.472 14.255 24.300 1.00 20.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
890 ATOM 519 N PHE A 67 38.183 10.336 20.980 1.00 15.25 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
891 ATOM 520 CA PHE A 67 38.165 9.593 19.743 1.00 12.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
892 ATOM 521 C PHE A 67 37.243 8.383 19.848 1.00 14.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
893 ATOM 522 O PHE A 67 36.429 8.189 18.968 1.00 15.21 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
894 ATOM 523 CB PHE A 67 39.584 9.194 19.348 1.00 14.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
895 ATOM 524 CG PHE A 67 39.746 8.556 17.973 1.00 21.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
896 ATOM 525 CD1 PHE A 67 39.008 9.013 16.880 1.00 18.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
897 ATOM 526 CD2 PHE A 67 40.678 7.536 17.777 1.00 12.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
898 ATOM 527 CE1 PHE A 67 39.171 8.487 15.598 1.00 18.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
899 ATOM 528 CE2 PHE A 67 40.888 7.026 16.501 1.00 18.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
900 ATOM 529 CZ PHE A 67 40.128 7.488 15.421 1.00 13.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
901 ATOM 530 N ASN A 68 37.361 7.582 20.926 1.00 16.35 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
902 ATOM 531 CA ASN A 68 36.483 6.427 21.106 1.00 15.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
903 ATOM 532 C ASN A 68 35.012 6.838 21.128 1.00 20.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
904 ATOM 533 O ASN A 68 34.126 6.202 20.557 1.00 24.21 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
905 ATOM 534 CB ASN A 68 36.785 5.659 22.406 1.00 23.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
906 ATOM 535 CG ASN A 68 37.962 4.718 22.241 1.00 49.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
907 ATOM 536 OD1 ASN A 68 38.084 4.050 21.221 1.00 32.79 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
908 ATOM 537 ND2 ASN A 68 38.856 4.690 23.219 1.00 29.67 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
909 ATOM 538 N GLN A 69 34.721 7.915 21.821 1.00 12.87 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
910 ATOM 539 CA GLN A 69 33.342 8.387 21.871 1.00 12.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
911 ATOM 540 C GLN A 69 32.809 8.834 20.532 1.00 13.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
912 ATOM 541 O GLN A 69 31.649 8.630 20.209 1.00 17.87 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
913 ATOM 542 CB GLN A 69 33.238 9.591 22.791 1.00 17.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
914 ATOM 543 CG GLN A 69 33.541 9.156 24.227 1.00 19.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
915 ATOM 544 CD GLN A 69 33.663 10.323 25.198 1.00 43.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
916 ATOM 545 OE1 GLN A 69 33.856 10.111 26.382 1.00 23.56 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
917 ATOM 546 NE2 GLN A 69 33.547 11.563 24.722 1.00 16.75 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
918 ATOM 547 N ASP A 70 33.660 9.531 19.773 1.00 15.39 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
919 ATOM 548 CA ASP A 70 33.254 10.071 18.486 1.00 17.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
920 ATOM 549 C ASP A 70 32.976 9.019 17.419 1.00 18.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
921 ATOM 550 O ASP A 70 32.090 9.204 16.582 1.00 14.46 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
922 ATOM 551 CB ASP A 70 34.256 11.127 17.963 1.00 11.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
923 ATOM 552 CG ASP A 70 34.279 12.393 18.777 1.00 15.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
924 ATOM 553 OD1 ASP A 70 33.414 12.722 19.558 1.00 20.66 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
925 ATOM 554 OD2 ASP A 70 35.346 13.093 18.566 1.00 15.16 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
926 ATOM 555 N VAL A 71 33.751 7.920 17.421 1.00 18.50 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
927 ATOM 556 CA VAL A 71 33.559 6.842 16.433 1.00 19.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
928 ATOM 557 C VAL A 71 32.224 6.183 16.721 1.00 14.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
929 ATOM 558 O VAL A 71 31.362 6.030 15.854 1.00 17.79 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
930 ATOM 559 CB VAL A 71 34.693 5.816 16.417 1.00 16.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
931 ATOM 560 CG1 VAL A 71 34.277 4.599 15.608 1.00 17.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
932 ATOM 561 CG2 VAL A 71 35.963 6.413 15.825 1.00 12.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
933 ATOM 562 N ASP A 72 32.038 5.885 17.991 1.00 14.93 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
934 ATOM 563 CA ASP A 72 30.796 5.316 18.498 1.00 18.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
935 ATOM 564 C ASP A 72 29.565 6.156 18.133 1.00 21.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
936 ATOM 565 O ASP A 72 28.571 5.695 17.570 1.00 19.49 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
937 ATOM 566 CB ASP A 72 30.913 5.172 20.012 1.00 14.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
938 ATOM 567 CG ASP A 72 29.947 4.152 20.527 1.00 38.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
939 ATOM 568 OD1 ASP A 72 29.894 3.090 19.780 1.00 74.99 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
940 ATOM 569 OD2 ASP A 72 29.276 4.307 21.509 1.00 33.41 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
941 ATOM 570 N ALA A 73 29.641 7.425 18.452 1.00 22.32 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
942 ATOM 571 CA ALA A 73 28.584 8.341 18.127 1.00 25.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
943 ATOM 572 C ALA A 73 28.370 8.335 16.622 1.00 27.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
944 ATOM 573 O ALA A 73 27.235 8.395 16.159 1.00 25.78 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
945 ATOM 574 CB ALA A 73 28.968 9.741 18.570 1.00 25.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
946 ATOM 575 N ALA A 74 29.466 8.279 15.840 1.00 19.35 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
947 ATOM 576 CA ALA A 74 29.320 8.267 14.373 1.00 21.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
948 ATOM 577 C ALA A 74 28.511 7.049 13.908 1.00 26.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
949 ATOM 578 O ALA A 74 27.567 7.147 13.138 1.00 17.66 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
950 ATOM 579 CB ALA A 74 30.648 8.345 13.644 1.00 15.18 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
951 ATOM 580 N VAL A 75 28.875 5.879 14.397 1.00 18.52 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
952 ATOM 581 CA VAL A 75 28.157 4.662 14.048 1.00 34.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
953 ATOM 582 C VAL A 75 26.642 4.742 14.399 1.00 29.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
954 ATOM 583 O VAL A 75 25.753 4.466 13.557 1.00 26.22 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
955 ATOM 584 CB VAL A 75 28.842 3.395 14.609 1.00 26.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
956 ATOM 585 CG1 VAL A 75 28.074 2.140 14.153 1.00 23.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
957 ATOM 586 CG2 VAL A 75 30.289 3.328 14.116 1.00 22.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
958 ATOM 587 N ARG A 76 26.365 5.158 15.646 1.00 26.93 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
959 ATOM 588 CA ARG A 76 25.011 5.300 16.159 1.00 31.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
960 ATOM 589 C ARG A 76 24.175 6.325 15.344 1.00 29.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
961 ATOM 590 O ARG A 76 22.994 6.130 15.042 1.00 37.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
962 ATOM 591 CB ARG A 76 25.003 5.395 17.697 1.00 13.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
963 ATOM 592 CG ARG A 76 25.368 4.057 18.370 1.00 34.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
964 ATOM 593 CD ARG A 76 25.426 4.092 19.916 1.00 45.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
965 ATOM 594 NE ARG A 76 26.562 4.843 20.421 1.00 88.90 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
966 ATOM 595 CZ ARG A 76 26.507 6.136 20.730 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
967 ATOM 596 NH1 ARG A 76 25.382 6.837 20.600 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
968 ATOM 597 NH2 ARG A 76 27.603 6.761 21.166 1.00 50.79 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
969 ATOM 598 N GLY A 77 24.813 7.402 14.883 1.00 18.81 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
970 ATOM 599 CA GLY A 77 24.114 8.359 14.038 1.00 25.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
971 ATOM 600 C GLY A 77 23.700 7.699 12.730 1.00 28.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
972 ATOM 601 O GLY A 77 22.611 7.888 12.241 1.00 27.63 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
973 ATOM 602 N ILE A 78 24.592 6.919 12.149 1.00 16.26 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
974 ATOM 603 CA ILE A 78 24.247 6.208 10.952 1.00 30.27 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
975 ATOM 604 C ILE A 78 23.085 5.254 11.256 1.00 24.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
976 ATOM 605 O ILE A 78 22.062 5.220 10.571 1.00 23.09 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
977 ATOM 606 CB ILE A 78 25.441 5.385 10.408 1.00 21.68 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
978 ATOM 607 CG1 ILE A 78 26.455 6.266 9.661 1.00 17.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
979 ATOM 608 CG2 ILE A 78 24.933 4.298 9.454 1.00 22.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
980 ATOM 609 CD1 ILE A 78 27.809 5.544 9.534 1.00 21.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
981 ATOM 610 N LEU A 79 23.220 4.441 12.301 1.00 22.22 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
982 ATOM 611 CA LEU A 79 22.162 3.484 12.575 1.00 21.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
983 ATOM 612 C LEU A 79 20.792 4.068 12.870 1.00 35.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
984 ATOM 613 O LEU A 79 19.785 3.395 12.682 1.00 36.92 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
985 ATOM 614 CB LEU A 79 22.555 2.376 13.548 1.00 17.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
986 ATOM 615 CG LEU A 79 23.788 1.620 13.111 1.00 22.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
987 ATOM 616 CD1 LEU A 79 24.184 0.732 14.271 1.00 19.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
988 ATOM 617 CD2 LEU A 79 23.490 0.783 11.875 1.00 27.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
989 ATOM 618 N ARG A 80 20.764 5.317 13.340 1.00 28.53 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
990 ATOM 619 CA ARG A 80 19.538 6.046 13.698 1.00 24.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
