fpocket: test-data/2brc.pdb annotate

author	bgruening
date	Mon, 12 Aug 2019 13:27:10 -0400
parents
children	4cc9d85c3bae

rev	line source
0 2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	1 HEADER CHAPERONE 04-MAY-05 2BRC
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	2 TITLE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	3 COMPND MOL_ID: 1;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	4 COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	5 COMPND 3 CHAIN: A;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	6 COMPND 4 FRAGMENT: N-TERMINUS, RESIDUES 1-214;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	7 COMPND 5 SYNONYM: HSP90,HEAT SHOCK PROTEIN HSP90,82 KDA HEAT SHOCK PROTEIN;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	8 COMPND 6 ENGINEERED: YES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	9 SOURCE MOL_ID: 1;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	10 SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	11 SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	12 SOURCE 4 ORGANISM_TAXID: 4932;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	13 SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	14 SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	15 KEYWDS ATP-BINDING, CHAPERONE, HEAT SHOCK, INHIBITOR, MULTIGENE FAMILY,
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	16 KEYWDS 2 CHAPERONE-COMPLEX
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	17 EXPDTA X-RAY DIFFRACTION
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	18 AUTHOR S.M.ROE,L.H.PEARL,C.PRODROMOU
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	19 REVDAT 3 28-FEB-18 2BRC 1 JRNL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	20 REVDAT 2 24-FEB-09 2BRC 1 VERSN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	21 REVDAT 1 29-SEP-05 2BRC 0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	22 JRNL AUTH K.M.CHEUNG,T.P.MATTHEWS,K.JAMES,M.G.ROWLANDS,K.J.BOXALL,
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	23 JRNL AUTH 2 S.Y.SHARP,A.MALONEY,S.M.ROE,C.PRODROMOU,L.H.PEARL,
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	24 JRNL AUTH 3 G.W.AHERNE,E.MCDONALD,P.WORKMAN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	25 JRNL TITL THE IDENTIFICATION, SYNTHESIS, PROTEIN CRYSTAL STRUCTURE AND
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	26 JRNL TITL 2 IN VITRO BIOCHEMICAL EVALUATION OF A NEW 3,4-DIARYLPYRAZOLE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	27 JRNL TITL 3 CLASS OF HSP90 INHIBITORS.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	28 JRNL REF BIOORG. MED. CHEM. LETT. V. 15 3338 2005
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	29 JRNL REFN ISSN 0960-894X
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	30 JRNL PMID 15955698
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	31 JRNL DOI 10.1016/J.BMCL.2005.05.046
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	32 REMARK 2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	33 REMARK 2 RESOLUTION. 1.60 ANGSTROMS.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	34 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	35 REMARK 3 REFINEMENT.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	36 REMARK 3 PROGRAM : REFMAC 5.0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	37 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	38 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	39 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	40 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	41 REMARK 3 DATA USED IN REFINEMENT.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	42 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	43 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 74.54
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	44 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	45 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	46 REMARK 3 NUMBER OF REFLECTIONS : 39187
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	47 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	48 REMARK 3 FIT TO DATA USED IN REFINEMENT.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	49 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	50 REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	51 REMARK 3 R VALUE (WORKING + TEST SET) : 0.188
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	52 REMARK 3 R VALUE (WORKING SET) : 0.187
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	53 REMARK 3 FREE R VALUE : 0.214
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	54 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	55 REMARK 3 FREE R VALUE TEST SET COUNT : 2067
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	56 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	57 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	58 REMARK 3 TOTAL NUMBER OF BINS USED : 20
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	59 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	61 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2844
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	62 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	63 REMARK 3 BIN R VALUE (WORKING SET) : 0.2260
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	64 REMARK 3 BIN FREE R VALUE SET COUNT : 159
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	65 REMARK 3 BIN FREE R VALUE : 0.2770
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	66 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	67 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	68 REMARK 3 PROTEIN ATOMS : 1664
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	69 REMARK 3 NUCLEIC ACID ATOMS : 0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	70 REMARK 3 HETEROGEN ATOMS : 26
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	71 REMARK 3 SOLVENT ATOMS : 258
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	72 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	73 REMARK 3 B VALUES.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	74 REMARK 3 FROM WILSON PLOT (A**2) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	75 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.14
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	76 REMARK 3 OVERALL ANISOTROPIC B VALUE.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	77 REMARK 3 B11 (A**2) : -0.40000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	78 REMARK 3 B22 (A**2) : -0.40000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	79 REMARK 3 B33 (A**2) : 0.79000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	80 REMARK 3 B12 (A**2) : 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	81 REMARK 3 B13 (A**2) : 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	82 REMARK 3 B23 (A**2) : 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	83 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	84 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	85 REMARK 3 ESU BASED ON R VALUE (A): 0.076
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	86 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.078
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	87 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.053
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	88 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.480
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	89 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	90 REMARK 3 CORRELATION COEFFICIENTS.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	91 REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	92 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.953
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	93 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	94 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	95 REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1717 ; 0.016 ; 0.022
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	96 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	97 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2325 ; 1.820 ; 1.985
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	98 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	99 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 213 ; 5.073 ; 3.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	100 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	101 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 308 ;14.190 ;15.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	102 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	103 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 270 ; 0.131 ; 0.200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	104 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1276 ; 0.008 ; 0.020
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	105 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	106 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 865 ; 0.236 ; 0.300
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	107 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	108 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	109 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	110 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 256 ; 0.191 ; 0.500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	111 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	112 REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	113 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	114 REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 39 ; 0.318 ; 0.300
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	115 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	116 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 24 ; 0.589 ; 0.500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	117 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	118 REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	119 REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	120 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	121 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	122 REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1062 ; 1.031 ; 1.500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	123 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	124 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1716 ; 1.864 ; 2.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	125 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	126 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 655 ; 3.090 ; 3.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	127 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	128 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 609 ; 4.994 ; 4.500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	129 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	130 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	131 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	132 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	133 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	134 REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	135 REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	136 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	137 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	138 REMARK 3 NCS RESTRAINTS STATISTICS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	139 REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	140 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	141 REMARK 3 TLS DETAILS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	142 REMARK 3 NUMBER OF TLS GROUPS : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	143 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	144 REMARK 3 BULK SOLVENT MODELLING.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	145 REMARK 3 METHOD USED : BABINET MODEL WITH MASK
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	146 REMARK 3 PARAMETERS FOR MASK CALCULATION
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	147 REMARK 3 VDW PROBE RADIUS : 1.40
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	148 REMARK 3 ION PROBE RADIUS : 0.80
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	149 REMARK 3 SHRINKAGE RADIUS : 0.80
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	150 REMARK 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	151 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	152 REMARK 3 POSITIONS.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	153 REMARK 4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	154 REMARK 4 2BRC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	155 REMARK 100
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	156 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-MAY-05.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	157 REMARK 100 THE DEPOSITION ID IS D_1290023902.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	158 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	159 REMARK 200 EXPERIMENTAL DETAILS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	160 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	161 REMARK 200 DATE OF DATA COLLECTION : 14-NOV-01
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	162 REMARK 200 TEMPERATURE (KELVIN) : 100.0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	163 REMARK 200 PH : 7.00
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	164 REMARK 200 NUMBER OF CRYSTALS USED : 1
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	165 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	166 REMARK 200 SYNCHROTRON (Y/N) : Y
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	167 REMARK 200 RADIATION SOURCE : ESRF
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	168 REMARK 200 BEAMLINE : ID14-1
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	169 REMARK 200 X-RAY GENERATOR MODEL : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	170 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	171 REMARK 200 WAVELENGTH OR RANGE (A) : 0.934
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	172 REMARK 200 MONOCHROMATOR : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	173 REMARK 200 OPTICS : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	174 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	175 REMARK 200 DETECTOR TYPE : CCD
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	176 REMARK 200 DETECTOR MANUFACTURER : ADSC CCD
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	177 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	178 REMARK 200 DATA SCALING SOFTWARE : SCALA
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	179 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	180 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41319
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	181 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	182 REMARK 200 RESOLUTION RANGE LOW (A) : 38.000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	183 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	184 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	185 REMARK 200 OVERALL.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	186 REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	187 REMARK 200 DATA REDUNDANCY : 5.200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	188 REMARK 200 R MERGE (I) : 0.08000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	189 REMARK 200 R SYM (I) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	190 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.1000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	191 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	192 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	193 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	194 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	195 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	196 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	197 REMARK 200 R MERGE FOR SHELL (I) : 0.32000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	198 REMARK 200 R SYM FOR SHELL (I) : NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	199 REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.600
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	200 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	201 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	202 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	203 REMARK 200 SOFTWARE USED: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	204 REMARK 200 STARTING MODEL: PDB ENTRY 1BGQ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	205 REMARK 200
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	206 REMARK 200 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	207 REMARK 280
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	208 REMARK 280 CRYSTAL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	209 REMARK 280 SOLVENT CONTENT, VS (%): 55.42
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	210 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	211 REMARK 280
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	212 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	213 REMARK 290
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	214 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	215 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 2 2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	216 REMARK 290
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	217 REMARK 290 SYMOP SYMMETRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	218 REMARK 290 NNNMMM OPERATOR
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	219 REMARK 290 1555 X,Y,Z
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	220 REMARK 290 2555 -X,-Y,Z+1/2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	221 REMARK 290 3555 -Y,X,Z+3/4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	222 REMARK 290 4555 Y,-X,Z+1/4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	223 REMARK 290 5555 -X,Y,-Z
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	224 REMARK 290 6555 X,-Y,-Z+1/2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	225 REMARK 290 7555 Y,X,-Z+1/4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	226 REMARK 290 8555 -Y,-X,-Z+3/4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	227 REMARK 290
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	228 REMARK 290 WHERE NNN -> OPERATOR NUMBER
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	229 REMARK 290 MMM -> TRANSLATION VECTOR
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	230 REMARK 290
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	231 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	232 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	233 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	234 REMARK 290 RELATED MOLECULES.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	235 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	236 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	237 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	238 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	239 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	240 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.39600
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	241 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	242 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	243 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 83.09400
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	244 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	245 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	246 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.69800
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	247 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	248 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	249 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	251 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	252 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 55.39600
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	253 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	254 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	255 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.69800
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	256 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	257 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	258 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 83.09400
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	259 REMARK 290
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	260 REMARK 290 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	261 REMARK 300
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	262 REMARK 300 BIOMOLECULE: 1
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	263 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	264 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	265 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	266 REMARK 300 BURIED SURFACE AREA.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	267 REMARK 350
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	268 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	269 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	270 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	271 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	272 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	273 REMARK 350
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	274 REMARK 350 BIOMOLECULE: 1
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	275 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	276 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	277 REMARK 350 SOFTWARE USED: PQS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	278 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	279 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	280 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	281 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	282 REMARK 470
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	283 REMARK 470 MISSING ATOM
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	284 REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	285 REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	286 REMARK 470 I=INSERTION CODE):
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	287 REMARK 470 M RES CSSEQI ATOMS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	288 REMARK 470 MET A 1 CG SD CE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	289 REMARK 470 ARG A 32 CD NE CZ NH1 NH2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	290 REMARK 470 LYS A 54 CD CE NZ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	291 REMARK 470 GLU A 71 CG CD OE1 OE2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	292 REMARK 470 LYS A 98 CG CD CE NZ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	293 REMARK 470 LYS A 102 CD CE NZ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	294 REMARK 470 LYS A 188 CD CE NZ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	295 REMARK 470 LYS A 195 CE NZ
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	296 REMARK 470 ARG A 196 CG CD NE CZ NH1 NH2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	297 REMARK 470 GLU A 214 CG CD OE1 OE2
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	298 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	299 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	300 REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	301 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	302 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	303 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	304 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	305 REMARK 500 O SER A 99 O HOH A 2150 1.91
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	306 REMARK 500 OD1 ASP A 40 O HOH A 2072 2.08
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	307 REMARK 500 C SER A 99 O HOH A 2150 2.17
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	308 REMARK 500 O HOH A 2043 O HOH A 2118 2.17
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	309 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	310 REMARK 500 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	311 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	312 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	313 REMARK 500 SUBTOPIC: CLOSE CONTACTS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	314 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	315 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	316 REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	317 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	318 REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	319 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	320 REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	321 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	322 REMARK 500 DISTANCE CUTOFF:
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	323 REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	324 REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	325 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	326 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	327 REMARK 500 O HOH A 2150 O HOH A 2150 5555 0.55
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	328 REMARK 500 O HOH A 2080 O HOH A 2080 8554 1.07
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	329 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	330 REMARK 500 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	331 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	332 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	333 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	334 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	335 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	336 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	337 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	338 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	339 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	340 REMARK 500 STANDARD TABLE:
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	341 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	342 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	343 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	344 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	345 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	346 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	347 REMARK 500 ASP A 43 CB - CG - OD2 ANGL. DEV. = 7.7 DEGREES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	348 REMARK 500 ASP A 132 CB - CG - OD2 ANGL. DEV. = 6.2 DEGREES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	349 REMARK 500 ASP A 142 CB - CG - OD2 ANGL. DEV. = 6.5 DEGREES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	350 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	351 REMARK 500 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	352 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	353 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	354 REMARK 500 SUBTOPIC: TORSION ANGLES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	355 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	356 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	357 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	358 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	359 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	360 REMARK 500 STANDARD TABLE:
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	361 REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	362 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	363 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	364 REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	365 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	366 REMARK 500 M RES CSSEQI PSI PHI
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	367 REMARK 500 TYR A 24 132.19 -39.44
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	368 REMARK 500 ASP A 52 68.04 -150.55
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	369 REMARK 500 GLU A 59 87.65 -172.16
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	370 REMARK 500 THR A 95 -58.55 -128.28
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	371 REMARK 500 PHE A 200 68.61 -111.48
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	372 REMARK 500
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	373 REMARK 500 REMARK: NULL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	374 REMARK 525
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	375 REMARK 525 SOLVENT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	376 REMARK 525
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	377 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	378 REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	379 REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	380 REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	381 REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	382 REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	383 REMARK 525 NUMBER; I=INSERTION CODE):
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	384 REMARK 525
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	385 REMARK 525 M RES CSSEQI
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	386 REMARK 525 HOH A2003 DISTANCE = 5.89 ANGSTROMS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	387 REMARK 525 HOH A2023 DISTANCE = 6.11 ANGSTROMS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	388 REMARK 800
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	389 REMARK 800 SITE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	390 REMARK 800 SITE_IDENTIFIER: AC1
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	391 REMARK 800 EVIDENCE_CODE: SOFTWARE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	392 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CT5 A1215
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	393 REMARK 900
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	394 REMARK 900 RELATED ENTRIES
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	395 REMARK 900 RELATED ID: 1A4H RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	396 REMARK 900 STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	397 REMARK 900 COMPLEX WITH GELDANAMYCIN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	398 REMARK 900 RELATED ID: 1AH6 RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	399 REMARK 900 STRUCTURE OF THE TETRAGONAL FORM OF THE N -TERMINAL DOMAIN OF THE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	400 REMARK 900 YEAST HSP90 CHAPERONE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	401 REMARK 900 RELATED ID: 1AH8 RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	402 REMARK 900 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	403 REMARK 900 YEAST HSP90 CHAPERONE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	404 REMARK 900 RELATED ID: 1AM1 RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	405 REMARK 900 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	406 REMARK 900 RELATED ID: 1AMW RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	407 REMARK 900 ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	408 REMARK 900 RELATED ID: 1BGQ RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	409 REMARK 900 RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	410 REMARK 900 THE YEAST HSP90 CHAPERONE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	411 REMARK 900 RELATED ID: 1HK7 RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	412 REMARK 900 MIDDLE DOMAIN OF HSP90
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	413 REMARK 900 RELATED ID: 1US7 RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	414 REMARK 900 COMPLEX OF HSP90 AND P50
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	415 REMARK 900 RELATED ID: 1USU RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	416 REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	417 REMARK 900 RELATED ID: 1USV RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	418 REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	419 REMARK 900 RELATED ID: 2BRE RELATED DB: PDB
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	420 REMARK 900 STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	421 REMARK 900 HSP90.
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	422 DBREF 2BRC A 1 214 UNP P02829 HSP82_YEAST 1 214
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	423 SEQRES 1 A 214 MET ALA SER GLU THR PHE GLU PHE GLN ALA GLU ILE THR
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	424 SEQRES 2 A 214 GLN LEU MET SER LEU ILE ILE ASN THR VAL TYR SER ASN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	425 SEQRES 3 A 214 LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	426 SEQRES 4 A 214 ASP ALA LEU ASP LYS ILE ARG TYR LYS SER LEU SER ASP
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	427 SEQRES 5 A 214 PRO LYS GLN LEU GLU THR GLU PRO ASP LEU PHE ILE ARG
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	428 SEQRES 6 A 214 ILE THR PRO LYS PRO GLU GLN LYS VAL LEU GLU ILE ARG
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	429 SEQRES 7 A 214 ASP SER GLY ILE GLY MET THR LYS ALA GLU LEU ILE ASN
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	430 SEQRES 8 A 214 ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA PHE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	431 SEQRES 9 A 214 MET GLU ALA LEU SER ALA GLY ALA ASP VAL SER MET ILE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	432 SEQRES 10 A 214 GLY GLN PHE GLY VAL GLY PHE TYR SER LEU PHE LEU VAL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	433 SEQRES 11 A 214 ALA ASP ARG VAL GLN VAL ILE SER LYS SER ASN ASP ASP
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	434 SEQRES 12 A 214 GLU GLN TYR ILE TRP GLU SER ASN ALA GLY GLY SER PHE
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	435 SEQRES 13 A 214 THR VAL THR LEU ASP GLU VAL ASN GLU ARG ILE GLY ARG
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	436 SEQRES 14 A 214 GLY THR ILE LEU ARG LEU PHE LEU LYS ASP ASP GLN LEU
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	437 SEQRES 15 A 214 GLU TYR LEU GLU GLU LYS ARG ILE LYS GLU VAL ILE LYS
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	438 SEQRES 16 A 214 ARG HIS SER GLU PHE VAL ALA TYR PRO ILE GLN LEU VAL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	439 SEQRES 17 A 214 VAL THR LYS GLU VAL GLU
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	440 HET CT5 A1215 26
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	441 HETNAM CT5 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	442 HETNAM 2 CT5 PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	443 FORMUL 2 CT5 C20 H20 N2 O4
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	444 FORMUL 3 HOH *258(H2 O)
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	445 HELIX 1 1 GLN A 9 THR A 22 1 14
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	446 HELIX 2 2 GLU A 28 LEU A 50 1 23
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	447 HELIX 3 3 ASP A 52 GLU A 57 5 6
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	448 HELIX 4 4 PRO A 70 GLN A 72 5 3
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	449 HELIX 5 5 THR A 85 THR A 95 1 11
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	450 HELIX 6 6 ALA A 97 GLY A 111 1 15
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	451 HELIX 7 7 ASP A 113 GLY A 121 5 9
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	452 HELIX 8 8 VAL A 122 LEU A 129 5 8
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	453 HELIX 9 9 GLN A 181 LEU A 185 5 5
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	454 HELIX 10 10 GLU A 186 SER A 198 1 13
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	455 SHEET 1 AA 8 GLU A 4 GLU A 7 0
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	456 SHEET 2 AA 8 SER A 155 LEU A 160 -1 O PHE A 156 N PHE A 6
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	457 SHEET 3 AA 8 TYR A 146 SER A 150 -1 O ILE A 147 N THR A 159
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	458 SHEET 4 AA 8 ALA A 131 LYS A 139 -1 O VAL A 134 N SER A 150
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	459 SHEET 5 AA 8 GLY A 170 LEU A 177 -1 O GLY A 170 N LYS A 139
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	460 SHEET 6 AA 8 VAL A 74 ASP A 79 -1 O LEU A 75 N LEU A 175
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	461 SHEET 7 AA 8 ILE A 64 LYS A 69 -1 O ARG A 65 N ARG A 78
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	462 SHEET 8 AA 8 ILE A 205 LEU A 207 1 O GLN A 206 N ILE A 66
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	463 SITE 1 AC1 13 ASN A 37 ASP A 40 ALA A 41 ASP A 79
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	464 SITE 2 AC1 13 ILE A 82 GLY A 83 MET A 84 LEU A 93
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	465 SITE 3 AC1 13 PHE A 124 THR A 171 LEU A 173 HOH A2137
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	466 SITE 4 AC1 13 HOH A2258
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	467 CRYST1 74.001 74.001 110.792 90.00 90.00 90.00 P 43 2 2 8
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	468 ORIGX1 1.000000 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	469 ORIGX2 0.000000 1.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	470 ORIGX3 0.000000 0.000000 1.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	471 SCALE1 0.013513 0.000000 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	472 SCALE2 0.000000 0.013513 0.000000 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	473 SCALE3 0.000000 0.000000 0.009026 0.00000
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	474 ATOM 1 N MET A 1 33.050 12.973 3.916 1.00 39.39 N
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	475 ATOM 2 CA MET A 1 32.080 14.100 3.862 1.00 38.29 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	476 ATOM 3 C MET A 1 30.953 13.936 4.885 1.00 37.36 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	477 ATOM 4 O MET A 1 30.838 12.911 5.590 1.00 37.93 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	478 ATOM 5 CB MET A 1 31.526 14.308 2.438 1.00 38.85 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	479 ATOM 6 N ALA A 2 30.143 14.975 4.991 1.00 35.49 N
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	480 ATOM 7 CA ALA A 2 29.061 14.961 5.946 1.00 33.10 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	481 ATOM 8 C ALA A 2 27.916 14.113 5.410 1.00 31.03 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	482 ATOM 9 O ALA A 2 27.625 14.096 4.218 1.00 30.48 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	483 ATOM 10 CB ALA A 2 28.585 16.359 6.229 1.00 33.84 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	484 ATOM 11 N SER A 3 27.291 13.413 6.329 1.00 28.88 N
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	485 ATOM 12 CA SER A 3 26.114 12.628 6.050 1.00 26.78 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	486 ATOM 13 C SER A 3 24.897 13.548 6.013 1.00 25.46 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	487 ATOM 14 O SER A 3 24.903 14.616 6.635 1.00 27.72 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	488 ATOM 15 CB SER A 3 25.930 11.628 7.186 1.00 26.97 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	489 ATOM 16 OG SER A 3 27.070 10.778 7.297 1.00 29.95 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	490 ATOM 17 N GLU A 4 23.863 13.159 5.271 1.00 22.40 N
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	491 ATOM 18 CA GLU A 4 22.588 13.858 5.311 1.00 21.11 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	492 ATOM 19 C GLU A 4 21.595 12.891 5.949 1.00 20.34 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	493 ATOM 20 O GLU A 4 21.680 11.672 5.722 1.00 18.50 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	494 ATOM 21 CB GLU A 4 22.116 14.172 3.908 1.00 21.46 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	495 ATOM 22 CG GLU A 4 22.892 15.306 3.261 1.00 26.09 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	496 ATOM 23 CD GLU A 4 22.630 15.384 1.769 1.00 32.97 C
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	497 ATOM 24 OE1 GLU A 4 21.465 15.617 1.387 1.00 38.16 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	498 ATOM 25 OE2 GLU A 4 23.584 15.218 0.979 1.00 38.74 O
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	499 ATOM 26 N THR A 5 20.671 13.426 6.740 1.00 19.30 N
2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51" bgruening parents: diff changeset	500 ATOM 27 CA THR A 5 19.715 12.600 7.462 1.00 19.48 C

0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1 HEADER CHAPERONE 04-MAY-05 2BRC

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2 TITLE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

3 COMPND MOL_ID: 1;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

4 COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

5 COMPND 3 CHAIN: A;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

6 COMPND 4 FRAGMENT: N-TERMINUS, RESIDUES 1-214;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

7 COMPND 5 SYNONYM: HSP90,HEAT SHOCK PROTEIN HSP90,82 KDA HEAT SHOCK PROTEIN;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

8 COMPND 6 ENGINEERED: YES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

9 SOURCE MOL_ID: 1;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

10 SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

11 SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

12 SOURCE 4 ORGANISM_TAXID: 4932;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

13 SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

14 SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

15 KEYWDS ATP-BINDING, CHAPERONE, HEAT SHOCK, INHIBITOR, MULTIGENE FAMILY,

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

16 KEYWDS 2 CHAPERONE-COMPLEX

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

17 EXPDTA X-RAY DIFFRACTION

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

18 AUTHOR S.M.ROE,L.H.PEARL,C.PRODROMOU

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

19 REVDAT 3 28-FEB-18 2BRC 1 JRNL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

20 REVDAT 2 24-FEB-09 2BRC 1 VERSN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

21 REVDAT 1 29-SEP-05 2BRC 0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

22 JRNL AUTH K.M.CHEUNG,T.P.MATTHEWS,K.JAMES,M.G.ROWLANDS,K.J.BOXALL,

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

23 JRNL AUTH 2 S.Y.SHARP,A.MALONEY,S.M.ROE,C.PRODROMOU,L.H.PEARL,

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

24 JRNL AUTH 3 G.W.AHERNE,E.MCDONALD,P.WORKMAN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

25 JRNL TITL THE IDENTIFICATION, SYNTHESIS, PROTEIN CRYSTAL STRUCTURE AND

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

26 JRNL TITL 2 IN VITRO BIOCHEMICAL EVALUATION OF A NEW 3,4-DIARYLPYRAZOLE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

27 JRNL TITL 3 CLASS OF HSP90 INHIBITORS.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

28 JRNL REF BIOORG. MED. CHEM. LETT. V. 15 3338 2005

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

29 JRNL REFN ISSN 0960-894X

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

30 JRNL PMID 15955698

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

31 JRNL DOI 10.1016/J.BMCL.2005.05.046

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

32 REMARK 2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

33 REMARK 2 RESOLUTION. 1.60 ANGSTROMS.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

34 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

35 REMARK 3 REFINEMENT.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

36 REMARK 3 PROGRAM : REFMAC 5.0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

37 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

38 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

39 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

40 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

41 REMARK 3 DATA USED IN REFINEMENT.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

42 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

43 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 74.54

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

44 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

45 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

46 REMARK 3 NUMBER OF REFLECTIONS : 39187

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

47 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

48 REMARK 3 FIT TO DATA USED IN REFINEMENT.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

49 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

50 REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

51 REMARK 3 R VALUE (WORKING + TEST SET) : 0.188

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

52 REMARK 3 R VALUE (WORKING SET) : 0.187

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

53 REMARK 3 FREE R VALUE : 0.214

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

54 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

55 REMARK 3 FREE R VALUE TEST SET COUNT : 2067

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

56 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

57 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

58 REMARK 3 TOTAL NUMBER OF BINS USED : 20

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

59 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

61 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2844

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

62 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

63 REMARK 3 BIN R VALUE (WORKING SET) : 0.2260

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

64 REMARK 3 BIN FREE R VALUE SET COUNT : 159

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

65 REMARK 3 BIN FREE R VALUE : 0.2770

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

66 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

67 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

68 REMARK 3 PROTEIN ATOMS : 1664

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

69 REMARK 3 NUCLEIC ACID ATOMS : 0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

70 REMARK 3 HETEROGEN ATOMS : 26

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

71 REMARK 3 SOLVENT ATOMS : 258

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

72 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

73 REMARK 3 B VALUES.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

74 REMARK 3 FROM WILSON PLOT (A**2) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

75 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.14

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

76 REMARK 3 OVERALL ANISOTROPIC B VALUE.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

77 REMARK 3 B11 (A**2) : -0.40000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

78 REMARK 3 B22 (A**2) : -0.40000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

79 REMARK 3 B33 (A**2) : 0.79000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

80 REMARK 3 B12 (A**2) : 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

81 REMARK 3 B13 (A**2) : 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

82 REMARK 3 B23 (A**2) : 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

83 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

84 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

85 REMARK 3 ESU BASED ON R VALUE (A): 0.076

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

86 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.078

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

87 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.053

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

88 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.480

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

89 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

90 REMARK 3 CORRELATION COEFFICIENTS.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

91 REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

92 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.953

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

93 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

94 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

95 REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1717 ; 0.016 ; 0.022

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

96 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

97 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2325 ; 1.820 ; 1.985

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

98 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

99 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 213 ; 5.073 ; 3.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

100 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

101 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 308 ;14.190 ;15.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

102 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

103 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 270 ; 0.131 ; 0.200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

104 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1276 ; 0.008 ; 0.020

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

105 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

106 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 865 ; 0.236 ; 0.300

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

107 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

108 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

109 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

110 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 256 ; 0.191 ; 0.500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

111 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

112 REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

113 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

114 REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 39 ; 0.318 ; 0.300

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

115 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

116 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 24 ; 0.589 ; 0.500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

117 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

118 REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

119 REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

120 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

121 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

122 REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1062 ; 1.031 ; 1.500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

123 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

124 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1716 ; 1.864 ; 2.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

125 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

126 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 655 ; 3.090 ; 3.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

127 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

128 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 609 ; 4.994 ; 4.500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

