opencontact: test-data/1AIK.pdb annotate

annotate test-data/1AIK.pdb @ 2:52d76e9da089 draft default tip

planemo upload commit 109d64627f6a93e5ae11a95daa6492190d71178a-dirty

author	jjohnson
date	Thu, 16 May 2019 12:04:35 -0400
parents	d163dd7e68b5
children

rev	line source
0 d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1 HEADER VIRAL PROTEIN 20-APR-97 1AIK
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	2 TITLE HIV GP41 CORE STRUCTURE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	3 COMPND MOL_ID: 1;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	4 COMPND 2 MOLECULE: HIV-1 GP41 GLYCOPROTEIN;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	5 COMPND 3 CHAIN: N;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	6 COMPND 4 FRAGMENT: PROTEASE-RESISTANT CORE;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	7 COMPND 5 ENGINEERED: YES;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	8 COMPND 6 OTHER_DETAILS: N36 AND C34 ARE SYNTHETIC PEPTIDES;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	9 COMPND 7 MOL_ID: 2;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	10 COMPND 8 MOLECULE: HIV-1 GP41 GLYCOPROTEIN;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	11 COMPND 9 CHAIN: C;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	12 COMPND 10 FRAGMENT: PROTEASE-RESISTANT CORE;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	13 COMPND 11 ENGINEERED: YES;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	14 COMPND 12 OTHER_DETAILS: N36 AND C34 ARE SYNTHETIC PEPTIDES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	15 SOURCE MOL_ID: 1;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	16 SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	17 SOURCE 3 ORGANISM_TAXID: 11706;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	18 SOURCE 4 STRAIN: HXB2;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	19 SOURCE 5 CELLULAR_LOCATION: VIRAL MEMBRANE;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	20 SOURCE 6 GENE: GP41;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	21 SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	22 SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	23 SOURCE 9 EXPRESSION_SYSTEM_GENE: GP41;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	24 SOURCE 10 MOL_ID: 2;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	25 SOURCE 11 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	26 SOURCE 12 ORGANISM_TAXID: 11706;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	27 SOURCE 13 STRAIN: HXB2;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	28 SOURCE 14 CELLULAR_LOCATION: VIRAL MEMBRANE;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	29 SOURCE 15 GENE: GP41;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	30 SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	31 SOURCE 17 EXPRESSION_SYSTEM_TAXID: 562;
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	32 SOURCE 18 EXPRESSION_SYSTEM_GENE: GP41
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	33 KEYWDS HIV, GP41, ENVELOPE GLYCOPROTEIN, RETROVIRUS, VIRAL PROTEIN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	34 EXPDTA X-RAY DIFFRACTION
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	35 AUTHOR D.C.CHAN,D.FASS,J.M.BERGER,P.S.KIM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	36 REVDAT 3 13-JUL-11 1AIK 1 VERSN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	37 REVDAT 2 24-FEB-09 1AIK 1 VERSN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	38 REVDAT 1 16-JUN-97 1AIK 0
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	39 JRNL AUTH D.C.CHAN,D.FASS,J.M.BERGER,P.S.KIM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	40 JRNL TITL CORE STRUCTURE OF GP41 FROM THE HIV ENVELOPE GLYCOPROTEIN.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	41 JRNL REF CELL(CAMBRIDGE,MASS.) V. 89 263 1997
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	42 JRNL REFN ISSN 0092-8674
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	43 JRNL PMID 9108481
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	44 JRNL DOI 10.1016/S0092-8674(00)80205-6
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	45 REMARK 2
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	46 REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	47 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	48 REMARK 3 REFINEMENT.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	49 REMARK 3 PROGRAM : X-PLOR 3.851
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	50 REMARK 3 AUTHORS : BRUNGER
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	51 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	52 REMARK 3 DATA USED IN REFINEMENT.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	53 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	54 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 12.00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	55 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	56 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000000.000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	57 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	58 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.5
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	59 REMARK 3 NUMBER OF REFLECTIONS : 5683
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	60 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	61 REMARK 3 FIT TO DATA USED IN REFINEMENT.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	62 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	63 REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	64 REMARK 3 R VALUE (WORKING SET) : 0.238
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	65 REMARK 3 FREE R VALUE : 0.266
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	66 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.120
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	67 REMARK 3 FREE R VALUE TEST SET COUNT : 371
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	68 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	69 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	70 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	71 REMARK 3 TOTAL NUMBER OF BINS USED : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	72 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	73 REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	74 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	75 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	76 REMARK 3 BIN R VALUE (WORKING SET) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	77 REMARK 3 BIN FREE R VALUE : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	78 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	79 REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	80 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	81 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	82 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	83 REMARK 3 PROTEIN ATOMS : 594
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	84 REMARK 3 NUCLEIC ACID ATOMS : 0
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	85 REMARK 3 HETEROGEN ATOMS : 0
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	86 REMARK 3 SOLVENT ATOMS : 43
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	87 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	88 REMARK 3 B VALUES.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	89 REMARK 3 FROM WILSON PLOT (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	91 REMARK 3 OVERALL ANISOTROPIC B VALUE.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	92 REMARK 3 B11 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	93 REMARK 3 B22 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	94 REMARK 3 B33 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	95 REMARK 3 B12 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	96 REMARK 3 B13 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	97 REMARK 3 B23 (A**2) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	98 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	99 REMARK 3 ESTIMATED COORDINATE ERROR.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	100 REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	101 REMARK 3 ESD FROM SIGMAA (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	102 REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	103 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	104 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	105 REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	106 REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	107 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	108 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	109 REMARK 3 BOND LENGTHS (A) : 0.014
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	110 REMARK 3 BOND ANGLES (DEGREES) : 2.74
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	111 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	112 REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	113 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	114 REMARK 3 ISOTROPIC THERMAL MODEL : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	115 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	116 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	117 REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	118 REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	119 REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	120 REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	121 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	122 REMARK 3 NCS MODEL : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	123 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	124 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	125 REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	126 REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	127 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	128 REMARK 3 PARAMETER FILE 1 : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	129 REMARK 3 TOPOLOGY FILE 1 : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	130 REMARK 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	131 REMARK 3 OTHER REFINEMENT REMARKS: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	132 REMARK 4
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	133 REMARK 4 1AIK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	134 REMARK 100
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	135 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	136 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	137 REMARK 200 EXPERIMENTAL DETAILS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	138 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	139 REMARK 200 DATE OF DATA COLLECTION : MAR-97
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	140 REMARK 200 TEMPERATURE (KELVIN) : 100
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	141 REMARK 200 PH : 6.0