991 ATOM 620 C ARG A 80 18.939 6.796 12.543 1.00 42.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
992 ATOM 621 O ARG A 80 17.824 7.289 12.623 1.00 35.45 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
993 ATOM 622 CB ARG A 80 19.870 7.145 14.687 1.00 37.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
994 ATOM 623 CG ARG A 80 19.987 6.650 16.096 1.00 54.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
995 ATOM 624 CD ARG A 80 19.717 7.757 17.104 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
996 ATOM 625 NE ARG A 80 20.938 8.140 17.785 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
997 ATOM 626 CZ ARG A 80 21.699 9.171 17.425 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
998 ATOM 627 NH1 ARG A 80 21.397 9.975 16.394 1.00 42.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
999 ATOM 628 NH2 ARG A 80 22.801 9.385 18.120 1.00 48.12 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1000 ATOM 629 N ASN A 81 19.730 6.971 11.508 1.00 19.85 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1001 ATOM 630 CA ASN A 81 19.289 7.729 10.380 1.00 17.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1002 ATOM 631 C ASN A 81 18.554 6.892 9.329 1.00 56.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1003 ATOM 632 O ASN A 81 19.086 5.941 8.766 1.00 40.51 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1004 ATOM 633 CB ASN A 81 20.473 8.493 9.816 1.00 21.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1005 ATOM 634 CG ASN A 81 20.025 9.486 8.788 1.00 39.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1006 ATOM 635 OD1 ASN A 81 19.372 9.114 7.815 1.00 41.85 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1007 ATOM 636 ND2 ASN A 81 20.334 10.753 9.015 1.00 33.71 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1008 ATOM 637 N ALA A 82 17.299 7.239 9.068 1.00 27.37 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1009 ATOM 638 CA ALA A 82 16.503 6.468 8.115 1.00 29.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1010 ATOM 639 C ALA A 82 17.049 6.437 6.704 1.00 26.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1011 ATOM 640 O ALA A 82 16.814 5.493 5.975 1.00 35.59 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1012 ATOM 641 CB ALA A 82 15.034 6.840 8.143 1.00 25.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1013 ATOM 642 N LYS A 83 17.777 7.465 6.303 1.00 26.55 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1014 ATOM 643 CA LYS A 83 18.366 7.504 4.970 1.00 31.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1015 ATOM 644 C LYS A 83 19.706 6.788 4.898 1.00 24.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1016 ATOM 645 O LYS A 83 20.104 6.301 3.845 1.00 30.19 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1017 ATOM 646 CB LYS A 83 18.630 8.925 4.509 1.00 42.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1018 ATOM 647 CG LYS A 83 17.483 9.553 3.754 1.00 72.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1019 ATOM 648 CD LYS A 83 16.532 10.265 4.697 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1020 ATOM 649 CE LYS A 83 15.575 11.195 3.968 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1021 ATOM 650 NZ LYS A 83 15.547 10.980 2.507 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1022 ATOM 651 N LEU A 84 20.444 6.781 6.002 1.00 28.42 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1023 ATOM 652 CA LEU A 84 21.778 6.189 6.000 1.00 32.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1024 ATOM 653 C LEU A 84 21.808 4.678 6.305 1.00 15.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1025 ATOM 654 O LEU A 84 22.561 3.919 5.712 1.00 24.82 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1026 ATOM 655 CB LEU A 84 22.736 6.946 6.960 1.00 17.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1027 ATOM 656 CG LEU A 84 22.937 8.420 6.623 1.00 26.26 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1028 ATOM 657 CD1 LEU A 84 23.885 9.039 7.652 1.00 20.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1029 ATOM 658 CD2 LEU A 84 23.552 8.536 5.237 1.00 22.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1030 ATOM 659 N LYS A 85 21.000 4.276 7.273 1.00 18.53 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1031 ATOM 660 CA LYS A 85 20.943 2.915 7.721 1.00 16.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1032 ATOM 661 C LYS A 85 20.847 1.816 6.660 1.00 16.55 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1033 ATOM 662 O LYS A 85 21.587 0.818 6.695 1.00 16.90 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1034 ATOM 663 CB LYS A 85 19.945 2.741 8.841 1.00 22.73 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1035 ATOM 664 CG LYS A 85 20.019 1.315 9.349 1.00 22.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1036 ATOM 665 CD LYS A 85 19.281 1.081 10.646 1.00 26.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1037 ATOM 666 CE LYS A 85 19.231 -0.393 10.967 1.00 28.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1038 ATOM 667 NZ LYS A 85 18.413 -1.099 9.986 1.00 51.85 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1039 ATOM 668 N PRO A 86 19.907 1.954 5.740 1.00 20.80 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1040 ATOM 669 CA PRO A 86 19.709 0.969 4.681 1.00 44.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1041 ATOM 670 C PRO A 86 20.944 0.846 3.802 1.00 21.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1042 ATOM 671 O PRO A 86 21.346 -0.250 3.443 1.00 19.98 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1043 ATOM 672 CB PRO A 86 18.498 1.426 3.856 1.00 30.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1044 ATOM 673 CG PRO A 86 17.882 2.611 4.606 1.00 40.06 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1045 ATOM 674 CD PRO A 86 18.851 2.997 5.724 1.00 23.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1046 ATOM 675 N VAL A 87 21.559 1.984 3.477 1.00 16.40 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1047 ATOM 676 CA VAL A 87 22.779 1.970 2.685 1.00 21.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1048 ATOM 677 C VAL A 87 23.918 1.259 3.429 1.00 15.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1049 ATOM 678 O VAL A 87 24.570 0.348 2.941 1.00 18.50 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1050 ATOM 679 CB VAL A 87 23.218 3.377 2.261 1.00 26.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1051 ATOM 680 CG1 VAL A 87 24.347 3.243 1.235 1.00 17.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1052 ATOM 681 CG2 VAL A 87 22.034 4.168 1.691 1.00 19.39 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1053 ATOM 682 N TYR A 88 24.139 1.675 4.660 1.00 11.72 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1054 ATOM 683 CA TYR A 88 25.151 1.117 5.524 1.00 17.40 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1055 ATOM 684 C TYR A 88 25.037 -0.417 5.685 1.00 27.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1056 ATOM 685 O TYR A 88 26.044 -1.148 5.632 1.00 22.16 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1057 ATOM 686 CB TYR A 88 25.041 1.855 6.891 1.00 13.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1058 ATOM 687 CG TYR A 88 26.129 1.464 7.843 1.00 21.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1059 ATOM 688 CD1 TYR A 88 27.389 2.057 7.778 1.00 17.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1060 ATOM 689 CD2 TYR A 88 25.917 0.475 8.804 1.00 22.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1061 ATOM 690 CE1 TYR A 88 28.408 1.697 8.660 1.00 20.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1062 ATOM 691 CE2 TYR A 88 26.922 0.110 9.700 1.00 43.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1063 ATOM 692 CZ TYR A 88 28.171 0.729 9.638 1.00 23.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1064 ATOM 693 OH TYR A 88 29.176 0.343 10.506 1.00 27.73 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1065 ATOM 694 N ASP A 89 23.782 -0.882 5.893 1.00 21.82 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1066 ATOM 695 CA ASP A 89 23.466 -2.311 6.083 1.00 13.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1067 ATOM 696 C ASP A 89 23.774 -3.073 4.843 1.00 18.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1068 ATOM 697 O ASP A 89 24.144 -4.220 4.905 1.00 17.43 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1069 ATOM 698 CB ASP A 89 21.984 -2.545 6.424 1.00 25.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1070 ATOM 699 CG ASP A 89 21.714 -2.291 7.869 1.00 24.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1071 ATOM 700 OD1 ASP A 89 22.790 -2.075 8.562 1.00 23.23 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1072 ATOM 701 OD2 ASP A 89 20.615 -2.281 8.329 1.00 28.70 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1073 ATOM 702 N SER A 90 23.623 -2.418 3.708 1.00 13.20 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1074 ATOM 703 CA SER A 90 23.911 -3.101 2.471 1.00 12.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1075 ATOM 704 C SER A 90 25.388 -3.315 2.208 1.00 15.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1076 ATOM 705 O SER A 90 25.780 -4.113 1.337 1.00 16.42 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1077 ATOM 706 CB SER A 90 23.274 -2.399 1.263 1.00 18.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1078 ATOM 707 OG SER A 90 24.033 -1.257 0.848 1.00 16.30 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1079 ATOM 708 N LEU A 91 26.234 -2.558 2.896 1.00 11.51 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1080 ATOM 709 CA LEU A 91 27.684 -2.597 2.589 1.00 14.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1081 ATOM 710 C LEU A 91 28.479 -3.692 3.236 1.00 21.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1082 ATOM 711 O LEU A 91 28.106 -4.174 4.306 1.00 16.67 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1083 ATOM 712 CB LEU A 91 28.358 -1.282 3.046 1.00 10.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1084 ATOM 713 CG LEU A 91 27.800 -0.013 2.373 1.00 18.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1085 ATOM 714 CD1 LEU A 91 28.394 1.233 3.034 1.00 20.68 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1086 ATOM 715 CD2 LEU A 91 28.225 -0.036 0.901 1.00 15.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1087 ATOM 716 N ASP A 92 29.638 -4.001 2.637 1.00 14.50 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1088 ATOM 717 CA ASP A 92 30.570 -4.929 3.263 1.00 9.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1089 ATOM 718 C ASP A 92 31.375 -4.180 4.365 1.00 20.30 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1090 ATOM 719 O ASP A 92 31.286 -2.973 4.519 1.00 14.77 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1091 ATOM 720 CB ASP A 92 31.570 -5.521 2.292 1.00 12.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1092 ATOM 721 CG ASP A 92 32.340 -4.436 1.614 1.00 25.