129 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

130 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

131 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

132 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

133 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

134 REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

135 REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

136 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

137 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

138 REMARK 3 NCS RESTRAINTS STATISTICS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

139 REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

140 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

141 REMARK 3 TLS DETAILS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

142 REMARK 3 NUMBER OF TLS GROUPS : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

143 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

144 REMARK 3 BULK SOLVENT MODELLING.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

145 REMARK 3 METHOD USED : BABINET MODEL WITH MASK

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

146 REMARK 3 PARAMETERS FOR MASK CALCULATION

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

147 REMARK 3 VDW PROBE RADIUS : 1.40

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

148 REMARK 3 ION PROBE RADIUS : 0.80

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

149 REMARK 3 SHRINKAGE RADIUS : 0.80

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

150 REMARK 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

151 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

152 REMARK 3 POSITIONS.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

153 REMARK 4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

154 REMARK 4 2BRC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

155 REMARK 100

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

156 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-MAY-05.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

157 REMARK 100 THE DEPOSITION ID IS D_1290023902.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

158 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

159 REMARK 200 EXPERIMENTAL DETAILS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

160 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

161 REMARK 200 DATE OF DATA COLLECTION : 14-NOV-01

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

162 REMARK 200 TEMPERATURE (KELVIN) : 100.0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

163 REMARK 200 PH : 7.00

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

164 REMARK 200 NUMBER OF CRYSTALS USED : 1

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

165 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

166 REMARK 200 SYNCHROTRON (Y/N) : Y

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

167 REMARK 200 RADIATION SOURCE : ESRF

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

168 REMARK 200 BEAMLINE : ID14-1

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

169 REMARK 200 X-RAY GENERATOR MODEL : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

170 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

171 REMARK 200 WAVELENGTH OR RANGE (A) : 0.934

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

172 REMARK 200 MONOCHROMATOR : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

173 REMARK 200 OPTICS : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

174 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

175 REMARK 200 DETECTOR TYPE : CCD

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

176 REMARK 200 DETECTOR MANUFACTURER : ADSC CCD

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

177 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

178 REMARK 200 DATA SCALING SOFTWARE : SCALA

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

179 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

180 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41319

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

181 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

182 REMARK 200 RESOLUTION RANGE LOW (A) : 38.000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

183 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

184 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

185 REMARK 200 OVERALL.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

186 REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

187 REMARK 200 DATA REDUNDANCY : 5.200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

188 REMARK 200 R MERGE (I) : 0.08000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

189 REMARK 200 R SYM (I) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

190 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.1000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

191 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

192 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

193 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

194 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

195 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

196 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

197 REMARK 200 R MERGE FOR SHELL (I) : 0.32000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

198 REMARK 200 R SYM FOR SHELL (I) : NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

199 REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.600

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

200 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

201 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

202 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

203 REMARK 200 SOFTWARE USED: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

204 REMARK 200 STARTING MODEL: PDB ENTRY 1BGQ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

205 REMARK 200

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

206 REMARK 200 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

207 REMARK 280

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

208 REMARK 280 CRYSTAL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

209 REMARK 280 SOLVENT CONTENT, VS (%): 55.42

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

210 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

211 REMARK 280

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

212 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

213 REMARK 290

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

214 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

215 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 2 2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

216 REMARK 290

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

217 REMARK 290 SYMOP SYMMETRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

218 REMARK 290 NNNMMM OPERATOR

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

219 REMARK 290 1555 X,Y,Z

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

220 REMARK 290 2555 -X,-Y,Z+1/2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

221 REMARK 290 3555 -Y,X,Z+3/4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

222 REMARK 290 4555 Y,-X,Z+1/4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

223 REMARK 290 5555 -X,Y,-Z

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

224 REMARK 290 6555 X,-Y,-Z+1/2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

225 REMARK 290 7555 Y,X,-Z+1/4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

226 REMARK 290 8555 -Y,-X,-Z+3/4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

227 REMARK 290

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

228 REMARK 290 WHERE NNN -> OPERATOR NUMBER

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

229 REMARK 290 MMM -> TRANSLATION VECTOR

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

230 REMARK 290

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

231 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

232 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

233 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

234 REMARK 290 RELATED MOLECULES.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

235 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

236 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

237 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

238 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

239 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

240 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.39600

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

241 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

242 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

243 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 83.09400

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

244 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

245 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

246 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.69800

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

247 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

248 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

249 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

251 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

252 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 55.39600

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

253 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

254 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

255 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.69800

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

256 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

257 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

258 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 83.09400

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

259 REMARK 290

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

260 REMARK 290 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

261 REMARK 300

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

262 REMARK 300 BIOMOLECULE: 1

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

263 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

264 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

265 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

266 REMARK 300 BURIED SURFACE AREA.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

267 REMARK 350

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

268 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

269 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

270 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

271 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

272 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

273 REMARK 350

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

274 REMARK 350 BIOMOLECULE: 1

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

275 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

276 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

277 REMARK 350 SOFTWARE USED: PQS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

278 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

279 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

280 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

281 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

282 REMARK 470

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

283 REMARK 470 MISSING ATOM

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

284 REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

285 REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

286 REMARK 470 I=INSERTION CODE):

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

287 REMARK 470 M RES CSSEQI ATOMS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

288 REMARK 470 MET A 1 CG SD CE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

289 REMARK 470 ARG A 32 CD NE CZ NH1 NH2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

290 REMARK 470 LYS A 54 CD CE NZ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

291 REMARK 470 GLU A 71 CG CD OE1 OE2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

292 REMARK 470 LYS A 98 CG CD CE NZ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

293 REMARK 470 LYS A 102 CD CE NZ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

294 REMARK 470 LYS A 188 CD CE NZ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

295 REMARK 470 LYS A 195 CE NZ

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

296 REMARK 470 ARG A 196 CG CD NE CZ NH1 NH2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

297 REMARK 470 GLU A 214 CG CD OE1 OE2

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

298 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

299 REMARK 500 GEOMETRY AND STEREOCHEMISTRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

300 REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

301 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

302 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

303 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

304 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

305 REMARK 500 O SER A 99 O HOH A 2150 1.91

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

306 REMARK 500 OD1 ASP A 40 O HOH A 2072 2.08

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

307 REMARK 500 C SER A 99 O HOH A 2150 2.17

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

308 REMARK 500 O HOH A 2043 O HOH A 2118 2.17

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

309 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

310 REMARK 500 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

311 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

312 REMARK 500 GEOMETRY AND STEREOCHEMISTRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

313 REMARK 500 SUBTOPIC: CLOSE CONTACTS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

314 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

315 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

316 REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

317 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

318 REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

319 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

320 REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

321 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

322 REMARK 500 DISTANCE CUTOFF:

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

323 REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

324 REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

325 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

326 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

327 REMARK 500 O HOH A 2150 O HOH A 2150 5555 0.55

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

328 REMARK 500 O HOH A 2080 O HOH A 2080 8554 1.07

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

329 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

330 REMARK 500 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

331 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

332 REMARK 500 GEOMETRY AND STEREOCHEMISTRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

333 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

334 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

335 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

336 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

337 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

338 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

339 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

340 REMARK 500 STANDARD TABLE:

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

341 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

342 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

343 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

344 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

345 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

346 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

347 REMARK 500 ASP A 43 CB - CG - OD2 ANGL. DEV. = 7.7 DEGREES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

348 REMARK 500 ASP A 132 CB - CG - OD2 ANGL. DEV. = 6.2 DEGREES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

349 REMARK 500 ASP A 142 CB - CG - OD2 ANGL. DEV. = 6.5 DEGREES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

350 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

351 REMARK 500 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

352 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

353 REMARK 500 GEOMETRY AND STEREOCHEMISTRY

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

354 REMARK 500 SUBTOPIC: TORSION ANGLES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

355 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

356 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

357 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

358 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

359 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

360 REMARK 500 STANDARD TABLE:

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

361 REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

362 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

363 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

364 REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

365 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

366 REMARK 500 M RES CSSEQI PSI PHI

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

367 REMARK 500 TYR A 24 132.19 -39.44

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

368 REMARK 500 ASP A 52 68.04 -150.55

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

369 REMARK 500 GLU A 59 87.65 -172.16

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

370 REMARK 500 THR A 95 -58.55 -128.28

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

371 REMARK 500 PHE A 200 68.61 -111.48

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

372 REMARK 500

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

373 REMARK 500 REMARK: NULL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

374 REMARK 525

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

375 REMARK 525 SOLVENT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

376 REMARK 525

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

377 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

378 REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

379 REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

380 REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

381 REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

382 REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

383 REMARK 525 NUMBER; I=INSERTION CODE):

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

384 REMARK 525

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

385 REMARK 525 M RES CSSEQI

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

386 REMARK 525 HOH A2003 DISTANCE = 5.89 ANGSTROMS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

387 REMARK 525 HOH A2023 DISTANCE = 6.11 ANGSTROMS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

388 REMARK 800

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

389 REMARK 800 SITE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

390 REMARK 800 SITE_IDENTIFIER: AC1

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

391 REMARK 800 EVIDENCE_CODE: SOFTWARE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

392 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CT5 A1215

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

393 REMARK 900

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

394 REMARK 900 RELATED ENTRIES

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

395 REMARK 900 RELATED ID: 1A4H RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

396 REMARK 900 STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

397 REMARK 900 COMPLEX WITH GELDANAMYCIN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

398 REMARK 900 RELATED ID: 1AH6 RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

399 REMARK 900 STRUCTURE OF THE TETRAGONAL FORM OF THE N -TERMINAL DOMAIN OF THE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

400 REMARK 900 YEAST HSP90 CHAPERONE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

401 REMARK 900 RELATED ID: 1AH8 RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

402 REMARK 900 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

403 REMARK 900 YEAST HSP90 CHAPERONE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

404 REMARK 900 RELATED ID: 1AM1 RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

405 REMARK 900 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

406 REMARK 900 RELATED ID: 1AMW RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

407 REMARK 900 ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

408 REMARK 900 RELATED ID: 1BGQ RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

409 REMARK 900 RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

410 REMARK 900 THE YEAST HSP90 CHAPERONE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

411 REMARK 900 RELATED ID: 1HK7 RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

412 REMARK 900 MIDDLE DOMAIN OF HSP90

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

413 REMARK 900 RELATED ID: 1US7 RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

414 REMARK 900 COMPLEX OF HSP90 AND P50

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

415 REMARK 900 RELATED ID: 1USU RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

416 REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

417 REMARK 900 RELATED ID: 1USV RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

418 REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

419 REMARK 900 RELATED ID: 2BRE RELATED DB: PDB

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

420 REMARK 900 STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

421 REMARK 900 HSP90.

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

422 DBREF 2BRC A 1 214 UNP P02829 HSP82_YEAST 1 214

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

423 SEQRES 1 A 214 MET ALA SER GLU THR PHE GLU PHE GLN ALA GLU ILE THR

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

424 SEQRES 2 A 214 GLN LEU MET SER LEU ILE ILE ASN THR VAL TYR SER ASN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

425 SEQRES 3 A 214 LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

426 SEQRES 4 A 214 ASP ALA LEU ASP LYS ILE ARG TYR LYS SER LEU SER ASP

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

427 SEQRES 5 A 214 PRO LYS GLN LEU GLU THR GLU PRO ASP LEU PHE ILE ARG

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

428 SEQRES 6 A 214 ILE THR PRO LYS PRO GLU GLN LYS VAL LEU GLU ILE ARG

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

429 SEQRES 7 A 214 ASP SER GLY ILE GLY MET THR LYS ALA GLU LEU ILE ASN

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

430 SEQRES 8 A 214 ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA PHE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

431 SEQRES 9 A 214 MET GLU ALA LEU SER ALA GLY ALA ASP VAL SER MET ILE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

432 SEQRES 10 A 214 GLY GLN PHE GLY VAL GLY PHE TYR SER LEU PHE LEU VAL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

433 SEQRES 11 A 214 ALA ASP ARG VAL GLN VAL ILE SER LYS SER ASN ASP ASP

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

434 SEQRES 12 A 214 GLU GLN TYR ILE TRP GLU SER ASN ALA GLY GLY SER PHE

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

435 SEQRES 13 A 214 THR VAL THR LEU ASP GLU VAL ASN GLU ARG ILE GLY ARG

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

436 SEQRES 14 A 214 GLY THR ILE LEU ARG LEU PHE LEU LYS ASP ASP GLN LEU

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

437 SEQRES 15 A 214 GLU TYR LEU GLU GLU LYS ARG ILE LYS GLU VAL ILE LYS

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

438 SEQRES 16 A 214 ARG HIS SER GLU PHE VAL ALA TYR PRO ILE GLN LEU VAL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