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	142 REMARK 200 NUMBER OF CRYSTALS USED : 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	143 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	144 REMARK 200 SYNCHROTRON (Y/N) : N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	145 REMARK 200 RADIATION SOURCE : ROTATING ANODE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	146 REMARK 200 BEAMLINE : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	147 REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	148 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	149 REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	150 REMARK 200 MONOCHROMATOR : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	151 REMARK 200 OPTICS : MIRRORS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	152 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	153 REMARK 200 DETECTOR TYPE : IMAGE PLATE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	154 REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	155 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	156 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	157 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	158 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5287
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	159 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	160 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	161 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	162 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	163 REMARK 200 OVERALL.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	164 REMARK 200 COMPLETENESS FOR RANGE (%) : 96.5
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	165 REMARK 200 DATA REDUNDANCY : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	166 REMARK 200 R MERGE (I) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	167 REMARK 200 R SYM (I) : 0.05400
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	168 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.4000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	169 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	170 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	171 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	172 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	173 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.9
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	174 REMARK 200 DATA REDUNDANCY IN SHELL : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	175 REMARK 200 R MERGE FOR SHELL (I) : NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	176 REMARK 200 R SYM FOR SHELL (I) : 0.26300
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	177 REMARK 200 <I/SIGMA(I)> FOR SHELL : 5.400
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	178 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	179 REMARK 200 DIFFRACTION PROTOCOL: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	180 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	181 REMARK 200 SOFTWARE USED: X-PLOR 3.851
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	182 REMARK 200 STARTING MODEL: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	183 REMARK 200
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	184 REMARK 200 REMARK: DATA AT NSLS USED MAD METHODS. DATA COLLECTED ON AN OSMIUM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	185 REMARK 200 -SOAK CRYSTAL AT WAVELENGTHS 1.1398, 1.1396, 1.1344, AND 1.1406
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	186 REMARK 200 ANGSTROMS.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	187 REMARK 280
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	188 REMARK 280 CRYSTAL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	189 REMARK 280 SOLVENT CONTENT, VS (%): 46.00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	190 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	191 REMARK 280
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	192 REMARK 280 CRYSTALLIZATION CONDITIONS: A 10 MG/ML STOCK WAS DILUTED 1:1 IN A
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	193 REMARK 280 SITTING DROP WITH 80 MM NH4CL, 20% PEG200, AND 50% ISOPROPANOL,
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	194 REMARK 280 AND THEN ALLOWED TO EQUILIBRATE AGAINST 80 MM NH4CL, 20% PEG200,
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	195 REMARK 280 AND 30% ISOPROPANOL., PH 6.0, VAPOR DIFFUSION - SITTING DROP
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	196 REMARK 290
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	197 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	198 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3 2 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	199 REMARK 290
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	200 REMARK 290 SYMOP SYMMETRY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	201 REMARK 290 NNNMMM OPERATOR
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	202 REMARK 290 1555 X,Y,Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	203 REMARK 290 2555 -Y,X-Y,Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	204 REMARK 290 3555 -X+Y,-X,Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	205 REMARK 290 4555 Y,X,-Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	206 REMARK 290 5555 X-Y,-Y,-Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	207 REMARK 290 6555 -X,-X+Y,-Z
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	208 REMARK 290
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	209 REMARK 290 WHERE NNN -> OPERATOR NUMBER
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	210 REMARK 290 MMM -> TRANSLATION VECTOR
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	211 REMARK 290
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	212 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	213 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	214 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	215 REMARK 290 RELATED MOLECULES.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	216 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	217 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	218 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	219 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	220 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	221 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	222 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	223 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	224 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	225 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	226 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	227 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	228 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	229 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	230 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	231 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	232 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	233 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	234 REMARK 290
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	235 REMARK 290 REMARK: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	236 REMARK 300
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	237 REMARK 300 BIOMOLECULE: 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	238 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	239 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	240 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	241 REMARK 300 BURIED SURFACE AREA.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	242 REMARK 350
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	243 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	244 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	245 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	246 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	247 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	248 REMARK 350
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	249 REMARK 350 BIOMOLECULE: 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	250 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	251 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	252 REMARK 350 SOFTWARE USED: PISA,PQS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	253 REMARK 350 TOTAL BURIED SURFACE AREA: 12190 ANGSTROM**2
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	254 REMARK 350 SURFACE AREA OF THE COMPLEX: 10400 ANGSTROM**2
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	255 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	256 REMARK 350 APPLY THE FOLLOWING TO CHAINS: N, C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	257 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	258 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	259 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	260 REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 49.50000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	261 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	262 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	263 REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 24.75000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	264 REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 42.86826
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	265 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	266 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	267 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	268 REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	269 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	270 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	271 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	272 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	273 REMARK 500 H GLU C 630 H1 HOH C 8 1.41
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	274 REMARK 500 H SER N 546 H1 HOH N 29 1.50
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	275 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	276 REMARK 500 REMARK: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	277 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	278 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	279 REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	280 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	281 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	282 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	283 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	284 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	285 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	286 REMARK 500 STANDARD TABLE:
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	287 REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	288 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	289 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	290 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	291 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	292 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	293 REMARK 500 HIS N 564 NE2 HIS N 564 CD2 -0.082