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1093 ATOM 722 OD1 ASP A 92 31.669 -3.914 0.623 1.00 17.16 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1094 ATOM 723 OD2 ASP A 92 33.435 -4.058 1.970 1.00 15.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1095 ATOM 724 N ALA A 93 32.181 -4.898 5.124 1.00 16.69 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1096 ATOM 725 CA ALA A 93 32.938 -4.332 6.233 1.00 16.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1097 ATOM 726 C ALA A 93 33.950 -3.221 5.930 1.00 20.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1098 ATOM 727 O ALA A 93 34.065 -2.294 6.709 1.00 19.11 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1099 ATOM 728 CB ALA A 93 33.398 -5.361 7.267 1.00 25.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1100 ATOM 729 N VAL A 94 34.677 -3.316 4.827 1.00 14.58 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1101 ATOM 730 CA VAL A 94 35.621 -2.285 4.450 1.00 20.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1102 ATOM 731 C VAL A 94 34.865 -0.986 4.084 1.00 16.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1103 ATOM 732 O VAL A 94 35.141 0.098 4.592 1.00 18.04 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1104 ATOM 733 CB VAL A 94 36.591 -2.786 3.360 1.00 20.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1105 ATOM 734 CG1 VAL A 94 37.584 -1.694 2.890 1.00 12.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1106 ATOM 735 CG2 VAL A 94 37.391 -3.957 3.955 1.00 17.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1107 ATOM 736 N ARG A 95 33.877 -1.112 3.205 1.00 16.13 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1108 ATOM 737 CA ARG A 95 33.057 0.003 2.766 1.00 18.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1109 ATOM 738 C ARG A 95 32.322 0.629 3.917 1.00 16.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1110 ATOM 739 O ARG A 95 32.102 1.840 3.947 1.00 19.31 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1111 ATOM 740 CB ARG A 95 32.123 -0.360 1.611 1.00 10.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1112 ATOM 741 CG ARG A 95 32.908 -0.706 0.358 1.00 9.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1113 ATOM 742 CD ARG A 95 31.974 -1.064 -0.781 1.00 13.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1114 ATOM 743 NE ARG A 95 32.654 -1.163 -2.056 1.00 15.21 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1115 ATOM 744 CZ ARG A 95 33.124 -2.305 -2.552 1.00 15.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1116 ATOM 745 NH1 ARG A 95 33.001 -3.467 -1.884 1.00 17.38 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1117 ATOM 746 NH2 ARG A 95 33.754 -2.273 -3.733 1.00 16.81 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1118 ATOM 747 N ARG A 96 31.948 -0.180 4.899 1.00 15.75 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1119 ATOM 748 CA ARG A 96 31.299 0.408 6.066 1.00 17.82 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1120 ATOM 749 C ARG A 96 32.250 1.391 6.778 1.00 17.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1121 ATOM 750 O ARG A 96 31.824 2.415 7.297 1.00 16.30 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1122 ATOM 751 CB ARG A 96 30.787 -0.623 7.049 1.00 15.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1123 ATOM 752 CG ARG A 96 29.587 -1.370 6.531 1.00 15.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1124 ATOM 753 CD ARG A 96 29.034 -2.348 7.568 1.00 19.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1125 ATOM 754 NE ARG A 96 27.897 -3.095 7.023 1.00 24.12 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1126 ATOM 755 CZ ARG A 96 27.236 -4.058 7.634 1.00 36.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1127 ATOM 756 NH1 ARG A 96 27.551 -4.415 8.855 1.00 27.73 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1128 ATOM 757 NH2 ARG A 96 26.223 -4.669 7.000 1.00 19.51 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1129 ATOM 758 N ALA A 97 33.545 1.081 6.794 1.00 12.09 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1130 ATOM 759 CA ALA A 97 34.514 1.963 7.426 1.00 12.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1131 ATOM 760 C ALA A 97 34.568 3.295 6.640 1.00 10.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1132 ATOM 761 O ALA A 97 34.682 4.376 7.229 1.00 16.72 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1133 ATOM 762 CB ALA A 97 35.891 1.282 7.469 1.00 9.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1134 ATOM 763 N ALA A 98 34.470 3.211 5.299 1.00 12.70 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1135 ATOM 764 CA ALA A 98 34.469 4.430 4.496 1.00 11.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1136 ATOM 765 C ALA A 98 33.248 5.294 4.842 1.00 19.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1137 ATOM 766 O ALA A 98 33.316 6.531 4.864 1.00 16.39 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1138 ATOM 767 CB ALA A 98 34.543 4.153 2.990 1.00 10.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1139 ATOM 768 N ALA A 99 32.116 4.653 5.086 1.00 10.22 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1140 ATOM 769 CA ALA A 99 30.915 5.386 5.412 1.00 10.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1141 ATOM 770 C ALA A 99 31.067 6.087 6.733 1.00 11.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1142 ATOM 771 O ALA A 99 30.606 7.206 6.887 1.00 16.32 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1143 ATOM 772 CB ALA A 99 29.678 4.452 5.471 1.00 13.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1144 ATOM 773 N ILE A 100 31.671 5.403 7.686 1.00 12.58 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1145 ATOM 774 CA ILE A 100 31.858 5.948 9.025 1.00 10.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1146 ATOM 775 C ILE A 100 32.767 7.177 8.951 1.00 19.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1147 ATOM 776 O ILE A 100 32.554 8.215 9.608 1.00 18.59 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1148 ATOM 777 CB ILE A 100 32.380 4.905 10.032 1.00 15.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1149 ATOM 778 CG1 ILE A 100 31.350 3.779 10.288 1.00 10.92 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1150 ATOM 779 CG2 ILE A 100 32.754 5.593 11.335 1.00 13.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1151 ATOM 780 CD1 ILE A 100 31.886 2.561 11.067 1.00 11.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1152 ATOM 781 N ASN A 101 33.778 7.051 8.100 1.00 14.84 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1153 ATOM 782 CA ASN A 101 34.745 8.113 7.898 1.00 11.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1154 ATOM 783 C ASN A 101 34.044 9.385 7.418 1.00 19.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1155 ATOM 784 O ASN A 101 34.222 10.458 7.973 1.00 18.73 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1156 ATOM 785 CB ASN A 101 35.823 7.605 6.927 1.00 10.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1157 ATOM 786 CG ASN A 101 37.050 8.474 6.866 1.00 15.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1158 ATOM 787 OD1 ASN A 101 36.928 9.678 6.759 1.00 18.55 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1159 ATOM 788 ND2 ASN A 101 38.217 7.871 6.845 1.00 12.12 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1160 ATOM 789 N MET A 102 33.207 9.269 6.408 1.00 11.67 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1161 ATOM 790 CA MET A 102 32.482 10.437 5.912 1.00 15.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1162 ATOM 791 C MET A 102 31.652 11.107 7.007 1.00 16.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1163 ATOM 792 O MET A 102 31.627 12.325 7.138 1.00 15.82 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1164 ATOM 793 CB MET A 102 31.493 10.044 4.783 1.00 20.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1165 ATOM 794 CG MET A 102 32.186 9.795 3.473 1.00 21.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1166 ATOM 795 SD MET A 102 31.029 9.536 2.114 1.00 24.03 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1167 ATOM 796 CE MET A 102 30.616 11.266 1.757 1.00 20.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1168 ATOM 797 N VAL A 103 30.911 10.279 7.770 1.00 15.38 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1169 ATOM 798 CA VAL A 103 30.050 10.805 8.834 1.00 20.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1170 ATOM 799 C VAL A 103 30.876 11.490 9.905 1.00 25.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1171 ATOM 800 O VAL A 103 30.508 12.554 10.361 1.00 27.04 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1172 ATOM 801 CB VAL A 103 29.070 9.786 9.420 1.00 14.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1173 ATOM 802 CG1 VAL A 103 28.325 10.369 10.616 1.00 25.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1174 ATOM 803 CG2 VAL A 103 28.034 9.392 8.379 1.00 20.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1175 ATOM 804 N PHE A 104 32.005 10.889 10.293 1.00 19.14 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1176 ATOM 805 CA PHE A 104 32.872 11.476 11.299 1.00 13.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1177 ATOM 806 C PHE A 104 33.356 12.874 10.889 1.00 26.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1178 ATOM 807 O PHE A 104 33.492 13.782 11.692 1.00 22.02 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1179 ATOM 808 CB PHE A 104 34.093 10.567 11.468 1.00 18.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1180 ATOM 809 CG PHE A 104 35.038 10.997 12.563 1.00 14.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1181 ATOM 810 CD1 PHE A 104 36.003 11.977 12.336 1.00 14.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1182 ATOM 811 CD2 PHE A 104 34.999 10.364 13.810 1.00 14.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1183 ATOM 812 CE1 PHE A 104 36.871 12.333 13.368 1.00 17.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1184 ATOM 813 CE2 PHE A 104 35.882 10.692 14.841 1.00 16.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1185 ATOM 814 CZ PHE A 104 36.822 11.695 14.609 1.00 18.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1186 ATOM 815 N GLN A 105 33.650 13.023 9.610 1.00 19.39 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1187 ATOM 816 CA GLN A 105 34.162 14.256 9.042 1.00 23.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1188 ATOM 817 C GLN A 105 33.095 15.272 8.780 1.00 23.01 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1189 ATOM 818 O GLN A 105 33.281 16.440 9.018 1.00 20.36 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1190 ATOM 819 CB GLN A 105 34.935 14.033 7.691 1.00 14.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1191 ATOM 820 CG GLN A 105 35.501 15.346 7.065 1.00 18.90 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1192 ATOM 821 CD GLN A 105 36.141 15.205 5.687 1.00 21.