439 SEQRES 17 A 214 VAL THR LYS GLU VAL GLU

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

440 HET CT5 A1215 26

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

441 HETNAM CT5 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

442 HETNAM 2 CT5 PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

443 FORMUL 2 CT5 C20 H20 N2 O4

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

444 FORMUL 3 HOH *258(H2 O)

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

445 HELIX 1 1 GLN A 9 THR A 22 1 14

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

446 HELIX 2 2 GLU A 28 LEU A 50 1 23

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

447 HELIX 3 3 ASP A 52 GLU A 57 5 6

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

448 HELIX 4 4 PRO A 70 GLN A 72 5 3

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

449 HELIX 5 5 THR A 85 THR A 95 1 11

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

450 HELIX 6 6 ALA A 97 GLY A 111 1 15

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

451 HELIX 7 7 ASP A 113 GLY A 121 5 9

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

452 HELIX 8 8 VAL A 122 LEU A 129 5 8

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

453 HELIX 9 9 GLN A 181 LEU A 185 5 5

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

454 HELIX 10 10 GLU A 186 SER A 198 1 13

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

455 SHEET 1 AA 8 GLU A 4 GLU A 7 0

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

456 SHEET 2 AA 8 SER A 155 LEU A 160 -1 O PHE A 156 N PHE A 6

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

457 SHEET 3 AA 8 TYR A 146 SER A 150 -1 O ILE A 147 N THR A 159

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

458 SHEET 4 AA 8 ALA A 131 LYS A 139 -1 O VAL A 134 N SER A 150

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

459 SHEET 5 AA 8 GLY A 170 LEU A 177 -1 O GLY A 170 N LYS A 139

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

460 SHEET 6 AA 8 VAL A 74 ASP A 79 -1 O LEU A 75 N LEU A 175

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

461 SHEET 7 AA 8 ILE A 64 LYS A 69 -1 O ARG A 65 N ARG A 78

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

462 SHEET 8 AA 8 ILE A 205 LEU A 207 1 O GLN A 206 N ILE A 66

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

463 SITE 1 AC1 13 ASN A 37 ASP A 40 ALA A 41 ASP A 79

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

464 SITE 2 AC1 13 ILE A 82 GLY A 83 MET A 84 LEU A 93

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

465 SITE 3 AC1 13 PHE A 124 THR A 171 LEU A 173 HOH A2137

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

466 SITE 4 AC1 13 HOH A2258

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

467 CRYST1 74.001 74.001 110.792 90.00 90.00 90.00 P 43 2 2 8

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

468 ORIGX1 1.000000 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

469 ORIGX2 0.000000 1.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

470 ORIGX3 0.000000 0.000000 1.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

471 SCALE1 0.013513 0.000000 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

472 SCALE2 0.000000 0.013513 0.000000 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

473 SCALE3 0.000000 0.000000 0.009026 0.00000

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

474 ATOM 1 N MET A 1 33.050 12.973 3.916 1.00 39.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

475 ATOM 2 CA MET A 1 32.080 14.100 3.862 1.00 38.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

476 ATOM 3 C MET A 1 30.953 13.936 4.885 1.00 37.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

477 ATOM 4 O MET A 1 30.838 12.911 5.590 1.00 37.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

478 ATOM 5 CB MET A 1 31.526 14.308 2.438 1.00 38.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

479 ATOM 6 N ALA A 2 30.143 14.975 4.991 1.00 35.49 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

480 ATOM 7 CA ALA A 2 29.061 14.961 5.946 1.00 33.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

481 ATOM 8 C ALA A 2 27.916 14.113 5.410 1.00 31.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

482 ATOM 9 O ALA A 2 27.625 14.096 4.218 1.00 30.48 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

483 ATOM 10 CB ALA A 2 28.585 16.359 6.229 1.00 33.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

484 ATOM 11 N SER A 3 27.291 13.413 6.329 1.00 28.88 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

485 ATOM 12 CA SER A 3 26.114 12.628 6.050 1.00 26.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

486 ATOM 13 C SER A 3 24.897 13.548 6.013 1.00 25.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

487 ATOM 14 O SER A 3 24.903 14.616 6.635 1.00 27.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

488 ATOM 15 CB SER A 3 25.930 11.628 7.186 1.00 26.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

489 ATOM 16 OG SER A 3 27.070 10.778 7.297 1.00 29.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

490 ATOM 17 N GLU A 4 23.863 13.159 5.271 1.00 22.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

491 ATOM 18 CA GLU A 4 22.588 13.858 5.311 1.00 21.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

492 ATOM 19 C GLU A 4 21.595 12.891 5.949 1.00 20.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

493 ATOM 20 O GLU A 4 21.680 11.672 5.722 1.00 18.50 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

494 ATOM 21 CB GLU A 4 22.116 14.172 3.908 1.00 21.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

495 ATOM 22 CG GLU A 4 22.892 15.306 3.261 1.00 26.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

496 ATOM 23 CD GLU A 4 22.630 15.384 1.769 1.00 32.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

497 ATOM 24 OE1 GLU A 4 21.465 15.617 1.387 1.00 38.16 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

498 ATOM 25 OE2 GLU A 4 23.584 15.218 0.979 1.00 38.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

499 ATOM 26 N THR A 5 20.671 13.426 6.740 1.00 19.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

500 ATOM 27 CA THR A 5 19.715 12.600 7.462 1.00 19.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

501 ATOM 28 C THR A 5 18.312 12.789 6.889 1.00 19.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

502 ATOM 29 O THR A 5 17.901 13.921 6.561 1.00 20.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

503 ATOM 30 CB THR A 5 19.775 12.951 8.950 1.00 19.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

504 ATOM 31 OG1 THR A 5 21.094 12.635 9.456 1.00 22.43 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

505 ATOM 32 CG2 THR A 5 18.817 12.038 9.749 1.00 20.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

506 ATOM 33 N PHE A 6 17.570 11.685 6.771 1.00 17.16 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

507 ATOM 34 CA PHE A 6 16.219 11.691 6.196 1.00 18.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

508 ATOM 35 C PHE A 6 15.277 10.891 7.072 1.00 18.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

509 ATOM 36 O PHE A 6 15.706 9.976 7.751 1.00 19.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

510 ATOM 37 CB PHE A 6 16.222 11.038 4.820 1.00 18.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

511 ATOM 38 CG PHE A 6 17.102 11.720 3.856 1.00 18.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

512 ATOM 39 CD1 PHE A 6 18.460 11.409 3.840 1.00 19.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

513 ATOM 40 CD2 PHE A 6 16.606 12.683 2.970 1.00 20.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

514 ATOM 41 CE1 PHE A 6 19.305 12.036 2.947 1.00 20.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

515 ATOM 42 CE2 PHE A 6 17.477 13.329 2.083 1.00 20.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

516 ATOM 43 CZ PHE A 6 18.835 12.997 2.105 1.00 18.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

517 ATOM 44 N GLU A 7 14.000 11.235 7.054 1.00 19.84 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

518 ATOM 45 CA GLU A 7 13.026 10.478 7.815 1.00 20.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

519 ATOM 46 C GLU A 7 12.367 9.406 6.945 1.00 18.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

520 ATOM 47 O GLU A 7 11.979 9.660 5.773 1.00 19.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

521 ATOM 48 CB GLU A 7 11.936 11.421 8.358 1.00 22.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

522 ATOM 49 CG GLU A 7 11.461 11.020 9.746 1.00 31.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

523 ATOM 50 CD GLU A 7 10.354 11.905 10.307 1.00 38.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

524 ATOM 51 OE1 GLU A 7 10.102 13.015 9.752 1.00 42.43 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

525 ATOM 52 OE2 GLU A 7 9.709 11.470 11.301 1.00 42.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

526 ATOM 53 N PHE A 8 12.185 8.203 7.495 1.00 17.76 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

527 ATOM 54 CA PHE A 8 11.420 7.180 6.764 1.00 16.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

528 ATOM 55 C PHE A 8 9.939 7.518 6.766 1.00 16.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

529 ATOM 56 O PHE A 8 9.451 8.139 7.723 1.00 17.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

530 ATOM 57 CB PHE A 8 11.434 5.827 7.525 1.00 15.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

531 ATOM 58 CG PHE A 8 12.691 5.033 7.334 1.00 14.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

532 ATOM 59 CD1 PHE A 8 13.717 5.136 8.248 1.00 15.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

533 ATOM 60 CD2 PHE A 8 12.796 4.137 6.278 1.00 14.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

534 ATOM 61 CE1 PHE A 8 14.905 4.424 8.076 1.00 15.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

535 ATOM 62 CE2 PHE A 8 13.944 3.411 6.109 1.00 16.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

536 ATOM 63 CZ PHE A 8 14.987 3.529 7.018 1.00 14.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

537 ATOM 64 N GLN A 9 9.228 7.080 5.743 1.00 17.29 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

538 ATOM 65 CA GLN A 9 7.761 7.073 5.824 1.00 18.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

539 ATOM 66 C GLN A 9 7.390 6.260 7.074 1.00 18.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

540 ATOM 67 O GLN A 9 7.955 5.180 7.321 1.00 17.09 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

541 ATOM 68 CB GLN A 9 7.110 6.478 4.582 1.00 19.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

542 ATOM 69 CG GLN A 9 7.297 7.306 3.341 1.00 25.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

543 ATOM 70 CD GLN A 9 6.715 8.695 3.500 1.00 36.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

544 ATOM 71 OE1 GLN A 9 5.859 8.919 4.358 1.00 40.04 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

545 ATOM 72 NE2 GLN A 9 7.172 9.632 2.670 1.00 39.83 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

546 ATOM 73 N ALA A 10 6.427 6.741 7.875 1.00 18.03 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

547 ATOM 74 CA ALA A 10 6.229 6.140 9.195 1.00 18.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

548 ATOM 75 C ALA A 10 5.871 4.663 9.159 1.00 16.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

549 ATOM 76 O ALA A 10 6.261 3.930 10.041 1.00 15.94 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

550 ATOM 77 CB ALA A 10 5.146 6.919 9.974 1.00 18.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

551 ATOM 78 N GLU A 11 5.145 4.237 8.138 1.00 16.79 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

552 ATOM 79 CA GLU A 11 4.766 2.820 8.081 1.00 17.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

553 ATOM 80 C GLU A 11 5.978 1.910 7.879 1.00 16.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

554 ATOM 81 O GLU A 11 5.963 0.767 8.326 1.00 15.78 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

555 ATOM 82 CB GLU A 11 3.729 2.560 6.986 1.00 17.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

556 ATOM 83 CG GLU A 11 2.392 3.203 7.340 1.00 22.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

557 ATOM 84 CD GLU A 11 2.314 4.667 6.971 1.00 29.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

558 ATOM 85 OE1 GLU A 11 3.332 5.274 6.491 1.00 28.32 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

559 ATOM 86 OE2 GLU A 11 1.201 5.223 7.169 1.00 32.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

560 ATOM 87 N ILE A 12 7.024 2.412 7.229 1.00 16.67 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

561 ATOM 88 CA ILE A 12 8.258 1.607 7.104 1.00 15.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

562 ATOM 89 C ILE A 12 8.935 1.466 8.464 1.00 14.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

563 ATOM 90 O ILE A 12 9.411 0.400 8.826 1.00 14.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

564 ATOM 91 CB ILE A 12 9.201 2.230 6.076 1.00 15.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

565 ATOM 92 CG1 ILE A 12 8.477 2.372 4.738 1.00 16.65 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

566 ATOM 93 CG2 ILE A 12 10.476 1.327 5.877 1.00 16.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

567 ATOM 94 CD1 ILE A 12 9.313 3.089 3.666 1.00 16.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

568 ATOM 95 N THR A 13 8.939 2.548 9.250 1.00 13.97 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

569 ATOM 96 CA THR A 13 9.480 2.509 10.589 1.00 14.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

570 ATOM 97 C THR A 13 8.682 1.506 11.448 1.00 14.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

571 ATOM 98 O THR A 13 9.270 0.766 12.236 1.00 14.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

572 ATOM 99 CB THR A 13 9.360 3.911 11.197 1.00 14.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

573 ATOM 100 OG1 THR A 13 10.101 4.812 10.346 1.00 17.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

574 ATOM 101 CG2 THR A 13 10.061 3.970 12.538 1.00 15.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

575 ATOM 102 N GLN A 14 7.369 1.489 11.288 1.00 14.19 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

576 ATOM 103 CA GLN A 14 6.547 0.490 11.976 1.00 14.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

577 ATOM 104 C GLN A 14 6.941 -0.922 11.575 1.00 14.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

578 ATOM 105 O GLN A 14 7.160 -1.773 12.431 1.00 14.71 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

579 ATOM 106 CB GLN A 14 5.073 0.698 11.679 1.00 14.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

580 ATOM 107 CG GLN A 14 4.571 2.042 12.200 1.00 16.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

581 ATOM 108 CD GLN A 14 3.131 2.332 11.834 1.00 20.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

582 ATOM 109 OE1 GLN A 14 2.411 1.446 11.349 1.00 22.79 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

583 ATOM 110 NE2 GLN A 14 2.693 3.561 12.081 1.00 21.20 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

584 ATOM 111 N LEU A 15 7.094 -1.151 10.275 1.00 15.20 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

585 ATOM 112 CA LEU A 15 7.469 -2.503 9.837 1.00 15.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

586 ATOM 113 C LEU A 15 8.837 -2.917 10.374 1.00 15.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

587 ATOM 114 O LEU A 15 9.035 -4.039 10.865 1.00 14.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

588 ATOM 115 CB LEU A 15 7.370 -2.639 8.311 1.00 16.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

589 ATOM 116 CG LEU A 15 7.710 -4.099 7.905 1.00 17.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

590 ATOM 117 CD1 LEU A 15 6.805 -5.170 8.555 1.00 19.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

591 ATOM 118 CD2 LEU A 15 7.693 -4.207 6.394 1.00 22.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

592 ATOM 119 N MET A 16 9.801 -2.009 10.301 1.00 14.02 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

593 ATOM 120 CA MET A 16 11.142 -2.365 10.806 1.00 14.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

594 ATOM 121 C MET A 16 11.125 -2.749 12.270 1.00 14.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

595 ATOM 122 O MET A 16 11.873 -3.626 12.697 1.00 16.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

596 ATOM 123 CB MET A 16 12.140 -1.228 10.586 1.00 15.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

597 ATOM 124 CG MET A 16 12.434 -1.027 9.103 1.00 15.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

598 ATOM 125 SD MET A 16 13.743 0.161 8.798 1.00 14.62 S

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

599 ATOM 126 CE MET A 16 13.037 1.668 9.384 1.00 17.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

600 ATOM 127 N SER A 17 10.343 -2.009 13.045 1.00 15.41 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

601 ATOM 128 CA SER A 17 10.215 -2.248 14.485 1.00 16.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

602 ATOM 129 C SER A 17 9.645 -3.639 14.738 1.00 16.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

603 ATOM 130 O SER A 17 10.178 -4.379 15.584 1.00 18.39 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

604 ATOM 131 CB SER A 17 9.303 -1.172 15.113 1.00 17.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

605 ATOM 132 OG SER A 17 9.231 -1.370 16.546 1.00 20.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

606 ATOM 133 N LEU A 18 8.603 -4.007 14.009 1.00 17.24 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

607 ATOM 134 CA LEU A 18 7.993 -5.343 14.145 1.00 17.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

608 ATOM 135 C LEU A 18 8.999 -6.439 13.809 1.00 17.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

609 ATOM 136 O LEU A 18 9.127 -7.436 14.524 1.00 19.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

610 ATOM 137 CB LEU A 18 6.757 -5.487 13.252 1.00 18.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

611 ATOM 138 CG LEU A 18 5.539 -4.634 13.612 1.00 21.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

612 ATOM 139 CD1 LEU A 18 4.408 -4.815 12.618 1.00 23.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

613 ATOM 140 CD2 LEU A 18 5.097 -5.086 15.037 1.00 23.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

614 ATOM 141 N ILE A 19 9.801 -6.213 12.768 1.00 16.55 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

615 ATOM 142 CA ILE A 19 10.680 -7.277 12.291 1.00 15.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

616 ATOM 143 C ILE A 19 11.904 -7.436 13.176 1.00 16.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

617 ATOM 144 O ILE A 19 12.377 -8.523 13.422 1.00 16.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

618 ATOM 145 CB ILE A 19 11.133 -6.976 10.845 1.00 14.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

619 ATOM 146 CG1 ILE A 19 9.936 -7.046 9.942 1.00 14.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

620 ATOM 147 CG2 ILE A 19 12.211 -7.997 10.371 1.00 16.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

621 ATOM 148 CD1 ILE A 19 10.251 -6.792 8.496 1.00 19.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

622 ATOM 149 N ILE A 20 12.510 -6.307 13.585 1.00 16.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

623 ATOM 150 CA ILE A 20 13.705 -6.384 14.410 1.00 16.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

624 ATOM 151 C ILE A 20 13.364 -7.000 15.756 1.00 17.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

625 ATOM 152 O ILE A 20 14.210 -7.635 16.362 1.00 18.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

626 ATOM 153 CB ILE A 20 14.446 -5.021 14.561 1.00 17.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

627 ATOM 154 CG1 ILE A 20 15.902 -5.254 14.988 1.00 16.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

628 ATOM 155 CG2 ILE A 20 13.671 -4.065 15.543 1.00 18.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

629 ATOM 156 CD1 ILE A 20 16.736 -3.966 15.023 1.00 19.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

630 ATOM 157 N ASN A 21 12.111 -6.837 16.183 1.00 18.15 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

631 ATOM 158 CA ASN A 21 11.735 -7.389 17.489 1.00 20.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

632 ATOM 159 C ASN A 21 11.055 -8.749 17.473 1.00 21.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

633 ATOM 160 O ASN A 21 10.930 -9.372 18.538 1.00 22.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

634 ATOM 161 CB ASN A 21 10.848 -6.376 18.245 1.00 19.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

635 ATOM 162 CG ASN A 21 11.635 -5.173 18.763 1.00 19.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

636 ATOM 163 OD1 ASN A 21 12.554 -5.326 19.584 1.00 26.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

637 ATOM 164 ND2 ASN A 21 11.325 -3.977 18.255 1.00 21.02 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

638 ATOM 165 N THR A 22 10.597 -9.236 16.315 1.00 20.09 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

639 ATOM 166 CA THR A 22 9.792 -10.438 16.337 1.00 20.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

640 ATOM 167 C THR A 22 10.554 -11.666 16.755 1.00 21.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

641 ATOM 168 O THR A 22 11.758 -11.820 16.475 1.00 20.89 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

642 ATOM 169 CB THR A 22 9.130 -10.655 15.002 1.00 21.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

643 ATOM 170 OG1 THR A 22 8.375 -11.870 15.047 1.00 21.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

644 ATOM 171 CG2 THR A 22 10.194 -10.923 13.921 1.00 20.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

645 ATOM 172 N VAL A 23 9.836 -12.584 17.401 1.00 21.53 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

646 ATOM 173 CA VAL A 23 10.480 -13.833 17.786 1.00 22.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

647 ATOM 174 C VAL A 23 10.234 -14.961 16.787 1.00 22.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

648 ATOM 175 O VAL A 23 10.479 -16.119 17.085 1.00 22.96 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

649 ATOM 176 CB VAL A 23 10.118 -14.284 19.247 1.00 22.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

650 ATOM 177 CG1 VAL A 23 10.649 -13.294 20.267 1.00 23.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

651 ATOM 178 CG2 VAL A 23 8.631 -14.518 19.381 1.00 24.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

652 ATOM 179 N TYR A 24 9.757 -14.616 15.591 1.00 21.82 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

653 ATOM 180 CA TYR A 24 9.594 -15.556 14.468 1.00 22.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

654 ATOM 181 C TYR A 24 10.749 -16.555 14.358 1.00 22.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

655 ATOM 182 O TYR A 24 11.929 -16.165 14.391 1.00 24.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

656 ATOM 183 CB TYR A 24 9.524 -14.715 13.173 1.00 22.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

657 ATOM 184 CG TYR A 24 9.316 -15.501 11.903 1.00 22.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

658 ATOM 185 CD1 TYR A 24 8.089 -16.162 11.643 1.00 22.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

659 ATOM 186 CD2 TYR A 24 10.332 -15.603 10.963 1.00 20.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

660 ATOM 187 CE1 TYR A 24 7.899 -16.860 10.471 1.00 21.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

661 ATOM 188 CE2 TYR A 24 10.157 -16.316 9.787 1.00 23.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

662 ATOM 189 CZ TYR A 24 8.944 -16.941 9.548 1.00 23.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

663 ATOM 190 OH TYR A 24 8.760 -17.642 8.390 1.00 23.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

664 ATOM 191 N SER A 25 10.431 -17.835 14.208 1.00 23.15 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

665 ATOM 192 CA SER A 25 11.454 -18.855 14.244 1.00 25.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

666 ATOM 193 C SER A 25 12.383 -18.922 13.024 1.00 24.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

667 ATOM 194 O SER A 25 13.599 -19.047 13.167 1.00 27.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

668 ATOM 195 CB SER A 25 10.823 -20.237 14.485 1.00 25.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

669 ATOM 196 OG SER A 25 10.036 -20.633 13.378 1.00 31.33 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

670 ATOM 197 N ASN A 26 11.798 -18.803 11.838 1.00 23.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

671 ATOM 198 CA ASN A 26 12.496 -19.085 10.593 1.00 22.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

672 ATOM 199 C ASN A 26 13.247 -17.877 10.025 1.00 21.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

673 ATOM 200 O ASN A 26 12.992 -17.475 8.889 1.00 21.66 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

674 ATOM 201 CB ASN A 26 11.544 -19.663 9.550 1.00 24.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

675 ATOM 202 CG ASN A 26 12.270 -20.539 8.497 1.00 28.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

676 ATOM 203 OD1 ASN A 26 13.306 -21.164 8.787 1.00 38.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

677 ATOM 204 ND2 ASN A 26 11.720 -20.593 7.290 1.00 36.26 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

678 ATOM 205 N LYS A 27 14.176 -17.357 10.812 1.00 20.46 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

679 ATOM 206 CA LYS A 27 14.887 -16.108 10.416 1.00 19.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

680 ATOM 207 C LYS A 27 15.671 -16.267 9.129 1.00 19.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

681 ATOM 208 O LYS A 27 15.891 -15.253 8.412 1.00 17.92 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

682 ATOM 209 CB LYS A 27 15.768 -15.579 11.552 1.00 19.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

683 ATOM 210 CG LYS A 27 14.969 -15.026 12.730 1.00 22.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

684 ATOM 211 CD LYS A 27 15.824 -14.970 13.974 1.00 27.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

685 ATOM 212 CE LYS A 27 15.074 -14.344 15.172 1.00 32.92 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

686 ATOM 213 NZ LYS A 27 15.235 -12.881 15.161 1.00 27.85 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

687 ATOM 214 N GLU A 28 16.016 -17.502 8.765 1.00 19.23 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

688 ATOM 215 CA GLU A 28 16.848 -17.692 7.578 1.00 18.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

689 ATOM 216 C GLU A 28 16.212 -17.196 6.255 1.00 19.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

690 ATOM 217 O GLU A 28 16.907 -17.053 5.241 1.00 18.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

691 ATOM 218 CB GLU A 28 17.256 -19.175 7.445 1.00 19.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

692 ATOM 219 CG GLU A 28 16.147 -20.029 6.898 1.00 21.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

693 ATOM 220 CD GLU A 28 16.495 -21.511 6.935 1.00 27.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

694 ATOM 221 OE1 GLU A 28 17.064 -21.954 7.950 1.00 31.50 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

695 ATOM 222 OE2 GLU A 28 16.189 -22.218 5.965 1.00 29.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

696 ATOM 223 N ILE A 29 14.903 -16.924 6.253 1.00 18.52 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

697 ATOM 224 CA ILE A 29 14.232 -16.474 5.048 1.00 19.25 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

698 ATOM 225 C ILE A 29 14.761 -15.121 4.554 1.00 16.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

699 ATOM 226 O ILE A 29 14.521 -14.730 3.416 1.00 17.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

700 ATOM 227 CB ILE A 29 12.685 -16.398 5.258 1.00 21.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

701 ATOM 228 CG1 ILE A 29 12.322 -15.367 6.301 1.00 23.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

702 ATOM 229 CG2 ILE A 29 12.130 -17.761 5.592 1.00 24.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

703 ATOM 230 CD1 ILE A 29 11.831 -14.115 5.693 1.00 30.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

704 ATOM 231 N PHE A 30 15.473 -14.416 5.409 1.00 15.77 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

705 ATOM 232 CA PHE A 30 15.999 -13.123 4.971 1.00 15.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

706 ATOM 233 C PHE A 30 16.868 -13.300 3.733 1.00 14.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

707 ATOM 234 O PHE A 30 16.874 -12.453 2.841 1.00 14.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

708 ATOM 235 CB PHE A 30 16.804 -12.414 6.068 1.00 14.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

709 ATOM 236 CG PHE A 30 18.227 -12.889 6.186 1.00 15.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

710 ATOM 237 CD1 PHE A 30 19.266 -12.200 5.563 1.00 15.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

711 ATOM 238 CD2 PHE A 30 18.526 -14.040 6.899 1.00 16.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

712 ATOM 239 CE1 PHE A 30 20.573 -12.675 5.658 1.00 15.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

713 ATOM 240 CE2 PHE A 30 19.818 -14.529 6.997 1.00 17.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

714 ATOM 241 CZ PHE A 30 20.876 -13.831 6.366 1.00 16.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

715 ATOM 242 N LEU A 31 17.628 -14.392 3.701 1.00 14.51 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

716 ATOM 243 CA LEU A 31 18.619 -14.550 2.601 1.00 14.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

717 ATOM 244 C LEU A 31 17.935 -14.729 1.252 1.00 15.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

718 ATOM 245 O LEU A 31 18.366 -14.182 0.246 1.00 15.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

719 ATOM 246 CB LEU A 31 19.615 -15.677 2.935 1.00 14.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

720 ATOM 247 CG LEU A 31 20.798 -15.661 1.967 1.00 16.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

721 ATOM 248 CD1 LEU A 31 21.592 -14.382 2.076 1.00 18.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

722 ATOM 249 CD2 LEU A 31 21.707 -16.842 2.335 1.00 19.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

723 ATOM 250 N ARG A 32 16.866 -15.510 1.217 1.00 14.66 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

724 ATOM 251 CA ARG A 32 16.105 -15.591 -0.015 1.00 15.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

725 ATOM 252 C ARG A 32 15.599 -14.266 -0.527 1.00 15.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

726 ATOM 253 O ARG A 32 15.628 -13.961 -1.707 1.00 14.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

727 ATOM 254 CB ARG A 32 14.931 -16.544 0.192 1.00 17.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

728 ATOM 255 CG ARG A 32 14.060 -16.647 -1.006 1.00 21.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

729 ATOM 256 N GLU A 33 15.102 -13.432 0.375 1.00 14.07 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

730 ATOM 257 CA GLU A 33 14.563 -12.176 -0.092 1.00 13.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

731 ATOM 258 C GLU A 33 15.666 -11.268 -0.622 1.00 12.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

732 ATOM 259 O GLU A 33 15.479 -10.556 -1.570 1.00 14.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

733 ATOM 260 CB GLU A 33 13.825 -11.436 1.033 1.00 14.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

734 ATOM 261 CG GLU A 33 12.642 -12.229 1.563 1.00 17.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

735 ATOM 262 CD GLU A 33 11.572 -12.404 0.510 1.00 20.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

736 ATOM 263 OE1 GLU A 33 11.467 -11.604 -0.413 1.00 20.09 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

737 ATOM 264 OE2 GLU A 33 10.889 -13.467 0.567 1.00 24.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

738 ATOM 265 N LEU A 34 16.824 -11.287 0.015 1.00 13.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

739 ATOM 266 CA LEU A 34 17.891 -10.392 -0.456 1.00 12.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

740 ATOM 267 C LEU A 34 18.503 -10.935 -1.771 1.00 12.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

741 ATOM 268 O LEU A 34 18.916 -10.154 -2.649 1.00 12.65 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

742 ATOM 269 CB LEU A 34 18.940 -10.227 0.644 1.00 12.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

743 ATOM 270 CG LEU A 34 18.466 -9.646 1.990 1.00 12.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

744 ATOM 271 CD1 LEU A 34 19.716 -9.397 2.845 1.00 14.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

745 ATOM 272 CD2 LEU A 34 17.688 -8.346 1.788 1.00 13.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

746 ATOM 273 N ILE A 35 18.556 -12.262 -1.921 1.00 12.47 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

747 ATOM 274 CA ILE A 35 19.039 -12.848 -3.183 1.00 12.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

748 ATOM 275 C ILE A 35 18.034 -12.523 -4.304 1.00 13.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

749 ATOM 276 O ILE A 35 18.399 -12.159 -5.407 1.00 13.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

750 ATOM 277 CB ILE A 35 19.287 -14.370 -3.030 1.00 12.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

751 ATOM 278 CG1 ILE A 35 20.522 -14.589 -2.177 1.00 13.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

752 ATOM 279 CG2 ILE A 35 19.378 -15.023 -4.483 1.00 12.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

753 ATOM 280 CD1 ILE A 35 20.810 -16.071 -1.854 1.00 16.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

754 ATOM 281 N SER A 36 16.764 -12.596 -3.974 1.00 14.35 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

755 ATOM 282 CA SER A 36 15.734 -12.221 -4.937 1.00 13.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

756 ATOM 283 C SER A 36 15.874 -10.755 -5.382 1.00 14.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

757 ATOM 284 O SER A 36 15.782 -10.423 -6.584 1.00 14.23 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

758 ATOM 285 CB SER A 36 14.358 -12.432 -4.293 1.00 16.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

759 ATOM 286 OG SER A 36 13.375 -12.084 -5.239 1.00 21.10 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

760 ATOM 287 N ASN A 37 16.092 -9.845 -4.422 1.00 13.05 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

761 ATOM 288 CA ASN A 37 16.265 -8.459 -4.810 1.00 12.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

762 ATOM 289 C ASN A 37 17.497 -8.223 -5.690 1.00 13.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

763 ATOM 290 O ASN A 37 17.456 -7.431 -6.621 1.00 13.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

764 ATOM 291 CB ASN A 37 16.388 -7.582 -3.559 1.00 13.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

765 ATOM 292 CG ASN A 37 15.069 -7.371 -2.840 1.00 17.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

766 ATOM 293 OD1 ASN A 37 15.033 -6.613 -1.866 1.00 23.35 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

767 ATOM 294 ND2 ASN A 37 14.028 -8.001 -3.271 1.00 16.49 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

768 ATOM 295 N ALA A 38 18.584 -8.907 -5.326 1.00 12.77 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

769 ATOM 296 CA ALA A 38 19.815 -8.876 -6.125 1.00 13.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

770 ATOM 297 C ALA A 38 19.535 -9.340 -7.553 1.00 12.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

771 ATOM 298 O ALA A 38 19.988 -8.695 -8.507 1.00 12.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

772 ATOM 299 CB ALA A 38 20.902 -9.742 -5.476 1.00 13.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

773 ATOM 300 N SER A 39 18.824 -10.448 -7.656 1.00 13.06 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

774 ATOM 301 CA SER A 39 18.500 -11.003 -8.988 1.00 12.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

775 ATOM 302 C SER A 39 17.668 -10.003 -9.769 1.00 13.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

776 ATOM 303 O SER A 39 17.896 -9.778 -10.955 1.00 13.96 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

777 ATOM 304 CB SER A 39 17.768 -12.340 -8.805 1.00 14.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

778 ATOM 305 OG SER A 39 17.439 -12.927 -10.093 1.00 17.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

779 ATOM 306 N ASP A 40 16.714 -9.364 -9.110 1.00 13.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

780 ATOM 307 CA ASP A 40 15.893 -8.381 -9.796 1.00 14.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

781 ATOM 308 C ASP A 40 16.747 -7.228 -10.322 1.00 14.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

782 ATOM 309 O ASP A 40 16.553 -6.715 -11.410 1.00 13.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

783 ATOM 310 CB ASP A 40 14.834 -7.840 -8.854 1.00 16.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

784 ATOM 311 CG ASP A 40 13.750 -8.871 -8.539 1.00 20.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

785 ATOM 312 OD1 ASP A 40 13.700 -9.955 -9.196 1.00 26.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

786 ATOM 313 OD2 ASP A 40 12.878 -8.665 -7.660 1.00 26.67 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

787 ATOM 314 N ALA A 41 17.719 -6.761 -9.513 1.00 12.23 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

788 ATOM 315 CA ALA A 41 18.537 -5.647 -9.954 1.00 11.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

789 ATOM 316 C ALA A 41 19.427 -6.029 -11.116 1.00 12.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

790 ATOM 317 O ALA A 41 19.742 -5.187 -11.971 1.00 12.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

791 ATOM 318 CB ALA A 41 19.432 -5.156 -8.748 1.00 13.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

792 ATOM 319 N LEU A 42 19.865 -7.290 -11.128 1.00 11.91 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

793 ATOM 320 CA LEU A 42 20.674 -7.797 -12.243 1.00 11.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

794 ATOM 321 C LEU A 42 19.749 -7.920 -13.504 1.00 11.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

795 ATOM 322 O LEU A 42 20.170 -7.626 -14.625 1.00 13.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

796 ATOM 323 CB LEU A 42 21.217 -9.177 -11.867 1.00 11.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

797 ATOM 324 CG LEU A 42 22.425 -9.047 -10.930 1.00 10.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

798 ATOM 325 CD1 LEU A 42 22.603 -10.336 -10.157 1.00 10.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

799 ATOM 326 CD2 LEU A 42 23.702 -8.749 -11.716 1.00 12.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

800 ATOM 327 N ASP A 43 18.505 -8.314 -13.300 1.00 12.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

801 ATOM 328 CA ASP A 43 17.550 -8.346 -14.413 1.00 14.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

802 ATOM 329 C ASP A 43 17.472 -6.988 -15.010 1.00 14.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

803 ATOM 330 O ASP A 43 17.430 -6.823 -16.223 1.00 14.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

804 ATOM 331 CB ASP A 43 16.183 -8.851 -13.984 1.00 14.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

805 ATOM 332 CG ASP A 43 16.116 -10.337 -13.724 1.00 15.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

806 ATOM 333 OD1 ASP A 43 15.049 -10.695 -13.145 1.00 19.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

807 ATOM 334 OD2 ASP A 43 17.016 -11.183 -14.007 1.00 16.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

808 ATOM 335 N LYS A 44 17.408 -5.979 -14.150 1.00 13.53 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

809 ATOM 336 CA LYS A 44 17.230 -4.615 -14.651 1.00 14.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

810 ATOM 337 C LYS A 44 18.400 -4.117 -15.496 1.00 14.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

811 ATOM 338 O LYS A 44 18.200 -3.518 -16.552 1.00 14.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

812 ATOM 339 CB LYS A 44 16.846 -3.598 -13.544 1.00 14.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

813 ATOM 340 CG LYS A 44 15.539 -3.893 -12.801 1.00 20.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

814 ATOM 341 CD LYS A 44 14.353 -4.070 -13.683 1.00 29.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

815 ATOM 342 CE LYS A 44 13.036 -3.998 -12.860 1.00 34.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

816 ATOM 343 NZ LYS A 44 12.369 -5.335 -12.692 1.00 35.02 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

817 ATOM 344 N ILE A 45 19.626 -4.362 -15.059 1.00 12.95 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

818 ATOM 345 CA ILE A 45 20.735 -3.896 -15.872 1.00 14.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

819 ATOM 346 C ILE A 45 20.852 -4.701 -17.175 1.00 14.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

820 ATOM 347 O ILE A 45 21.233 -4.101 -18.198 1.00 15.02 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

821 ATOM 348 CB ILE A 45 22.056 -3.855 -15.090 1.00 14.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

822 ATOM 349 CG1 ILE A 45 23.162 -3.181 -15.927 1.00 15.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

823 ATOM 350 CG2 ILE A 45 22.423 -5.236 -14.629 1.00 16.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

824 ATOM 351 CD1 ILE A 45 22.910 -1.689 -16.070 1.00 18.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

825 ATOM 352 N ARG A 46 20.508 -5.989 -17.141 1.00 14.66 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

826 ATOM 353 CA ARG A 46 20.579 -6.808 -18.364 1.00 16.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

827 ATOM 354 C ARG A 46 19.556 -6.247 -19.347 1.00 15.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

828 ATOM 355 O ARG A 46 19.843 -6.064 -20.535 1.00 16.23 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

829 ATOM 356 CB ARG A 46 20.245 -8.253 -18.050 1.00 17.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

830 ATOM 357 CG ARG A 46 20.530 -9.253 -19.145 1.00 24.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

831 ATOM 358 CD ARG A 46 20.930 -10.638 -18.524 1.00 28.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

832 ATOM 359 NE ARG A 46 19.873 -11.086 -17.618 1.00 33.89 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

833 ATOM 360 CZ ARG A 46 18.778 -11.691 -18.032 1.00 33.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

834 ATOM 361 NH1 ARG A 46 18.636 -11.951 -19.332 1.00 35.89 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

835 ATOM 362 NH2 ARG A 46 17.837 -12.064 -17.170 1.00 33.67 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

836 ATOM 363 N TYR A 47 18.358 -5.990 -18.855 1.00 14.80 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

837 ATOM 364 CA TYR A 47 17.297 -5.490 -19.747 1.00 14.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

838 ATOM 365 C TYR A 47 17.651 -4.098 -20.298 1.00 14.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

839 ATOM 366 O TYR A 47 17.504 -3.809 -21.513 1.00 16.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

840 ATOM 367 CB TYR A 47 15.953 -5.448 -19.003 1.00 13.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

841 ATOM 368 CG TYR A 47 14.805 -5.177 -19.933 1.00 14.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

842 ATOM 369 CD1 TYR A 47 14.095 -6.205 -20.490 1.00 17.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

843 ATOM 370 CD2 TYR A 47 14.443 -3.880 -20.181 1.00 16.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

844 ATOM 371 CE1 TYR A 47 13.040 -5.905 -21.377 1.00 20.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

845 ATOM 372 CE2 TYR A 47 13.412 -3.580 -21.027 1.00 20.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

846 ATOM 373 CZ TYR A 47 12.735 -4.594 -21.596 1.00 19.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

847 ATOM 374 OH TYR A 47 11.705 -4.176 -22.427 1.00 27.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

848 ATOM 375 N LYS A 48 18.162 -3.216 -19.436 1.00 13.95 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

849 ATOM 376 CA LYS A 48 18.519 -1.879 -19.871 1.00 14.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

850 ATOM 377 C LYS A 48 19.582 -1.965 -20.949 1.00 15.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

851 ATOM 378 O LYS A 48 19.540 -1.200 -21.937 1.00 17.33 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

852 ATOM 379 CB LYS A 48 19.000 -1.017 -18.683 1.00 16.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

853 ATOM 380 CG LYS A 48 19.371 0.429 -19.050 1.00 17.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

854 ATOM 381 CD LYS A 48 19.813 1.160 -17.800 1.00 23.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

855 ATOM 382 CE LYS A 48 19.836 2.668 -17.965 1.00 28.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

856 ATOM 383 NZ LYS A 48 19.344 3.214 -16.637 1.00 30.37 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

857 ATOM 384 N SER A 49 20.498 -2.915 -20.810 1.00 15.95 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

858 ATOM 385 CA SER A 49 21.632 -3.040 -21.710 1.00 16.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

859 ATOM 386 C SER A 49 21.223 -3.556 -23.104 1.00 16.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

860 ATOM 387 O SER A 49 22.049 -3.487 -24.018 1.00 18.21 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