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	294 REMARK 500 HIS C 643 NE2 HIS C 643 CD2 -0.085
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	295 REMARK 500 SER C 644 CB SER C 644 OG 0.083
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	296 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	297 REMARK 500 REMARK: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	298 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	299 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	300 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	301 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	302 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	303 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	304 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	305 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	306 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	307 REMARK 500 STANDARD TABLE:
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	308 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	309 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	310 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	311 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	312 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	313 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	314 REMARK 500 TRP N 571 CD1 - CG - CD2 ANGL. DEV. = 5.8 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	315 REMARK 500 TRP N 571 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	316 REMARK 500 TRP N 571 CG - CD2 - CE3 ANGL. DEV. = 6.0 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	317 REMARK 500 ARG N 579 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	318 REMARK 500 TRP C 628 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	319 REMARK 500 TRP C 628 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	320 REMARK 500 TRP C 631 CD1 - CG - CD2 ANGL. DEV. = 7.4 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	321 REMARK 500 TRP C 631 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	322 REMARK 500 TRP C 631 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	323 REMARK 500
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	324 REMARK 500 REMARK: NULL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	325 DBREF 1AIK N 546 581 UNP P04578 ENV_HV1H2 544 579
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	326 DBREF 1AIK C 628 661 UNP P04578 ENV_HV1H2 623 656
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	327 SEQRES 1 N 37 ACE SER GLY ILE VAL GLN GLN GLN ASN ASN LEU LEU ARG
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	328 SEQRES 2 N 37 ALA ILE GLU ALA GLN GLN HIS LEU LEU GLN LEU THR VAL
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	329 SEQRES 3 N 37 TRP GLY ILE LYS GLN LEU GLN ALA ARG ILE LEU
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	330 SEQRES 1 C 35 ACE TRP MET GLU TRP ASP ARG GLU ILE ASN ASN TYR THR
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	331 SEQRES 2 C 35 SER LEU ILE HIS SER LEU ILE GLU GLU SER GLN ASN GLN
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	332 SEQRES 3 C 35 GLN GLU LYS ASN GLU GLN GLU LEU LEU
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	333 HET ACE N 545 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	334 HET ACE C 627 3
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	335 HETNAM ACE ACETYL GROUP
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	336 FORMUL 1 ACE 2(C2 H4 O)
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	337 FORMUL 3 HOH *43(H2 O)
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	338 HELIX 1 1 GLY N 547 ALA N 578 1 32
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	339 HELIX 2 2 MET C 629 GLU C 659 1 31
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	340 LINK C ACE N 545 N SER N 546 1555 1555 1.33
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	341 LINK C ACE C 627 N TRP C 628 1555 1555 1.33
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	342 CRYST1 49.500 49.500 55.300 90.00 90.00 120.00 P 3 2 1 6
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	343 ORIGX1 1.000000 0.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	344 ORIGX2 0.000000 1.000000 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	345 ORIGX3 0.000000 0.000000 1.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	346 SCALE1 0.020202 0.011664 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	347 SCALE2 0.000000 0.023327 0.000000 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	348 SCALE3 0.000000 0.000000 0.018083 0.00000
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	349 HETATM 1 C ACE N 545 19.211 14.270 -17.472 1.00 56.26 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	350 HETATM 2 O ACE N 545 19.488 14.580 -16.305 1.00 56.37 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	351 HETATM 3 CH3 ACE N 545 20.273 14.045 -18.531 1.00 56.01 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	352 ATOM 4 N SER N 546 17.955 14.014 -17.827 1.00 56.49 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	353 ATOM 5 CA SER N 546 16.876 14.392 -16.942 1.00 56.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	354 ATOM 6 C SER N 546 16.909 13.631 -15.655 1.00 56.24 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	355 ATOM 7 O SER N 546 16.736 14.255 -14.615 1.00 57.67 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	356 ATOM 8 CB SER N 546 15.525 14.172 -17.546 1.00 56.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	357 ATOM 9 OG SER N 546 15.498 12.815 -17.842 1.00 57.84 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	358 ATOM 10 H SER N 546 17.816 13.501 -18.652 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	359 ATOM 11 HG SER N 546 15.988 12.455 -18.582 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	360 ATOM 12 N GLY N 547 17.181 12.316 -15.724 1.00 55.59 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	361 ATOM 13 CA GLY N 547 17.202 11.414 -14.570 1.00 53.04 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	362 ATOM 14 C GLY N 547 18.299 11.783 -13.596 1.00 51.70 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	363 ATOM 15 O GLY N 547 18.147 11.667 -12.391 1.00 50.76 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	364 ATOM 16 H GLY N 547 17.409 11.945 -16.618 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	365 ATOM 17 N ILE N 548 19.399 12.280 -14.145 1.00 51.57 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	366 ATOM 18 CA ILE N 548 20.551 12.815 -13.425 1.00 52.14 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	367 ATOM 19 C ILE N 548 20.218 14.116 -12.696 1.00 51.31 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	368 ATOM 20 O ILE N 548 20.543 14.273 -11.519 1.00 50.83 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	369 ATOM 21 CB ILE N 548 21.693 13.043 -14.436 1.00 54.22 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	370 ATOM 22 CG1 ILE N 548 22.120 11.712 -15.087 1.00 54.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	371 ATOM 23 CG2 ILE N 548 22.861 13.705 -13.721 1.00 55.25 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	372 ATOM 24 CD1 ILE N 548 23.126 11.909 -16.234 1.00 56.29 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	373 ATOM 25 H ILE N 548 19.445 12.272 -15.118 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	374 ATOM 26 N VAL N 549 19.590 15.054 -13.393 1.00 50.93 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	375 ATOM 27 CA VAL N 549 19.093 16.291 -12.786 1.00 50.79 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	376 ATOM 28 C VAL N 549 18.036 15.977 -11.726 1.00 50.36 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	377 ATOM 29 O VAL N 549 17.992 16.598 -10.674 1.00 51.60 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	378 ATOM 30 CB VAL N 549 18.451 17.196 -13.841 1.00 52.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	379 ATOM 31 CG1 VAL N 549 17.814 18.437 -13.226 1.00 54.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	380 ATOM 32 CG2 VAL N 549 19.539 17.650 -14.780 1.00 51.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	381 ATOM 33 H VAL N 549 19.486 14.911 -14.360 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	382 ATOM 34 N GLN N 550 17.187 15.030 -12.001 1.00 49.13 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	383 ATOM 35 CA GLN N 550 16.176 14.508 -11.109 1.00 49.23 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	384 ATOM 36 C GLN N 550 16.843 13.895 -9.861 1.00 48.50 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	385 ATOM 37 O GLN N 550 16.520 14.236 -8.736 1.00 47.94 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	386 ATOM 38 CB GLN N 550 15.452 13.398 -11.814 1.00 52.96 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	387 ATOM 39 CG GLN N 550 13.929 13.475 -11.925 1.00 60.75 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	388 ATOM 40 CD GLN N 550 13.343 13.742 -10.585 1.00 65.31 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	389 ATOM 41 OE1 GLN N 550 13.048 14.884 -10.294 1.00 71.73 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	390 ATOM 42 NE2 GLN N 550 13.111 12.750 -9.753 1.00 67.42 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	391 ATOM 43 H GLN N 550 17.256 14.628 -12.913 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	392 ATOM 44 HE21 GLN N 550 12.689 12.960 -8.892 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	393 ATOM 45 HE22 GLN N 550 13.298 11.810 -10.020 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	394 ATOM 46 N GLN N 551 17.847 13.009 -10.014 1.00 47.87 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	395 ATOM 47 CA GLN N 551 18.607 12.368 -8.940 1.00 47.02 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	396 ATOM 48 C GLN N 551 19.320 13.416 -8.092 1.00 45.