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1193 ATOM 822 OE1 GLN A 105 36.077 14.150 5.074 1.00 24.98 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1194 ATOM 823 NE2 GLN A 105 36.790 16.266 5.191 1.00 20.42 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1195 ATOM 824 N MET A 106 32.010 14.863 8.196 1.00 20.44 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1196 ATOM 825 CA MET A 106 31.069 15.847 7.804 1.00 15.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1197 ATOM 826 C MET A 106 29.721 15.865 8.437 1.00 27.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1198 ATOM 827 O MET A 106 28.908 16.705 8.099 1.00 25.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1199 ATOM 828 CB MET A 106 31.086 16.037 6.273 1.00 19.27 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1200 ATOM 829 CG MET A 106 30.357 15.016 5.452 1.00 27.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1201 ATOM 830 SD MET A 106 30.843 15.240 3.731 1.00 46.54 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1202 ATOM 831 CE MET A 106 32.340 14.236 3.744 1.00 50.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1203 ATOM 832 N GLY A 107 29.518 14.974 9.370 1.00 20.92 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1204 ATOM 833 CA GLY A 107 28.281 14.924 10.075 1.00 19.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1205 ATOM 834 C GLY A 107 27.226 14.213 9.275 1.00 15.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1206 ATOM 835 O GLY A 107 27.304 14.071 8.054 1.00 26.01 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1207 ATOM 836 N GLU A 108 26.228 13.791 10.004 1.00 26.59 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1208 ATOM 837 CA GLU A 108 25.158 13.030 9.436 1.00 35.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1209 ATOM 838 C GLU A 108 24.253 13.778 8.467 1.00 39.35 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1210 ATOM 839 O GLU A 108 23.744 13.200 7.509 1.00 32.42 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1211 ATOM 840 CB GLU A 108 24.468 12.224 10.535 1.00 39.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1212 ATOM 841 CG GLU A 108 23.001 12.550 10.767 1.00 61.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1213 ATOM 842 CD GLU A 108 22.374 11.330 11.347 1.00 96.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1214 ATOM 843 OE1 GLU A 108 23.242 10.349 11.437 1.00100.00 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1215 ATOM 844 OE2 GLU A 108 21.201 11.247 11.660 1.00 84.48 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1216 ATOM 845 N THR A 109 24.075 15.072 8.692 1.00 25.62 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1217 ATOM 846 CA THR A 109 23.259 15.859 7.805 1.00 45.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1218 ATOM 847 C THR A 109 23.964 15.971 6.476 1.00 48.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1219 ATOM 848 O THR A 109 23.389 15.638 5.431 1.00 61.56 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1220 ATOM 849 CB THR A 109 22.894 17.229 8.412 1.00 51.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1221 ATOM 850 OG1 THR A 109 22.213 16.993 9.617 1.00 43.74 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1222 ATOM 851 CG2 THR A 109 21.995 18.016 7.466 1.00 61.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1223 ATOM 852 N GLY A 110 25.238 16.385 6.561 1.00 33.86 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1224 ATOM 853 CA GLY A 110 26.111 16.517 5.408 1.00 55.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1225 ATOM 854 C GLY A 110 25.994 15.316 4.475 1.00 36.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1226 ATOM 855 O GLY A 110 25.535 15.453 3.347 1.00 43.16 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1227 ATOM 856 N VAL A 111 26.355 14.128 4.981 1.00 40.30 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1228 ATOM 857 CA VAL A 111 26.317 12.895 4.191 1.00 28.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1229 ATOM 858 C VAL A 111 24.957 12.636 3.600 1.00 46.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1230 ATOM 859 O VAL A 111 24.826 12.299 2.414 1.00 25.02 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1231 ATOM 860 CB VAL A 111 26.731 11.704 5.034 1.00 25.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1232 ATOM 861 CG1 VAL A 111 26.796 10.466 4.155 1.00 36.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1233 ATOM 862 CG2 VAL A 111 28.130 11.955 5.548 1.00 28.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1234 ATOM 863 N ALA A 112 23.976 12.774 4.495 1.00 42.64 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1235 ATOM 864 CA ALA A 112 22.595 12.570 4.172 1.00 47.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1236 ATOM 865 C ALA A 112 22.202 13.334 2.904 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1237 ATOM 866 O ALA A 112 21.379 12.863 2.115 1.00 55.37 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1238 ATOM 867 CB ALA A 112 21.672 12.729 5.385 1.00 49.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1239 ATOM 868 N GLY A 113 22.837 14.484 2.657 1.00 29.32 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1240 ATOM 869 CA GLY A 113 22.543 15.217 1.431 1.00 53.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1241 ATOM 870 C GLY A 113 23.127 14.606 0.127 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1242 ATOM 871 O GLY A 113 22.789 15.057 -0.964 1.00 55.73 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1243 ATOM 872 N PHE A 114 23.995 13.596 0.218 1.00 38.08 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1244 ATOM 873 CA PHE A 114 24.592 12.938 -0.946 1.00 20.64 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1245 ATOM 874 C PHE A 114 23.669 11.855 -1.495 1.00 29.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1246 ATOM 875 O PHE A 114 24.096 10.752 -1.801 1.00 24.83 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1247 ATOM 876 CB PHE A 114 25.879 12.223 -0.533 1.00 18.14 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1248 ATOM 877 CG PHE A 114 27.088 13.123 -0.412 1.00 31.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1249 ATOM 878 CD1 PHE A 114 27.080 14.206 0.467 1.00 43.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1250 ATOM 879 CD2 PHE A 114 28.224 12.890 -1.190 1.00 38.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1251 ATOM 880 CE1 PHE A 114 28.186 15.047 0.571 1.00 29.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1252 ATOM 881 CE2 PHE A 114 29.334 13.734 -1.112 1.00 28.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1253 ATOM 882 CZ PHE A 114 29.315 14.801 -0.209 1.00 25.59 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1254 ATOM 883 N THR A 115 22.407 12.167 -1.570 1.00 19.39 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1255 ATOM 884 CA THR A 115 21.353 11.294 -2.035 1.00 17.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1256 ATOM 885 C THR A 115 21.696 10.412 -3.188 1.00 29.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1257 ATOM 886 O THR A 115 21.531 9.202 -3.096 1.00 21.55 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1258 ATOM 887 CB THR A 115 20.169 12.161 -2.460 1.00 31.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1259 ATOM 888 OG1 THR A 115 19.826 12.996 -1.386 1.00 43.21 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1260 ATOM 889 CG2 THR A 115 19.009 11.268 -2.853 1.00 29.68 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1261 ATOM 890 N ASN A 116 22.102 11.020 -4.293 1.00 20.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1262 ATOM 891 CA ASN A 116 22.476 10.251 -5.512 1.00 23.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1263 ATOM 892 C ASN A 116 23.616 9.208 -5.351 1.00 20.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1264 ATOM 893 O ASN A 116 23.521 8.072 -5.847 1.00 17.39 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1265 ATOM 894 CB ASN A 116 22.644 11.153 -6.773 1.00 21.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1266 ATOM 895 CG ASN A 116 21.467 12.130 -6.953 1.00 28.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1267 ATOM 896 OD1 ASN A 116 20.297 11.803 -6.700 1.00 49.06 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1268 ATOM 897 ND2 ASN A 116 21.766 13.348 -7.368 1.00 22.96 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1269 ATOM 898 N SER A 117 24.709 9.598 -4.676 1.00 18.36 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1270 ATOM 899 CA SER A 117 25.830 8.698 -4.422 1.00 15.59 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1271 ATOM 900 C SER A 117 25.350 7.542 -3.527 1.00 17.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1272 ATOM 901 O SER A 117 25.763 6.411 -3.695 1.00 19.29 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1273 ATOM 902 CB SER A 117 26.972 9.400 -3.670 1.00 15.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1274 ATOM 903 OG SER A 117 27.352 10.631 -4.265 1.00 23.33 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1275 ATOM 904 N LEU A 118 24.501 7.881 -2.536 1.00 21.74 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1276 ATOM 905 CA LEU A 118 23.950 6.915 -1.595 1.00 23.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1277 ATOM 906 C LEU A 118 23.189 5.836 -2.340 1.00 20.18 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1278 ATOM 907 O LEU A 118 23.337 4.646 -2.087 1.00 19.59 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1279 ATOM 908 CB LEU A 118 23.046 7.532 -0.493 1.00 21.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1280 ATOM 909 CG LEU A 118 23.766 8.446 0.527 1.00 40.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1281 ATOM 910 CD1 LEU A 118 22.774 9.060 1.516 1.00 27.80 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1282 ATOM 911 CD2 LEU A 118 24.869 7.712 1.291 1.00 17.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1283 ATOM 912 N ARG A 119 22.376 6.263 -3.264 1.00 17.40 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1284 ATOM 913 CA ARG A 119 21.604 5.357 -4.096 1.00 27.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1285 ATOM 914 C ARG A 119 22.542 4.481 -4.900 1.00 28.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1286 ATOM 915 O ARG A 119 22.323 3.274 -5.031 1.00 19.46 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1287 ATOM 916 CB ARG A 119 20.681 6.129 -5.026 1.00 20.78 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1288 ATOM 917 CG ARG A 119 19.707 5.246 -5.799 1.00 41.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1289 ATOM 918 CD ARG A 119 18.817 6.070 -6.730 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1290 ATOM 919 NE ARG A 119 19.473 6.359 -8.004 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1291 ATOM 920 CZ ARG A 119 20.127 7.491 -8.287 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1292 ATOM 921 NH1 ARG A 119 20.232 8.498 -7.409 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1293 ATOM 922 NH2 ARG A 119 20.693 7.606 -9.489 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1294 ATOM 923 N MET A 120 23.613 5.083 -5.427 1.00 19.07 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1295 ATOM 924 CA MET A 120 24.554 4.280 -6.192 1.00 21.