861 ATOM 388 CB SER A 49 22.712 -3.971 -21.115 1.00 19.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

862 ATOM 389 OG SER A 49 22.367 -5.349 -21.248 1.00 24.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

863 ATOM 390 N LEU A 50 20.009 -4.083 -23.243 1.00 17.32 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

864 ATOM 391 CA LEU A 50 19.537 -4.568 -24.555 1.00 17.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

865 ATOM 392 C LEU A 50 19.563 -3.447 -25.555 1.00 18.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

866 ATOM 393 O LEU A 50 19.818 -3.659 -26.718 1.00 19.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

867 ATOM 394 CB LEU A 50 18.087 -5.058 -24.466 1.00 17.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

868 ATOM 395 CG LEU A 50 17.910 -6.349 -23.712 1.00 17.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

869 ATOM 396 CD1 LEU A 50 16.418 -6.638 -23.599 1.00 21.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

870 ATOM 397 CD2 LEU A 50 18.650 -7.488 -24.415 1.00 22.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

871 ATOM 398 N SER A 51 19.301 -2.242 -25.088 1.00 18.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

872 ATOM 399 CA SER A 51 19.308 -1.058 -25.958 1.00 18.25 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

873 ATOM 400 C SER A 51 20.368 -0.026 -25.629 1.00 20.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

874 ATOM 401 O SER A 51 20.533 0.979 -26.326 1.00 21.20 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

875 ATOM 402 CB SER A 51 17.944 -0.380 -25.935 1.00 20.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

876 ATOM 403 OG SER A 51 16.959 -1.243 -26.460 1.00 22.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

877 ATOM 404 N ASP A 52 21.211 -0.319 -24.638 1.00 20.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

878 ATOM 405 CA ASP A 52 22.284 0.598 -24.236 1.00 20.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

879 ATOM 406 C ASP A 52 23.417 -0.314 -23.686 1.00 21.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

880 ATOM 407 O ASP A 52 23.678 -0.378 -22.482 1.00 20.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

881 ATOM 408 CB ASP A 52 21.731 1.542 -23.151 1.00 21.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

882 ATOM 409 CG ASP A 52 22.635 2.735 -22.863 1.00 21.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

883 ATOM 410 OD1 ASP A 52 23.785 2.778 -23.330 1.00 23.40 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

884 ATOM 411 OD2 ASP A 52 22.241 3.669 -22.139 1.00 26.89 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

885 ATOM 412 N PRO A 53 24.032 -1.080 -24.553 1.00 20.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

886 ATOM 413 CA PRO A 53 25.077 -2.043 -24.203 1.00 20.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

887 ATOM 414 C PRO A 53 26.261 -1.471 -23.397 1.00 21.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

888 ATOM 415 O PRO A 53 26.871 -2.219 -22.591 1.00 21.38 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

889 ATOM 416 CB PRO A 53 25.542 -2.563 -25.572 1.00 22.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

890 ATOM 417 CG PRO A 53 24.879 -1.646 -26.583 1.00 22.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

891 ATOM 418 CD PRO A 53 23.654 -1.169 -25.972 1.00 21.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

892 ATOM 419 N LYS A 54 26.569 -0.193 -23.565 1.00 21.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

893 ATOM 420 CA LYS A 54 27.712 0.367 -22.853 1.00 21.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

894 ATOM 421 C LYS A 54 27.440 0.332 -21.349 1.00 21.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

895 ATOM 422 O LYS A 54 28.371 0.388 -20.528 1.00 20.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

896 ATOM 423 CB LYS A 54 27.965 1.803 -23.276 1.00 22.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

897 ATOM 424 CG LYS A 54 29.345 2.276 -22.872 1.00 28.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

898 ATOM 425 N GLN A 55 26.180 0.202 -20.987 1.00 19.49 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

899 ATOM 426 CA GLN A 55 25.841 0.214 -19.554 1.00 18.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

900 ATOM 427 C GLN A 55 26.484 -0.922 -18.797 1.00 18.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

901 ATOM 428 O GLN A 55 26.635 -0.824 -17.555 1.00 17.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

902 ATOM 429 CB GLN A 55 24.329 0.202 -19.313 1.00 18.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

903 ATOM 430 CG GLN A 55 23.595 1.399 -19.882 1.00 19.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

904 ATOM 431 CD GLN A 55 23.429 2.547 -18.902 1.00 25.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

905 ATOM 432 OE1 GLN A 55 23.674 2.392 -17.696 1.00 23.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

906 ATOM 433 NE2 GLN A 55 22.977 3.692 -19.397 1.00 23.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

907 ATOM 434 N LEU A 56 26.775 -2.016 -19.475 1.00 17.43 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

908 ATOM 435 CA LEU A 56 27.393 -3.154 -18.815 1.00 17.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

909 ATOM 436 C LEU A 56 28.878 -2.947 -18.575 1.00 18.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

910 ATOM 437 O LEU A 56 29.459 -3.657 -17.754 1.00 19.36 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

911 ATOM 438 CB LEU A 56 27.215 -4.428 -19.654 1.00 18.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

912 ATOM 439 CG LEU A 56 25.807 -5.000 -19.689 1.00 18.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

913 ATOM 440 CD1 LEU A 56 25.687 -6.068 -20.820 1.00 22.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

914 ATOM 441 CD2 LEU A 56 25.490 -5.626 -18.309 1.00 22.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

915 ATOM 442 N GLU A 57 29.500 -2.003 -19.271 1.00 19.23 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

916 ATOM 443 CA GLU A 57 30.970 -1.890 -19.240 1.00 20.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

917 ATOM 444 C GLU A 57 31.592 -1.561 -17.889 1.00 20.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

918 ATOM 445 O GLU A 57 32.759 -1.873 -17.658 1.00 20.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

919 ATOM 446 CB GLU A 57 31.460 -0.893 -20.293 1.00 22.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

920 ATOM 447 CG GLU A 57 31.153 -1.356 -21.697 1.00 25.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

921 ATOM 448 CD GLU A 57 31.726 -0.397 -22.740 1.00 31.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

922 ATOM 449 OE1 GLU A 57 32.596 0.426 -22.388 1.00 35.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

923 ATOM 450 OE2 GLU A 57 31.303 -0.472 -23.912 1.00 36.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

924 ATOM 451 N THR A 58 30.803 -0.948 -17.009 1.00 18.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

925 ATOM 452 CA THR A 58 31.323 -0.612 -15.687 1.00 18.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

926 ATOM 453 C THR A 58 31.541 -1.826 -14.833 1.00 17.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

927 ATOM 454 O THR A 58 32.281 -1.768 -13.862 1.00 18.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

928 ATOM 455 CB THR A 58 30.380 0.313 -14.956 1.00 16.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

929 ATOM 456 OG1 THR A 58 29.037 -0.104 -15.221 1.00 17.30 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

930 ATOM 457 CG2 THR A 58 30.460 1.693 -15.554 1.00 19.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

931 ATOM 458 N GLU A 59 30.948 -2.952 -15.217 1.00 18.08 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

932 ATOM 459 CA GLU A 59 31.133 -4.223 -14.512 1.00 17.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

933 ATOM 460 C GLU A 59 30.465 -5.278 -15.358 1.00 18.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

934 ATOM 461 O GLU A 59 29.340 -5.693 -15.107 1.00 18.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

935 ATOM 462 CB GLU A 59 30.446 -4.174 -13.145 1.00 19.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

936 ATOM 463 CG GLU A 59 30.503 -5.516 -12.431 1.00 21.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

937 ATOM 464 CD GLU A 59 31.893 -6.104 -12.433 1.00 24.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

938 ATOM 465 OE1 GLU A 59 32.645 -5.796 -11.480 1.00 29.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

939 ATOM 466 OE2 GLU A 59 32.256 -6.862 -13.373 1.00 24.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

940 ATOM 467 N PRO A 60 31.236 -5.816 -16.300 1.00 18.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

941 ATOM 468 CA PRO A 60 30.693 -6.771 -17.261 1.00 19.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

942 ATOM 469 C PRO A 60 30.265 -8.084 -16.659 1.00 19.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

943 ATOM 470 O PRO A 60 29.477 -8.800 -17.276 1.00 21.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

944 ATOM 471 CB PRO A 60 31.862 -7.022 -18.236 1.00 19.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

945 ATOM 472 CG PRO A 60 32.881 -6.005 -17.936 1.00 21.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

946 ATOM 473 CD PRO A 60 32.672 -5.526 -16.503 1.00 19.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

947 ATOM 474 N ASP A 61 30.799 -8.435 -15.493 1.00 19.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

948 ATOM 475 CA ASP A 61 30.492 -9.706 -14.826 1.00 19.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

949 ATOM 476 C ASP A 61 29.175 -9.531 -14.026 1.00 19.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

950 ATOM 477 O ASP A 61 29.070 -8.618 -13.213 1.00 19.50 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

951 ATOM 478 CB ASP A 61 31.634 -10.065 -13.905 1.00 19.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

952 ATOM 479 CG ASP A 61 32.766 -10.796 -14.643 1.00 25.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

953 ATOM 480 OD1 ASP A 61 32.480 -11.291 -15.752 1.00 32.09 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

954 ATOM 481 OD2 ASP A 61 33.929 -10.846 -14.225 1.00 30.10 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

955 ATOM 482 N LEU A 62 28.200 -10.423 -14.281 1.00 17.71 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

956 ATOM 483 CA LEU A 62 26.872 -10.405 -13.599 1.00 16.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

957 ATOM 484 C LEU A 62 26.811 -11.503 -12.563 1.00 16.65 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

958 ATOM 485 O LEU A 62 26.804 -12.678 -12.901 1.00 17.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

959 ATOM 486 CB LEU A 62 25.729 -10.553 -14.595 1.00 17.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

960 ATOM 487 CG LEU A 62 25.738 -9.589 -15.774 1.00 19.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

961 ATOM 488 CD1 LEU A 62 24.442 -9.721 -16.546 1.00 24.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

962 ATOM 489 CD2 LEU A 62 25.902 -8.159 -15.283 1.00 24.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

963 ATOM 490 N PHE A 63 26.773 -11.121 -11.275 1.00 14.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

964 ATOM 491 CA PHE A 63 26.878 -12.095 -10.204 1.00 14.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

965 ATOM 492 C PHE A 63 26.203 -11.611 -8.922 1.00 12.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

966 ATOM 493 O PHE A 63 25.930 -10.413 -8.792 1.00 13.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

967 ATOM 494 CB PHE A 63 28.387 -12.375 -9.875 1.00 14.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

968 ATOM 495 CG PHE A 63 29.150 -11.134 -9.474 1.00 16.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

969 ATOM 496 CD1 PHE A 63 29.164 -10.714 -8.140 1.00 17.33 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

970 ATOM 497 CD2 PHE A 63 29.787 -10.349 -10.427 1.00 16.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

971 ATOM 498 CE1 PHE A 63 29.830 -9.560 -7.740 1.00 16.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

972 ATOM 499 CE2 PHE A 63 30.469 -9.164 -10.042 1.00 15.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

973 ATOM 500 CZ PHE A 63 30.486 -8.768 -8.681 1.00 17.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

974 ATOM 501 N ILE A 64 25.976 -12.569 -8.029 1.00 12.55 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

975 ATOM 502 CA ILE A 64 25.568 -12.290 -6.654 1.00 13.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

976 ATOM 503 C ILE A 64 26.701 -12.910 -5.817 1.00 14.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

977 ATOM 504 O ILE A 64 27.173 -14.025 -6.103 1.00 15.90 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

978 ATOM 505 CB ILE A 64 24.233 -12.954 -6.355 1.00 12.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

979 ATOM 506 CG1 ILE A 64 23.179 -12.381 -7.293 1.00 12.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

980 ATOM 507 CG2 ILE A 64 23.858 -12.751 -4.859 1.00 14.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

981 ATOM 508 CD1 ILE A 64 21.821 -13.108 -7.196 1.00 14.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

982 ATOM 509 N ARG A 65 27.182 -12.171 -4.815 1.00 13.37 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

983 ATOM 510 CA ARG A 65 28.352 -12.627 -4.070 1.00 13.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

984 ATOM 511 C ARG A 65 28.104 -12.417 -2.594 1.00 12.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

985 ATOM 512 O ARG A 65 27.690 -11.334 -2.176 1.00 13.38 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

986 ATOM 513 CB ARG A 65 29.597 -11.853 -4.532 1.00 13.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

987 ATOM 514 CG ARG A 65 30.881 -12.267 -3.777 1.00 15.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

988 ATOM 515 CD ARG A 65 32.138 -11.550 -4.320 1.00 18.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

989 ATOM 516 NE ARG A 65 32.254 -11.791 -5.760 1.00 20.69 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

990 ATOM 517 CZ ARG A 65 32.780 -10.952 -6.642 1.00 21.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

991 ATOM 518 NH1 ARG A 65 33.317 -9.790 -6.278 1.00 22.25 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

992 ATOM 519 NH2 ARG A 65 32.767 -11.312 -7.921 1.00 22.58 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

993 ATOM 520 N ILE A 66 28.331 -13.455 -1.800 1.00 12.08 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

994 ATOM 521 CA ILE A 66 28.068 -13.377 -0.382 1.00 12.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

995 ATOM 522 C ILE A 66 29.415 -13.499 0.344 1.00 13.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

996 ATOM 523 O ILE A 66 30.131 -14.475 0.107 1.00 13.10 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

997 ATOM 524 CB ILE A 66 27.113 -14.529 0.018 1.00 12.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

998 ATOM 525 CG1 ILE A 66 25.767 -14.304 -0.700 1.00 16.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

999 ATOM 526 CG2 ILE A 66 26.908 -14.541 1.518 1.00 13.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1000 ATOM 527 CD1 ILE A 66 24.900 -15.521 -0.616 1.00 20.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1001 ATOM 528 N THR A 67 29.736 -12.546 1.224 1.00 12.90 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1002 ATOM 529 CA THR A 67 31.015 -12.476 1.966 1.00 13.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1003 ATOM 530 C THR A 67 30.788 -12.327 3.447 1.00 14.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1004 ATOM 531 O THR A 67 30.462 -11.243 3.934 1.00 12.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1005 ATOM 532 CB THR A 67 31.841 -11.273 1.485 1.00 13.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1006 ATOM 533 OG1 THR A 67 32.031 -11.340 0.065 1.00 14.65 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1007 ATOM 534 CG2 THR A 67 33.251 -11.338 2.061 1.00 12.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1008 ATOM 535 N PRO A 68 31.000 -13.388 4.211 1.00 15.08 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1009 ATOM 536 CA PRO A 68 30.992 -13.205 5.656 1.00 15.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1010 ATOM 537 C PRO A 68 32.274 -12.530 6.125 1.00 16.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1011 ATOM 538 O PRO A 68 33.354 -12.809 5.583 1.00 17.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1012 ATOM 539 CB PRO A 68 30.926 -14.642 6.216 1.00 16.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1013 ATOM 540 CG PRO A 68 31.182 -15.510 5.112 1.00 18.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1014 ATOM 541 CD PRO A 68 31.165 -14.783 3.795 1.00 16.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1015 ATOM 542 N LYS A 69 32.144 -11.632 7.087 1.00 16.62 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1016 ATOM 543 CA LYS A 69 33.264 -10.931 7.705 1.00 17.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1017 ATOM 544 C LYS A 69 33.165 -11.130 9.206 1.00 18.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1018 ATOM 545 O LYS A 69 32.718 -10.229 9.930 1.00 16.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1019 ATOM 546 CB LYS A 69 33.216 -9.454 7.355 1.00 17.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1020 ATOM 547 CG LYS A 69 33.457 -9.194 5.847 1.00 17.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1021 ATOM 548 CD LYS A 69 33.436 -7.691 5.570 1.00 18.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1022 ATOM 549 CE LYS A 69 33.964 -7.347 4.160 1.00 21.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1023 ATOM 550 NZ LYS A 69 33.957 -5.867 3.919 1.00 22.59 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1024 ATOM 551 N PRO A 70 33.626 -12.297 9.650 1.00 20.56 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1025 ATOM 552 CA PRO A 70 33.454 -12.729 11.055 1.00 22.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1026 ATOM 553 C PRO A 70 33.941 -11.728 12.090 1.00 23.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1027 ATOM 554 O PRO A 70 33.165 -11.417 12.995 1.00 24.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1028 ATOM 555 CB PRO A 70 34.241 -14.041 11.107 1.00 22.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1029 ATOM 556 CG PRO A 70 34.290 -14.544 9.686 1.00 24.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1030 ATOM 557 CD PRO A 70 34.316 -13.311 8.836 1.00 20.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1031 ATOM 558 N GLU A 71 35.157 -11.201 11.950 1.00 24.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1032 ATOM 559 CA GLU A 71 35.680 -10.283 12.947 1.00 25.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1033 ATOM 560 C GLU A 71 34.784 -9.077 13.183 1.00 25.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1034 ATOM 561 O GLU A 71 34.666 -8.604 14.296 1.00 26.65 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1035 ATOM 562 CB GLU A 71 37.086 -9.778 12.558 1.00 27.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1036 ATOM 563 N GLN A 72 34.125 -8.588 12.137 1.00 22.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1037 ATOM 564 CA GLN A 72 33.201 -7.466 12.306 1.00 21.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1038 ATOM 565 C GLN A 72 31.739 -7.891 12.529 1.00 19.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1039 ATOM 566 O GLN A 72 30.891 -7.010 12.685 1.00 20.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1040 ATOM 567 CB GLN A 72 33.262 -6.507 11.115 1.00 22.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1041 ATOM 568 CG GLN A 72 34.685 -6.033 10.771 1.00 27.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1042 ATOM 569 CD GLN A 72 35.270 -6.873 9.650 1.00 33.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1043 ATOM 570 OE1 GLN A 72 35.560 -8.056 9.850 1.00 35.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1044 ATOM 571 NE2 GLN A 72 35.374 -6.292 8.447 1.00 34.20 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1045 ATOM 572 N LYS A 73 31.474 -9.193 12.551 1.00 18.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1046 ATOM 573 CA LYS A 73 30.120 -9.693 12.708 1.00 17.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1047 ATOM 574 C LYS A 73 29.261 -9.132 11.621 1.00 15.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1048 ATOM 575 O LYS A 73 28.131 -8.692 11.842 1.00 17.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1049 ATOM 576 CB LYS A 73 29.529 -9.379 14.083 1.00 18.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1050 ATOM 577 CG LYS A 73 30.306 -10.125 15.214 1.00 21.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1051 ATOM 578 CD LYS A 73 29.596 -9.904 16.541 1.00 27.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1052 ATOM 579 CE LYS A 73 29.704 -8.451 16.961 1.00 33.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1053 ATOM 580 NZ LYS A 73 29.351 -8.261 18.413 1.00 38.37 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1054 ATOM 581 N VAL A 74 29.816 -9.171 10.426 1.00 15.70 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1055 ATOM 582 CA VAL A 74 29.104 -8.638 9.257 1.00 14.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1056 ATOM 583 C VAL A 74 28.897 -9.686 8.201 1.00 14.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1057 ATOM 584 O VAL A 74 29.743 -10.550 7.976 1.00 15.18 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1058 ATOM 585 CB VAL A 74 29.954 -7.488 8.690 1.00 15.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1059 ATOM 586 CG1 VAL A 74 29.681 -7.238 7.190 1.00 14.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1060 ATOM 587 CG2 VAL A 74 29.709 -6.217 9.504 1.00 13.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1061 ATOM 588 N LEU A 75 27.742 -9.644 7.526 1.00 12.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1062 ATOM 589 CA LEU A 75 27.534 -10.477 6.340 1.00 12.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1063 ATOM 590 C LEU A 75 27.226 -9.524 5.179 1.00 12.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1064 ATOM 591 O LEU A 75 26.321 -8.725 5.299 1.00 12.18 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1065 ATOM 592 CB LEU A 75 26.348 -11.410 6.532 1.00 12.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1066 ATOM 593 CG LEU A 75 26.035 -12.323 5.357 1.00 12.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1067 ATOM 594 CD1 LEU A 75 27.205 -13.294 5.066 1.00 14.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1068 ATOM 595 CD2 LEU A 75 24.774 -13.090 5.660 1.00 13.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1069 ATOM 596 N GLU A 76 27.993 -9.614 4.078 1.00 11.33 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1070 ATOM 597 CA GLU A 76 27.719 -8.757 2.900 1.00 11.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1071 ATOM 598 C GLU A 76 27.086 -9.542 1.777 1.00 11.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1072 ATOM 599 O GLU A 76 27.482 -10.667 1.514 1.00 12.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1073 ATOM 600 CB GLU A 76 29.029 -8.139 2.386 1.00 10.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1074 ATOM 601 CG GLU A 76 29.507 -7.032 3.305 1.00 12.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1075 ATOM 602 CD GLU A 76 30.767 -6.341 2.855 1.00 15.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1076 ATOM 603 OE1 GLU A 76 31.257 -6.634 1.744 1.00 15.58 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1077 ATOM 604 OE2 GLU A 76 31.262 -5.480 3.620 1.00 15.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1078 ATOM 605 N ILE A 77 26.102 -8.948 1.095 1.00 11.91 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1079 ATOM 606 CA ILE A 77 25.461 -9.586 -0.071 1.00 13.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1080 ATOM 607 C ILE A 77 25.593 -8.533 -1.154 1.00 12.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1081 ATOM 608 O ILE A 77 24.977 -7.461 -1.093 1.00 12.40 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1082 ATOM 609 CB ILE A 77 23.993 -9.832 0.176 1.00 14.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1083 ATOM 610 CG1 ILE A 77 23.820 -10.889 1.247 1.00 18.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1084 ATOM 611 CG2 ILE A 77 23.364 -10.499 -1.037 1.00 16.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1085 ATOM 612 CD1 ILE A 77 23.471 -10.294 2.495 1.00 22.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1086 ATOM 613 N ARG A 78 26.367 -8.886 -2.175 1.00 12.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1087 ATOM 614 CA ARG A 78 26.685 -7.951 -3.252 1.00 12.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1088 ATOM 615 C ARG A 78 26.074 -8.444 -4.548 1.00 12.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1089 ATOM 616 O ARG A 78 26.020 -9.640 -4.827 1.00 13.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1090 ATOM 617 CB ARG A 78 28.196 -7.931 -3.428 1.00 12.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1091 ATOM 618 CG ARG A 78 28.699 -7.121 -4.646 1.00 14.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1092 ATOM 619 CD ARG A 78 30.240 -6.831 -4.633 1.00 18.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1093 ATOM 620 NE ARG A 78 30.682 -6.055 -5.800 1.00 17.99 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1094 ATOM 621 CZ ARG A 78 31.898 -5.693 -5.988 1.00 20.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1095 ATOM 622 NH1 ARG A 78 32.840 -6.079 -5.116 1.00 24.76 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1096 ATOM 623 NH2 ARG A 78 32.205 -4.971 -7.055 1.00 25.64 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1097 ATOM 624 N ASP A 79 25.658 -7.498 -5.371 1.00 11.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1098 ATOM 625 CA ASP A 79 25.303 -7.872 -6.742 1.00 11.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1099 ATOM 626 C ASP A 79 25.909 -6.823 -7.659 1.00 11.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1100 ATOM 627 O ASP A 79 26.249 -5.694 -7.243 1.00 11.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1101 ATOM 628 CB ASP A 79 23.775 -7.954 -6.931 1.00 11.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1102 ATOM 629 CG ASP A 79 23.109 -6.650 -6.688 1.00 10.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1103 ATOM 630 OD1 ASP A 79 22.421 -6.453 -5.650 1.00 13.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1104 ATOM 631 OD2 ASP A 79 23.192 -5.712 -7.493 1.00 12.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1105 ATOM 632 N SER A 80 26.048 -7.197 -8.924 1.00 12.54 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1106 ATOM 633 CA SER A 80 26.479 -6.241 -9.949 1.00 12.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1107 ATOM 634 C SER A 80 25.266 -5.801 -10.803 1.00 12.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1108 ATOM 635 O SER A 80 25.356 -5.634 -12.038 1.00 12.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1109 ATOM 636 CB SER A 80 27.593 -6.810 -10.823 1.00 12.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1110 ATOM 637 OG SER A 80 27.229 -8.106 -11.306 1.00 13.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1111 ATOM 638 N GLY A 81 24.132 -5.628 -10.154 1.00 11.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1112 ATOM 639 CA GLY A 81 22.935 -5.097 -10.802 1.00 12.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1113 ATOM 640 C GLY A 81 22.996 -3.634 -11.141 1.00 10.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1114 ATOM 641 O GLY A 81 24.048 -3.016 -11.222 1.00 12.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1115 ATOM 642 N ILE A 82 21.803 -3.073 -11.371 1.00 11.99 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1116 ATOM 643 CA ILE A 82 21.710 -1.715 -11.871 1.00 13.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1117 ATOM 644 C ILE A 82 22.172 -0.663 -10.848 1.00 12.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1118 ATOM 645 O ILE A 82 22.531 0.450 -11.211 1.00 13.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1119 ATOM 646 CB ILE A 82 20.280 -1.455 -12.388 1.00 14.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1120 ATOM 647 CG1 ILE A 82 20.207 -0.140 -13.137 1.00 17.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1121 ATOM 648 CG2 ILE A 82 19.294 -1.463 -11.260 1.00 16.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1122 ATOM 649 CD1 ILE A 82 19.110 -0.202 -14.201 1.00 19.33 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1123 ATOM 650 N GLY A 83 22.220 -1.032 -9.562 1.00 12.09 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1124 ATOM 651 CA GLY A 83 22.608 -0.020 -8.600 1.00 12.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1125 ATOM 652 C GLY A 83 21.503 1.008 -8.337 1.00 13.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1126 ATOM 653 O GLY A 83 20.432 1.031 -8.986 1.00 13.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1127 ATOM 654 N MET A 84 21.794 1.937 -7.424 1.00 11.90 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1128 ATOM 655 CA MET A 84 20.880 3.012 -7.072 1.00 11.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1129 ATOM 656 C MET A 84 21.658 4.320 -6.913 1.00 12.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1130 ATOM 657 O MET A 84 22.675 4.336 -6.238 1.00 12.49 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1131 ATOM 658 CB MET A 84 20.185 2.707 -5.728 1.00 12.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1132 ATOM 659 CG MET A 84 19.116 1.619 -5.855 1.00 13.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1133 ATOM 660 SD MET A 84 18.376 1.198 -4.277 1.00 15.75 S

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1134 ATOM 661 CE MET A 84 19.571 0.058 -3.679 1.00 17.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1135 ATOM 662 N THR A 85 21.196 5.401 -7.556 1.00 12.06 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1136 ATOM 663 CA THR A 85 21.726 6.740 -7.329 1.00 11.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1137 ATOM 664 C THR A 85 21.335 7.215 -5.919 1.00 11.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1138 ATOM 665 O THR A 85 20.554 6.575 -5.209 1.00 12.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1139 ATOM 666 CB THR A 85 21.088 7.735 -8.306 1.00 12.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1140 ATOM 667 OG1 THR A 85 19.684 7.821 -8.029 1.00 15.14 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1141 ATOM 668 CG2 THR A 85 21.197 7.186 -9.704 1.00 12.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1142 ATOM 669 N LYS A 86 21.916 8.341 -5.495 1.00 12.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1143 ATOM 670 CA LYS A 86 21.531 8.917 -4.213 1.00 13.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1144 ATOM 671 C LYS A 86 20.010 9.078 -4.105 1.00 13.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1145 ATOM 672 O LYS A 86 19.403 8.679 -3.101 1.00 12.88 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1146 ATOM 673 CB LYS A 86 22.205 10.281 -4.047 1.00 13.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1147 ATOM 674 CG LYS A 86 21.924 10.940 -2.716 1.00 14.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1148 ATOM 675 CD LYS A 86 22.523 12.340 -2.674 1.00 17.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1149 ATOM 676 CE LYS A 86 22.196 12.983 -1.370 1.00 21.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1150 ATOM 677 NZ LYS A 86 22.725 14.374 -1.345 1.00 25.44 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1151 ATOM 678 N ALA A 87 19.405 9.638 -5.167 1.00 13.68 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1152 ATOM 679 CA ALA A 87 17.965 9.847 -5.136 1.00 14.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1153 ATOM 680 C ALA A 87 17.188 8.540 -5.080 1.00 13.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1154 ATOM 681 O ALA A 87 16.185 8.484 -4.388 1.00 14.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1155 ATOM 682 CB ALA A 87 17.524 10.660 -6.369 1.00 14.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1156 ATOM 683 N GLU A 88 17.675 7.511 -5.759 1.00 13.78 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1157 ATOM 684 CA GLU A 88 16.993 6.213 -5.722 1.00 13.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1158 ATOM 685 C GLU A 88 17.121 5.568 -4.357 1.00 12.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1159 ATOM 686 O GLU A 88 16.201 4.899 -3.874 1.00 14.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1160 ATOM 687 CB GLU A 88 17.519 5.291 -6.806 1.00 14.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1161 ATOM 688 CG GLU A 88 17.055 5.749 -8.190 1.00 15.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1162 ATOM 689 CD GLU A 88 17.705 5.029 -9.319 1.00 21.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1163 ATOM 690 OE1 GLU A 88 18.862 4.608 -9.227 1.00 15.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1164 ATOM 691 OE2 GLU A 88 17.057 4.951 -10.380 1.00 26.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1165 ATOM 692 N LEU A 89 18.282 5.729 -3.719 1.00 12.80 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1166 ATOM 693 CA LEU A 89 18.410 5.165 -2.378 1.00 12.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1167 ATOM 694 C LEU A 89 17.393 5.780 -1.434 1.00 14.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1168 ATOM 695 O LEU A 89 16.708 5.071 -0.678 1.00 15.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1169 ATOM 696 CB LEU A 89 19.820 5.440 -1.810 1.00 13.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1170 ATOM 697 CG LEU A 89 20.905 4.582 -2.450 1.00 11.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1171 ATOM 698 CD1 LEU A 89 22.276 5.147 -2.012 1.00 14.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1172 ATOM 699 CD2 LEU A 89 20.828 3.120 -1.998 1.00 12.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1173 ATOM 700 N ILE A 90 17.310 7.104 -1.459 1.00 14.92 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1174 ATOM 701 CA ILE A 90 16.364 7.816 -0.592 1.00 16.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1175 ATOM 702 C ILE A 90 14.937 7.364 -0.896 1.00 17.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1176 ATOM 703 O ILE A 90 14.174 7.006 0.031 1.00 18.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1177 ATOM 704 CB ILE A 90 16.525 9.287 -0.817 1.00 13.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1178 ATOM 705 CG1 ILE A 90 17.930 9.737 -0.379 1.00 16.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1179 ATOM 706 CG2 ILE A 90 15.428 10.112 -0.047 1.00 17.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1180 ATOM 707 CD1 ILE A 90 18.233 11.173 -0.798 1.00 16.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1181 ATOM 708 N ASN A 91 14.593 7.288 -2.176 1.00 17.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1182 ATOM 709 CA ASN A 91 13.230 6.926 -2.596 1.00 19.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1183 ATOM 710 C ASN A 91 12.907 5.447 -2.401 1.00 19.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1184 ATOM 711 O ASN A 91 11.871 5.096 -1.786 1.00 20.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1185 ATOM 712 CB ASN A 91 13.036 7.331 -4.075 1.00 19.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1186 ATOM 713 CG ASN A 91 11.552 7.244 -4.531 1.00 23.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1187 ATOM 714 OD1 ASN A 91 10.662 7.733 -3.840 1.00 26.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1188 ATOM 715 ND2 ASN A 91 11.309 6.615 -5.666 1.00 26.08 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1189 ATOM 716 N ASN A 92 13.749 4.572 -2.928 1.00 17.44 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1190 ATOM 717 CA ASN A 92 13.468 3.135 -2.893 1.00 18.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1191 ATOM 718 C ASN A 92 13.463 2.565 -1.493 1.00 18.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1192 ATOM 719 O ASN A 92 12.688 1.662 -1.191 1.00 19.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1193 ATOM 720 CB ASN A 92 14.475 2.342 -3.754 1.00 18.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1194 ATOM 721 CG ASN A 92 14.326 2.614 -5.242 1.00 20.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1195 ATOM 722 OD1 ASN A 92 13.386 3.298 -5.674 1.00 25.18 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1196 ATOM 723 ND2 ASN A 92 15.294 2.135 -6.029 1.00 20.73 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1197 ATOM 724 N LEU A 93 14.358 3.069 -0.643 1.00 16.10 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1198 ATOM 725 CA LEU A 93 14.523 2.480 0.680 1.00 15.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1199 ATOM 726 C LEU A 93 13.815 3.191 1.823 1.00 16.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1200 ATOM 727 O LEU A 93 13.507 2.587 2.866 1.00 16.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1201 ATOM 728 CB LEU A 93 16.009 2.280 0.982 1.00 14.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1202 ATOM 729 CG LEU A 93 16.784 1.547 -0.114 1.00 14.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1203 ATOM 730 CD1 LEU A 93 18.242 1.424 0.293 1.00 14.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1204 ATOM 731 CD2 LEU A 93 16.203 0.130 -0.341 1.00 17.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1205 ATOM 732 N GLY A 94 13.553 4.485 1.636 1.00 16.50 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1206 ATOM 733 CA GLY A 94 12.895 5.217 2.682 1.00 18.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1207 ATOM 734 C GLY A 94 11.469 5.677 2.398 1.00 21.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1208 ATOM 735 O GLY A 94 10.821 6.178 3.313 1.00 20.50 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1209 ATOM 736 N THR A 95 10.982 5.471 1.170 1.00 21.68 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1210 ATOM 737 CA THR A 95 9.665 5.967 0.745 1.00 24.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1211 ATOM 738 C THR A 95 8.658 4.978 0.095 1.00 23.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1212 ATOM 739 O THR A 95 7.529 4.846 0.561 1.00 23.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1213 ATOM 740 CB THR A 95 9.861 7.053 -0.280 1.00 24.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1214 ATOM 741 OG1 THR A 95 10.420 8.204 0.346 1.00 30.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1215 ATOM 742 CG2 THR A 95 8.485 7.512 -0.788 1.00 26.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1216 ATOM 743 N ILE A 96 9.057 4.351 -1.014 1.00 24.29 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1217 ATOM 744 CA ILE A 96 8.121 3.604 -1.874 1.00 24.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1218 ATOM 745 C ILE A 96 7.557 2.364 -1.232 1.00 25.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1219 ATOM 746 O ILE A 96 6.511 1.857 -1.681 1.00 25.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1220 ATOM 747 CB ILE A 96 8.725 3.262 -3.269 1.00 25.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1221 ATOM 748 CG1 ILE A 96 9.824 2.200 -3.158 1.00 26.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1222 ATOM 749 CG2 ILE A 96 9.204 4.513 -4.009 1.00 26.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1223 ATOM 750 CD1 ILE A 96 10.302 1.661 -4.535 1.00 30.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1224 ATOM 751 N ALA A 97 8.227 1.871 -0.190 1.00 23.96 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1225 ATOM 752 CA ALA A 97 7.738 0.715 0.533 1.00 24.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1226 ATOM 753 C ALA A 97 6.566 0.990 1.471 1.00 24.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1227 ATOM 754 O ALA A 97 6.041 0.065 2.088 1.00 25.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1228 ATOM 755 CB ALA A 97 8.875 0.025 1.288 1.00 23.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1229 ATOM 756 N LYS A 98 6.154 2.247 1.582 1.00 25.53 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1230 ATOM 757 CA LYS A 98 5.032 2.582 2.445 1.00 26.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1231 ATOM 758 C LYS A 98 3.795 1.692 2.184 1.00 26.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1232 ATOM 759 O LYS A 98 3.263 1.080 3.130 1.00 29.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1233 ATOM 760 CB LYS A 98 4.677 4.065 2.235 1.00 26.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1234 ATOM 761 N SER A 99 3.384 1.544 0.930 1.00 27.94 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1235 ATOM 762 CA SER A 99 2.134 0.865 0.640 1.00 28.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1236 ATOM 763 C SER A 99 2.224 -0.628 0.967 1.00 27.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1237 ATOM 764 O SER A 99 1.362 -1.197 1.650 1.00 28.11 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1238 ATOM 765 CB SER A 99 1.751 1.076 -0.817 1.00 29.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1239 ATOM 766 OG SER A 99 2.634 0.326 -1.608 1.00 34.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1240 ATOM 767 N GLY A 100 3.261 -1.278 0.470 1.00 26.28 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1241 ATOM 768 CA GLY A 100 3.438 -2.686 0.797 1.00 24.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1242 ATOM 769 C GLY A 100 3.518 -2.942 2.296 1.00 23.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1243 ATOM 770 O GLY A 100 2.966 -3.956 2.758 1.00 21.30 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1244 ATOM 771 N THR A 101 4.247 -2.101 3.042 1.00 22.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1245 ATOM 772 CA THR A 101 4.452 -2.363 4.450 1.00 22.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1246 ATOM 773 C THR A 101 3.108 -2.308 5.168 1.00 22.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1247 ATOM 774 O THR A 101 2.848 -3.130 6.000 1.00 21.58 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1248 ATOM 775 CB THR A 101 5.524 -1.456 5.212 1.00 23.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1249 ATOM 776 OG1 THR A 101 5.133 -0.081 5.240 1.00 25.02 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1250 ATOM 777 CG2 THR A 101 6.892 -1.481 4.505 1.00 22.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1251 ATOM 778 N LYS A 102 2.266 -1.342 4.825 1.00 23.73 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1252 ATOM 779 CA LYS A 102 0.972 -1.252 5.501 1.00 24.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1253 ATOM 780 C LYS A 102 0.128 -2.505 5.307 1.00 23.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1254 ATOM 781 O LYS A 102 -0.338 -3.128 6.275 1.00 23.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1255 ATOM 782 CB LYS A 102 0.197 0.005 5.080 1.00 24.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1256 ATOM 783 CG LYS A 102 -0.912 0.322 6.059 1.00 27.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1257 ATOM 784 N ALA A 103 -0.038 -2.901 4.058 1.00 22.87 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1258 ATOM 785 CA ALA A 103 -0.783 -4.105 3.754 1.00 20.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1259 ATOM 786 C ALA A 103 -0.167 -5.351 4.402 1.00 19.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1260 ATOM 787 O ALA A 103 -0.866 -6.213 4.882 1.00 19.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1261 ATOM 788 CB ALA A 103 -0.895 -4.281 2.247 1.00 22.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1262 ATOM 789 N PHE A 104 1.152 -5.450 4.392 1.00 17.13 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1263 ATOM 790 CA PHE A 104 1.797 -6.616 5.017 1.00 15.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1264 ATOM 791 C PHE A 104 1.565 -6.636 6.531 1.00 15.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1265 ATOM 792 O PHE A 104 1.351 -7.710 7.101 1.00 15.96 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1266 ATOM 793 CB PHE A 104 3.307 -6.586 4.736 1.00 15.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1267 ATOM 794 CG PHE A 104 4.035 -7.726 5.317 1.00 12.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1268 ATOM 795 CD1 PHE A 104 3.633 -9.044 5.046 1.00 16.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1269 ATOM 796 CD2 PHE A 104 5.136 -7.515 6.126 1.00 14.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1270 ATOM 797 CE1 PHE A 104 4.373 -10.105 5.622 1.00 15.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1271 ATOM 798 CE2 PHE A 104 5.859 -8.562 6.662 1.00 17.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1272 ATOM 799 CZ PHE A 104 5.459 -9.848 6.421 1.00 15.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1273 ATOM 800 N MET A 105 1.636 -5.487 7.193 1.00 16.45 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1274 ATOM 801 CA MET A 105 1.397 -5.502 8.624 1.00 16.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1275 ATOM 802 C MET A 105 -0.005 -5.915 8.979 1.00 16.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1276 ATOM 803 O MET A 105 -0.195 -6.553 10.014 1.00 17.10 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1277 ATOM 804 CB MET A 105 1.674 -4.131 9.237 1.00 16.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1278 ATOM 805 CG MET A 105 3.154 -3.834 9.195 1.00 17.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1279 ATOM 806 SD MET A 105 3.589 -2.287 10.105 1.00 20.19 S