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	397 ATOM 49 O GLN N 551 19.330 13.334 -6.868 1.00 46.09 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	398 ATOM 50 CB GLN N 551 19.605 11.378 -9.582 1.00 45.66 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	399 ATOM 51 CG GLN N 551 20.600 10.535 -8.719 1.00 41.50 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	400 ATOM 52 CD GLN N 551 19.994 9.589 -7.719 1.00 39.83 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	401 ATOM 53 OE1 GLN N 551 18.955 9.872 -7.134 1.00 42.03 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	402 ATOM 54 NE2 GLN N 551 20.573 8.430 -7.469 1.00 34.15 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	403 ATOM 55 H GLN N 551 18.103 12.786 -10.928 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	404 ATOM 56 HE21 GLN N 551 20.183 7.817 -6.808 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	405 ATOM 57 HE22 GLN N 551 21.382 8.205 -7.988 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	406 ATOM 58 N GLN N 552 19.874 14.445 -8.725 1.00 45.32 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	407 ATOM 59 CA GLN N 552 20.538 15.562 -8.041 1.00 44.72 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	408 ATOM 60 C GLN N 552 19.620 16.316 -7.096 1.00 43.57 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	409 ATOM 61 O GLN N 552 19.987 16.732 -6.006 1.00 41.76 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	410 ATOM 62 CB GLN N 552 21.115 16.542 -9.078 1.00 46.04 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	411 ATOM 63 CG GLN N 552 22.500 16.015 -9.433 1.00 50.92 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	412 ATOM 64 CD GLN N 552 23.257 16.787 -10.486 1.00 54.67 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	413 ATOM 65 OE1 GLN N 552 22.658 17.525 -11.260 1.00 59.31 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	414 ATOM 66 NE2 GLN N 552 24.575 16.670 -10.575 1.00 56.36 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	415 ATOM 67 H GLN N 552 19.818 14.442 -9.707 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	416 ATOM 68 HE21 GLN N 552 24.996 17.210 -11.277 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	417 ATOM 69 HE22 GLN N 552 25.079 16.087 -9.993 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	418 ATOM 70 N ASN N 553 18.383 16.452 -7.534 1.00 43.26 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	419 ATOM 71 CA ASN N 553 17.350 17.053 -6.728 1.00 43.57 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	420 ATOM 72 C ASN N 553 17.047 16.173 -5.554 1.00 42.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	421 ATOM 73 O ASN N 553 16.914 16.649 -4.433 1.00 43.18 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	422 ATOM 74 CB ASN N 553 16.050 17.238 -7.509 1.00 46.51 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	423 ATOM 75 CG ASN N 553 15.095 18.168 -6.802 1.00 51.48 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	424 ATOM 76 OD1 ASN N 553 15.256 18.608 -5.669 1.00 59.01 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	425 ATOM 77 ND2 ASN N 553 14.006 18.540 -7.412 1.00 57.62 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	426 ATOM 78 H ASN N 553 18.168 16.200 -8.470 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	427 ATOM 79 HD21 ASN N 553 13.333 19.036 -6.902 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	428 ATOM 80 HD22 ASN N 553 13.822 18.181 -8.313 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	429 ATOM 81 N ASN N 554 17.005 14.883 -5.807 1.00 42.25 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	430 ATOM 82 CA ASN N 554 16.731 13.930 -4.736 1.00 43.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	431 ATOM 83 C ASN N 554 17.876 13.908 -3.715 1.00 42.63 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	432 ATOM 84 O ASN N 554 17.628 13.893 -2.508 1.00 42.65 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	433 ATOM 85 CB ASN N 554 16.534 12.538 -5.331 1.00 44.49 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	434 ATOM 86 CG ASN N 554 15.340 12.520 -6.239 1.00 48.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	435 ATOM 87 OD1 ASN N 554 14.277 13.033 -5.925 1.00 51.91 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	436 ATOM 88 ND2 ASN N 554 15.485 12.022 -7.460 1.00 52.70 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	437 ATOM 89 H ASN N 554 17.137 14.573 -6.736 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	438 ATOM 90 HD21 ASN N 554 14.691 11.924 -8.059 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	439 ATOM 91 HD22 ASN N 554 16.321 11.585 -7.671 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	440 ATOM 92 N LEU N 555 19.125 14.034 -4.177 1.00 41.19 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	441 ATOM 93 CA LEU N 555 20.270 14.065 -3.310 1.00 39.88 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	442 ATOM 94 C LEU N 555 20.274 15.341 -2.498 1.00 40.16 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	443 ATOM 95 O LEU N 555 20.383 15.280 -1.272 1.00 40.42 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	444 ATOM 96 CB LEU N 555 21.556 13.984 -4.115 1.00 37.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	445 ATOM 97 CG LEU N 555 21.762 12.724 -4.945 1.00 38.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	446 ATOM 98 CD1 LEU N 555 23.106 12.783 -5.687 1.00 39.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	447 ATOM 99 CD2 LEU N 555 21.643 11.526 -4.019 1.00 36.44 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	448 ATOM 100 H LEU N 555 19.245 14.101 -5.145 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	449 ATOM 101 N LEU N 556 20.097 16.504 -3.139 1.00 39.83 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	450 ATOM 102 CA LEU N 556 20.056 17.800 -2.490 1.00 39.00 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	451 ATOM 103 C LEU N 556 18.997 17.825 -1.428 1.00 40.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	452 ATOM 104 O LEU N 556 19.251 18.290 -0.326 1.00 40.24 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	453 ATOM 105 CB LEU N 556 19.769 18.896 -3.504 1.00 37.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	454 ATOM 106 CG LEU N 556 19.826 20.327 -2.982 1.00 35.51 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	455 ATOM 107 CD1 LEU N 556 21.227 20.634 -2.595 1.00 38.30 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	456 ATOM 108 CD2 LEU N 556 19.383 21.304 -4.051 1.00 35.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	457 ATOM 109 H LEU N 556 20.042 16.470 -4.118 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	458 ATOM 110 N ARG N 557 17.823 17.292 -1.689 1.00 41.01 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	459 ATOM 111 CA ARG N 557 16.776 17.288 -0.685 1.00 42.31 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	460 ATOM 112 C ARG N 557 17.200 16.394 0.467 1.00 42.26 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	461 ATOM 113 O ARG N 557 17.012 16.740 1.622 1.00 42.69 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	462 ATOM 114 CB ARG N 557 15.457 16.809 -1.356 1.00 45.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	463 ATOM 115 CG ARG N 557 14.746 17.951 -2.111 1.00 50.30 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	464 ATOM 116 CD ARG N 557 13.344 17.553 -2.601 1.00 57.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	465 ATOM 117 NE ARG N 557 13.280 16.625 -3.751 1.00 64.22 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	466 ATOM 118 CZ ARG N 557 12.355 15.631 -3.918 1.00 63.91 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	467 ATOM 119 NH1 ARG N 557 11.397 15.396 -3.011 1.00 64.47 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	468 ATOM 120 NH2 ARG N 557 12.335 14.867 -5.036 1.00 59.98 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	469 ATOM 121 H ARG N 557 17.638 16.953 -2.607 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	470 ATOM 122 HE ARG N 557 13.950 16.746 -4.463 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	471 ATOM 123 HH11 ARG N 557 11.350 15.933 -2.167 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	472 ATOM 124 HH12 ARG N 557 10.752 14.634 -3.142 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	473 ATOM 125 HH21 ARG N 557 12.994 15.016 -5.779 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	474 ATOM 126 HH22 ARG N 557 11.659 14.126 -5.135 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	475 ATOM 127 N ALA N 558 17.915 15.313 0.192 1.00 41.57 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	476 ATOM 128 CA ALA N 558 18.387 14.409 1.226 1.00 41.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	477 ATOM 129 C ALA N 558 19.392 15.061 2.144 1.00 40.54 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	478 ATOM 130 O ALA N 558 19.295 14.930 3.360 1.00 39.05 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	479 ATOM 131 CB ALA N 558 19.030 13.199 0.587 1.00 41.90 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	480 ATOM 132 H ALA N 558 18.173 15.144 -0.746 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	481 ATOM 133 N ILE N 559 20.294 15.861 1.569 1.00 41.09 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	482 ATOM 134 CA ILE N 559 21.309 16.634 2.316 1.00 40.49 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	483 ATOM 135 C ILE N 559 20.614 17.708 3.169 1.00 41.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	484 ATOM 136 O ILE N 559 20.961 17.946 4.334 1.00 41.89 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	485 ATOM 137 CB ILE N 559 22.333 17.310 1.315 1.00 37.40 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	486 ATOM 138 CG1 ILE N 559 23.112 16.223 0.558 1.00 35.03 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	487 ATOM 139 CG2 ILE N 559 23.294 18.213 2.061 1.00 36.22 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	488 ATOM 140 CD1 ILE N 559 23.944 16.723 -0.634 1.00 29.22 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	489 ATOM 141 H ILE N 559 20.262 15.968 0.586 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	490 ATOM 142 N GLU N 560 19.595 18.377 2.634 1.00 41.05 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	491 ATOM 143 CA GLU N 560 18.927 19.411 3.378 1.00 41.53 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	492 ATOM 144 C GLU N 560 18.194 18.774 4.529 1.00 41.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	493 ATOM 145 O GLU N 560 18.199 19.290 5.659 1.00 42.58 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	494 ATOM 146 CB GLU N 560 17.950 20.139 2.504 1.00 42.94 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	495 ATOM 147 CG GLU N 560 18.559 20.916 1.342 1.00 49.98 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	496 ATOM 148 CD GLU N 560 17.569 21.635 0.403 1.00 56.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	497 ATOM 149 OE1 GLU N 560 16.353 21.580 0.624 1.00 58.21 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	498 ATOM 150 OE2 GLU N 560 18.018 22.257 -0.566 1.00 56.22 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	499 ATOM 151 H GLU N 560 19.338 18.191 1.696 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	500 ATOM 152 N ALA N 561 17.605 17.606 4.311 1.00 41.55 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	501 ATOM 153 CA ALA N 561 16.886 16.905 5.362 1.00 41.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	502 ATOM 154 C ALA N 561 17.880 16.505 6.441 1.00 42.70 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	503 ATOM 155 O ALA N 561 17.661 16.726 7.641 1.00 42.40 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	504 ATOM 156 CB ALA N 561 16.221 15.671 4.797 1.00 39.29 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	505 ATOM 157 H ALA N 561 17.617 17.230 3.403 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	506 ATOM 158 N GLN N 562 19.053 16.076 6.014 1.00 43.26 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	507 ATOM 159 CA GLN N 562 20.042 15.666 6.986 1.00 43.