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1296 ATOM 925 C MET A 120 25.305 3.257 -5.338 1.00 12.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1297 ATOM 926 O MET A 120 25.561 2.120 -5.725 1.00 19.29 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1298 ATOM 927 CB MET A 120 25.509 5.083 -7.086 1.00 21.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1299 ATOM 928 CG MET A 120 24.833 5.864 -8.195 1.00 24.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1300 ATOM 929 SD MET A 120 25.999 7.103 -8.814 1.00 28.61 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1301 ATOM 930 CE MET A 120 24.889 8.421 -9.326 1.00 23.36 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1302 ATOM 931 N LEU A 121 25.676 3.649 -4.150 1.00 19.43 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1303 ATOM 932 CA LEU A 121 26.370 2.717 -3.311 1.00 23.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1304 ATOM 933 C LEU A 121 25.443 1.514 -2.997 1.00 16.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1305 ATOM 934 O LEU A 121 25.838 0.354 -3.072 1.00 18.39 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1306 ATOM 935 CB LEU A 121 26.876 3.420 -2.033 1.00 18.77 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1307 ATOM 936 CG LEU A 121 28.054 4.403 -2.265 1.00 18.13 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1308 ATOM 937 CD1 LEU A 121 28.221 5.245 -0.994 1.00 15.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1309 ATOM 938 CD2 LEU A 121 29.352 3.634 -2.542 1.00 16.85 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1310 ATOM 939 N GLN A 122 24.188 1.810 -2.636 1.00 15.66 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1311 ATOM 940 CA GLN A 122 23.240 0.771 -2.288 1.00 24.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1312 ATOM 941 C GLN A 122 23.049 -0.244 -3.417 1.00 32.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1313 ATOM 942 O GLN A 122 22.833 -1.445 -3.192 1.00 24.38 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1314 ATOM 943 CB GLN A 122 21.906 1.341 -1.760 1.00 14.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1315 ATOM 944 CG GLN A 122 20.846 0.220 -1.553 1.00 22.59 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1316 ATOM 945 CD GLN A 122 19.769 0.572 -0.558 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1317 ATOM 946 OE1 GLN A 122 19.436 1.755 -0.384 1.00 44.87 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1318 ATOM 947 NE2 GLN A 122 19.211 -0.458 0.081 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1319 ATOM 948 N GLN A 123 23.147 0.259 -4.646 1.00 19.90 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1320 ATOM 949 CA GLN A 123 22.983 -0.575 -5.814 1.00 17.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1321 ATOM 950 C GLN A 123 24.268 -1.218 -6.171 1.00 27.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1322 ATOM 951 O GLN A 123 24.272 -1.958 -7.136 1.00 25.77 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1323 ATOM 952 CB GLN A 123 22.542 0.219 -7.041 1.00 17.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1324 ATOM 953 CG GLN A 123 21.159 0.868 -6.874 1.00 23.32 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1325 ATOM 954 CD GLN A 123 20.730 1.622 -8.137 1.00 42.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1326 ATOM 955 OE1 GLN A 123 20.420 1.021 -9.169 1.00 61.53 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1327 ATOM 956 NE2 GLN A 123 20.703 2.946 -8.063 1.00 64.54 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1328 ATOM 957 N LYS A 124 25.351 -0.897 -5.432 1.00 14.68 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1329 ATOM 958 CA LYS A 124 26.660 -1.469 -5.726 1.00 12.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1330 ATOM 959 C LYS A 124 27.241 -1.116 -7.074 1.00 13.52 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1331 ATOM 960 O LYS A 124 28.011 -1.893 -7.658 1.00 17.57 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1332 ATOM 961 CB LYS A 124 26.793 -2.991 -5.505 1.00 28.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1333 ATOM 962 CG LYS A 124 26.125 -3.456 -4.224 1.00 21.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1334 ATOM 963 CD LYS A 124 26.652 -4.752 -3.624 1.00 17.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1335 ATOM 964 CE LYS A 124 26.038 -4.986 -2.257 1.00 14.53 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1336 ATOM 965 NZ LYS A 124 26.773 -4.327 -1.167 1.00 27.71 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1337 ATOM 966 N ARG A 125 26.943 0.081 -7.531 1.00 17.33 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1338 ATOM 967 CA ARG A 125 27.512 0.600 -8.762 1.00 19.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1339 ATOM 968 C ARG A 125 28.750 1.424 -8.358 1.00 26.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1340 ATOM 969 O ARG A 125 28.710 2.658 -8.241 1.00 15.71 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1341 ATOM 970 CB ARG A 125 26.449 1.454 -9.439 1.00 21.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1342 ATOM 971 CG ARG A 125 25.361 0.581 -10.051 1.00 27.26 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1343 ATOM 972 CD ARG A 125 24.078 1.375 -10.264 1.00 31.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1344 ATOM 973 NE ARG A 125 23.407 1.090 -11.528 1.00 70.52 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1345 ATOM 974 CZ ARG A 125 22.439 0.167 -11.661 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1346 ATOM 975 NH1 ARG A 125 22.016 -0.598 -10.641 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1347 ATOM 976 NH2 ARG A 125 21.890 -0.010 -12.864 1.00 74.44 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1348 ATOM 977 N TRP A 126 29.852 0.711 -8.086 1.00 19.37 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1349 ATOM 978 CA TRP A 126 31.070 1.321 -7.554 1.00 28.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1350 ATOM 979 C TRP A 126 31.767 2.407 -8.324 1.00 26.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1351 ATOM 980 O TRP A 126 32.077 3.466 -7.773 1.00 22.81 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1352 ATOM 981 CB TRP A 126 32.050 0.366 -6.882 1.00 17.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1353 ATOM 982 CG TRP A 126 31.398 -0.796 -6.176 1.00 16.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1354 ATOM 983 CD1 TRP A 126 31.539 -2.093 -6.534 1.00 18.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1355 ATOM 984 CD2 TRP A 126 30.602 -0.781 -4.973 1.00 19.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1356 ATOM 985 NE1 TRP A 126 30.893 -2.885 -5.648 1.00 17.31 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1357 ATOM 986 CE2 TRP A 126 30.328 -2.121 -4.664 1.00 16.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1358 ATOM 987 CE3 TRP A 126 30.151 0.221 -4.102 1.00 14.67 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1359 ATOM 988 CZ2 TRP A 126 29.629 -2.483 -3.500 1.00 14.21 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1360 ATOM 989 CZ3 TRP A 126 29.398 -0.130 -2.993 1.00 20.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1361 ATOM 990 CH2 TRP A 126 29.133 -1.475 -2.691 1.00 18.60 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1362 ATOM 991 N ASP A 127 32.068 2.131 -9.569 1.00 17.71 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1363 ATOM 992 CA ASP A 127 32.711 3.148 -10.355 1.00 15.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1364 ATOM 993 C ASP A 127 31.799 4.344 -10.474 1.00 15.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1365 ATOM 994 O ASP A 127 32.250 5.452 -10.351 1.00 22.85 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1366 ATOM 995 CB ASP A 127 33.036 2.630 -11.745 1.00 21.99 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1367 ATOM 996 CG ASP A 127 34.251 1.734 -11.723 1.00 25.66 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1368 ATOM 997 OD1 ASP A 127 34.623 1.136 -10.738 1.00 40.65 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1369 ATOM 998 OD2 ASP A 127 34.879 1.675 -12.862 1.00 60.09 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1370 ATOM 999 N GLU A 128 30.496 4.127 -10.669 1.00 15.66 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1371 ATOM 1000 CA GLU A 128 29.579 5.251 -10.776 1.00 19.13 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1372 ATOM 1001 C GLU A 128 29.504 6.119 -9.550 1.00 31.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1373 ATOM 1002 O GLU A 128 29.472 7.344 -9.646 1.00 21.94 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1374 ATOM 1003 CB GLU A 128 28.195 4.816 -11.241 1.00 29.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1375 ATOM 1004 CG GLU A 128 28.390 4.106 -12.581 1.00 27.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1376 ATOM 1005 CD GLU A 128 27.194 3.379 -13.086 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1377 ATOM 1006 OE1 GLU A 128 26.134 4.145 -13.137 1.00 66.11 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1378 ATOM 1007 OE2 GLU A 128 27.219 2.207 -13.431 1.00100.00 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1379 ATOM 1008 N ALA A 129 29.451 5.460 -8.397 1.00 18.29 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1380 ATOM 1009 CA ALA A 129 29.389 6.174 -7.135 1.00 23.28 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1381 ATOM 1010 C ALA A 129 30.648 7.013 -6.932 1.00 15.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1382 ATOM 1011 O ALA A 129 30.551 8.145 -6.463 1.00 20.07 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1383 ATOM 1012 CB ALA A 129 29.191 5.197 -5.979 1.00 16.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1384 ATOM 1013 N ALA A 130 31.799 6.433 -7.302 1.00 16.31 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1385 ATOM 1014 CA ALA A 130 33.109 7.081 -7.163 1.00 16.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1386 ATOM 1015 C ALA A 130 33.146 8.399 -7.936 1.00 31.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1387 ATOM 1016 O ALA A 130 33.599 9.419 -7.421 1.00 23.14 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1388 ATOM 1017 CB ALA A 130 34.246 6.144 -7.591 1.00 15.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1389 ATOM 1018 N VAL A 131 32.631 8.362 -9.170 1.00 19.10 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1390 ATOM 1019 CA VAL A 131 32.568 9.535 -10.023 1.00 17.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1391 ATOM 1020 C VAL A 131 31.632 10.591 -9.396 1.00 29.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1392 ATOM 1021 O VAL A 131 32.022 11.734 -9.252 1.00 31.60 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1393 ATOM 1022 CB VAL A 131 32.210 9.167 -11.499 1.00 15.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1394 ATOM 1023 CG1 VAL A 131 31.808 10.378 -12.316 1.00 20.