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1280 ATOM 807 CE MET A 105 3.020 -1.198 9.041 1.00 17.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1281 ATOM 808 N GLU A 106 -0.963 -5.543 8.153 1.00 16.85 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1282 ATOM 809 CA GLU A 106 -2.355 -5.959 8.400 1.00 18.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1283 ATOM 810 C GLU A 106 -2.448 -7.474 8.236 1.00 19.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1284 ATOM 811 O GLU A 106 -3.151 -8.162 9.011 1.00 20.11 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1285 ATOM 812 CB GLU A 106 -3.285 -5.248 7.461 1.00 20.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1286 ATOM 813 CG GLU A 106 -3.339 -3.746 7.749 1.00 24.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1287 ATOM 814 CD GLU A 106 -4.107 -2.973 6.697 1.00 33.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1288 ATOM 815 OE1 GLU A 106 -4.212 -3.460 5.564 1.00 37.02 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1289 ATOM 816 OE2 GLU A 106 -4.598 -1.863 7.009 1.00 40.23 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1290 ATOM 817 N ALA A 107 -1.752 -8.008 7.223 1.00 17.43 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1291 ATOM 818 CA ALA A 107 -1.713 -9.451 7.062 1.00 18.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1292 ATOM 819 C ALA A 107 -1.063 -10.143 8.263 1.00 18.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1293 ATOM 820 O ALA A 107 -1.566 -11.164 8.713 1.00 17.92 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1294 ATOM 821 CB ALA A 107 -1.043 -9.873 5.687 1.00 16.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1295 ATOM 822 N LEU A 108 0.048 -9.594 8.774 1.00 17.66 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1296 ATOM 823 CA LEU A 108 0.709 -10.140 9.943 1.00 18.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1297 ATOM 824 C LEU A 108 -0.296 -10.140 11.088 1.00 18.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1298 ATOM 825 O LEU A 108 -0.379 -11.116 11.836 1.00 19.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1299 ATOM 826 CB LEU A 108 1.927 -9.300 10.337 1.00 17.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1300 ATOM 827 CG LEU A 108 3.133 -9.495 9.400 1.00 18.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1301 ATOM 828 CD1 LEU A 108 4.257 -8.547 9.875 1.00 18.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1302 ATOM 829 CD2 LEU A 108 3.635 -10.934 9.401 1.00 18.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1303 ATOM 830 N SER A 109 -1.070 -9.074 11.216 1.00 20.01 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1304 ATOM 831 CA SER A 109 -2.043 -8.976 12.305 1.00 22.25 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1305 ATOM 832 C SER A 109 -2.966 -10.179 12.323 1.00 22.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1306 ATOM 833 O SER A 109 -3.370 -10.694 13.373 1.00 23.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1307 ATOM 834 CB SER A 109 -2.941 -7.764 12.101 1.00 22.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1308 ATOM 835 OG SER A 109 -2.353 -6.599 12.613 1.00 32.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1309 ATOM 836 N ALA A 110 -3.328 -10.606 11.125 1.00 20.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1310 ATOM 837 CA ALA A 110 -4.329 -11.661 10.944 1.00 19.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1311 ATOM 838 C ALA A 110 -3.761 -13.035 11.043 1.00 18.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1312 ATOM 839 O ALA A 110 -4.513 -14.000 11.115 1.00 18.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1313 ATOM 840 CB ALA A 110 -5.006 -11.482 9.605 1.00 19.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1314 ATOM 841 N GLY A 111 -2.439 -13.156 11.008 1.00 18.14 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1315 ATOM 842 CA GLY A 111 -1.787 -14.427 11.142 1.00 18.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1316 ATOM 843 C GLY A 111 -0.861 -14.850 10.012 1.00 18.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1317 ATOM 844 O GLY A 111 -0.348 -15.956 10.039 1.00 19.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1318 ATOM 845 N ALA A 112 -0.649 -13.979 9.030 1.00 18.07 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1319 ATOM 846 CA ALA A 112 0.240 -14.351 7.924 1.00 18.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1320 ATOM 847 C ALA A 112 1.625 -14.688 8.387 1.00 18.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1321 ATOM 848 O ALA A 112 2.150 -14.097 9.345 1.00 19.67 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1322 ATOM 849 CB ALA A 112 0.328 -13.200 6.897 1.00 17.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1323 ATOM 850 N ASP A 113 2.260 -15.618 7.687 1.00 18.09 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1324 ATOM 851 CA ASP A 113 3.626 -15.920 8.018 1.00 19.25 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1325 ATOM 852 C ASP A 113 4.546 -14.772 7.577 1.00 18.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1326 ATOM 853 O ASP A 113 4.378 -14.226 6.485 1.00 17.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1327 ATOM 854 CB ASP A 113 4.060 -17.172 7.310 1.00 19.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1328 ATOM 855 CG ASP A 113 5.240 -17.775 7.970 1.00 24.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1329 ATOM 856 OD1 ASP A 113 6.346 -17.479 7.535 1.00 22.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1330 ATOM 857 OD2 ASP A 113 5.156 -18.468 9.018 1.00 27.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1331 ATOM 858 N VAL A 114 5.518 -14.445 8.428 1.00 17.96 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1332 ATOM 859 CA VAL A 114 6.497 -13.414 8.090 1.00 17.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1333 ATOM 860 C VAL A 114 7.140 -13.722 6.733 1.00 17.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1334 ATOM 861 O VAL A 114 7.547 -12.806 6.010 1.00 18.67 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1335 ATOM 862 CB VAL A 114 7.578 -13.337 9.170 1.00 17.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1336 ATOM 863 CG1 VAL A 114 8.697 -12.396 8.764 1.00 19.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1337 ATOM 864 CG2 VAL A 114 6.941 -12.860 10.496 1.00 19.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1338 ATOM 865 N SER A 115 7.224 -15.001 6.374 1.00 18.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1339 ATOM 866 CA SER A 115 7.821 -15.348 5.085 1.00 17.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1340 ATOM 867 C SER A 115 7.079 -14.833 3.860 1.00 18.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1341 ATOM 868 O SER A 115 7.637 -14.828 2.753 1.00 18.81 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1342 ATOM 869 CB SER A 115 8.085 -16.864 4.966 1.00 20.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1343 ATOM 870 OG SER A 115 6.840 -17.553 4.814 1.00 21.84 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1344 ATOM 871 N MET A 116 5.851 -14.351 4.028 1.00 16.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1345 ATOM 872 CA MET A 116 5.127 -13.736 2.907 1.00 17.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1346 ATOM 873 C MET A 116 5.633 -12.347 2.526 1.00 16.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1347 ATOM 874 O MET A 116 5.161 -11.755 1.558 1.00 16.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1348 ATOM 875 CB MET A 116 3.609 -13.569 3.196 1.00 17.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1349 ATOM 876 CG MET A 116 2.908 -14.852 3.385 1.00 20.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1350 ATOM 877 SD MET A 116 1.111 -14.572 3.322 1.00 21.11 S