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	508 ATOM 160 C GLN N 562 20.607 16.819 7.771 1.00 43.53 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	509 ATOM 161 O GLN N 562 20.989 16.658 8.934 1.00 43.63 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	510 ATOM 162 CB GLN N 562 21.194 14.960 6.319 1.00 45.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	511 ATOM 163 CG GLN N 562 20.703 13.620 5.857 1.00 48.45 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	512 ATOM 164 CD GLN N 562 21.844 12.875 5.276 1.00 52.27 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	513 ATOM 165 OE1 GLN N 562 22.693 13.426 4.578 1.00 54.50 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	514 ATOM 166 NE2 GLN N 562 21.828 11.590 5.556 1.00 54.42 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	515 ATOM 167 H GLN N 562 19.263 16.023 5.043 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	516 ATOM 168 HE21 GLN N 562 22.558 11.067 5.175 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	517 ATOM 169 HE22 GLN N 562 21.094 11.248 6.104 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	518 ATOM 170 N GLN N 563 20.651 17.976 7.121 1.00 42.95 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	519 ATOM 171 CA GLN N 563 21.100 19.166 7.761 1.00 43.75 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	520 ATOM 172 C GLN N 563 20.156 19.484 8.886 1.00 44.90 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	521 ATOM 173 O GLN N 563 20.607 19.846 9.965 1.00 45.57 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	522 ATOM 174 CB GLN N 563 21.149 20.323 6.777 1.00 41.93 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	523 ATOM 175 CG GLN N 563 21.818 21.547 7.400 1.00 41.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	524 ATOM 176 CD GLN N 563 23.189 21.261 8.013 1.00 42.08 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	525 ATOM 177 OE1 GLN N 563 23.917 20.363 7.583 1.00 48.51 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	526 ATOM 178 NE2 GLN N 563 23.627 21.967 9.043 1.00 39.35 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	527 ATOM 179 H GLN N 563 20.474 17.971 6.162 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	528 ATOM 180 HE21 GLN N 563 24.526 21.732 9.369 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	529 ATOM 181 HE22 GLN N 563 23.085 22.653 9.451 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	530 ATOM 182 N HIS N 564 18.842 19.364 8.714 1.00 46.08 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	531 ATOM 183 CA HIS N 564 17.909 19.582 9.830 1.00 47.34 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	532 ATOM 184 C HIS N 564 18.133 18.647 10.985 1.00 46.35 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	533 ATOM 185 O HIS N 564 18.167 19.105 12.118 1.00 45.28 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	534 ATOM 186 CB HIS N 564 16.508 19.405 9.372 1.00 52.29 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	535 ATOM 187 CG HIS N 564 16.122 20.497 8.389 1.00 58.12 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	536 ATOM 188 ND1 HIS N 564 15.024 20.554 7.683 1.00 63.16 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	537 ATOM 189 CD2 HIS N 564 16.858 21.617 8.051 1.00 61.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	538 ATOM 190 CE1 HIS N 564 15.029 21.609 6.945 1.00 62.90 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	539 ATOM 191 NE2 HIS N 564 16.140 22.240 7.177 1.00 62.40 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	540 ATOM 192 H HIS N 564 18.535 19.251 7.783 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	541 ATOM 193 HD1 HIS N 564 14.318 19.929 7.750 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	542 ATOM 194 HE2 HIS N 564 16.408 23.027 6.657 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	543 ATOM 195 N LEU N 565 18.352 17.382 10.651 1.00 46.30 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	544 ATOM 196 CA LEU N 565 18.728 16.389 11.627 1.00 47.50 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	545 ATOM 197 C LEU N 565 20.023 16.771 12.360 1.00 47.96 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	546 ATOM 198 O LEU N 565 20.106 16.694 13.603 1.00 47.27 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	547 ATOM 199 CB LEU N 565 18.955 15.028 10.980 1.00 48.98 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	548 ATOM 200 CG LEU N 565 17.893 13.938 10.810 1.00 50.24 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	549 ATOM 201 CD1 LEU N 565 18.612 12.580 10.876 1.00 49.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	550 ATOM 202 CD2 LEU N 565 16.843 13.988 11.920 1.00 52.14 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	551 ATOM 203 H LEU N 565 18.325 17.139 9.702 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	552 ATOM 204 N LEU N 566 21.033 17.258 11.622 1.00 47.51 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	553 ATOM 205 CA LEU N 566 22.278 17.718 12.229 1.00 48.90 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	554 ATOM 206 C LEU N 566 22.041 18.835 13.232 1.00 48.39 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	555 ATOM 207 O LEU N 566 22.563 18.779 14.346 1.00 47.61 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	556 ATOM 208 CB LEU N 566 23.299 18.205 11.144 1.00 50.19 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	557 ATOM 209 CG LEU N 566 24.223 17.163 10.521 1.00 50.83 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	558 ATOM 210 CD1 LEU N 566 24.767 17.627 9.151 1.00 45.73 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	559 ATOM 211 CD2 LEU N 566 25.295 16.848 11.579 1.00 50.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	560 ATOM 212 H LEU N 566 20.921 17.339 10.656 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	561 ATOM 213 N GLN N 567 21.182 19.797 12.902 1.00 48.03 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	562 ATOM 214 CA GLN N 567 20.839 20.897 13.794 1.00 48.69 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	563 ATOM 215 C GLN N 567 20.124 20.425 15.041 1.00 48.44 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	564 ATOM 216 O GLN N 567 20.379 20.878 16.165 1.00 48.89 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	565 ATOM 217 CB GLN N 567 19.940 21.927 13.071 1.00 49.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	566 ATOM 218 CG GLN N 567 20.632 22.647 11.906 1.00 56.49 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	567 ATOM 219 CD GLN N 567 21.964 23.290 12.278 1.00 63.24 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	568 ATOM 220 OE1 GLN N 567 22.393 23.265 13.426 1.00 66.99 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	569 ATOM 221 NE2 GLN N 567 22.723 23.924 11.394 1.00 68.66 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	570 ATOM 222 H GLN N 567 20.769 19.768 12.006 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	571 ATOM 223 HE21 GLN N 567 23.539 24.303 11.833 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	572 ATOM 224 HE22 GLN N 567 22.514 24.033 10.471 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	573 ATOM 225 N LEU N 568 19.313 19.365 14.871 1.00 48.05 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	574 ATOM 226 CA LEU N 568 18.513 18.907 15.980 1.00 47.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	575 ATOM 227 C LEU N 568 19.410 18.201 16.958 1.00 47.65 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	576 ATOM 228 O LEU N 568 19.319 18.457 18.167 1.00 48.06 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	577 ATOM 229 CB LEU N 568 17.399 18.019 15.472 1.00 47.11 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	578 ATOM 230 CG LEU N 568 16.441 18.651 14.453 1.00 52.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	579 ATOM 231 CD1 LEU N 568 15.376 17.669 14.033 1.00 49.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	580 ATOM 232 CD2 LEU N 568 15.844 19.917 15.044 1.00 53.06 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	581 ATOM 233 H LEU N 568 19.352 18.869 14.024 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	582 ATOM 234 N THR N 569 20.343 17.385 16.474 1.00 47.68 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	583 ATOM 235 CA THR N 569 21.300 16.706 17.345 1.00 46.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	584 ATOM 236 C THR N 569 22.179 17.733 18.051 1.00 46.78 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	585 ATOM 237 O THR N 569 22.428 17.562 19.238 1.00 46.53 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	586 ATOM 238 CB THR N 569 22.196 15.706 16.513 1.00 48.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	587 ATOM 239 OG1 THR N 569 22.896 16.453 15.512 1.00 50.39 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	588 ATOM 240 CG2 THR N 569 21.367 14.574 15.887 1.00 45.02 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	589 ATOM 241 H THR N 569 20.365 17.208 15.510 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	590 ATOM 242 HG1 THR N 569 22.309 16.916 14.917 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	591 ATOM 243 N VAL N 570 22.568 18.851 17.411 1.00 46.51 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	592 ATOM 244 CA VAL N 570 23.388 19.879 18.056 1.00 46.07 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	593 ATOM 245 C VAL N 570 22.584 20.543 19.173 1.00 46.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	594 ATOM 246 O VAL N 570 23.109 20.791 20.268 1.00 46.19 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	595 ATOM 247 CB VAL N 570 23.824 20.975 17.067 1.00 46.87 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	596 ATOM 248 CG1 VAL N 570 24.628 22.078 17.767 1.00 43.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	597 ATOM 249 CG2 VAL N 570 24.698 20.324 16.003 1.00 47.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	598 ATOM 250 H VAL N 570 22.267 19.018 16.480 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	599 ATOM 251 N TRP N 571 21.311 20.824 18.901 1.00 44.96 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	600 ATOM 252 CA TRP N 571 20.448 21.354 19.916 1.00 45.54 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	601 ATOM 253 C TRP N 571 20.408 20.357 21.079 1.00 45.70 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	602 ATOM 254 O TRP N 571 20.466 20.796 22.237 1.00 46.48 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	603 ATOM 255 CB TRP N 571 19.025 21.547 19.422 1.00 45.68 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	604 ATOM 256 CG TRP N 571 18.046 21.979 20.538 1.00 47.31 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	605 ATOM 257 CD1 TRP N 571 17.853 23.309 20.778 1.00 47.86 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	606 ATOM 258 CD2 TRP N 571 17.291 21.171 21.401 1.00 48.92 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	607 ATOM 259 NE1 TRP N 571 16.991 23.361 21.767 1.00 47.92 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	608 ATOM 260 CE2 TRP N 571 16.630 22.132 22.175 1.00 47.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	609 ATOM 261 CE3 TRP N 571 17.056 19.805 21.674 1.00 48.37 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	610 ATOM 262 CZ2 TRP N 571 15.742 21.753 23.189 1.00 46.