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1395 ATOM 1024 CG2 VAL A 131 33.413 8.500 -12.143 1.00 21.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1396 ATOM 1025 N ASN A 132 30.418 10.188 -8.972 1.00 17.76 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1397 ATOM 1026 CA ASN A 132 29.448 11.090 -8.354 1.00 16.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1398 ATOM 1027 C ASN A 132 29.944 11.689 -7.019 1.00 18.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1399 ATOM 1028 O ASN A 132 29.734 12.831 -6.665 1.00 20.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1400 ATOM 1029 CB ASN A 132 28.075 10.413 -8.174 1.00 16.54 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1401 ATOM 1030 CG ASN A 132 26.994 11.363 -7.664 1.00 22.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1402 ATOM 1031 OD1 ASN A 132 26.778 11.580 -6.440 1.00 21.94 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1403 ATOM 1032 ND2 ASN A 132 26.356 12.008 -8.622 1.00 22.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1404 ATOM 1033 N LEU A 133 30.611 10.894 -6.231 1.00 13.61 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1405 ATOM 1034 CA LEU A 133 31.109 11.391 -4.955 1.00 24.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1406 ATOM 1035 C LEU A 133 32.102 12.558 -5.141 1.00 20.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1407 ATOM 1036 O LEU A 133 32.170 13.440 -4.293 1.00 25.53 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1408 ATOM 1037 CB LEU A 133 31.802 10.260 -4.091 1.00 18.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1409 ATOM 1038 CG LEU A 133 30.867 9.261 -3.345 1.00 17.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1410 ATOM 1039 CD1 LEU A 133 31.656 8.042 -2.823 1.00 17.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1411 ATOM 1040 CD2 LEU A 133 30.146 9.942 -2.181 1.00 20.27 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1412 ATOM 1041 N ALA A 134 32.898 12.510 -6.219 1.00 18.47 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1413 ATOM 1042 CA ALA A 134 33.940 13.506 -6.525 1.00 23.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1414 ATOM 1043 C ALA A 134 33.390 14.902 -6.886 1.00 15.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1415 ATOM 1044 O ALA A 134 34.065 15.949 -6.779 1.00 17.46 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1416 ATOM 1045 CB ALA A 134 34.949 12.926 -7.535 1.00 17.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1417 ATOM 1046 N LYS A 135 32.132 14.933 -7.301 1.00 13.56 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1418 ATOM 1047 CA LYS A 135 31.445 16.186 -7.670 1.00 18.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1419 ATOM 1048 C LYS A 135 30.870 16.812 -6.450 1.00 19.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1420 ATOM 1049 O LYS A 135 29.663 16.859 -6.296 1.00 22.29 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1421 ATOM 1050 CB LYS A 135 30.271 15.908 -8.591 1.00 17.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1422 ATOM 1051 CG LYS A 135 30.801 15.218 -9.819 1.00 27.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1423 ATOM 1052 CD LYS A 135 29.820 15.211 -10.945 1.00 32.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1424 ATOM 1053 CE LYS A 135 30.435 14.584 -12.171 1.00 80.06 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1425 ATOM 1054 NZ LYS A 135 29.509 13.693 -12.873 1.00 68.83 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1426 ATOM 1055 N SER A 136 31.754 17.257 -5.586 1.00 14.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1427 ATOM 1056 CA SER A 136 31.329 17.779 -4.323 1.00 18.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1428 ATOM 1057 C SER A 136 32.320 18.800 -3.753 1.00 9.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1429 ATOM 1058 O SER A 136 33.536 18.787 -4.028 1.00 20.41 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1430 ATOM 1059 CB SER A 136 31.168 16.588 -3.341 1.00 9.05 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1431 ATOM 1060 OG SER A 136 32.431 15.899 -3.177 1.00 15.05 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1432 ATOM 1061 N ARG A 137 31.773 19.670 -2.927 1.00 12.96 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1433 ATOM 1062 CA ARG A 137 32.596 20.620 -2.223 1.00 21.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1434 ATOM 1063 C ARG A 137 33.671 19.854 -1.431 1.00 18.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1435 ATOM 1064 O ARG A 137 34.837 20.228 -1.399 1.00 21.10 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1436 ATOM 1065 CB ARG A 137 31.735 21.464 -1.262 1.00 24.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1437 ATOM 1066 CG ARG A 137 32.643 22.248 -0.307 1.00 24.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1438 ATOM 1067 CD ARG A 137 31.966 23.346 0.500 1.00 24.09 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1439 ATOM 1068 NE ARG A 137 32.910 24.255 1.187 1.00 32.98 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1440 ATOM 1069 CZ ARG A 137 33.679 23.995 2.271 1.00 44.78 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1441 ATOM 1070 NH1 ARG A 137 33.713 22.814 2.877 1.00 40.48 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1442 ATOM 1071 NH2 ARG A 137 34.460 24.961 2.747 1.00 51.06 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1443 ATOM 1072 N TRP A 138 33.226 18.736 -0.780 1.00 20.48 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1444 ATOM 1073 CA TRP A 138 34.050 17.821 0.043 1.00 17.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1445 ATOM 1074 C TRP A 138 35.341 17.427 -0.665 1.00 13.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1446 ATOM 1075 O TRP A 138 36.447 17.574 -0.161 1.00 16.77 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1447 ATOM 1076 CB TRP A 138 33.223 16.538 0.326 1.00 24.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1448 ATOM 1077 CG TRP A 138 33.986 15.405 0.956 1.00 21.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1449 ATOM 1078 CD1 TRP A 138 34.690 15.447 2.120 1.00 16.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1450 ATOM 1079 CD2 TRP A 138 34.007 14.038 0.518 1.00 19.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1451 ATOM 1080 NE1 TRP A 138 35.211 14.192 2.407 1.00 19.08 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1452 ATOM 1081 CE2 TRP A 138 34.788 13.309 1.443 1.00 16.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1453 ATOM 1082 CE3 TRP A 138 33.449 13.395 -0.578 1.00 13.25 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1454 ATOM 1083 CZ2 TRP A 138 34.973 11.922 1.323 1.00 16.33 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1455 ATOM 1084 CZ3 TRP A 138 33.673 12.037 -0.717 1.00 22.22 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1456 ATOM 1085 CH2 TRP A 138 34.434 11.317 0.216 1.00 18.81 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1457 ATOM 1086 N TYR A 139 35.158 16.957 -1.886 1.00 12.78 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1458 ATOM 1087 CA TYR A 139 36.249 16.549 -2.711 1.00 13.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1459 ATOM 1088 C TYR A 139 37.101 17.719 -3.076 1.00 60.46 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1460 ATOM 1089 O TYR A 139 38.303 17.612 -3.090 1.00 21.07 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1461 ATOM 1090 CB TYR A 139 35.709 15.984 -4.012 1.00 13.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1462 ATOM 1091 CG TYR A 139 36.801 15.465 -4.900 1.00 23.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1463 ATOM 1092 CD1 TYR A 139 37.320 14.190 -4.669 1.00 23.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1464 ATOM 1093 CD2 TYR A 139 37.255 16.212 -5.991 1.00 25.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1465 ATOM 1094 CE1 TYR A 139 38.293 13.646 -5.500 1.00 23.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1466 ATOM 1095 CE2 TYR A 139 38.226 15.679 -6.836 1.00 37.37 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1467 ATOM 1096 CZ TYR A 139 38.733 14.400 -6.583 1.00 61.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1468 ATOM 1097 OH TYR A 139 39.681 13.875 -7.394 1.00 53.26 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1469 ATOM 1098 N ASN A 140 36.466 18.813 -3.446 1.00 20.91 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1470 ATOM 1099 CA ASN A 140 37.233 19.994 -3.832 1.00 15.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1471 ATOM 1100 C ASN A 140 38.053 20.620 -2.689 1.00 18.76 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1472 ATOM 1101 O ASN A 140 39.167 21.066 -2.901 1.00 25.65 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1473 ATOM 1102 CB ASN A 140 36.359 20.998 -4.610 1.00 30.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1474 ATOM 1103 CG ASN A 140 36.071 20.429 -5.985 1.00 30.98 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1475 ATOM 1104 OD1 ASN A 140 34.988 19.870 -6.257 1.00 26.20 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1476 ATOM 1105 ND2 ASN A 140 37.086 20.474 -6.839 1.00 31.37 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1477 ATOM 1106 N GLN A 141 37.536 20.587 -1.464 1.00 11.47 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1478 ATOM 1107 CA GLN A 141 38.214 21.127 -0.303 1.00 23.02 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1479 ATOM 1108 C GLN A 141 39.312 20.253 0.284 1.00 31.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1480 ATOM 1109 O GLN A 141 40.375 20.774 0.671 1.00 23.79 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1481 ATOM 1110 CB GLN A 141 37.253 21.591 0.825 1.00 13.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1482 ATOM 1111 CG GLN A 141 36.267 22.680 0.343 1.00 26.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1483 ATOM 1112 CD GLN A 141 36.936 23.887 -0.272 1.00 98.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1484 ATOM 1113 OE1 GLN A 141 36.581 24.345 -1.370 1.00 23.95 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1485 ATOM 1114 NE2 GLN A 141 37.898 24.424 0.454 1.00 21.78 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1486 ATOM 1115 N THR A 142 39.034 18.943 0.415 1.00 22.03 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1487 ATOM 1116 CA THR A 142 39.990 17.982 0.977 1.00 13.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1488 ATOM 1117 C THR A 142 40.179 16.874 -0.003 1.00 21.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1489 ATOM 1118 O THR A 142 39.793 15.741 0.248 1.00 15.62 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1490 ATOM 1119 CB THR A 142 39.523 17.406 2.319 1.00 23.91 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1491 ATOM 1120 OG1 THR A 142 38.158 16.919 2.193 1.00 19.29 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1492 ATOM 1121 CG2 THR A 142 39.647 18.501 3.385 1.00 18.