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1351 ATOM 878 CE MET A 116 0.900 -14.117 1.605 1.00 23.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1352 ATOM 879 N ILE A 117 6.594 -11.836 3.299 1.00 14.75 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1353 ATOM 880 CA ILE A 117 6.991 -10.440 3.148 1.00 14.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1354 ATOM 881 C ILE A 117 7.344 -10.075 1.707 1.00 14.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1355 ATOM 882 O ILE A 117 7.001 -8.990 1.254 1.00 14.16 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1356 ATOM 883 CB ILE A 117 8.138 -10.142 4.152 1.00 14.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1357 ATOM 884 CG1 ILE A 117 8.460 -8.635 4.138 1.00 14.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1358 ATOM 885 CG2 ILE A 117 9.387 -11.012 3.819 1.00 15.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1359 ATOM 886 CD1 ILE A 117 9.432 -8.242 5.282 1.00 16.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1360 ATOM 887 N GLY A 118 7.994 -10.965 0.972 1.00 14.99 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1361 ATOM 888 CA GLY A 118 8.356 -10.665 -0.402 1.00 15.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1362 ATOM 889 C GLY A 118 7.184 -10.487 -1.349 1.00 14.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1363 ATOM 890 O GLY A 118 7.254 -9.725 -2.321 1.00 15.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1364 ATOM 891 N GLN A 119 6.104 -11.188 -1.064 1.00 15.37 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1365 ATOM 892 CA GLN A 119 4.913 -11.056 -1.874 1.00 14.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1366 ATOM 893 C GLN A 119 4.236 -9.711 -1.706 1.00 15.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1367 ATOM 894 O GLN A 119 3.385 -9.317 -2.511 1.00 15.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1368 ATOM 895 CB GLN A 119 3.965 -12.214 -1.563 1.00 16.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1369 ATOM 896 CG GLN A 119 4.536 -13.508 -2.118 1.00 19.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1370 ATOM 897 CD GLN A 119 3.744 -14.681 -1.658 1.00 21.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1371 ATOM 898 OE1 GLN A 119 4.176 -15.431 -0.762 1.00 26.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1372 ATOM 899 NE2 GLN A 119 2.591 -14.874 -2.271 1.00 22.22 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1373 ATOM 900 N PHE A 120 4.622 -8.987 -0.661 1.00 14.82 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1374 ATOM 901 CA PHE A 120 4.105 -7.645 -0.472 1.00 15.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1375 ATOM 902 C PHE A 120 5.119 -6.606 -0.940 1.00 14.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1376 ATOM 903 O PHE A 120 4.912 -5.405 -0.786 1.00 15.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1377 ATOM 904 CB PHE A 120 3.704 -7.373 0.980 1.00 15.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1378 ATOM 905 CG PHE A 120 2.469 -8.130 1.416 1.00 15.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1379 ATOM 906 CD1 PHE A 120 2.506 -9.485 1.695 1.00 16.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1380 ATOM 907 CD2 PHE A 120 1.266 -7.434 1.553 1.00 16.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1381 ATOM 908 CE1 PHE A 120 1.359 -10.164 2.092 1.00 17.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1382 ATOM 909 CE2 PHE A 120 0.118 -8.112 1.945 1.00 15.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1383 ATOM 910 CZ PHE A 120 0.164 -9.453 2.221 1.00 18.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1384 ATOM 911 N GLY A 121 6.227 -7.082 -1.502 1.00 15.65 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1385 ATOM 912 CA GLY A 121 7.189 -6.198 -2.151 1.00 15.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1386 ATOM 913 C GLY A 121 8.142 -5.481 -1.207 1.00 15.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1387 ATOM 914 O GLY A 121 8.834 -4.497 -1.597 1.00 17.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1388 ATOM 915 N VAL A 122 8.186 -5.963 0.027 1.00 14.54 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1389 ATOM 916 CA VAL A 122 8.973 -5.299 1.065 1.00 13.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1390 ATOM 917 C VAL A 122 9.974 -6.233 1.746 1.00 13.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1391 ATOM 918 O VAL A 122 10.370 -6.040 2.894 1.00 12.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1392 ATOM 919 CB VAL A 122 8.059 -4.558 2.102 1.00 12.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1393 ATOM 920 CG1 VAL A 122 7.341 -3.384 1.451 1.00 16.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1394 ATOM 921 CG2 VAL A 122 7.053 -5.538 2.781 1.00 12.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1395 ATOM 922 N GLY A 123 10.349 -7.302 1.037 1.00 13.26 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1396 ATOM 923 CA GLY A 123 11.315 -8.257 1.538 1.00 13.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1397 ATOM 924 C GLY A 123 12.658 -7.737 2.017 1.00 11.65 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1398 ATOM 925 O GLY A 123 13.277 -8.370 2.820 1.00 13.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1399 ATOM 926 N PHE A 124 13.051 -6.559 1.539 1.00 12.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1400 ATOM 927 CA PHE A 124 14.313 -5.977 1.938 1.00 11.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1401 ATOM 928 C PHE A 124 14.381 -5.876 3.451 1.00 12.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1402 ATOM 929 O PHE A 124 15.415 -6.195 4.081 1.00 12.37 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1403 ATOM 930 CB PHE A 124 14.441 -4.551 1.341 1.00 11.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1404 ATOM 931 CG PHE A 124 15.526 -3.714 1.954 1.00 12.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1405 ATOM 932 CD1 PHE A 124 16.873 -3.983 1.732 1.00 13.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1406 ATOM 933 CD2 PHE A 124 15.183 -2.635 2.731 1.00 14.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1407 ATOM 934 CE1 PHE A 124 17.881 -3.184 2.290 1.00 14.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1408 ATOM 935 CE2 PHE A 124 16.189 -1.782 3.271 1.00 15.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1409 ATOM 936 CZ PHE A 124 17.554 -2.078 3.048 1.00 14.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1410 ATOM 937 N TYR A 125 13.241 -5.521 4.070 1.00 12.61 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1411 ATOM 938 CA TYR A 125 13.256 -5.251 5.486 1.00 10.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1412 ATOM 939 C TYR A 125 13.344 -6.487 6.363 1.00 12.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1413 ATOM 940 O TYR A 125 13.611 -6.366 7.575 1.00 12.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1414 ATOM 941 CB TYR A 125 12.052 -4.369 5.856 1.00 11.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1415 ATOM 942 CG TYR A 125 12.054 -3.053 5.072 1.00 11.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1416 ATOM 943 CD1 TYR A 125 11.284 -2.915 3.927 1.00 13.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1417 ATOM 944 CD2 TYR A 125 12.844 -1.994 5.464 1.00 11.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1418 ATOM 945 CE1 TYR A 125 11.302 -1.781 3.182 1.00 12.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1419 ATOM 946 CE2 TYR A 125 12.876 -0.806 4.692 1.00 11.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1420 ATOM 947 CZ TYR A 125 12.093 -0.729 3.560 1.00 12.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1421 ATOM 948 OH TYR A 125 12.105 0.412 2.785 1.00 16.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1422 ATOM 949 N SER A 126 13.226 -7.650 5.716 1.00 12.39 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1423 ATOM 950 CA SER A 126 13.437 -8.907 6.426 1.00 12.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1424 ATOM 951 C SER A 126 14.868 -9.036 6.955 1.00 12.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1425 ATOM 952 O SER A 126 15.132 -9.859 7.804 1.00 12.66 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1426 ATOM 953 CB SER A 126 13.090 -10.110 5.533 1.00 13.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1427 ATOM 954 OG SER A 126 14.079 -10.320 4.527 1.00 14.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1428 ATOM 955 N LEU A 127 15.808 -8.214 6.478 1.00 11.81 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1429 ATOM 956 CA LEU A 127 17.153 -8.298 7.016 1.00 11.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1430 ATOM 957 C LEU A 127 17.170 -8.029 8.516 1.00 12.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1431 ATOM 958 O LEU A 127 18.076 -8.480 9.195 1.00 13.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1432 ATOM 959 CB LEU A 127 18.070 -7.336 6.229 1.00 12.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1433 ATOM 960 CG LEU A 127 17.792 -5.838 6.433 1.00 12.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1434 ATOM 961 CD1 LEU A 127 18.592 -5.273 7.599 1.00 12.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1435 ATOM 962 CD2 LEU A 127 18.305 -5.102 5.180 1.00 13.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1436 ATOM 963 N PHE A 128 16.174 -7.290 9.045 1.00 12.36 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1437 ATOM 964 CA PHE A 128 16.189 -7.023 10.467 1.00 13.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1438 ATOM 965 C PHE A 128 15.818 -8.205 11.353 1.00 14.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1439 ATOM 966 O PHE A 128 15.901 -8.110 12.577 1.00 16.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1440 ATOM 967 CB PHE A 128 15.291 -5.799 10.752 1.00 12.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1441 ATOM 968 CG PHE A 128 15.910 -4.506 10.274 1.00 14.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1442 ATOM 969 CD1 PHE A 128 15.381 -3.822 9.178 1.00 13.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1443 ATOM 970 CD2 PHE A 128 17.037 -4.005 10.899 1.00 13.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1444 ATOM 971 CE1 PHE A 128 15.929 -2.609 8.757 1.00 14.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1445 ATOM 972 CE2 PHE A 128 17.628 -2.792 10.480 1.00 14.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1446 ATOM 973 CZ PHE A 128 17.059 -2.093 9.404 1.00 13.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1447 ATOM 974 N LEU A 129 15.503 -9.334 10.708 1.00 14.40 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1448 ATOM 975 CA LEU A 129 15.371 -10.575 11.479 1.00 14.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1449 ATOM 976 C LEU A 129 16.734 -10.997 12.025 1.00 16.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1450 ATOM 977 O LEU A 129 16.825 -11.571 13.112 1.00 17.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1451 ATOM 978 CB LEU A 129 14.838 -11.708 10.624 1.00 14.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1452 ATOM 979 CG LEU A 129 13.440 -11.556 10.079 1.00 13.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1453 ATOM 980 CD1 LEU A 129 13.081 -12.595 8.995 1.00 16.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1454 ATOM 981 CD2 LEU A 129 12.412 -11.653 11.254 1.00 16.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1455 ATOM 982 N VAL A 130 17.792 -10.748 11.259 1.00 14.45 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1456 ATOM 983 CA VAL A 130 19.117 -11.184 11.691 1.00 14.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1457 ATOM 984 C VAL A 130 20.078 -10.100 11.985 1.00 14.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1458 ATOM 985 O VAL A 130 21.122 -10.342 12.599 1.00 15.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1459 ATOM 986 CB VAL A 130 19.730 -12.196 10.689 1.00 14.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1460 ATOM 987 CG1 VAL A 130 18.851 -13.459 10.517 1.00 15.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1461 ATOM 988 CG2 VAL A 130 19.945 -11.538 9.310 1.00 16.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1462 ATOM 989 N ALA A 131 19.784 -8.869 11.553 1.00 14.48 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1463 ATOM 990 CA ALA A 131 20.678 -7.757 11.702 1.00 14.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1464 ATOM 991 C ALA A 131 20.058 -6.614 12.477 1.00 14.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1465 ATOM 992 O ALA A 131 18.855 -6.380 12.392 1.00 15.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1466 ATOM 993 CB ALA A 131 21.130 -7.228 10.304 1.00 14.33 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1467 ATOM 994 N ASP A 132 20.884 -5.869 13.211 1.00 15.35 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1468 ATOM 995 CA ASP A 132 20.357 -4.683 13.865 1.00 17.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1469 ATOM 996 C ASP A 132 20.747 -3.398 13.209 1.00 16.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1470 ATOM 997 O ASP A 132 20.398 -2.334 13.681 1.00 17.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1471 ATOM 998 CB ASP A 132 20.656 -4.629 15.351 1.00 20.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1472 ATOM 999 CG ASP A 132 22.082 -4.697 15.644 1.00 23.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1473 ATOM 1000 OD1 ASP A 132 22.409 -4.925 16.844 1.00 33.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1474 ATOM 1001 OD2 ASP A 132 22.975 -4.567 14.804 1.00 28.92 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1475 ATOM 1002 N ARG A 133 21.471 -3.483 12.107 1.00 14.83 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1476 ATOM 1003 CA ARG A 133 21.932 -2.290 11.416 1.00 14.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1477 ATOM 1004 C ARG A 133 22.352 -2.758 10.026 1.00 13.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1478 ATOM 1005 O ARG A 133 22.753 -3.918 9.849 1.00 13.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1479 ATOM 1006 CB ARG A 133 23.117 -1.683 12.173 1.00 15.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1480 ATOM 1007 CG ARG A 133 23.981 -0.749 11.393 1.00 21.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1481 ATOM 1008 CD ARG A 133 24.930 0.025 12.311 1.00 27.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1482 ATOM 1009 NE ARG A 133 26.010 0.754 11.652 1.00 35.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1483 ATOM 1010 CZ ARG A 133 27.244 0.773 12.113 1.00 37.25 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1484 ATOM 1011 NH1 ARG A 133 27.545 0.109 13.219 1.00 39.70 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1485 ATOM 1012 NH2 ARG A 133 28.181 1.464 11.480 1.00 39.55 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1486 ATOM 1013 N VAL A 134 22.182 -1.876 9.043 1.00 12.91 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1487 ATOM 1014 CA VAL A 134 22.540 -2.210 7.654 1.00 12.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1488 ATOM 1015 C VAL A 134 23.084 -0.982 6.995 1.00 12.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1489 ATOM 1016 O VAL A 134 22.608 0.129 7.221 1.00 11.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1490 ATOM 1017 CB VAL A 134 21.305 -2.756 6.845 1.00 12.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1491 ATOM 1018 CG1 VAL A 134 20.112 -1.829 6.944 1.00 13.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1492 ATOM 1019 CG2 VAL A 134 21.725 -3.061 5.384 1.00 12.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1493 ATOM 1020 N GLN A 135 24.114 -1.191 6.170 1.00 11.84 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1494 ATOM 1021 CA GLN A 135 24.572 -0.158 5.228 1.00 11.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1495 ATOM 1022 C GLN A 135 24.289 -0.716 3.866 1.00 11.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1496 ATOM 1023 O GLN A 135 24.680 -1.862 3.558 1.00 12.71 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1497 ATOM 1024 CB GLN A 135 26.086 0.110 5.346 1.00 11.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1498 ATOM 1025 CG GLN A 135 26.399 0.850 6.631 1.00 11.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1499 ATOM 1026 CD GLN A 135 27.864 0.923 6.941 1.00 15.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1500 ATOM 1027 OE1 GLN A 135 28.688 0.363 6.212 1.00 17.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1501 ATOM 1028 NE2 GLN A 135 28.200 1.637 8.011 1.00 17.38 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1502 ATOM 1029 N VAL A 136 23.583 0.089 3.065 1.00 10.51 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1503 ATOM 1030 CA VAL A 136 23.412 -0.270 1.655 1.00 10.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1504 ATOM 1031 C VAL A 136 24.414 0.587 0.880 1.00 10.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1505 ATOM 1032 O VAL A 136 24.297 1.823 0.884 1.00 11.81 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1506 ATOM 1033 CB VAL A 136 21.988 0.028 1.175 1.00 10.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1507 ATOM 1034 CG1 VAL A 136 21.855 -0.304 -0.316 1.00 11.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1508 ATOM 1035 CG2 VAL A 136 21.066 -0.944 1.920 1.00 11.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1509 ATOM 1036 N ILE A 137 25.410 -0.025 0.237 1.00 9.29 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1510 ATOM 1037 CA ILE A 137 26.435 0.766 -0.476 1.00 9.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1511 ATOM 1038 C ILE A 137 26.097 0.576 -1.953 1.00 9.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1512 ATOM 1039 O ILE A 137 25.981 -0.547 -2.389 1.00 11.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1513 ATOM 1040 CB ILE A 137 27.815 0.161 -0.135 1.00 10.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1514 ATOM 1041 CG1 ILE A 137 28.076 0.224 1.369 1.00 13.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1515 ATOM 1042 CG2 ILE A 137 28.929 0.908 -0.892 1.00 12.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1516 ATOM 1043 CD1 ILE A 137 29.027 -0.863 1.855 1.00 15.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1517 ATOM 1044 N SER A 138 25.924 1.656 -2.713 1.00 10.35 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1518 ATOM 1045 CA SER A 138 25.430 1.372 -4.067 1.00 10.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1519 ATOM 1046 C SER A 138 26.091 2.324 -5.063 1.00 10.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1520 ATOM 1047 O SER A 138 26.434 3.480 -4.747 1.00 11.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1521 ATOM 1048 CB SER A 138 23.906 1.535 -4.128 1.00 11.33 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1522 ATOM 1049 OG SER A 138 23.431 0.978 -5.364 1.00 11.76 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1523 ATOM 1050 N LYS A 139 26.282 1.795 -6.272 1.00 11.83 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1524 ATOM 1051 CA LYS A 139 26.852 2.592 -7.377 1.00 11.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1525 ATOM 1052 C LYS A 139 26.033 2.331 -8.623 1.00 11.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1526 ATOM 1053 O LYS A 139 26.058 1.231 -9.196 1.00 11.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1527 ATOM 1054 CB LYS A 139 28.299 2.160 -7.636 1.00 11.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1528 ATOM 1055 CG LYS A 139 28.970 2.869 -8.863 1.00 13.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1529 ATOM 1056 CD LYS A 139 29.260 4.337 -8.571 1.00 11.65 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1530 ATOM 1057 CE LYS A 139 30.021 4.999 -9.718 1.00 12.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1531 ATOM 1058 NZ LYS A 139 29.180 5.080 -10.968 1.00 13.92 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1532 ATOM 1059 N SER A 140 25.298 3.357 -9.007 1.00 12.77 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1533 ATOM 1060 CA SER A 140 24.576 3.311 -10.284 1.00 12.20 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1534 ATOM 1061 C SER A 140 25.507 3.928 -11.343 1.00 13.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1535 ATOM 1062 O SER A 140 26.323 4.784 -11.020 1.00 13.76 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1536 ATOM 1063 CB SER A 140 23.339 4.164 -10.150 1.00 12.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1537 ATOM 1064 OG SER A 140 22.818 4.522 -11.473 1.00 16.30 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1538 ATOM 1065 N ASN A 141 25.373 3.539 -12.620 1.00 14.28 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1539 ATOM 1066 CA ASN A 141 26.179 4.219 -13.636 1.00 15.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1540 ATOM 1067 C ASN A 141 25.876 5.715 -13.687 1.00 16.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1541 ATOM 1068 O ASN A 141 26.684 6.481 -14.234 1.00 18.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1542 ATOM 1069 CB ASN A 141 25.882 3.646 -15.030 1.00 15.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1543 ATOM 1070 CG ASN A 141 26.390 2.240 -15.203 1.00 16.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1544 ATOM 1071 OD1 ASN A 141 27.303 1.803 -14.487 1.00 17.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1545 ATOM 1072 ND2 ASN A 141 25.842 1.511 -16.171 1.00 15.29 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1546 ATOM 1073 N ASP A 142 24.763 6.132 -13.093 1.00 17.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1547 ATOM 1074 CA ASP A 142 24.325 7.522 -13.211 1.00 17.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1548 ATOM 1075 C ASP A 142 24.679 8.426 -12.040 1.00 17.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1549 ATOM 1076 O ASP A 142 24.252 9.565 -11.993 1.00 18.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1550 ATOM 1077 CB ASP A 142 22.829 7.560 -13.477 1.00 20.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1551 ATOM 1078 CG ASP A 142 22.469 6.840 -14.784 1.00 26.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1552 ATOM 1079 OD1 ASP A 142 23.072 7.183 -15.817 1.00 34.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1553 ATOM 1080 OD2 ASP A 142 21.614 5.935 -14.887 1.00 33.53 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1554 ATOM 1081 N ASP A 143 25.417 7.889 -11.068 1.00 15.65 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1555 ATOM 1082 CA ASP A 143 25.807 8.697 -9.911 1.00 14.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1556 ATOM 1083 C ASP A 143 27.077 8.146 -9.299 1.00 14.33 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1557 ATOM 1084 O ASP A 143 27.645 7.156 -9.754 1.00 15.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1558 ATOM 1085 CB ASP A 143 24.674 8.641 -8.885 1.00 15.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1559 ATOM 1086 CG ASP A 143 24.581 9.868 -7.993 1.00 14.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1560 ATOM 1087 OD1 ASP A 143 25.488 10.753 -7.985 1.00 16.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1561 ATOM 1088 OD2 ASP A 143 23.594 10.019 -7.219 1.00 16.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1562 ATOM 1089 N GLU A 144 27.556 8.870 -8.297 1.00 13.68 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1563 ATOM 1090 CA GLU A 144 28.674 8.448 -7.466 1.00 14.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1564 ATOM 1091 C GLU A 144 28.258 7.333 -6.531 1.00 12.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1565 ATOM 1092 O GLU A 144 27.065 7.035 -6.379 1.00 13.58 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1566 ATOM 1093 CB GLU A 144 29.190 9.620 -6.628 1.00 15.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1567 ATOM 1094 CG GLU A 144 29.552 10.823 -7.485 1.00 22.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1568 ATOM 1095 CD GLU A 144 30.789 10.614 -8.323 1.00 30.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1569 ATOM 1096 OE1 GLU A 144 31.501 9.603 -8.147 1.00 32.36 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1570 ATOM 1097 OE2 GLU A 144 31.083 11.505 -9.160 1.00 38.81 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1571 ATOM 1098 N GLN A 145 29.246 6.714 -5.872 1.00 12.73 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1572 ATOM 1099 CA GLN A 145 28.953 5.645 -4.893 1.00 11.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1573 ATOM 1100 C GLN A 145 28.484 6.288 -3.589 1.00 12.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1574 ATOM 1101 O GLN A 145 29.123 7.225 -3.105 1.00 12.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1575 ATOM 1102 CB GLN A 145 30.227 4.811 -4.637 1.00 10.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1576 ATOM 1103 CG GLN A 145 29.994 3.570 -3.770 1.00 10.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1577 ATOM 1104 CD GLN A 145 31.125 2.581 -3.915 1.00 12.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1578 ATOM 1105 OE1 GLN A 145 31.530 2.220 -5.032 1.00 13.38 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1579 ATOM 1106 NE2 GLN A 145 31.668 2.135 -2.759 1.00 11.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1580 ATOM 1107 N TYR A 146 27.371 5.777 -3.042 1.00 11.72 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1581 ATOM 1108 CA TYR A 146 26.768 6.315 -1.805 1.00 11.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1582 ATOM 1109 C TYR A 146 26.498 5.213 -0.797 1.00 10.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1583 ATOM 1110 O TYR A 146 26.359 4.049 -1.169 1.00 11.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1584 ATOM 1111 CB TYR A 146 25.430 7.045 -2.068 1.00 12.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1585 ATOM 1112 CG TYR A 146 25.624 8.444 -2.571 1.00 11.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1586 ATOM 1113 CD1 TYR A 146 25.717 8.701 -3.943 1.00 13.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1587 ATOM 1114 CD2 TYR A 146 25.748 9.498 -1.687 1.00 12.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1588 ATOM 1115 CE1 TYR A 146 25.909 9.997 -4.386 1.00 14.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1589 ATOM 1116 CE2 TYR A 146 25.889 10.808 -2.148 1.00 14.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1590 ATOM 1117 CZ TYR A 146 26.017 11.024 -3.482 1.00 14.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1591 ATOM 1118 OH TYR A 146 26.209 12.342 -3.940 1.00 16.70 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1592 ATOM 1119 N ILE A 147 26.404 5.620 0.483 1.00 10.75 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1593 ATOM 1120 CA ILE A 147 26.112 4.666 1.581 1.00 10.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1594 ATOM 1121 C ILE A 147 24.825 5.124 2.240 1.00 10.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1595 ATOM 1122 O ILE A 147 24.747 6.266 2.699 1.00 12.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1596 ATOM 1123 CB ILE A 147 27.201 4.733 2.678 1.00 11.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1597 ATOM 1124 CG1 ILE A 147 28.568 4.449 2.052 1.00 13.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1598 ATOM 1125 CG2 ILE A 147 26.865 3.691 3.790 1.00 13.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1599 ATOM 1126 CD1 ILE A 147 29.722 5.081 2.853 1.00 11.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1600 ATOM 1127 N TRP A 148 23.819 4.246 2.266 1.00 10.85 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1601 ATOM 1128 CA TRP A 148 22.567 4.503 2.987 1.00 10.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1602 ATOM 1129 C TRP A 148 22.639 3.655 4.251 1.00 12.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1603 ATOM 1130 O TRP A 148 23.040 2.485 4.192 1.00 11.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1604 ATOM 1131 CB TRP A 148 21.439 4.044 2.061 1.00 11.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1605 ATOM 1132 CG TRP A 148 20.035 4.084 2.594 1.00 11.05 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1606 ATOM 1133 CD1 TRP A 148 19.079 5.030 2.302 1.00 12.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1607 ATOM 1134 CD2 TRP A 148 19.389 3.087 3.382 1.00 13.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1608 ATOM 1135 NE1 TRP A 148 17.879 4.697 2.902 1.00 13.62 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1609 ATOM 1136 CE2 TRP A 148 18.030 3.515 3.568 1.00 13.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1610 ATOM 1137 CE3 TRP A 148 19.809 1.885 3.957 1.00 14.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1611 ATOM 1138 CZ2 TRP A 148 17.093 2.764 4.324 1.00 14.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1612 ATOM 1139 CZ3 TRP A 148 18.862 1.108 4.690 1.00 16.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1613 ATOM 1140 CH2 TRP A 148 17.534 1.570 4.855 1.00 13.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1614 ATOM 1141 N GLU A 149 22.316 4.239 5.409 1.00 11.49 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1615 ATOM 1142 CA GLU A 149 22.456 3.448 6.657 1.00 11.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1616 ATOM 1143 C GLU A 149 21.238 3.566 7.521 1.00 12.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1617 ATOM 1144 O GLU A 149 20.712 4.673 7.697 1.00 13.43 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1618 ATOM 1145 CB GLU A 149 23.679 3.906 7.468 1.00 12.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1619 ATOM 1146 CG GLU A 149 23.980 3.014 8.681 1.00 13.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1620 ATOM 1147 CD GLU A 149 25.417 3.171 9.238 1.00 17.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1621 ATOM 1148 OE1 GLU A 149 26.056 4.165 8.978 1.00 19.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1622 ATOM 1149 OE2 GLU A 149 25.939 2.248 9.887 1.00 24.58 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1623 ATOM 1150 N SER A 150 20.855 2.434 8.107 1.00 11.79 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1624 ATOM 1151 CA SER A 150 19.683 2.397 9.000 1.00 11.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1625 ATOM 1152 C SER A 150 19.912 1.456 10.164 1.00 14.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1626 ATOM 1153 O SER A 150 20.557 0.428 10.018 1.00 14.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1627 ATOM 1154 CB SER A 150 18.456 1.874 8.203 1.00 14.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1628 ATOM 1155 OG SER A 150 17.334 1.617 9.059 1.00 15.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1629 ATOM 1156 N ASN A 151 19.350 1.824 11.319 1.00 15.32 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1630 ATOM 1157 CA ASN A 151 19.394 0.926 12.469 1.00 16.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1631 ATOM 1158 C ASN A 151 17.996 0.614 12.892 1.00 16.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1632 ATOM 1159 O ASN A 151 17.713 0.355 14.054 1.00 17.35 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1633 ATOM 1160 CB ASN A 151 20.169 1.632 13.586 1.00 16.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1634 ATOM 1161 CG ASN A 151 19.475 2.886 14.043 1.00 18.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1635 ATOM 1162 OD1 ASN A 151 18.510 3.322 13.434 1.00 19.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1636 ATOM 1163 ND2 ASN A 151 20.011 3.518 15.076 1.00 27.08 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1637 ATOM 1164 N ALA A 152 17.109 0.568 11.902 1.00 16.13 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1638 ATOM 1165 CA ALA A 152 15.677 0.252 12.091 1.00 16.92 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1639 ATOM 1166 C ALA A 152 14.937 1.362 12.836 1.00 17.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1640 ATOM 1167 O ALA A 152 13.762 1.180 13.188 1.00 20.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1641 ATOM 1168 CB ALA A 152 15.433 -1.157 12.754 1.00 17.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1642 ATOM 1169 N GLY A 153 15.597 2.482 13.078 1.00 18.99 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1643 ATOM 1170 CA GLY A 153 14.950 3.613 13.716 1.00 20.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1644 ATOM 1171 C GLY A 153 14.252 4.446 12.658 1.00 20.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1645 ATOM 1172 O GLY A 153 14.283 4.097 11.477 1.00 19.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1646 ATOM 1173 N GLY A 154 13.691 5.582 13.066 1.00 19.18 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1647 ATOM 1174 CA GLY A 154 12.881 6.401 12.178 1.00 19.18 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1648 ATOM 1175 C GLY A 154 13.606 7.260 11.163 1.00 17.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1649 ATOM 1176 O GLY A 154 12.979 7.863 10.295 1.00 18.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1650 ATOM 1177 N SER A 155 14.923 7.326 11.281 1.00 18.53 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1651 ATOM 1178 CA SER A 155 15.714 8.147 10.356 1.00 17.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1652 ATOM 1179 C SER A 155 16.843 7.321 9.748 1.00 17.16 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1653 ATOM 1180 O SER A 155 17.312 6.335 10.341 1.00 17.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1654 ATOM 1181 CB SER A 155 16.301 9.381 11.090 1.00 19.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1655 ATOM 1182 OG SER A 155 17.220 8.989 12.096 1.00 26.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1656 ATOM 1183 N PHE A 156 17.263 7.707 8.548 1.00 16.50 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1657 ATOM 1184 CA PHE A 156 18.406 7.039 7.922 1.00 14.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1658 ATOM 1185 C PHE A 156 19.360 8.113 7.395 1.00 14.23 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1659 ATOM 1186 O PHE A 156 18.989 9.286 7.256 1.00 15.84 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1660 ATOM 1187 CB PHE A 156 17.994 6.121 6.750 1.00 14.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1661 ATOM 1188 CG PHE A 156 17.229 6.805 5.645 1.00 14.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1662 ATOM 1189 CD1 PHE A 156 17.904 7.315 4.530 1.00 14.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1663 ATOM 1190 CD2 PHE A 156 15.831 6.897 5.681 1.00 15.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1664 ATOM 1191 CE1 PHE A 156 17.222 7.896 3.458 1.00 14.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1665 ATOM 1192 CE2 PHE A 156 15.130 7.472 4.614 1.00 15.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1666 ATOM 1193 CZ PHE A 156 15.834 7.980 3.480 1.00 16.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1667 ATOM 1194 N THR A 157 20.585 7.701 7.092 1.00 13.59 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1668 ATOM 1195 CA THR A 157 21.533 8.657 6.546 1.00 13.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1669 ATOM 1196 C THR A 157 21.964 8.215 5.171 1.00 12.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1670 ATOM 1197 O THR A 157 21.902 7.038 4.820 1.00 13.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1671 ATOM 1198 CB THR A 157 22.788 8.763 7.394 1.00 13.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1672 ATOM 1199 OG1 THR A 157 23.420 7.478 7.555 1.00 14.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1673 ATOM 1200 CG2 THR A 157 22.426 9.202 8.843 1.00 15.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1674 ATOM 1201 N VAL A 158 22.397 9.198 4.397 1.00 12.76 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1675 ATOM 1202 CA VAL A 158 22.982 8.906 3.100 1.00 13.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1676 ATOM 1203 C VAL A 158 24.266 9.727 3.048 1.00 14.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1677 ATOM 1204 O VAL A 158 24.234 10.945 3.324 1.00 15.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1678 ATOM 1205 CB VAL A 158 22.049 9.336 1.946 1.00 13.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1679 ATOM 1206 CG1 VAL A 158 22.728 9.077 0.629 1.00 15.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1680 ATOM 1207 CG2 VAL A 158 20.756 8.524 2.005 1.00 15.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1681 ATOM 1208 N THR A 159 25.366 9.082 2.669 1.00 13.56 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1682 ATOM 1209 CA THR A 159 26.714 9.700 2.705 1.00 13.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1683 ATOM 1210 C THR A 159 27.468 9.329 1.429 1.00 13.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1684 ATOM 1211 O THR A 159 27.459 8.186 0.997 1.00 11.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1685 ATOM 1212 CB THR A 159 27.484 9.155 3.914 1.00 14.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1686 ATOM 1213 OG1 THR A 159 26.725 9.332 5.124 1.00 16.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1687 ATOM 1214 CG2 THR A 159 28.812 9.900 4.154 1.00 15.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1688 ATOM 1215 N LEU A 160 28.080 10.342 0.799 1.00 13.14 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1689 ATOM 1216 CA LEU A 160 28.933 10.052 -0.350 1.00 13.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1690 ATOM 1217 C LEU A 160 30.040 9.131 0.158 1.00 13.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1691 ATOM 1218 O LEU A 160 30.606 9.347 1.227 1.00 13.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1692 ATOM 1219 CB LEU A 160 29.554 11.381 -0.849 1.00 14.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1693 ATOM 1220 CG LEU A 160 30.563 11.210 -1.972 1.00 15.27 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1694 ATOM 1221 CD1 LEU A 160 29.835 10.755 -3.205 1.00 18.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1695 ATOM 1222 CD2 LEU A 160 31.192 12.591 -2.210 1.00 20.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1696 ATOM 1223 N ASP A 161 30.320 8.068 -0.594 1.00 12.14 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1697 ATOM 1224 CA ASP A 161 31.235 6.991 -0.147 1.00 12.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1698 ATOM 1225 C ASP A 161 32.716 7.257 -0.422 1.00 13.61 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1699 ATOM 1226 O ASP A 161 33.150 7.198 -1.570 1.00 14.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1700 ATOM 1227 CB ASP A 161 30.827 5.679 -0.806 1.00 12.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1701 ATOM 1228 CG ASP A 161 31.481 4.498 -0.172 1.00 11.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1702 ATOM 1229 OD1 ASP A 161 32.556 4.630 0.447 1.00 12.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1703 ATOM 1230 OD2 ASP A 161 30.996 3.387 -0.266 1.00 10.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1704 ATOM 1231 N GLU A 162 33.467 7.572 0.623 1.00 13.84 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1705 ATOM 1232 CA GLU A 162 34.907 7.713 0.496 1.00 15.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1706 ATOM 1233 C GLU A 162 35.595 6.706 1.443 1.00 15.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1707 ATOM 1234 O GLU A 162 36.732 6.930 1.856 1.00 15.88 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1708 ATOM 1235 CB GLU A 162 35.338 9.151 0.834 1.00 17.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1709 ATOM 1236 CG GLU A 162 34.864 10.215 -0.154 1.00 21.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1710 ATOM 1237 CD GLU A 162 35.251 11.639 0.232 1.00 31.70 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1711 ATOM 1238 OE1 GLU A 162 36.009 11.812 1.207 1.00 35.33 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1712 ATOM 1239 OE2 GLU A 162 34.787 12.572 -0.456 1.00 37.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1713 ATOM 1240 N VAL A 163 34.903 5.632 1.807 1.00 13.23 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1714 ATOM 1241 CA VAL A 163 35.465 4.675 2.782 1.00 14.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1715 ATOM 1242 C VAL A 163 35.434 3.203 2.403 1.00 12.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1716 ATOM 1243 O VAL A 163 36.120 2.385 2.999 1.00 14.20 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1717 ATOM 1244 CB VAL A 163 34.849 4.852 4.184 1.00 13.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1718 ATOM 1245 CG1 VAL A 163 35.147 6.283 4.697 1.00 15.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1719 ATOM 1246 CG2 VAL A 163 33.311 4.619 4.158 1.00 15.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1720 ATOM 1247 N ASN A 164 34.603 2.831 1.433 1.00 11.93 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1721 ATOM 1248 CA ASN A 164 34.473 1.434 1.041 1.00 11.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1722 ATOM 1249 C ASN A 164 35.150 1.095 -0.281 1.00 12.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1723 ATOM 1250 O ASN A 164 35.438 2.006 -1.056 1.00 13.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1724 ATOM 1251 CB ASN A 164 32.991 1.030 0.979 1.00 11.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1725 ATOM 1252 CG ASN A 164 32.303 1.177 2.315 1.00 11.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1726 ATOM 1253 OD1 ASN A 164 32.755 0.558 3.302 1.00 12.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1727 ATOM 1254 ND2 ASN A 164 31.279 2.001 2.390 1.00 11.10 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1728 ATOM 1255 N GLU A 165 35.378 -0.185 -0.535 1.00 12.65 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1729 ATOM 1256 CA GLU A 165 35.922 -0.564 -1.852 1.00 14.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1730 ATOM 1257 C GLU A 165 35.026 -0.022 -2.962 1.00 14.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1731 ATOM 1258 O GLU A 165 33.784 0.100 -2.815 1.00 14.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1732 ATOM 1259 CB GLU A 165 36.016 -2.086 -1.955 1.00 14.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1733 ATOM 1260 CG GLU A 165 34.661 -2.790 -1.895 1.00 19.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1734 ATOM 1261 CD GLU A 165 34.767 -4.294 -2.020 1.00 26.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1735 ATOM 1262 OE1 GLU A 165 35.596 -4.782 -2.843 1.00 27.35 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1736 ATOM 1263 OE2 GLU A 165 34.048 -4.982 -1.257 1.00 30.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1737 ATOM 1264 N ARG A 166 35.611 0.358 -4.092 1.00 13.76 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1738 ATOM 1265 CA ARG A 166 34.794 0.756 -5.214 1.00 15.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1739 ATOM 1266 C ARG A 166 34.056 -0.443 -5.771 1.00 16.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1740 ATOM 1267 O ARG A 166 34.653 -1.516 -5.983 1.00 17.84 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1741 ATOM 1268 CB ARG A 166 35.672 1.287 -6.333 1.00 14.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1742 ATOM 1269 CG ARG A 166 36.437 2.527 -5.932 1.00 14.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1743 ATOM 1270 CD ARG A 166 35.583 3.665 -5.486 1.00 13.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1744 ATOM 1271 NE ARG A 166 35.368 3.615 -4.015 1.00 13.41 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1745 ATOM 1272 CZ ARG A 166 34.675 4.532 -3.350 1.00 14.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1746 ATOM 1273 NH1 ARG A 166 34.109 5.520 -4.025 1.00 16.27 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1747 ATOM 1274 NH2 ARG A 166 34.533 4.453 -2.013 1.00 15.62 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1748 ATOM 1275 N ILE A 167 32.768 -0.233 -6.044 1.00 15.59 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1749 ATOM 1276 CA ILE A 167 31.904 -1.211 -6.672 1.00 17.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1750 ATOM 1277 C ILE A 167 31.998 -0.699 -8.152 1.00 18.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1751 ATOM 1278 O ILE A 167 31.987 0.463 -8.412 1.00 20.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1752 ATOM 1279 CB ILE A 167 30.436 -0.982 -6.119 1.00 16.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1753 ATOM 1280 CG1 ILE A 167 30.342 -1.274 -4.624 1.00 22.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1754 ATOM 1281 CG2 ILE A 167 29.406 -1.786 -6.911 1.00 20.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1755 ATOM 1282 CD1 ILE A 167 28.890 -1.036 -4.085 1.00 22.86 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1756 ATOM 1283 N GLY A 168 32.081 -1.548 -9.109 1.00 19.91 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1757 ATOM 1284 CA GLY A 168 32.107 -1.014 -10.448 1.00 16.64 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1758 ATOM 1285 C GLY A 168 30.708 -0.523 -10.758 1.00 16.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1759 ATOM 1286 O GLY A 168 30.507 0.574 -11.328 1.00 15.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1760 ATOM 1287 N ARG A 169 29.754 -1.385 -10.416 1.00 13.71 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1761 ATOM 1288 CA ARG A 169 28.323 -1.048 -10.529 1.00 12.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1762 ATOM 1289 C ARG A 169 27.601 -2.080 -9.695 1.00 13.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1763 ATOM 1290 O ARG A 169 27.993 -3.244 -9.685 1.00 14.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1764 ATOM 1291 CB ARG A 169 27.850 -1.254 -11.992 1.00 12.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1765 ATOM 1292 CG ARG A 169 26.416 -0.855 -12.240 1.00 12.66 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1766 ATOM 1293 CD ARG A 169 25.813 -1.448 -13.586 1.00 12.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1767 ATOM 1294 NE ARG A 169 25.899 -2.917 -13.623 1.00 12.81 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1768 ATOM 1295 CZ ARG A 169 26.759 -3.606 -14.391 1.00 13.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1769 ATOM 1296 NH1 ARG A 169 27.574 -2.946 -15.201 1.00 15.22 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1770 ATOM 1297 NH2 ARG A 169 26.787 -4.939 -14.358 1.00 14.88 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1771 ATOM 1298 N GLY A 170 26.533 -1.645 -8.999 1.00 11.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1772 ATOM 1299 CA GLY A 170 25.748 -2.580 -8.211 1.00 11.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1773 ATOM 1300 C GLY A 170 25.575 -2.142 -6.784 1.00 11.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1774 ATOM 1301 O GLY A 170 25.657 -0.960 -6.457 1.00 12.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1775 ATOM 1302 N THR A 171 25.315 -3.129 -5.929 1.00 10.25 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1776 ATOM 1303 CA THR A 171 24.936 -2.776 -4.565 1.00 11.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1777 ATOM 1304 C THR A 171 25.505 -3.827 -3.617 1.00 11.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1778 ATOM 1305 O THR A 171 25.513 -5.023 -3.915 1.00 12.20 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1779 ATOM 1306 CB THR A 171 23.393 -2.853 -4.494 1.00 12.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1780 ATOM 1307 OG1 THR A 171 22.816 -1.800 -5.313 1.00 11.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1781 ATOM 1308 CG2 THR A 171 22.878 -2.566 -3.082 1.00 13.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1782 ATOM 1309 N ILE A 172 25.927 -3.354 -2.439 1.00 10.31 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1783 ATOM 1310 CA ILE A 172 26.300 -4.243 -1.335 1.00 10.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1784 ATOM 1311 C ILE A 172 25.370 -3.966 -0.173 1.00 10.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1785 ATOM 1312 O ILE A 172 25.225 -2.813 0.247 1.00 11.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1786 ATOM 1313 CB ILE A 172 27.700 -3.917 -0.848 1.00 11.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1787 ATOM 1314 CG1 ILE A 172 28.695 -4.250 -1.965 1.00 11.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1788 ATOM 1315 CG2 ILE A 172 28.044 -4.796 0.398 1.00 12.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1789 ATOM 1316 CD1 ILE A 172 30.176 -3.871 -1.634 1.00 15.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1790 ATOM 1317 N LEU A 173 24.756 -5.009 0.356 1.00 10.88 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1791 ATOM 1318 CA LEU A 173 24.007 -4.907 1.585 1.00 11.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1792 ATOM 1319 C LEU A 173 24.973 -5.427 2.638 1.00 10.85 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1793 ATOM 1320 O LEU A 173 25.332 -6.609 2.619 1.00 12.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1794 ATOM 1321 CB LEU A 173 22.755 -5.791 1.531 1.00 11.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1795 ATOM 1322 CG LEU A 173 21.487 -4.991 1.193 1.00 12.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1796 ATOM 1323 CD1 LEU A 173 21.559 -4.418 -0.201 1.00 14.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1797 ATOM 1324 CD2 LEU A 173 20.321 -5.971 1.309 1.00 13.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1798 ATOM 1325 N ARG A 174 25.363 -4.547 3.554 1.00 10.22 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1799 ATOM 1326 CA ARG A 174 26.299 -4.924 4.608 1.00 11.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1800 ATOM 1327 C ARG A 174 25.463 -5.038 5.887 1.00 10.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1801 ATOM 1328 O ARG A 174 25.007 -4.024 6.438 1.00 11.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1802 ATOM 1329 CB ARG A 174 27.417 -3.877 4.718 1.00 10.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1803 ATOM 1330 CG ARG A 174 28.383 -4.128 5.942 1.00 11.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1804 ATOM 1331 CD ARG A 174 29.438 -3.065 6.014 1.00 11.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1805 ATOM 1332 NE ARG A 174 30.352 -3.153 4.857 1.00 11.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1806 ATOM 1333 CZ ARG A 174 31.107 -2.146 4.433 1.00 11.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1807 ATOM 1334 NH1 ARG A 174 30.986 -0.933 5.000 1.00 13.28 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1808 ATOM 1335 NH2 ARG A 174 31.974 -2.390 3.420 1.00 11.72 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1809 ATOM 1336 N LEU A 175 25.268 -6.281 6.338 1.00 11.00 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1810 ATOM 1337 CA LEU A 175 24.378 -6.575 7.475 1.00 11.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1811 ATOM 1338 C LEU A 175 25.256 -6.706 8.709 1.00 11.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1812 ATOM 1339 O LEU A 175 26.235 -7.463 8.701 1.00 13.39 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1813 ATOM 1340 CB LEU A 175 23.653 -7.907 7.267 1.00 12.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1814 ATOM 1341 CG LEU A 175 22.823 -8.055 5.996 1.00 15.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1815 ATOM 1342 CD1 LEU A 175 21.923 -9.283 6.271 1.00 16.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1816 ATOM 1343 CD2 LEU A 175 21.992 -6.894 5.638 1.00 17.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1817 ATOM 1344 N PHE A 176 24.916 -5.927 9.736 1.00 12.89 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1818 ATOM 1345 CA PHE A 176 25.616 -6.076 11.026 1.00 13.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1819 ATOM 1346 C PHE A 176 24.753 -6.999 11.838 1.00 14.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1820 ATOM 1347 O PHE A 176 23.688 -6.629 12.339 1.00 14.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1821 ATOM 1348 CB PHE A 176 25.786 -4.719 11.687 1.00 14.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1822 ATOM 1349 CG PHE A 176 26.679 -3.787 10.905 1.00 15.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1823 ATOM 1350 CD1 PHE A 176 26.176 -3.064 9.849 1.00 13.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1824 ATOM 1351 CD2 PHE A 176 28.021 -3.643 11.241 1.00 16.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1825 ATOM 1352 CE1 PHE A 176 27.004 -2.238 9.106 1.00 15.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1826 ATOM 1353 CE2 PHE A 176 28.869 -2.805 10.525 1.00 18.31 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1827 ATOM 1354 CZ PHE A 176 28.342 -2.077 9.447 1.00 15.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1828 ATOM 1355 N LEU A 177 25.203 -8.238 11.920 1.00 14.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1829 ATOM 1356 CA LEU A 177 24.423 -9.300 12.531 1.00 14.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1830 ATOM 1357 C LEU A 177 24.225 -9.138 14.033 1.00 15.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1831 ATOM 1358 O LEU A 177 25.103 -8.676 14.760 1.00 16.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1832 ATOM 1359 CB LEU A 177 25.099 -10.631 12.234 1.00 15.17 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1833 ATOM 1360 CG LEU A 177 25.171 -11.070 10.771 1.00 15.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1834 ATOM 1361 CD1 LEU A 177 25.866 -12.458 10.708 1.00 19.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1835 ATOM 1362 CD2 LEU A 177 23.823 -11.186 10.067 1.00 16.38 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1836 ATOM 1363 N LYS A 178 23.037 -9.540 14.459 1.00 16.17 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1837 ATOM 1364 CA LYS A 178 22.733 -9.594 15.912 1.00 18.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1838 ATOM 1365 C LYS A 178 23.618 -10.647 16.571 1.00 19.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1839 ATOM 1366 O LYS A 178 23.992 -11.614 15.945 1.00 19.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1840 ATOM 1367 CB LYS A 178 21.282 -9.978 16.107 1.00 18.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1841 ATOM 1368 CG LYS A 178 20.278 -8.938 15.624 1.00 17.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1842 ATOM 1369 CD LYS A 178 18.885 -9.556 15.559 1.00 15.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1843 ATOM 1370 CE LYS A 178 17.796 -8.529 15.399 1.00 18.54 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1844 ATOM 1371 NZ LYS A 178 16.381 -9.113 15.295 1.00 17.82 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1845 ATOM 1372 N ASP A 179 23.871 -10.481 17.862 1.00 22.26 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1846 ATOM 1373 CA ASP A 179 24.811 -11.372 18.561 1.00 25.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1847 ATOM 1374 C ASP A 179 24.383 -12.833 18.593 1.00 26.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1848 ATOM 1375 O ASP A 179 25.235 -13.734 18.717 1.00 26.73 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1849 ATOM 1376 CB ASP A 179 25.031 -10.873 19.988 1.00 26.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1850 ATOM 1377 CG ASP A 179 26.019 -9.756 20.060 1.00 32.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1851 ATOM 1378 OD1 ASP A 179 26.803 -9.622 19.099 1.00 34.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1852 ATOM 1379 OD2 ASP A 179 26.091 -8.966 21.023 1.00 38.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1853 ATOM 1380 N ASP A 180 23.088 -13.095 18.464 1.00 26.82 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1854 ATOM 1381 CA ASP A 180 22.637 -14.471 18.489 1.00 27.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1855 ATOM 1382 C ASP A 180 22.365 -15.026 17.105 1.00 26.39 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1856 ATOM 1383 O ASP A 180 21.808 -16.111 16.951 1.00 25.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1857 ATOM 1384 CB ASP A 180 21.413 -14.618 19.394 1.00 29.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1858 ATOM 1385 CG ASP A 180 20.174 -14.010 18.804 1.00 33.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1859 ATOM 1386 OD1 ASP A 180 20.268 -12.943 18.160 1.00 34.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1860 ATOM 1387 OD2 ASP A 180 19.044 -14.525 18.948 1.00 40.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1861 ATOM 1388 N GLN A 181 22.789 -14.294 16.066 1.00 24.20 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1862 ATOM 1389 CA GLN A 181 22.552 -14.768 14.727 1.00 24.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1863 ATOM 1390 C GLN A 181 23.860 -14.949 13.965 1.00 24.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1864 ATOM 1391 O GLN A 181 23.862 -14.929 12.738 1.00 24.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1865 ATOM 1392 CB GLN A 181 21.621 -13.794 13.957 1.00 22.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1866 ATOM 1393 CG GLN A 181 20.299 -13.572 14.629 1.00 24.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1867 ATOM 1394 CD GLN A 181 19.468 -14.827 14.708 1.00 24.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1868 ATOM 1395 OE1 GLN A 181 19.446 -15.638 13.789 1.00 25.92 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1869 ATOM 1396 NE2 GLN A 181 18.741 -14.970 15.820 1.00 27.75 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1870 ATOM 1397 N LEU A 182 24.950 -15.203 14.688 1.00 24.19 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1871 ATOM 1398 CA LEU A 182 26.232 -15.342 14.021 1.00 23.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1872 ATOM 1399 C LEU A 182 26.367 -16.613 13.204 1.00 23.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1873 ATOM 1400 O LEU A 182 27.361 -16.808 12.512 1.00 23.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1874 ATOM 1401 CB LEU A 182 27.382 -15.186 15.012 1.00 24.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1875 ATOM 1402 CG LEU A 182 27.338 -13.899 15.822 1.00 25.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1876 ATOM 1403 CD1 LEU A 182 28.549 -13.788 16.696 1.00 26.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1877 ATOM 1404 CD2 LEU A 182 27.270 -12.683 14.827 1.00 26.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1878 ATOM 1405 N GLU A 183 25.369 -17.493 13.246 1.00 22.60 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1879 ATOM 1406 CA GLU A 183 25.490 -18.695 12.437 1.00 21.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1880 ATOM 1407 C GLU A 183 25.550 -18.346 10.951 1.00 21.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1881 ATOM 1408 O GLU A 183 25.972 -19.138 10.116 1.00 20.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1882 ATOM 1409 CB GLU A 183 24.284 -19.631 12.687 1.00 22.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1883 ATOM 1410 CG GLU A 183 22.952 -19.030 12.254 1.00 22.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1884 ATOM 1411 CD GLU A 183 21.726 -19.856 12.736 1.00 22.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1885 ATOM 1412 OE1 GLU A 183 21.387 -19.653 13.921 1.00 27.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1886 ATOM 1413 OE2 GLU A 183 21.136 -20.627 11.951 1.00 25.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1887 ATOM 1414 N TYR A 184 25.049 -17.158 10.616 1.00 20.91 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1888 ATOM 1415 CA TYR A 184 25.007 -16.803 9.208 1.00 21.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1889 ATOM 1416 C TYR A 184 26.342 -16.333 8.692 1.00 22.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1890 ATOM 1417 O TYR A 184 26.411 -15.858 7.557 1.00 22.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1891 ATOM 1418 CB TYR A 184 23.883 -15.778 8.920 1.00 19.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1892 ATOM 1419 CG TYR A 184 22.557 -16.401 9.264 1.00 18.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1893 ATOM 1420 CD1 TYR A 184 21.855 -16.011 10.402 1.00 19.58 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1894 ATOM 1421 CD2 TYR A 184 22.051 -17.436 8.500 1.00 17.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1895 ATOM 1422 CE1 TYR A 184 20.643 -16.674 10.768 1.00 19.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1896 ATOM 1423 CE2 TYR A 184 20.863 -18.093 8.828 1.00 19.74 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1897 ATOM 1424 CZ TYR A 184 20.156 -17.689 9.972 1.00 21.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1898 ATOM 1425 OH TYR A 184 18.989 -18.366 10.311 1.00 21.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1899 ATOM 1426 N LEU A 185 27.370 -16.428 9.522 1.00 21.86 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1900 ATOM 1427 CA LEU A 185 28.764 -16.187 9.101 1.00 22.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1901 ATOM 1428 C LEU A 185 29.407 -17.489 8.659 1.00 24.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1902 ATOM 1429 O LEU A 185 30.464 -17.500 8.037 1.00 24.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1903 ATOM 1430 CB LEU A 185 29.597 -15.607 10.242 1.00 23.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1904 ATOM 1431 CG LEU A 185 29.202 -14.242 10.801 1.00 22.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1905 ATOM 1432 CD1 LEU A 185 29.972 -13.928 12.078 1.00 24.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1906 ATOM 1433 CD2 LEU A 185 29.417 -13.144 9.753 1.00 23.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1907 ATOM 1434 N GLU A 186 28.779 -18.605 8.998 1.00 23.84 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1908 ATOM 1435 CA GLU A 186 29.375 -19.906 8.679 1.00 24.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1909 ATOM 1436 C GLU A 186 29.098 -20.443 7.268 1.00 23.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1910 ATOM 1437 O GLU A 186 27.959 -20.513 6.776 1.00 23.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1911 ATOM 1438 CB GLU A 186 28.893 -20.924 9.718 1.00 24.45 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1912 ATOM 1439 CG GLU A 186 29.200 -20.572 11.159 1.00 29.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1913 ATOM 1440 CD GLU A 186 28.417 -21.465 12.118 1.00 35.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1914 ATOM 1441 OE1 GLU A 186 27.623 -22.327 11.661 1.00 37.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1915 ATOM 1442 OE2 GLU A 186 28.605 -21.289 13.336 1.00 40.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1916 ATOM 1443 N GLU A 187 30.157 -20.911 6.606 1.00 24.73 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1917 ATOM 1444 CA GLU A 187 30.053 -21.429 5.264 1.00 23.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1918 ATOM 1445 C GLU A 187 28.987 -22.493 5.056 1.00 24.37 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1919 ATOM 1446 O GLU A 187 28.227 -22.447 4.110 1.00 24.09 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1920 ATOM 1447 CB GLU A 187 31.430 -22.006 4.829 1.00 24.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1921 ATOM 1448 CG GLU A 187 31.413 -22.699 3.486 1.00 26.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1922 ATOM 1449 CD GLU A 187 32.790 -23.256 3.073 1.00 24.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1923 ATOM 1450 OE1 GLU A 187 33.662 -23.355 3.965 1.00 30.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1924 ATOM 1451 OE2 GLU A 187 32.978 -23.572 1.881 1.00 28.81 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1925 ATOM 1452 N LYS A 188 28.968 -23.485 5.936 1.00 24.97 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1926 ATOM 1453 CA LYS A 188 28.039 -24.587 5.769 1.00 25.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1927 ATOM 1454 C LYS A 188 26.578 -24.114 5.898 1.00 24.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1928 ATOM 1455 O LYS A 188 25.727 -24.483 5.089 1.00 25.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1929 ATOM 1456 CB LYS A 188 28.363 -25.679 6.795 1.00 26.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1930 ATOM 1457 CG LYS A 188 27.519 -26.921 6.673 1.00 30.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1931 ATOM 1458 N ARG A 189 26.344 -23.246 6.872 1.00 24.94 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1932 ATOM 1459 CA ARG A 189 25.009 -22.692 7.104 1.00 24.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1933 ATOM 1460 C ARG A 189 24.530 -21.875 5.902 1.00 24.04 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1934 ATOM 1461 O ARG A 189 23.431 -22.067 5.378 1.00 24.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1935 ATOM 1462 CB ARG A 189 25.006 -21.834 8.356 1.00 24.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1936 ATOM 1463 CG ARG A 189 23.608 -21.322 8.694 1.00 23.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1937 ATOM 1464 CD ARG A 189 22.629 -22.427 9.164 1.00 25.79 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1938 ATOM 1465 NE ARG A 189 21.376 -21.808 9.644 1.00 23.93 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1939 ATOM 1466 CZ ARG A 189 20.168 -22.072 9.180 1.00 24.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1940 ATOM 1467 NH1 ARG A 189 19.967 -22.969 8.221 1.00 26.80 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1941 ATOM 1468 NH2 ARG A 189 19.132 -21.410 9.698 1.00 25.67 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1942 ATOM 1469 N ILE A 190 25.385 -20.968 5.434 1.00 24.14 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1943 ATOM 1470 CA ILE A 190 25.010 -20.194 4.249 1.00 23.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1944 ATOM 1471 C ILE A 190 24.672 -21.042 3.042 1.00 23.92 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1945 ATOM 1472 O ILE A 190 23.657 -20.851 2.393 1.00 22.40 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1946 ATOM 1473 CB ILE A 190 26.137 -19.188 3.884 1.00 23.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1947 ATOM 1474 CG1 ILE A 190 26.387 -18.211 5.016 1.00 23.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1948 ATOM 1475 CG2 ILE A 190 25.834 -18.506 2.535 1.00 22.53 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1949 ATOM 1476 CD1 ILE A 190 27.700 -17.469 4.845 1.00 24.47 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1950 ATOM 1477 N LYS A 191 25.509 -22.046 2.723 1.00 24.16 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1951 ATOM 1478 CA LYS A 191 25.239 -22.839 1.552 1.00 25.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1952 ATOM 1479 C LYS A 191 23.919 -23.593 1.723 1.00 24.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1953 ATOM 1480 O LYS A 191 23.192 -23.820 0.752 1.00 24.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1954 ATOM 1481 CB LYS A 191 26.330 -23.920 1.353 1.00 24.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1955 ATOM 1482 CG LYS A 191 27.699 -23.336 1.042 1.00 28.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1956 ATOM 1483 CD LYS A 191 28.682 -24.431 0.591 1.00 35.41 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1957 ATOM 1484 CE LYS A 191 29.954 -23.737 0.171 1.00 39.40 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1958 ATOM 1485 NZ LYS A 191 31.007 -24.749 -0.092 1.00 45.73 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1959 ATOM 1486 N GLU A 192 23.634 -24.021 2.954 1.00 25.29 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1960 ATOM 1487 CA GLU A 192 22.424 -24.776 3.232 1.00 26.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1961 ATOM 1488 C GLU A 192 21.184 -23.917 3.007 1.00 25.26 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1962 ATOM 1489 O GLU A 192 20.188 -24.365 2.427 1.00 25.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1963 ATOM 1490 CB GLU A 192 22.462 -25.289 4.670 1.00 26.92 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1964 ATOM 1491 CG GLU A 192 21.098 -25.705 5.169 1.00 34.28 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1965 ATOM 1492 CD GLU A 192 21.158 -26.290 6.550 1.00 42.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1966 ATOM 1493 OE1 GLU A 192 22.291 -26.373 7.108 1.00 47.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1967 ATOM 1494 OE2 GLU A 192 20.074 -26.686 7.048 1.00 47.47 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1968 ATOM 1495 N VAL A 193 21.271 -22.659 3.435 1.00 24.16 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1969 ATOM 1496 CA VAL A 193 20.135 -21.741 3.257 1.00 23.42 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1970 ATOM 1497 C VAL A 193 19.855 -21.405 1.791 1.00 23.67 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1971 ATOM 1498 O VAL A 193 18.701 -21.387 1.361 1.00 23.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1972 ATOM 1499 CB VAL A 193 20.322 -20.475 4.141 1.00 23.01 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1973 ATOM 1500 CG1 VAL A 193 19.213 -19.446 3.923 1.00 22.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1974 ATOM 1501 CG2 VAL A 193 20.388 -20.877 5.612 1.00 22.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1975 ATOM 1502 N ILE A 194 20.917 -21.169 1.028 1.00 24.02 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1976 ATOM 1503 CA ILE A 194 20.809 -20.862 -0.398 1.00 26.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1977 ATOM 1504 C ILE A 194 20.224 -22.003 -1.163 1.00 26.80 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1978 ATOM 1505 O ILE A 194 19.315 -21.841 -1.947 1.00 27.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1979 ATOM 1506 CB ILE A 194 22.230 -20.559 -0.979 1.00 26.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1980 ATOM 1507 CG1 ILE A 194 22.781 -19.267 -0.392 1.00 28.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1981 ATOM 1508 CG2 ILE A 194 22.195 -20.516 -2.495 1.00 26.98 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1982 ATOM 1509 CD1 ILE A 194 24.237 -19.040 -0.752 1.00 28.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1983 ATOM 1510 N LYS A 195 20.740 -23.205 -0.905 1.00 28.45 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1984 ATOM 1511 CA LYS A 195 20.309 -24.360 -1.661 1.00 29.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1985 ATOM 1512 C LYS A 195 18.847 -24.618 -1.424 1.00 29.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1986 ATOM 1513 O LYS A 195 18.135 -25.065 -2.305 1.00 31.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1987 ATOM 1514 CB LYS A 195 21.129 -25.609 -1.286 1.00 29.69 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1988 ATOM 1515 CG LYS A 195 22.578 -25.578 -1.770 1.00 32.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1989 ATOM 1516 CD LYS A 195 23.380 -26.742 -1.178 1.00 37.32 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1990 ATOM 1517 N ARG A 196 18.385 -24.267 -0.232 1.00 30.12 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1991 ATOM 1518 CA ARG A 196 17.006 -24.529 0.141 1.00 30.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1992 ATOM 1519 C ARG A 196 15.973 -23.621 -0.514 1.00 31.15 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1993 ATOM 1520 O ARG A 196 14.962 -24.078 -1.040 1.00 31.18 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1994 ATOM 1521 CB ARG A 196 16.852 -24.444 1.662 1.00 30.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1995 ATOM 1522 N HIS A 197 16.213 -22.320 -0.472 1.00 31.30 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1996 ATOM 1523 CA HIS A 197 15.170 -21.381 -0.865 1.00 32.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1997 ATOM 1524 C HIS A 197 15.467 -20.595 -2.109 1.00 31.68 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1998 ATOM 1525 O HIS A 197 14.626 -19.822 -2.533 1.00 33.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