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	611 ATOM 263 CZ3 TRP N 571 16.181 19.419 22.697 1.00 46.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	612 ATOM 264 CH2 TRP N 571 15.524 20.395 23.451 1.00 47.44 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	613 ATOM 265 H TRP N 571 20.993 20.625 17.998 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	614 ATOM 266 HE1 TRP N 571 16.632 24.201 22.162 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	615 ATOM 267 N GLY N 572 20.356 19.036 20.842 1.00 45.29 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	616 ATOM 268 CA GLY N 572 20.270 18.034 21.892 1.00 44.49 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	617 ATOM 269 C GLY N 572 21.532 18.044 22.719 1.00 44.03 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	618 ATOM 270 O GLY N 572 21.491 18.102 23.948 1.00 43.66 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	619 ATOM 271 H GLY N 572 20.483 18.736 19.917 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	620 ATOM 272 N ILE N 573 22.671 18.122 22.031 1.00 44.11 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	621 ATOM 273 CA ILE N 573 23.986 18.156 22.666 1.00 44.64 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	622 ATOM 274 C ILE N 573 24.148 19.402 23.527 1.00 45.83 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	623 ATOM 275 O ILE N 573 24.571 19.300 24.666 1.00 46.58 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	624 ATOM 276 CB ILE N 573 25.125 18.159 21.622 1.00 44.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	625 ATOM 277 CG1 ILE N 573 25.094 16.885 20.810 1.00 43.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	626 ATOM 278 CG2 ILE N 573 26.482 18.303 22.325 1.00 44.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	627 ATOM 279 CD1 ILE N 573 26.010 16.983 19.585 1.00 44.87 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	628 ATOM 280 H ILE N 573 22.603 18.229 21.056 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	629 ATOM 281 N LYS N 574 23.840 20.594 23.044 1.00 46.57 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	630 ATOM 282 CA LYS N 574 24.001 21.819 23.817 1.00 47.39 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	631 ATOM 283 C LYS N 574 23.075 21.810 25.027 1.00 47.64 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	632 ATOM 284 O LYS N 574 23.456 22.221 26.103 1.00 47.42 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	633 ATOM 285 CB LYS N 574 23.679 23.041 22.944 1.00 47.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	634 ATOM 286 CG LYS N 574 24.626 23.233 21.776 1.00 47.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	635 ATOM 287 CD LYS N 574 24.343 24.597 21.117 1.00 49.66 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	636 ATOM 288 CE LYS N 574 25.235 24.786 19.879 1.00 57.06 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	637 ATOM 289 NZ LYS N 574 25.047 26.026 19.167 1.00 51.95 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	638 ATOM 290 H LYS N 574 23.447 20.634 22.137 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	639 ATOM 291 HZ1 LYS N 574 24.056 26.097 18.850 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	640 ATOM 292 HZ2 LYS N 574 25.302 26.787 19.816 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	641 ATOM 293 HZ3 LYS N 574 25.671 26.035 18.326 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	642 ATOM 294 N GLN N 575 21.863 21.301 24.898 1.00 47.76 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	643 ATOM 295 CA GLN N 575 20.947 21.160 26.010 1.00 49.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	644 ATOM 296 C GLN N 575 21.523 20.277 27.101 1.00 50.70 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	645 ATOM 297 O GLN N 575 21.530 20.599 28.288 1.00 50.85 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	646 ATOM 298 CB GLN N 575 19.690 20.480 25.617 1.00 51.27 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	647 ATOM 299 CG GLN N 575 18.703 21.312 24.814 1.00 53.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	648 ATOM 300 CD GLN N 575 18.143 22.472 25.591 1.00 56.45 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	649 ATOM 301 OE1 GLN N 575 17.537 22.387 26.656 1.00 59.04 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	650 ATOM 302 NE2 GLN N 575 18.305 23.636 25.024 1.00 57.29 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	651 ATOM 303 H GLN N 575 21.606 20.942 24.016 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	652 ATOM 304 HE21 GLN N 575 17.915 24.394 25.512 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	653 ATOM 305 HE22 GLN N 575 18.755 23.713 24.154 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	654 ATOM 306 N LEU N 576 22.054 19.126 26.704 1.00 52.27 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	655 ATOM 307 CA LEU N 576 22.609 18.227 27.703 1.00 54.14 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	656 ATOM 308 C LEU N 576 23.887 18.797 28.277 1.00 55.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	657 ATOM 309 O LEU N 576 24.135 18.667 29.472 1.00 55.72 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	658 ATOM 310 CB LEU N 576 22.892 16.841 27.117 1.00 51.84 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	659 ATOM 311 CG LEU N 576 21.688 16.085 26.553 1.00 52.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	660 ATOM 312 CD1 LEU N 576 22.138 14.746 26.001 1.00 50.01 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	661 ATOM 313 CD2 LEU N 576 20.643 15.931 27.638 1.00 51.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	662 ATOM 314 H LEU N 576 22.073 18.904 25.743 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	663 ATOM 315 N GLN N 577 24.692 19.489 27.474 1.00 57.40 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	664 ATOM 316 CA GLN N 577 25.921 20.110 27.929 1.00 59.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	665 ATOM 317 C GLN N 577 25.672 21.245 28.915 1.00 62.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	666 ATOM 318 O GLN N 577 26.453 21.404 29.852 1.00 62.30 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	667 ATOM 319 CB GLN N 577 26.708 20.620 26.730 1.00 57.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	668 ATOM 320 CG GLN N 577 28.060 21.087 27.186 1.00 58.22 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	669 ATOM 321 CD GLN N 577 28.180 22.600 27.330 1.00 60.01 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	670 ATOM 322 OE1 GLN N 577 27.202 23.340 27.358 1.00 60.52 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	671 ATOM 323 NE2 GLN N 577 29.385 23.134 27.363 1.00 61.54 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	672 ATOM 324 H GLN N 577 24.455 19.535 26.530 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	673 ATOM 325 HE21 GLN N 577 29.399 24.107 27.430 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	674 ATOM 326 HE22 GLN N 577 30.164 22.554 27.335 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	675 ATOM 327 N ALA N 578 24.584 21.997 28.775 1.00 65.04 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	676 ATOM 328 CA ALA N 578 24.312 23.121 29.647 1.00 67.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	677 ATOM 329 C ALA N 578 24.101 22.643 31.062 1.00 69.93 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	678 ATOM 330 O ALA N 578 24.379 23.346 32.025 1.00 70.22 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	679 ATOM 331 CB ALA N 578 23.056 23.840 29.207 1.00 66.26 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	680 ATOM 332 H ALA N 578 23.987 21.810 28.016 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	681 ATOM 333 N ARG N 579 23.604 21.407 31.195 1.00 72.80 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	682 ATOM 334 CA ARG N 579 23.277 20.834 32.491 1.00 76.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	683 ATOM 335 C ARG N 579 24.297 19.924 33.116 1.00 77.71 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	684 ATOM 336 O ARG N 579 24.155 19.391 34.212 1.00 78.20 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	685 ATOM 337 CB ARG N 579 21.939 20.093 32.368 1.00 77.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	686 ATOM 338 CG ARG N 579 20.802 20.968 31.853 1.00 80.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	687 ATOM 339 CD ARG N 579 19.487 20.222 31.726 1.00 84.49 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	688 ATOM 340 NE ARG N 579 18.438 21.069 31.147 1.00 88.84 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	689 ATOM 341 CZ ARG N 579 17.385 20.587 30.457 1.00 91.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	690 ATOM 342 NH1 ARG N 579 17.230 19.303 30.253 1.00 94.12 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	691 ATOM 343 NH2 ARG N 579 16.430 21.352 29.931 1.00 90.71 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	692 ATOM 344 H ARG N 579 23.402 20.913 30.376 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	693 ATOM 345 HE ARG N 579 18.509 22.039 31.265 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	694 ATOM 346 HH11 ARG N 579 17.879 18.631 30.623 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	695 ATOM 347 HH12 ARG N 579 16.423 18.975 29.754 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	696 ATOM 348 HH21 ARG N 579 16.473 22.346 30.014 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	697 ATOM 349 HH22 ARG N 579 15.675 20.923 29.427 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	698 ATOM 350 N ILE N 580 25.362 19.713 32.371 1.00 79.12 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	699 ATOM 351 CA ILE N 580 26.445 18.772 32.675 1.00 81.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	700 ATOM 352 C ILE N 580 27.660 19.565 32.303 1.00 82.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	701 ATOM 353 O ILE N 580 28.531 19.018 31.659 1.00 83.59 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	702 ATOM 354 CB ILE N 580 26.246 17.503 31.784 1.00 80.80 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	703 ATOM 355 CG1 ILE N 580 25.193 16.697 32.429 1.00 84.04 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	704 ATOM 356 CG2 ILE N 580 27.451 16.589 31.650 1.00 78.88 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	705 ATOM 357 CD1 ILE N 580 24.516 16.191 31.215 1.00 86.00 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	706 ATOM 358 H ILE N 580 25.445 20.241 31.548 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	707 ATOM 359 N LEU N 581 27.698 20.865 32.557 1.00 83.28 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	708 ATOM 360 CA LEU N 581 28.887 21.706 32.347 1.00 83.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	709 ATOM 361 C LEU N 581 28.597 23.173 32.668 1.00 84.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	710 ATOM 362 O LEU N 581 27.778 23.359 33.577 1.00 88.48 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	711 ATOM 363 CB LEU N 581 29.461 21.581 30.920 1.00 82.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	712 ATOM 364 CG LEU N 581 30.924 21.079 30.935 1.00 80.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	713 ATOM 365 CD1 LEU N 581 31.242 20.050 32.038 1.00 78.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	714 ATOM 366 CD2 LEU N 581 31.148 20.566 29.548 1.00 80.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	715 ATOM 367 H LEU N 581 26.907 21.292 32.938 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	716 TER 368 LEU N 581