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1493 ATOM 1122 N PRO A 143 40.755 17.216 -1.141 1.00 21.61 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1494 ATOM 1123 CA PRO A 143 40.940 16.223 -2.194 1.00 20.14 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1495 ATOM 1124 C PRO A 143 41.748 14.954 -1.830 1.00 25.97 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1496 ATOM 1125 O PRO A 143 41.390 13.889 -2.264 1.00 18.86 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1497 ATOM 1126 CB PRO A 143 41.600 16.958 -3.358 1.00 16.74 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1498 ATOM 1127 CG PRO A 143 42.279 18.171 -2.740 1.00 13.31 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1499 ATOM 1128 CD PRO A 143 41.522 18.469 -1.453 1.00 16.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1500 ATOM 1129 N ASN A 144 42.850 15.031 -1.088 1.00 10.75 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1501 ATOM 1130 CA ASN A 144 43.618 13.828 -0.796 1.00 18.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1502 ATOM 1131 C ASN A 144 42.883 12.849 0.112 1.00 23.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1503 ATOM 1132 O ASN A 144 42.922 11.640 -0.072 1.00 15.35 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1504 ATOM 1133 CB ASN A 144 45.039 14.093 -0.246 1.00 16.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1505 ATOM 1134 CG ASN A 144 45.959 14.849 -1.227 1.00 36.85 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1506 ATOM 1135 OD1 ASN A 144 45.913 14.693 -2.455 1.00 31.78 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1507 ATOM 1136 ND2 ASN A 144 46.805 15.707 -0.691 1.00 38.60 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1508 ATOM 1137 N ARG A 145 42.233 13.383 1.124 1.00 13.10 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1509 ATOM 1138 CA ARG A 145 41.475 12.559 1.993 1.00 15.40 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1510 ATOM 1139 C ARG A 145 40.220 11.995 1.272 1.00 22.38 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1511 ATOM 1140 O ARG A 145 39.851 10.824 1.407 1.00 20.88 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1512 ATOM 1141 CB ARG A 145 41.024 13.350 3.184 1.00 14.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1513 ATOM 1142 CG ARG A 145 40.007 12.502 3.939 1.00 20.85 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1514 ATOM 1143 CD ARG A 145 39.556 13.178 5.183 1.00 27.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1515 ATOM 1144 NE ARG A 145 38.862 12.291 6.067 1.00 18.87 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1516 ATOM 1145 CZ ARG A 145 38.682 12.706 7.298 1.00 23.12 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1517 ATOM 1146 NH1 ARG A 145 39.167 13.892 7.635 1.00 15.18 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1518 ATOM 1147 NH2 ARG A 145 38.037 11.962 8.200 1.00 15.69 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1519 ATOM 1148 N ALA A 146 39.511 12.859 0.532 1.00 15.21 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1520 ATOM 1149 CA ALA A 146 38.350 12.426 -0.238 1.00 15.43 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1521 ATOM 1150 C ALA A 146 38.717 11.241 -1.162 1.00 15.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1522 ATOM 1151 O ALA A 146 38.018 10.242 -1.207 1.00 19.61 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1523 ATOM 1152 CB ALA A 146 37.751 13.591 -1.052 1.00 15.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1524 ATOM 1153 N LYS A 147 39.828 11.367 -1.917 1.00 15.58 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1525 ATOM 1154 CA LYS A 147 40.311 10.348 -2.825 1.00 16.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1526 ATOM 1155 C LYS A 147 40.521 9.036 -2.132 1.00 19.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1527 ATOM 1156 O LYS A 147 40.253 7.965 -2.683 1.00 14.15 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1528 ATOM 1157 CB LYS A 147 41.620 10.736 -3.448 1.00 19.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1529 ATOM 1158 CG LYS A 147 41.439 11.506 -4.731 1.00 36.68 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1530 ATOM 1159 CD LYS A 147 42.623 12.382 -5.097 1.00 42.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1531 ATOM 1160 CE LYS A 147 42.166 13.604 -5.859 1.00 67.11 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1532 ATOM 1161 NZ LYS A 147 43.241 14.573 -6.079 1.00100.00 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1533 ATOM 1162 N ARG A 148 41.044 9.128 -0.924 1.00 13.10 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1534 ATOM 1163 CA ARG A 148 41.311 7.897 -0.157 1.00 20.23 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1535 ATOM 1164 C ARG A 148 40.026 7.155 0.185 1.00 27.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1536 ATOM 1165 O ARG A 148 39.900 5.938 0.014 1.00 14.50 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1537 ATOM 1166 CB ARG A 148 42.120 8.174 1.115 1.00 16.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1538 ATOM 1167 CG ARG A 148 43.626 8.317 0.868 1.00 10.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1539 ATOM 1168 CD ARG A 148 44.393 8.207 2.168 1.00 13.07 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1540 ATOM 1169 NE ARG A 148 44.082 9.289 3.105 1.00 21.21 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1541 ATOM 1170 CZ ARG A 148 44.668 10.513 3.086 1.00 30.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1542 ATOM 1171 NH1 ARG A 148 45.566 10.864 2.162 1.00 17.96 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1543 ATOM 1172 NH2 ARG A 148 44.360 11.423 3.962 1.00 17.29 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1544 ATOM 1173 N VAL A 149 39.072 7.923 0.697 1.00 12.89 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1545 ATOM 1174 CA VAL A 149 37.760 7.401 1.090 1.00 14.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1546 ATOM 1175 C VAL A 149 37.006 6.834 -0.102 1.00 22.58 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1547 ATOM 1176 O VAL A 149 36.389 5.760 -0.030 1.00 15.48 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1548 ATOM 1177 CB VAL A 149 36.951 8.492 1.778 1.00 10.96 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1549 ATOM 1178 CG1 VAL A 149 35.514 8.009 2.012 1.00 9.61 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1550 ATOM 1179 CG2 VAL A 149 37.590 8.856 3.122 1.00 14.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1551 ATOM 1180 N ILE A 150 37.066 7.584 -1.201 1.00 15.45 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1552 ATOM 1181 CA ILE A 150 36.426 7.237 -2.457 1.00 15.47 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1553 ATOM 1182 C ILE A 150 37.021 5.960 -3.048 1.00 21.83 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1554 ATOM 1183 O ILE A 150 36.316 5.123 -3.627 1.00 21.32 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1555 ATOM 1184 CB ILE A 150 36.427 8.407 -3.495 1.00 21.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1556 ATOM 1185 CG1 ILE A 150 35.502 9.593 -3.091 1.00 20.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1557 ATOM 1186 CG2 ILE A 150 36.038 7.886 -4.888 1.00 21.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1558 ATOM 1187 CD1 ILE A 150 35.633 10.814 -4.006 1.00 11.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1559 ATOM 1188 N THR A 151 38.340 5.806 -2.912 1.00 15.32 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1560 ATOM 1189 CA THR A 151 38.992 4.617 -3.444 1.00 17.24 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1561 ATOM 1190 C THR A 151 38.543 3.425 -2.659 1.00 17.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1562 ATOM 1191 O THR A 151 38.386 2.341 -3.204 1.00 19.37 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1563 ATOM 1192 CB THR A 151 40.520 4.720 -3.355 1.00 18.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1564 ATOM 1193 OG1 THR A 151 40.918 5.592 -4.377 1.00 30.73 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1565 ATOM 1194 CG2 THR A 151 41.145 3.336 -3.585 1.00 20.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1566 ATOM 1195 N THR A 152 38.339 3.660 -1.356 1.00 11.98 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1567 ATOM 1196 CA THR A 152 37.858 2.615 -0.485 1.00 19.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1568 ATOM 1197 C THR A 152 36.452 2.169 -0.928 1.00 25.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1569 ATOM 1198 O THR A 152 36.107 0.990 -0.893 1.00 13.12 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1570 ATOM 1199 CB THR A 152 37.876 3.102 0.975 1.00 15.78 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1571 ATOM 1200 OG1 THR A 152 39.197 3.481 1.276 1.00 16.89 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1572 ATOM 1201 CG2 THR A 152 37.497 1.977 1.917 1.00 14.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1573 ATOM 1202 N PHE A 153 35.624 3.123 -1.357 1.00 16.01 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1574 ATOM 1203 CA PHE A 153 34.281 2.774 -1.774 1.00 12.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1575 ATOM 1204 C PHE A 153 34.302 2.040 -3.107 1.00 26.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1576 ATOM 1205 O PHE A 153 33.527 1.105 -3.371 1.00 18.43 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1577 ATOM 1206 CB PHE A 153 33.322 3.995 -1.850 1.00 18.29 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1578 ATOM 1207 CG PHE A 153 32.610 4.426 -0.574 1.00 24.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1579 ATOM 1208 CD1 PHE A 153 31.746 3.592 0.145 1.00 22.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1580 ATOM 1209 CD2 PHE A 153 32.760 5.732 -0.107 1.00 14.62 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1581 ATOM 1210 CE1 PHE A 153 31.090 4.016 1.308 1.00 16.03 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1582 ATOM 1211 CE2 PHE A 153 32.092 6.184 1.038 1.00 17.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1583 ATOM 1212 CZ PHE A 153 31.262 5.326 1.762 1.00 12.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1584 ATOM 1213 N ARG A 154 35.195 2.489 -3.972 1.00 14.36 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1585 ATOM 1214 CA ARG A 154 35.341 1.907 -5.309 1.00 28.79 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1586 ATOM 1215 C ARG A 154 35.829 0.472 -5.305 1.00 32.48 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1587 ATOM 1216 O ARG A 154 35.281 -0.359 -6.027 1.00 34.08 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1588 ATOM 1217 CB ARG A 154 36.250 2.730 -6.224 1.00 17.86 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1589 ATOM 1218 CG ARG A 154 35.893 2.588 -7.709 1.00 28.51 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1590 ATOM 1219 CD ARG A 154 36.852 3.306 -8.671 1.00 19.