1999 ATOM 1526 CB HIS A 197 14.874 -20.378 0.267 1.00 32.30 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2000 ATOM 1527 CG HIS A 197 14.333 -20.999 1.516 1.00 34.55 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2001 ATOM 1528 ND1 HIS A 197 13.022 -21.410 1.637 1.00 35.22 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2002 ATOM 1529 CD2 HIS A 197 14.925 -21.278 2.702 1.00 36.14 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2003 ATOM 1530 CE1 HIS A 197 12.831 -21.923 2.840 1.00 36.60 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2004 ATOM 1531 NE2 HIS A 197 13.970 -21.860 3.505 1.00 36.96 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2005 ATOM 1532 N SER A 198 16.639 -20.770 -2.711 1.00 31.20 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2006 ATOM 1533 CA SER A 198 16.951 -20.003 -3.917 1.00 30.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2007 ATOM 1534 C SER A 198 17.495 -20.879 -5.031 1.00 31.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2008 ATOM 1535 O SER A 198 18.578 -20.606 -5.497 1.00 31.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2009 ATOM 1536 CB SER A 198 18.002 -18.890 -3.621 1.00 29.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2010 ATOM 1537 OG SER A 198 17.649 -18.037 -2.528 1.00 26.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2011 ATOM 1538 N GLU A 199 16.734 -21.883 -5.502 1.00 30.63 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2012 ATOM 1539 CA GLU A 199 17.214 -22.832 -6.546 1.00 30.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2013 ATOM 1540 C GLU A 199 17.195 -22.336 -8.020 1.00 29.62 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2014 ATOM 1541 O GLU A 199 17.976 -22.780 -8.886 1.00 31.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2015 ATOM 1542 CB GLU A 199 16.366 -24.121 -6.487 1.00 31.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2016 ATOM 1543 CG GLU A 199 16.629 -25.095 -7.643 1.00 34.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2017 ATOM 1544 CD GLU A 199 15.748 -26.356 -7.634 1.00 39.72 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2018 ATOM 1545 OE1 GLU A 199 14.844 -26.482 -6.777 1.00 42.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2019 ATOM 1546 OE2 GLU A 199 15.955 -27.232 -8.507 1.00 42.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2020 ATOM 1547 N PHE A 200 16.284 -21.437 -8.317 1.00 26.88 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2021 ATOM 1548 CA PHE A 200 16.134 -20.992 -9.694 1.00 23.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2022 ATOM 1549 C PHE A 200 16.568 -19.563 -9.844 1.00 22.93 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2023 ATOM 1550 O PHE A 200 15.766 -18.696 -10.127 1.00 23.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2024 ATOM 1551 CB PHE A 200 14.660 -21.137 -10.081 1.00 23.63 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2025 ATOM 1552 CG PHE A 200 14.217 -22.567 -10.135 1.00 22.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2026 ATOM 1553 CD1 PHE A 200 13.454 -23.104 -9.134 1.00 23.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2027 ATOM 1554 CD2 PHE A 200 14.618 -23.384 -11.182 1.00 24.90 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2028 ATOM 1555 CE1 PHE A 200 13.069 -24.460 -9.192 1.00 25.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2029 ATOM 1556 CE2 PHE A 200 14.240 -24.716 -11.235 1.00 26.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2030 ATOM 1557 CZ PHE A 200 13.465 -25.241 -10.249 1.00 25.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2031 ATOM 1558 N VAL A 201 17.860 -19.337 -9.700 1.00 21.72 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2032 ATOM 1559 CA VAL A 201 18.432 -18.003 -9.837 1.00 22.07 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2033 ATOM 1560 C VAL A 201 19.265 -18.052 -11.097 1.00 22.48 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2034 ATOM 1561 O VAL A 201 20.046 -18.978 -11.283 1.00 23.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2035 ATOM 1562 CB VAL A 201 19.287 -17.682 -8.578 1.00 22.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2036 ATOM 1563 CG1 VAL A 201 20.004 -16.346 -8.707 1.00 21.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2037 ATOM 1564 CG2 VAL A 201 18.408 -17.689 -7.341 1.00 22.06 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2038 ATOM 1565 N ALA A 202 19.106 -17.074 -11.972 1.00 20.94 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2039 ATOM 1566 CA ALA A 202 19.748 -17.091 -13.278 1.00 21.82 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2040 ATOM 1567 C ALA A 202 21.225 -16.709 -13.245 1.00 22.43 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2041 ATOM 1568 O ALA A 202 21.946 -16.934 -14.216 1.00 24.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2042 ATOM 1569 CB ALA A 202 18.992 -16.198 -14.251 1.00 21.73 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2043 ATOM 1570 N TYR A 203 21.686 -16.186 -12.110 1.00 20.88 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2044 ATOM 1571 CA TYR A 203 23.050 -15.656 -11.979 1.00 19.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2045 ATOM 1572 C TYR A 203 23.854 -16.507 -11.027 1.00 18.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2046 ATOM 1573 O TYR A 203 23.291 -17.098 -10.134 1.00 19.67 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2047 ATOM 1574 CB TYR A 203 22.945 -14.230 -11.410 1.00 19.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2048 ATOM 1575 CG TYR A 203 22.028 -13.380 -12.257 1.00 17.36 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2049 ATOM 1576 CD1 TYR A 203 20.700 -13.152 -11.894 1.00 15.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2050 ATOM 1577 CD2 TYR A 203 22.465 -12.864 -13.463 1.00 17.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2051 ATOM 1578 CE1 TYR A 203 19.858 -12.405 -12.692 1.00 16.81 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2052 ATOM 1579 CE2 TYR A 203 21.652 -12.163 -14.274 1.00 18.19 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2053 ATOM 1580 CZ TYR A 203 20.319 -11.887 -13.884 1.00 15.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2054 ATOM 1581 OH TYR A 203 19.496 -11.146 -14.692 1.00 18.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2055 ATOM 1582 N PRO A 204 25.181 -16.554 -11.169 1.00 18.13 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2056 ATOM 1583 CA PRO A 204 26.001 -17.326 -10.245 1.00 17.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2057 ATOM 1584 C PRO A 204 25.905 -16.718 -8.864 1.00 17.11 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2058 ATOM 1585 O PRO A 204 25.905 -15.480 -8.771 1.00 18.55 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2059 ATOM 1586 CB PRO A 204 27.440 -17.120 -10.766 1.00 19.77 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2060 ATOM 1587 CG PRO A 204 27.373 -16.070 -11.818 1.00 20.03 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2061 ATOM 1588 CD PRO A 204 25.961 -15.878 -12.211 1.00 17.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2062 ATOM 1589 N ILE A 205 25.792 -17.566 -7.855 1.00 17.36 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2063 ATOM 1590 CA ILE A 205 25.810 -17.109 -6.472 1.00 16.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2064 ATOM 1591 C ILE A 205 27.160 -17.562 -5.917 1.00 18.22 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2065 ATOM 1592 O ILE A 205 27.458 -18.775 -5.829 1.00 19.73 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2066 ATOM 1593 CB ILE A 205 24.634 -17.685 -5.663 1.00 17.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2067 ATOM 1594 CG1 ILE A 205 23.309 -17.189 -6.240 1.00 18.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2068 ATOM 1595 CG2 ILE A 205 24.783 -17.265 -4.190 1.00 19.57 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2069 ATOM 1596 CD1 ILE A 205 22.083 -17.827 -5.600 1.00 17.84 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2070 ATOM 1597 N GLN A 206 28.023 -16.594 -5.648 1.00 16.15 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2071 ATOM 1598 CA GLN A 206 29.388 -16.853 -5.190 1.00 15.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2072 ATOM 1599 C GLN A 206 29.480 -16.696 -3.696 1.00 17.50 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2073 ATOM 1600 O GLN A 206 28.876 -15.790 -3.120 1.00 18.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2074 ATOM 1601 CB GLN A 206 30.333 -15.850 -5.867 1.00 15.65 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2075 ATOM 1602 CG GLN A 206 30.303 -15.987 -7.365 1.00 18.97 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2076 ATOM 1603 CD GLN A 206 31.011 -14.893 -8.094 1.00 23.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2077 ATOM 1604 OE1 GLN A 206 31.338 -13.866 -7.526 1.00 22.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2078 ATOM 1605 NE2 GLN A 206 31.241 -15.102 -9.390 1.00 27.66 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2079 ATOM 1606 N LEU A 207 30.228 -17.581 -3.041 1.00 16.00 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2080 ATOM 1607 CA LEU A 207 30.426 -17.500 -1.612 1.00 15.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2081 ATOM 1608 C LEU A 207 31.925 -17.327 -1.397 1.00 16.12 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2082 ATOM 1609 O LEU A 207 32.731 -18.086 -1.938 1.00 16.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2083 ATOM 1610 CB LEU A 207 29.940 -18.752 -0.873 1.00 16.44 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2084 ATOM 1611 CG LEU A 207 30.187 -18.793 0.630 1.00 18.88 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2085 ATOM 1612 CD1 LEU A 207 29.480 -17.631 1.321 1.00 17.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2086 ATOM 1613 CD2 LEU A 207 29.738 -20.133 1.215 1.00 23.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2087 ATOM 1614 N VAL A 208 32.280 -16.280 -0.662 1.00 14.72 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2088 ATOM 1615 CA VAL A 208 33.667 -15.925 -0.407 1.00 16.89 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2089 ATOM 1616 C VAL A 208 34.009 -16.453 0.958 1.00 18.46 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2090 ATOM 1617 O VAL A 208 33.405 -16.106 1.967 1.00 20.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2091 ATOM 1618 CB VAL A 208 33.865 -14.417 -0.420 1.00 16.76 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2092 ATOM 1619 CG1 VAL A 208 35.337 -14.062 -0.102 1.00 18.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2093 ATOM 1620 CG2 VAL A 208 33.439 -13.856 -1.742 1.00 16.87 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2094 ATOM 1621 N VAL A 209 34.938 -17.398 0.953 1.00 18.67 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2095 ATOM 1622 CA VAL A 209 35.324 -18.140 2.143 1.00 20.96 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2096 ATOM 1623 C VAL A 209 36.781 -17.880 2.423 1.00 20.78 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2097 ATOM 1624 O VAL A 209 37.614 -17.883 1.515 1.00 19.48 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2098 ATOM 1625 CB VAL A 209 35.129 -19.662 1.934 1.00 22.02 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2099 ATOM 1626 CG1 VAL A 209 35.595 -20.457 3.151 1.00 24.99 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2100 ATOM 1627 CG2 VAL A 209 33.678 -20.002 1.614 1.00 25.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2101 ATOM 1628 N THR A 210 37.087 -17.630 3.685 1.00 22.10 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2102 ATOM 1629 CA THR A 210 38.453 -17.347 4.073 1.00 24.71 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2103 ATOM 1630 C THR A 210 38.948 -18.522 4.879 1.00 26.51 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2104 ATOM 1631 O THR A 210 38.313 -18.890 5.881 1.00 28.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2105 ATOM 1632 CB THR A 210 38.465 -16.058 4.913 1.00 24.35 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2106 ATOM 1633 OG1 THR A 210 38.021 -14.953 4.116 1.00 27.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2107 ATOM 1634 CG2 THR A 210 39.896 -15.664 5.290 1.00 26.08 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2108 ATOM 1635 N LYS A 211 40.055 -19.127 4.459 1.00 27.01 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2109 ATOM 1636 CA LYS A 211 40.613 -20.247 5.212 1.00 28.91 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2110 ATOM 1637 C LYS A 211 42.111 -20.182 5.416 1.00 28.24 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2111 ATOM 1638 O LYS A 211 42.858 -19.699 4.576 1.00 25.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2112 ATOM 1639 CB LYS A 211 40.305 -21.563 4.536 1.00 29.59 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2113 ATOM 1640 CG LYS A 211 41.080 -21.771 3.281 1.00 34.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2114 ATOM 1641 CD LYS A 211 40.475 -22.924 2.489 1.00 40.10 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2115 ATOM 1642 CE LYS A 211 41.184 -23.109 1.171 1.00 41.95 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2116 ATOM 1643 NZ LYS A 211 41.722 -21.833 0.641 1.00 42.46 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2117 ATOM 1644 N GLU A 212 42.537 -20.773 6.526 1.00 28.21 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2118 ATOM 1645 CA GLU A 212 43.942 -20.751 6.879 1.00 28.49 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2119 ATOM 1646 C GLU A 212 44.720 -21.797 6.103 1.00 28.75 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2120 ATOM 1647 O GLU A 212 44.278 -22.945 5.925 1.00 28.90 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2121 ATOM 1648 CB GLU A 212 44.126 -20.916 8.389 1.00 28.83 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2122 ATOM 1649 CG GLU A 212 45.576 -20.737 8.777 1.00 32.00 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2123 ATOM 1650 CD GLU A 212 45.821 -20.798 10.269 1.00 36.29 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2124 ATOM 1651 OE1 GLU A 212 44.870 -20.592 11.065 1.00 37.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2125 ATOM 1652 OE2 GLU A 212 46.994 -21.050 10.619 1.00 38.37 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2126 ATOM 1653 N VAL A 213 45.864 -21.398 5.575 1.00 28.37 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2127 ATOM 1654 CA VAL A 213 46.685 -22.329 4.853 1.00 30.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2128 ATOM 1655 C VAL A 213 47.507 -23.074 5.893 1.00 32.13 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2129 ATOM 1656 O VAL A 213 48.186 -22.459 6.715 1.00 32.70 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2130 ATOM 1657 CB VAL A 213 47.612 -21.610 3.876 1.00 29.56 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2131 ATOM 1658 CG1 VAL A 213 48.610 -22.595 3.292 1.00 31.34 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2132 ATOM 1659 CG2 VAL A 213 46.773 -20.946 2.765 1.00 27.94 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2133 ATOM 1660 N GLU A 214 47.425 -24.396 5.888 1.00 34.34 N