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	717 HETATM 369 C ACE C 627 11.678 19.563 23.916 1.00 59.46 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	718 HETATM 370 O ACE C 627 11.509 19.280 22.723 1.00 59.59 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	719 HETATM 371 CH3 ACE C 627 11.401 20.961 24.478 1.00 59.14 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	720 ATOM 372 N TRP C 628 11.939 18.567 24.754 1.00 59.45 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	721 ATOM 373 CA TRP C 628 12.345 17.262 24.249 1.00 58.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	722 ATOM 374 C TRP C 628 11.305 16.438 23.468 1.00 59.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	723 ATOM 375 O TRP C 628 11.646 15.639 22.589 1.00 59.31 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	724 ATOM 376 CB TRP C 628 12.905 16.491 25.449 1.00 56.27 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	725 ATOM 377 CG TRP C 628 14.324 16.987 25.710 1.00 52.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	726 ATOM 378 CD1 TRP C 628 14.560 17.945 26.654 1.00 52.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	727 ATOM 379 CD2 TRP C 628 15.466 16.576 25.059 1.00 52.52 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	728 ATOM 380 NE1 TRP C 628 15.852 18.149 26.605 1.00 53.20 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	729 ATOM 381 CE2 TRP C 628 16.442 17.360 25.680 1.00 53.25 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	730 ATOM 382 CE3 TRP C 628 15.833 15.676 24.060 1.00 49.19 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	731 ATOM 383 CZ2 TRP C 628 17.793 17.256 25.297 1.00 50.70 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	732 ATOM 384 CZ3 TRP C 628 17.180 15.570 23.699 1.00 49.98 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	733 ATOM 385 CH2 TRP C 628 18.158 16.350 24.304 1.00 47.48 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	734 ATOM 386 H TRP C 628 11.881 18.708 25.724 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	735 ATOM 387 HE1 TRP C 628 16.338 18.759 27.208 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	736 ATOM 388 N MET C 629 9.992 16.635 23.651 1.00 59.74 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	737 ATOM 389 CA MET C 629 9.041 15.870 22.852 1.00 60.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	738 ATOM 390 C MET C 629 8.978 16.434 21.441 1.00 59.92 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	739 ATOM 391 O MET C 629 8.878 15.698 20.450 1.00 59.94 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	740 ATOM 392 CB MET C 629 7.644 15.848 23.489 1.00 63.71 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	741 ATOM 393 CG MET C 629 7.364 16.823 24.657 1.00 68.98 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	742 ATOM 394 SD MET C 629 6.220 16.291 25.948 1.00 72.59 S
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	743 ATOM 395 CE MET C 629 4.843 16.119 24.844 1.00 72.83 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	744 ATOM 396 H MET C 629 9.728 17.227 24.356 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	745 ATOM 397 N GLU C 630 9.151 17.749 21.302 1.00 59.19 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	746 ATOM 398 CA GLU C 630 9.179 18.350 19.990 1.00 59.94 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	747 ATOM 399 C GLU C 630 10.391 17.903 19.195 1.00 59.73 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	748 ATOM 400 O GLU C 630 10.317 17.666 17.988 1.00 58.71 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	749 ATOM 401 CB GLU C 630 9.192 19.876 20.063 1.00 62.30 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	750 ATOM 402 CG GLU C 630 9.263 20.558 18.693 1.00 66.55 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	751 ATOM 403 CD GLU C 630 8.214 20.271 17.616 1.00 69.57 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	752 ATOM 404 OE1 GLU C 630 7.325 19.430 17.788 1.00 71.12 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	753 ATOM 405 OE2 GLU C 630 8.304 20.921 16.577 1.00 71.20 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	754 ATOM 406 H GLU C 630 9.289 18.287 22.086 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	755 ATOM 407 N TRP C 631 11.517 17.795 19.893 1.00 60.09 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	756 ATOM 408 CA TRP C 631 12.758 17.353 19.309 1.00 60.33 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	757 ATOM 409 C TRP C 631 12.541 15.931 18.819 1.00 61.17 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	758 ATOM 410 O TRP C 631 12.869 15.598 17.708 1.00 61.33 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	759 ATOM 411 CB TRP C 631 13.836 17.478 20.395 1.00 56.29 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	760 ATOM 412 CG TRP C 631 15.206 16.925 19.960 1.00 54.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	761 ATOM 413 CD1 TRP C 631 16.103 17.708 19.291 1.00 54.11 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	762 ATOM 414 CD2 TRP C 631 15.644 15.637 20.169 1.00 50.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	763 ATOM 415 NE1 TRP C 631 17.137 16.928 19.120 1.00 53.39 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	764 ATOM 416 CE2 TRP C 631 16.924 15.687 19.621 1.00 50.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	765 ATOM 417 CE3 TRP C 631 15.169 14.490 20.782 1.00 44.66 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	766 ATOM 418 CZ2 TRP C 631 17.755 14.558 19.662 1.00 48.32 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	767 ATOM 419 CZ3 TRP C 631 15.995 13.360 20.809 1.00 45.04 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	768 ATOM 420 CH2 TRP C 631 17.274 13.377 20.242 1.00 45.24 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	769 ATOM 421 H TRP C 631 11.515 18.006 20.858 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	770 ATOM 422 HE1 TRP C 631 17.965 17.239 18.688 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	771 ATOM 423 N ASP C 632 11.873 15.089 19.562 1.00 62.54 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	772 ATOM 424 CA ASP C 632 11.600 13.733 19.160 1.00 64.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	773 ATOM 425 C ASP C 632 10.784 13.653 17.877 1.00 65.43 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	774 ATOM 426 O ASP C 632 11.049 12.839 16.989 1.00 65.87 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	775 ATOM 427 CB ASP C 632 10.801 13.059 20.184 1.00 66.75 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	776 ATOM 428 CG ASP C 632 11.553 11.867 20.759 1.00 70.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	777 ATOM 429 OD1 ASP C 632 11.763 10.875 20.036 1.00 73.19 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	778 ATOM 430 OD2 ASP C 632 11.864 12.009 21.934 1.00 73.17 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	779 ATOM 431 H ASP C 632 11.482 15.413 20.422 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	780 ATOM 432 N ARG C 633 9.741 14.481 17.788 1.00 65.95 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	781 ATOM 433 CA ARG C 633 8.846 14.452 16.645 1.00 66.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	782 ATOM 434 C ARG C 633 9.628 15.030 15.464 1.00 64.57 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	783 ATOM 435 O ARG C 633 9.583 14.449 14.377 1.00 64.74 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	784 ATOM 436 CB ARG C 633 7.586 15.329 16.804 1.00 70.93 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	785 ATOM 437 CG ARG C 633 6.473 15.063 17.832 1.00 77.51 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	786 ATOM 438 CD ARG C 633 5.742 16.383 18.096 1.00 83.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	787 ATOM 439 NE ARG C 633 5.101 16.320 19.404 1.00 90.92 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	788 ATOM 440 CZ ARG C 633 3.946 16.916 19.715 1.00 96.53 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	789 ATOM 441 NH1 ARG C 633 3.295 17.634 18.820 1.00 99.82 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	790 ATOM 442 NH2 ARG C 633 3.344 16.753 20.891 1.00 99.12 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	791 ATOM 443 H ARG C 633 9.604 15.123 18.523 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	792 ATOM 444 HE ARG C 633 5.536 15.785 20.096 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	793 ATOM 445 HH11 ARG C 633 3.715 17.801 17.918 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	794 ATOM 446 HH12 ARG C 633 2.486 18.174 19.079 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	795 ATOM 447 HH21 ARG C 633 3.713 16.130 21.573 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	796 ATOM 448 HH22 ARG C 633 2.491 17.256 21.077 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	797 ATOM 449 N GLU C 634 10.397 16.100 15.645 1.00 62.76 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	798 ATOM 450 CA GLU C 634 11.159 16.676 14.569 1.00 61.33 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	799 ATOM 451 C GLU C 634 12.229 15.727 14.081 1.00 60.46 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	800 ATOM 452 O GLU C 634 12.486 15.655 12.877 1.00 61.42 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	801 ATOM 453 CB GLU C 634 11.823 17.935 14.998 1.00 61.32 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	802 ATOM 454 CG GLU C 634 10.784 19.053 14.903 1.00 68.08 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	803 ATOM 455 CD GLU C 634 11.401 20.433 14.751 1.00 74.96 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	804 ATOM 456 OE1 GLU C 634 12.353 20.598 13.977 1.00 76.47 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	805 ATOM 457 OE2 GLU C 634 10.902 21.363 15.384 1.00 77.59 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	806 ATOM 458 H GLU C 634 10.437 16.483 16.554 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	807 ATOM 459 N ILE C 635 12.783 14.913 14.993 1.00 59.27 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	808 ATOM 460 CA ILE C 635 13.782 13.906 14.663 1.00 56.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	809 ATOM 461 C ILE C 635 13.110 12.816 13.854 1.00 57.26 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	810 ATOM 462 O ILE C 635 13.714 12.292 12.927 1.00 56.53 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	811 ATOM 463 CB ILE C 635 14.429 13.299 15.953 1.00 52.