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1591 ATOM 1220 NE ARG A 154 38.221 3.404 -8.168 1.00 48.68 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1592 ATOM 1221 CZ ARG A 154 39.183 2.483 -8.298 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1593 ATOM 1222 NH1 ARG A 154 38.992 1.315 -8.924 1.00 59.68 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1594 ATOM 1223 NH2 ARG A 154 40.379 2.752 -7.779 1.00 50.71 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1595 ATOM 1224 N THR A 155 36.872 0.211 -4.495 1.00 22.51 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1596 ATOM 1225 CA THR A 155 37.545 -1.074 -4.450 1.00 18.59 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1597 ATOM 1226 C THR A 155 37.138 -2.005 -3.374 1.00 26.41 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1598 ATOM 1227 O THR A 155 37.319 -3.191 -3.506 1.00 27.41 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1599 ATOM 1228 CB THR A 155 39.076 -0.932 -4.326 1.00 26.06 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1600 ATOM 1229 OG1 THR A 155 39.426 -0.402 -3.056 1.00 18.98 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1601 ATOM 1230 CG2 THR A 155 39.607 -0.066 -5.453 1.00 16.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1602 ATOM 1231 N GLY A 156 36.702 -1.502 -2.270 1.00 22.79 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1603 ATOM 1232 CA GLY A 156 36.382 -2.418 -1.226 1.00 12.45 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1604 ATOM 1233 C GLY A 156 37.621 -2.989 -0.527 1.00 29.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1605 ATOM 1234 O GLY A 156 37.520 -3.953 0.201 1.00 22.18 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1606 ATOM 1235 N THR A 157 38.788 -2.377 -0.707 1.00 20.81 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1607 ATOM 1236 CA THR A 157 40.044 -2.786 -0.056 1.00 18.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1608 ATOM 1237 C THR A 157 40.650 -1.581 0.663 1.00 21.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1609 ATOM 1238 O THR A 157 40.226 -0.459 0.450 1.00 17.44 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1610 ATOM 1239 CB THR A 157 41.062 -3.110 -1.151 1.00 16.72 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1611 ATOM 1240 OG1 THR A 157 41.361 -1.879 -1.814 1.00 27.99 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1612 ATOM 1241 CG2 THR A 157 40.444 -4.098 -2.138 1.00 30.15 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1613 ATOM 1242 N TRP A 158 41.704 -1.798 1.426 1.00 19.78 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1614 ATOM 1243 CA TRP A 158 42.374 -0.730 2.155 1.00 12.64 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1615 ATOM 1244 C TRP A 158 43.588 -0.214 1.423 1.00 18.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1616 ATOM 1245 O TRP A 158 44.490 0.384 2.010 1.00 25.85 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1617 ATOM 1246 CB TRP A 158 42.885 -1.263 3.497 1.00 14.94 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1618 ATOM 1247 CG TRP A 158 41.839 -1.720 4.451 1.00 18.75 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1619 ATOM 1248 CD1 TRP A 158 41.612 -2.998 4.846 1.00 18.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1620 ATOM 1249 CD2 TRP A 158 40.950 -0.892 5.209 1.00 18.89 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1621 ATOM 1250 NE1 TRP A 158 40.608 -3.031 5.785 1.00 19.94 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1622 ATOM 1251 CE2 TRP A 158 40.193 -1.748 6.042 1.00 17.65 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1623 ATOM 1252 CE3 TRP A 158 40.760 0.485 5.290 1.00 16.70 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1624 ATOM 1253 CZ2 TRP A 158 39.221 -1.258 6.918 1.00 29.56 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1625 ATOM 1254 CZ3 TRP A 158 39.815 0.962 6.169 1.00 13.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1626 ATOM 1255 CH2 TRP A 158 39.039 0.102 6.957 1.00 25.71 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1627 ATOM 1256 N ASP A 159 43.625 -0.450 0.136 1.00 18.68 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1628 ATOM 1257 CA ASP A 159 44.780 -0.054 -0.600 1.00 19.20 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1629 ATOM 1258 C ASP A 159 45.192 1.407 -0.484 1.00 24.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1630 ATOM 1259 O ASP A 159 46.376 1.693 -0.478 1.00 27.82 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1631 ATOM 1260 CB ASP A 159 44.628 -0.435 -2.062 1.00 18.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1632 ATOM 1261 CG ASP A 159 44.618 -1.915 -2.320 1.00 72.40 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1633 ATOM 1262 OD1 ASP A 159 45.148 -2.640 -1.364 1.00 38.14 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1634 ATOM 1263 OD2 ASP A 159 44.182 -2.378 -3.349 1.00 36.81 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1635 ATOM 1264 N ALA A 160 44.244 2.330 -0.399 1.00 18.86 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1636 ATOM 1265 CA ALA A 160 44.559 3.759 -0.349 1.00 12.88 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1637 ATOM 1266 C ALA A 160 45.251 4.112 0.941 1.00 20.42 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1638 ATOM 1267 O ALA A 160 45.841 5.171 1.092 1.00 24.68 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1639 ATOM 1268 CB ALA A 160 43.288 4.622 -0.519 1.00 17.04 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1640 ATOM 1269 N TYR A 161 45.131 3.210 1.890 1.00 21.01 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1641 ATOM 1270 CA TYR A 161 45.686 3.447 3.184 1.00 16.44 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1642 ATOM 1271 C TYR A 161 46.908 2.637 3.408 1.00 36.93 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1643 ATOM 1272 O TYR A 161 47.469 2.688 4.496 1.00 31.38 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1644 ATOM 1273 CB TYR A 161 44.711 3.184 4.346 1.00 19.49 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1645 ATOM 1274 CG TYR A 161 43.666 4.258 4.401 1.00 20.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1646 ATOM 1275 CD1 TYR A 161 42.570 4.167 3.539 1.00 14.73 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1647 ATOM 1276 CD2 TYR A 161 43.793 5.361 5.247 1.00 12.95 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1648 ATOM 1277 CE1 TYR A 161 41.564 5.135 3.529 1.00 15.18 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1649 ATOM 1278 CE2 TYR A 161 42.799 6.349 5.243 1.00 14.08 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1650 ATOM 1279 CZ TYR A 161 41.693 6.228 4.385 1.00 22.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1651 ATOM 1280 OH TYR A 161 40.695 7.181 4.365 1.00 17.31 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1652 ATOM 1281 N LYS A 162 47.309 1.888 2.400 1.00 44.48 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1653 ATOM 1282 CA LYS A 162 48.526 1.128 2.555 1.00 55.19 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1654 ATOM 1283 C LYS A 162 49.627 1.743 1.731 1.00 41.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1655 ATOM 1284 O LYS A 162 50.630 2.186 2.281 1.00 72.96 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1656 ATOM 1285 CB LYS A 162 48.381 -0.346 2.323 1.00 40.17 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1657 ATOM 1286 CG LYS A 162 47.496 -0.965 3.387 1.00 41.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1658 ATOM 1287 CD LYS A 162 46.714 -2.161 2.865 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1659 ATOM 1288 CE LYS A 162 46.774 -2.284 1.346 1.00100.00 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1660 ATOM 1289 NZ LYS A 162 45.730 -3.169 0.796 1.00 75.54 N
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1661 TER 1290 LYS A 162
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1662 HETATM 1291 CL CL A 173 43.105 16.437 1.838 1.00 31.25 CL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1663 HETATM 1292 CL CL A 178 31.797 15.637 23.970 0.50 36.01 CL
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1664 HETATM 1293 C1 BME A 901 31.762 -0.871 15.008 1.00 59.34 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1665 HETATM 1294 C2 BME A 901 31.892 -0.606 13.524 1.00 42.69 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1666 HETATM 1295 O1 BME A 901 33.090 -0.817 15.520 1.00 86.60 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1667 HETATM 1296 S2 BME A 901 33.378 -1.464 12.974 1.00 66.76 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1668 HETATM 1297 C1 BME A 902 34.058 -3.174 9.669 1.00 83.63 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1669 HETATM 1298 C2 BME A 902 32.984 -2.119 10.002 1.00 42.57 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1670 HETATM 1299 O1 BME A 902 35.190 -2.535 9.107 1.00 60.57 O
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1671 HETATM 1300 S2 BME A 902 33.624 -0.782 11.042 1.00100.00 S
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1672 HETATM 1301 C1 BNZ A 400 26.408 5.086 3.512 1.00 21.10 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1673 HETATM 1302 C2 BNZ A 400 27.385 5.881 2.928 1.00 23.87 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1674 HETATM 1303 C3 BNZ A 400 27.891 6.973 3.620 1.00 21.16 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1675 HETATM 1304 C4 BNZ A 400 27.441 7.240 4.913 1.00 24.84 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1676 HETATM 1305 C5 BNZ A 400 26.490 6.418 5.520 1.00 23.50 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1677 HETATM 1306 C6 BNZ A 400 25.957 5.352 4.805 1.00 18.26 C
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1678 CONECT 1293 1294 1295
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1679 CONECT 1294 1293 1296
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1680 CONECT 1295 1293
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1681 CONECT 1296 1294 1300
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1682 CONECT 1297 1298 1299
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1683 CONECT 1298 1297 1300
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1684 CONECT 1299 1297
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1685 CONECT 1300 1296 1298
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1686 CONECT 1301 1302 1306
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1687 CONECT 1302 1301 1303
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1688 CONECT 1303 1302 1304
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1689 CONECT 1304 1303 1305
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1690 CONECT 1305 1304 1306
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1691 CONECT 1306 1301 1305
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1692 MASTER 292 0 5 10 4 0 7 6 1447 1 14 13
4cc9d85c3bae "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
bgruening
parents:
diff changeset
1693 END