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2134 ATOM 1661 CA GLU A 214 48.167 -25.166 6.890 1.00 36.09 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2135 ATOM 1662 C GLU A 214 49.322 -25.926 6.250 1.00 37.21 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2136 ATOM 1663 O GLU A 214 50.269 -25.321 5.741 1.00 39.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2137 ATOM 1664 CB GLU A 214 47.235 -26.118 7.659 1.00 36.52 C

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2138 TER 1665 GLU A 214

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2139 HETATM 1692 O HOH A2001 33.747 10.121 4.457 1.00 32.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2140 HETATM 1693 O HOH A2002 33.709 14.705 5.205 1.00 49.78 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2141 HETATM 1694 O HOH A2003 33.271 8.020 7.785 1.00 58.21 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2142 HETATM 1695 O HOH A2004 27.559 13.039 1.851 1.00 20.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2143 HETATM 1696 O HOH A2005 31.138 7.178 5.627 1.00 21.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2144 HETATM 1697 O HOH A2006 28.574 13.706 9.058 1.00 46.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2145 HETATM 1698 O HOH A2007 28.546 8.223 7.731 1.00 47.90 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2146 HETATM 1699 O HOH A2008 27.013 8.881 9.642 1.00 55.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2147 HETATM 1700 O HOH A2009 19.244 16.751 3.298 1.00 47.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2148 HETATM 1701 O HOH A2010 23.223 17.640 -0.465 1.00 46.37 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2149 HETATM 1702 O HOH A2011 24.682 12.764 1.192 1.00 20.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2150 HETATM 1703 O HOH A2012 20.694 17.297 -0.738 1.00 45.18 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2151 HETATM 1704 O HOH A2013 15.432 15.295 7.785 1.00 58.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2152 HETATM 1705 O HOH A2014 21.025 16.212 7.526 1.00 30.86 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2153 HETATM 1706 O HOH A2015 23.312 14.391 9.095 1.00 41.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2154 HETATM 1707 O HOH A2016 9.815 12.964 14.033 1.00 44.20 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2155 HETATM 1708 O HOH A2017 13.186 13.501 5.450 1.00 30.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2156 HETATM 1709 O HOH A2018 9.626 10.848 4.388 1.00 43.10 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2157 HETATM 1710 O HOH A2019 7.195 -5.599 18.415 1.00 29.96 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2158 HETATM 1711 O HOH A2020 4.979 -2.964 18.647 1.00 43.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2159 HETATM 1712 O HOH A2021 7.820 10.702 7.609 1.00 52.23 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2160 HETATM 1713 O HOH A2022 9.742 7.666 10.456 1.00 32.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2161 HETATM 1714 O HOH A2023 34.096 -7.584 -21.398 1.00 50.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2162 HETATM 1715 O HOH A2024 5.386 9.408 7.348 1.00 29.55 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2163 HETATM 1716 O HOH A2025 16.816 -21.086 12.638 1.00 44.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2164 HETATM 1717 O HOH A2026 -0.724 3.653 8.584 1.00 40.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2165 HETATM 1718 O HOH A2027 1.970 7.976 7.998 1.00 48.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2166 HETATM 1719 O HOH A2028 10.724 -19.006 -0.420 1.00 44.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2167 HETATM 1720 O HOH A2029 0.985 6.010 12.113 1.00 24.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2168 HETATM 1721 O HOH A2030 0.022 1.730 10.264 1.00 39.49 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2169 HETATM 1722 O HOH A2031 4.293 5.768 13.068 1.00 21.25 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2170 HETATM 1723 O HOH A2032 -0.683 3.969 12.617 1.00 28.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2171 HETATM 1724 O HOH A2033 14.080 -9.374 -17.331 1.00 50.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2172 HETATM 1725 O HOH A2034 10.771 -10.592 -11.300 1.00 50.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2173 HETATM 1726 O HOH A2035 11.590 -0.678 18.374 1.00 54.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2174 HETATM 1727 O HOH A2036 7.359 -3.326 17.547 1.00 28.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2175 HETATM 1728 O HOH A2037 15.774 2.096 -13.401 1.00 53.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2176 HETATM 1729 O HOH A2038 34.291 3.925 7.869 1.00 35.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2177 HETATM 1730 O HOH A2039 7.691 -7.873 16.784 1.00 29.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2178 HETATM 1731 O HOH A2040 23.338 -9.568 -20.564 1.00 43.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2179 HETATM 1732 O HOH A2041 13.676 -10.496 14.803 1.00 19.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2180 HETATM 1733 O HOH A2042 10.247 -9.320 21.199 1.00 46.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2181 HETATM 1734 O HOH A2043 29.672 -7.656 -21.175 1.00 33.76 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2182 HETATM 1735 O HOH A2044 33.311 -4.878 -21.320 1.00 33.21 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2183 HETATM 1736 O HOH A2045 14.148 -12.319 18.248 1.00 46.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2184 HETATM 1737 O HOH A2046 5.842 -9.807 16.214 1.00 53.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2185 HETATM 1738 O HOH A2047 26.047 -9.925 -20.577 1.00 44.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2186 HETATM 1739 O HOH A2048 28.205 -11.828 -19.169 1.00 51.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2187 HETATM 1740 O HOH A2049 7.018 -11.690 18.103 1.00 32.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2188 HETATM 1741 O HOH A2050 13.171 -16.808 18.103 1.00 50.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2189 HETATM 1742 O HOH A2051 7.630 -18.652 15.001 1.00 35.22 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2190 HETATM 1743 O HOH A2052 36.591 -10.836 -1.292 1.00 25.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2191 HETATM 1744 O HOH A2053 34.404 -0.608 6.743 1.00 35.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2192 HETATM 1745 O HOH A2054 9.515 -19.777 6.620 1.00 44.50 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2193 HETATM 1746 O HOH A2055 36.848 -10.426 6.341 1.00 47.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2194 HETATM 1747 O HOH A2056 32.564 -3.096 10.771 1.00 35.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2195 HETATM 1748 O HOH A2057 12.855 -13.652 14.741 1.00 52.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2196 HETATM 1749 O HOH A2058 16.136 -11.184 17.442 1.00 28.92 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2197 HETATM 1750 O HOH A2059 36.362 -8.361 1.620 1.00 47.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2198 HETATM 1751 O HOH A2060 16.315 -17.988 2.804 1.00 22.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2199 HETATM 1752 O HOH A2061 15.822 -20.072 10.246 1.00 27.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2200 HETATM 1753 O HOH A2062 20.234 11.327 -9.762 1.00 40.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2201 HETATM 1754 O HOH A2063 19.148 13.296 -3.775 1.00 29.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2202 HETATM 1755 O HOH A2064 16.311 13.256 -3.672 1.00 36.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2203 HETATM 1756 O HOH A2065 11.448 -16.597 0.466 1.00 44.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2204 HETATM 1757 O HOH A2066 9.304 -13.992 -1.223 1.00 31.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2205 HETATM 1758 O HOH A2067 12.407 -9.516 -1.443 1.00 23.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2206 HETATM 1759 O HOH A2068 10.668 -12.597 -2.734 1.00 44.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2207 HETATM 1760 O HOH A2069 12.596 -9.431 -5.073 1.00 27.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2208 HETATM 1761 O HOH A2070 1.608 -8.482 14.147 1.00 48.32 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2209 HETATM 1762 O HOH A2071 17.201 -15.025 -11.499 1.00 20.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2210 HETATM 1763 O HOH A2072 13.549 -11.769 -8.192 1.00 39.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2211 HETATM 1764 O HOH A2073 2.818 -18.261 3.819 1.00 31.04 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2212 HETATM 1765 O HOH A2074 5.425 -14.277 14.059 1.00 48.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2213 HETATM 1766 O HOH A2075 4.521 -19.472 2.688 1.00 51.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2214 HETATM 1767 O HOH A2076 15.026 -11.956 -10.804 1.00 18.48 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2215 HETATM 1768 O HOH A2077 16.542 -9.061 -17.872 1.00 24.53 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2216 HETATM 1769 O HOH A2078 16.235 -13.882 -13.814 1.00 21.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2217 HETATM 1770 O HOH A2079 12.907 -9.092 -12.533 1.00 32.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2218 HETATM 1771 O HOH A2080 13.357 -13.438 -13.316 1.00 48.14 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2219 HETATM 1772 O HOH A2081 6.007 -7.233 -5.401 1.00 38.88 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2220 HETATM 1773 O HOH A2082 11.234 -4.797 -9.620 1.00 47.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2221 HETATM 1774 O HOH A2083 12.365 -7.094 -14.089 1.00 39.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2222 HETATM 1775 O HOH A2084 19.449 -10.326 -21.937 1.00 52.16 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2223 HETATM 1776 O HOH A2085 16.931 -8.955 -20.507 1.00 32.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2224 HETATM 1777 O HOH A2086 16.367 -1.783 -22.987 1.00 22.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2225 HETATM 1778 O HOH A2087 9.857 -6.265 -22.362 1.00 44.47 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2226 HETATM 1779 O HOH A2088 18.605 -2.743 18.020 1.00 42.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2227 HETATM 1780 O HOH A2089 22.018 -0.385 16.840 1.00 52.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2228 HETATM 1781 O HOH A2090 16.817 2.096 -16.069 1.00 44.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2229 HETATM 1782 O HOH A2091 29.783 4.756 6.489 1.00 18.04 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2230 HETATM 1783 O HOH A2092 32.753 1.754 6.853 1.00 30.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2231 HETATM 1784 O HOH A2093 21.789 -7.514 -22.245 1.00 51.11 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2232 HETATM 1785 O HOH A2094 17.713 -3.402 -28.791 1.00 23.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2233 HETATM 1786 O HOH A2095 22.207 3.437 -26.628 1.00 34.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2234 HETATM 1787 O HOH A2096 23.300 13.407 -9.476 1.00 49.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2235 HETATM 1788 O HOH A2097 28.267 10.558 -11.801 1.00 47.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2236 HETATM 1789 O HOH A2098 20.470 13.539 -6.157 1.00 31.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2237 HETATM 1790 O HOH A2099 25.764 4.447 -22.312 1.00 50.74 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2238 HETATM 1791 O HOH A2100 19.813 4.548 -22.413 1.00 34.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2239 HETATM 1792 O HOH A2101 22.812 6.159 -22.746 1.00 43.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2240 HETATM 1793 O HOH A2102 23.354 14.605 -5.862 1.00 41.52 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2241 HETATM 1794 O HOH A2103 28.797 -4.073 -23.133 1.00 29.42 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2242 HETATM 1795 O HOH A2104 29.444 2.561 -19.078 1.00 35.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2243 HETATM 1796 O HOH A2105 25.471 1.632 -25.393 1.00 27.02 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2244 HETATM 1797 O HOH A2106 10.464 2.869 16.169 1.00 36.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2245 HETATM 1798 O HOH A2107 10.777 5.099 16.104 1.00 46.51 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2246 HETATM 1799 O HOH A2108 24.228 7.807 12.189 1.00 37.70 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2247 HETATM 1800 O HOH A2109 30.221 -2.262 -24.752 1.00 45.61 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2248 HETATM 1801 O HOH A2110 34.608 -3.096 -19.352 1.00 31.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2249 HETATM 1802 O HOH A2111 30.425 -4.992 -21.167 1.00 30.57 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2250 HETATM 1803 O HOH A2112 38.033 7.670 6.586 1.00 45.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2251 HETATM 1804 O HOH A2113 33.943 0.434 -13.436 1.00 30.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2252 HETATM 1805 O HOH A2114 34.408 -7.884 -13.954 1.00 41.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2253 HETATM 1806 O HOH A2115 34.588 -7.647 -10.005 1.00 49.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2254 HETATM 1807 O HOH A2116 31.065 -4.292 -10.048 1.00 36.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2255 HETATM 1808 O HOH A2117 34.993 -3.603 -12.266 1.00 61.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2256 HETATM 1809 O HOH A2118 28.396 -8.597 -19.692 1.00 37.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2257 HETATM 1810 O HOH A2119 35.488 -12.494 -15.453 1.00 49.36 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2258 HETATM 1811 O HOH A2120 28.573 -12.382 -16.500 1.00 26.20 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2259 HETATM 1812 O HOH A2121 28.107 -14.228 -14.841 1.00 34.66 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2260 HETATM 1813 O HOH A2122 33.791 -8.680 -3.550 1.00 26.24 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2261 HETATM 1814 O HOH A2123 33.175 -12.259 -11.103 1.00 49.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2262 HETATM 1815 O HOH A2124 34.219 -9.996 -10.662 1.00 49.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2263 HETATM 1816 O HOH A2125 33.931 -9.770 -1.084 1.00 18.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2264 HETATM 1817 O HOH A2126 29.983 -10.073 -1.046 1.00 14.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2265 HETATM 1818 O HOH A2127 34.283 -3.691 6.312 1.00 52.73 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2266 HETATM 1819 O HOH A2128 35.538 -4.454 2.209 1.00 29.62 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2267 HETATM 1820 O HOH A2129 36.664 -10.541 9.177 1.00 36.49 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2268 HETATM 1821 O HOH A2130 31.256 -4.198 13.063 1.00 35.53 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2269 HETATM 1822 O HOH A2131 27.222 -6.911 13.866 1.00 26.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2270 HETATM 1823 O HOH A2132 37.101 -15.593 7.746 1.00 52.39 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2271 HETATM 1824 O HOH A2133 30.500 -7.410 -0.778 1.00 13.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2272 HETATM 1825 O HOH A2134 34.160 -7.429 0.825 1.00 33.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2273 HETATM 1826 O HOH A2135 35.782 -6.720 -6.273 1.00 66.89 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2274 HETATM 1827 O HOH A2136 29.267 -5.097 -7.639 1.00 29.60 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2275 HETATM 1828 O HOH A2137 22.165 -3.147 -7.735 1.00 13.85 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2276 HETATM 1829 O HOH A2138 22.769 -7.431 -3.061 1.00 13.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2277 HETATM 1830 O HOH A2139 18.488 9.150 -9.990 1.00 25.35 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2278 HETATM 1831 O HOH A2140 19.606 15.343 -1.375 1.00 52.39 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2279 HETATM 1832 O HOH A2141 14.725 10.862 -3.931 1.00 31.08 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2280 HETATM 1833 O HOH A2142 14.612 5.821 -10.892 1.00 55.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2281 HETATM 1834 O HOH A2143 12.200 -1.654 -2.241 1.00 51.73 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2282 HETATM 1835 O HOH A2144 10.959 2.029 0.664 1.00 25.94 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2283 HETATM 1836 O HOH A2145 13.506 5.467 -7.080 1.00 29.28 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2284 HETATM 1837 O HOH A2146 15.169 2.395 -8.938 1.00 31.22 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2285 HETATM 1838 O HOH A2147 4.033 3.054 -1.673 1.00 34.89 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2286 HETATM 1839 O HOH A2148 5.131 1.970 -4.088 1.00 56.69 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2287 HETATM 1840 O HOH A2149 0.961 0.694 2.756 1.00 53.48 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2288 HETATM 1841 O HOH A2150 0.208 -0.805 0.182 1.00 63.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2289 HETATM 1842 O HOH A2151 4.955 -0.340 -1.556 1.00 27.21 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2290 HETATM 1843 O HOH A2152 3.379 -1.312 -3.190 1.00 58.54 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2291 HETATM 1844 O HOH A2153 -1.034 -1.615 1.915 1.00 51.43 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2292 HETATM 1845 O HOH A2154 -3.224 -6.840 3.824 1.00 25.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2293 HETATM 1846 O HOH A2155 1.254 -6.272 12.544 1.00 31.09 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2294 HETATM 1847 O HOH A2156 -5.168 -5.239 4.613 1.00 37.32 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2295 HETATM 1848 O HOH A2157 -0.546 -12.464 14.572 1.00 50.75 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2296 HETATM 1849 O HOH A2158 -7.125 -13.907 11.515 1.00 27.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2297 HETATM 1850 O HOH A2159 1.579 -13.312 11.846 1.00 24.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2298 HETATM 1851 O HOH A2160 0.857 -17.223 5.449 1.00 21.33 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2299 HETATM 1852 O HOH A2161 4.676 -15.628 11.148 1.00 25.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2300 HETATM 1853 O HOH A2162 7.007 -14.064 0.040 1.00 31.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2301 HETATM 1854 O HOH A2163 6.080 -17.938 1.677 1.00 39.12 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2302 HETATM 1855 O HOH A2164 10.457 -15.572 2.671 1.00 33.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2303 HETATM 1856 O HOH A2165 10.159 -10.251 -4.187 1.00 48.00 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2304 HETATM 1857 O HOH A2166 9.429 -7.796 -4.315 1.00 37.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2305 HETATM 1858 O HOH A2167 4.814 -2.958 -2.288 1.00 46.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2306 HETATM 1859 O HOH A2168 11.047 -2.826 -0.349 1.00 34.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2307 HETATM 1860 O HOH A2169 8.941 -3.737 -4.283 1.00 40.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2308 HETATM 1861 O HOH A2170 10.451 -7.658 -1.890 1.00 19.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2309 HETATM 1862 O HOH A2171 12.188 -5.430 -0.981 1.00 15.91 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2310 HETATM 1863 O HOH A2172 19.161 -1.397 15.886 1.00 23.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2311 HETATM 1864 O HOH A2173 26.999 -2.330 14.962 1.00 39.70 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2312 HETATM 1865 O HOH A2174 23.099 3.514 12.298 1.00 37.26 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2313 HETATM 1866 O HOH A2175 31.131 0.957 8.906 1.00 40.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2314 HETATM 1867 O HOH A2176 30.373 2.342 5.102 1.00 15.11 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2315 HETATM 1868 O HOH A2177 30.596 3.985 9.020 1.00 38.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2316 HETATM 1869 O HOH A2178 31.666 4.877 -13.133 1.00 41.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2317 HETATM 1870 O HOH A2179 30.494 6.983 -12.624 1.00 40.29 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2318 HETATM 1871 O HOH A2180 20.451 3.128 -11.055 1.00 22.03 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2319 HETATM 1872 O HOH A2181 29.108 5.672 -15.226 1.00 34.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2320 HETATM 1873 O HOH A2182 28.703 2.516 -12.265 1.00 17.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2321 HETATM 1874 O HOH A2183 23.535 1.628 -13.576 1.00 17.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2322 HETATM 1875 O HOH A2184 21.273 5.907 -17.738 1.00 50.87 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2323 HETATM 1876 O HOH A2185 21.984 3.072 -15.303 1.00 26.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2324 HETATM 1877 O HOH A2186 22.711 11.305 -10.623 1.00 34.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2325 HETATM 1878 O HOH A2187 20.971 11.101 -7.254 1.00 19.37 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2326 HETATM 1879 O HOH A2188 26.666 12.423 -10.187 1.00 37.43 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2327 HETATM 1880 O HOH A2189 24.958 5.597 -7.357 1.00 12.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2328 HETATM 1881 O HOH A2190 31.900 7.765 -6.287 1.00 25.46 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2329 HETATM 1882 O HOH A2191 32.348 3.335 -7.443 1.00 21.78 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2330 HETATM 1883 O HOH A2192 25.775 12.889 -6.393 1.00 29.40 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2331 HETATM 1884 O HOH A2193 25.495 14.528 -2.207 1.00 31.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2332 HETATM 1885 O HOH A2194 27.071 5.432 6.808 1.00 21.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2333 HETATM 1886 O HOH A2195 28.234 4.586 10.557 1.00 38.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2334 HETATM 1887 O HOH A2196 21.641 4.911 11.307 1.00 40.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2335 HETATM 1888 O HOH A2197 16.950 3.681 10.690 1.00 18.82 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2336 HETATM 1889 O HOH A2198 11.383 1.203 14.010 1.00 27.48 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2337 HETATM 1890 O HOH A2199 13.510 6.173 15.897 1.00 33.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2338 HETATM 1891 O HOH A2200 17.171 5.986 13.164 1.00 26.84 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2339 HETATM 1892 O HOH A2201 24.847 6.843 9.729 1.00 27.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2340 HETATM 1893 O HOH A2202 25.207 7.006 5.386 1.00 13.78 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2341 HETATM 1894 O HOH A2203 32.208 8.176 3.262 1.00 17.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2342 HETATM 1895 O HOH A2204 31.820 8.099 -3.943 1.00 32.49 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2343 HETATM 1896 O HOH A2205 38.053 8.694 3.624 1.00 24.83 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2344 HETATM 1897 O HOH A2206 36.650 10.979 3.803 1.00 41.97 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2345 HETATM 1898 O HOH A2207 32.772 -4.295 1.060 1.00 20.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2346 HETATM 1899 O HOH A2208 32.714 -7.054 -2.270 1.00 24.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2347 HETATM 1900 O HOH A2209 36.073 -7.326 -3.725 1.00 25.93 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2348 HETATM 1901 O HOH A2210 34.655 -1.987 1.654 1.00 17.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2349 HETATM 1902 O HOH A2211 38.523 -0.287 -4.324 1.00 20.07 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2350 HETATM 1903 O HOH A2212 35.289 -4.075 -5.505 1.00 40.56 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2351 HETATM 1904 O HOH A2213 33.693 5.876 -6.818 1.00 31.65 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2352 HETATM 1905 O HOH A2214 32.365 2.462 -11.884 1.00 26.27 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2353 HETATM 1906 O HOH A2215 34.595 -3.437 -8.655 1.00 46.95 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2354 HETATM 1907 O HOH A2216 25.837 -5.742 15.288 1.00 48.15 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2355 HETATM 1908 O HOH A2217 22.773 -8.138 19.038 1.00 35.22 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2356 HETATM 1909 O HOH A2218 25.248 -16.127 17.483 1.00 27.88 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2357 HETATM 1910 O HOH A2219 26.127 -7.988 17.249 1.00 36.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2358 HETATM 1911 O HOH A2220 27.294 -13.974 20.654 1.00 48.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2359 HETATM 1912 O HOH A2221 18.464 -11.345 18.841 1.00 40.89 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2360 HETATM 1913 O HOH A2222 20.977 -11.020 19.860 1.00 49.66 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2361 HETATM 1914 O HOH A2223 19.611 -18.444 17.688 1.00 58.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2362 HETATM 1915 O HOH A2224 23.269 -17.967 15.359 1.00 24.84 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2363 HETATM 1916 O HOH A2225 18.323 -17.877 13.008 1.00 26.68 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2364 HETATM 1917 O HOH A2226 17.437 -17.544 16.599 1.00 51.77 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2365 HETATM 1918 O HOH A2227 29.751 -17.749 13.287 1.00 34.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2366 HETATM 1919 O HOH A2228 19.338 -19.666 15.402 1.00 42.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2367 HETATM 1920 O HOH A2229 19.113 -22.387 13.068 1.00 39.64 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2368 HETATM 1921 O HOH A2230 32.993 -16.812 8.503 1.00 44.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2369 HETATM 1922 O HOH A2231 32.860 -18.513 6.403 1.00 46.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2370 HETATM 1923 O HOH A2232 36.492 -24.040 3.357 1.00 52.41 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2371 HETATM 1924 O HOH A2233 34.602 -21.972 6.289 1.00 39.49 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2372 HETATM 1925 O HOH A2234 32.888 -20.956 7.919 1.00 43.01 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2373 HETATM 1926 O HOH A2235 35.270 -24.422 1.034 1.00 49.99 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2374 HETATM 1927 O HOH A2236 31.033 -23.956 8.011 1.00 31.63 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2375 HETATM 1928 O HOH A2237 25.695 -27.043 3.447 1.00 40.30 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2376 HETATM 1929 O HOH A2238 19.988 -27.212 2.120 1.00 39.11 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2377 HETATM 1930 O HOH A2239 18.327 -26.462 -5.000 1.00 63.36 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2378 HETATM 1931 O HOH A2240 13.601 -21.438 5.691 1.00 74.16 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2379 HETATM 1932 O HOH A2241 16.123 -16.122 -3.584 1.00 22.16 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2380 HETATM 1933 O HOH A2242 18.009 -18.650 0.335 1.00 23.06 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2381 HETATM 1934 O HOH A2243 19.825 -21.212 -7.504 1.00 45.98 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2382 HETATM 1935 O HOH A2244 14.921 -16.420 -11.269 1.00 25.34 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2383 HETATM 1936 O HOH A2245 15.055 -20.293 -6.721 1.00 52.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2384 HETATM 1937 O HOH A2246 21.697 -19.022 -16.150 1.00 45.59 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2385 HETATM 1938 O HOH A2247 24.798 -18.394 -14.646 1.00 43.45 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2386 HETATM 1939 O HOH A2248 22.656 -19.813 -9.663 1.00 30.78 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2387 HETATM 1940 O HOH A2249 31.014 -17.921 -10.745 1.00 42.17 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2388 HETATM 1941 O HOH A2250 31.584 -13.848 -12.033 1.00 55.19 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2389 HETATM 1942 O HOH A2251 34.869 -14.722 3.970 1.00 25.72 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2390 HETATM 1943 O HOH A2252 35.003 -17.198 5.681 1.00 38.13 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2391 HETATM 1944 O HOH A2253 37.393 -12.101 4.512 1.00 52.80 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2392 HETATM 1945 O HOH A2254 39.159 -20.600 1.562 1.00 41.31 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2393 HETATM 1946 O HOH A2255 48.702 -20.387 8.539 1.00 30.44 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2394 HETATM 1947 O HOH A2256 45.978 -25.641 3.122 1.00 39.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2395 HETATM 1948 O HOH A2257 47.493 -26.980 4.869 1.00 60.05 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2396 HETATM 1949 O HOH A2258 20.380 -7.911 -1.824 1.00 15.88 O

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2397 CONECT 1666 1667 1673

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2398 CONECT 1667 1666 1668 1670

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2399 CONECT 1668 1667 1686

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2400 CONECT 1669 1670 1689

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2401 CONECT 1670 1667 1669 1671

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2402 CONECT 1671 1670 1672

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2403 CONECT 1672 1671 1673

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2404 CONECT 1673 1666 1672 1674

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2405 CONECT 1674 1673 1675 1678

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2406 CONECT 1675 1674 1676 1677

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2407 CONECT 1676 1675

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2408 CONECT 1677 1675 1679

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2409 CONECT 1678 1674 1679 1680

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2410 CONECT 1679 1677 1678

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2411 CONECT 1680 1678 1681 1690

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2412 CONECT 1681 1680 1682

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2413 CONECT 1682 1681 1683 1685

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2414 CONECT 1683 1682 1684

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2415 CONECT 1684 1683

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2416 CONECT 1685 1682 1687 1688

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2417 CONECT 1686 1668 1689

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2418 CONECT 1687 1685

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2419 CONECT 1688 1685 1690

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2420 CONECT 1689 1669 1686

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2421 CONECT 1690 1680 1688 1691

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2422 CONECT 1691 1690

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2423 MASTER 390 0 1 10 8 0 4 6 1948 1 26 17

2063e965531c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"

bgruening

parents:

diff changeset

2424 END

Mercurial > repos > bgruening > fpocket

annotate test-data/2brc.pdb @ 0:2063e965531c draft