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	812 ATOM 464 CG1 ILE C 635 15.236 14.321 16.698 1.00 47.91 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	813 ATOM 465 CG2 ILE C 635 15.388 12.182 15.569 1.00 52.10 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	814 ATOM 466 CD1 ILE C 635 16.358 14.961 15.927 1.00 50.08 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	815 ATOM 467 H ILE C 635 12.540 15.067 15.936 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	816 ATOM 468 N ASN C 636 11.854 12.452 14.086 1.00 58.11 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	817 ATOM 469 CA ASN C 636 11.273 11.345 13.347 1.00 58.91 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	818 ATOM 470 C ASN C 636 10.775 11.849 12.030 1.00 59.34 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	819 ATOM 471 O ASN C 636 10.926 11.176 11.020 1.00 59.71 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	820 ATOM 472 CB ASN C 636 10.132 10.719 14.134 1.00 59.74 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	821 ATOM 473 CG ASN C 636 10.632 10.044 15.400 1.00 61.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	822 ATOM 474 OD1 ASN C 636 11.698 9.427 15.428 1.00 65.00 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	823 ATOM 475 ND2 ASN C 636 9.938 10.198 16.516 1.00 60.78 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	824 ATOM 476 H ASN C 636 11.345 12.892 14.807 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	825 ATOM 477 HD21 ASN C 636 10.323 9.834 17.341 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	826 ATOM 478 HD22 ASN C 636 9.118 10.706 16.495 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	827 ATOM 479 N ASN C 637 10.278 13.076 12.015 1.00 59.84 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	828 ATOM 480 CA ASN C 637 9.779 13.751 10.816 1.00 61.12 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	829 ATOM 481 C ASN C 637 10.834 13.839 9.723 1.00 61.25 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	830 ATOM 482 O ASN C 637 10.585 13.594 8.538 1.00 61.53 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	831 ATOM 483 CB ASN C 637 9.383 15.219 11.029 1.00 64.01 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	832 ATOM 484 CG ASN C 637 8.112 15.513 11.887 1.00 67.80 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	833 ATOM 485 OD1 ASN C 637 7.302 14.605 12.111 1.00 68.43 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	834 ATOM 486 ND2 ASN C 637 7.948 16.748 12.355 1.00 68.62 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	835 ATOM 487 H ASN C 637 10.230 13.550 12.877 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	836 ATOM 488 HD21 ASN C 637 7.144 16.914 12.846 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	837 ATOM 489 HD22 ASN C 637 8.650 17.412 12.187 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	838 ATOM 490 N TYR C 638 12.033 14.300 10.102 1.00 60.30 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	839 ATOM 491 CA TYR C 638 13.127 14.392 9.169 1.00 58.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	840 ATOM 492 C TYR C 638 13.679 13.029 8.854 1.00 58.12 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	841 ATOM 493 O TYR C 638 14.008 12.788 7.698 1.00 58.25 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	842 ATOM 494 CB TYR C 638 14.165 15.327 9.774 1.00 58.34 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	843 ATOM 495 CG TYR C 638 13.667 16.749 9.673 1.00 58.76 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	844 ATOM 496 CD1 TYR C 638 13.303 17.225 8.418 1.00 59.13 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	845 ATOM 497 CD2 TYR C 638 13.521 17.567 10.800 1.00 59.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	846 ATOM 498 CE1 TYR C 638 12.850 18.517 8.256 1.00 58.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	847 ATOM 499 CE2 TYR C 638 13.091 18.900 10.637 1.00 60.72 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	848 ATOM 500 CZ TYR C 638 12.738 19.343 9.354 1.00 59.43 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	849 ATOM 501 OH TYR C 638 12.451 20.666 9.088 1.00 58.81 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	850 ATOM 502 H TYR C 638 12.162 14.682 11.009 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	851 ATOM 503 HH TYR C 638 12.351 20.876 8.165 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	852 ATOM 504 N THR C 639 13.706 12.108 9.796 1.00 57.10 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	853 ATOM 505 CA THR C 639 14.134 10.771 9.461 1.00 57.84 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	854 ATOM 506 C THR C 639 13.232 10.085 8.424 1.00 58.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	855 ATOM 507 O THR C 639 13.725 9.331 7.554 1.00 58.69 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	856 ATOM 508 CB THR C 639 14.163 9.904 10.683 1.00 57.69 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	857 ATOM 509 OG1 THR C 639 15.110 10.474 11.544 1.00 60.10 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	858 ATOM 510 CG2 THR C 639 14.597 8.478 10.387 1.00 55.45 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	859 ATOM 511 H THR C 639 13.402 12.348 10.690 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	860 ATOM 512 HG1 THR C 639 14.818 11.323 11.889 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	861 ATOM 513 N SER C 640 11.916 10.315 8.505 1.00 59.42 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	862 ATOM 514 CA SER C 640 10.997 9.745 7.531 1.00 60.07 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	863 ATOM 515 C SER C 640 11.177 10.391 6.160 1.00 58.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	864 ATOM 516 O SER C 640 11.169 9.642 5.177 1.00 60.33 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	865 ATOM 517 CB SER C 640 9.549 9.934 7.966 1.00 62.43 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	866 ATOM 518 OG SER C 640 9.343 9.238 9.188 1.00 69.53 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	867 ATOM 519 H SER C 640 11.544 10.854 9.240 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	868 ATOM 520 HG SER C 640 9.444 8.298 9.074 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	869 ATOM 521 N LEU C 641 11.375 11.710 6.057 1.00 56.88 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	870 ATOM 522 CA LEU C 641 11.619 12.351 4.785 1.00 55.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	871 ATOM 523 C LEU C 641 12.948 11.832 4.190 1.00 56.33 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	872 ATOM 524 O LEU C 641 13.039 11.552 2.988 1.00 55.67 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	873 ATOM 525 CB LEU C 641 11.658 13.879 5.006 1.00 53.81 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	874 ATOM 526 CG LEU C 641 11.718 14.767 3.765 1.00 52.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	875 ATOM 527 CD1 LEU C 641 10.375 14.703 3.035 1.00 52.33 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	876 ATOM 528 CD2 LEU C 641 12.047 16.198 4.163 1.00 50.59 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	877 ATOM 529 H LEU C 641 11.357 12.252 6.875 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	878 ATOM 530 N ILE C 642 13.988 11.612 5.019 1.00 55.99 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	879 ATOM 531 CA ILE C 642 15.290 11.153 4.549 1.00 55.40 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	880 ATOM 532 C ILE C 642 15.163 9.729 4.112 1.00 55.08 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	881 ATOM 533 O ILE C 642 15.740 9.343 3.115 1.00 55.36 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	882 ATOM 534 CB ILE C 642 16.384 11.240 5.647 1.00 54.86 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	883 ATOM 535 CG1 ILE C 642 16.630 12.661 6.041 1.00 53.06 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	884 ATOM 536 CG2 ILE C 642 17.722 10.778 5.097 1.00 57.37 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	885 ATOM 537 CD1 ILE C 642 17.480 12.825 7.287 1.00 48.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	886 ATOM 538 H ILE C 642 13.884 11.813 5.980 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	887 ATOM 539 N HIS C 643 14.415 8.904 4.785 1.00 55.14 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	888 ATOM 540 CA HIS C 643 14.197 7.568 4.280 1.00 56.94 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	889 ATOM 541 C HIS C 643 13.527 7.512 2.940 1.00 55.82 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	890 ATOM 542 O HIS C 643 13.928 6.699 2.100 1.00 55.49 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	891 ATOM 543 CB HIS C 643 13.347 6.771 5.191 1.00 63.78 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	892 ATOM 544 CG HIS C 643 14.340 6.051 6.088 1.00 73.07 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	893 ATOM 545 ND1 HIS C 643 14.544 4.739 6.144 1.00 78.26 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	894 ATOM 546 CD2 HIS C 643 15.193 6.704 6.938 1.00 77.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	895 ATOM 547 CE1 HIS C 643 15.501 4.583 6.998 1.00 81.50 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	896 ATOM 548 NE2 HIS C 643 15.885 5.758 7.472 1.00 81.84 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	897 ATOM 549 H HIS C 643 13.952 9.236 5.598 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	898 ATOM 550 HD1 HIS C 643 14.017 4.059 5.688 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	899 ATOM 551 HE2 HIS C 643 16.617 5.921 8.100 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	900 ATOM 552 N SER C 644 12.502 8.344 2.761 1.00 55.58 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	901 ATOM 553 CA SER C 644 11.826 8.384 1.478 1.00 54.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	902 ATOM 554 C SER C 644 12.782 8.888 0.398 1.00 53.50 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	903 ATOM 555 O SER C 644 12.797 8.293 -0.691 1.00 53.52 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	904 ATOM 556 CB SER C 644 10.644 9.369 1.377 1.00 56.29 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	905 ATOM 557 OG SER C 644 9.823 9.759 2.572 1.00 59.92 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	906 ATOM 558 H SER C 644 12.128 8.851 3.524 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	907 ATOM 559 HG SER C 644 9.441 8.970 2.959 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	908 ATOM 560 N LEU C 645 13.612 9.918 0.673 1.00 51.33 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	909 ATOM 561 CA LEU C 645 14.485 10.438 -0.351 1.00 48.71 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	910 ATOM 562 C LEU C 645 15.593 9.476 -0.651 1.00 48.35 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	911 ATOM 563 O LEU C 645 15.914 9.316 -1.820 1.00 49.33 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	912 ATOM 564 CB LEU C 645 15.027 11.807 0.080 1.00 45.58 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	913 ATOM 565 CG LEU C 645 13.979 12.903 0.305 1.00 39.61 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	914 ATOM 566 CD1 LEU C 645 14.665 14.149 0.710 1.00 41.30 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	915 ATOM 567 CD2 LEU C 645 13.200 13.183 -0.954 1.00 38.15 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	916 ATOM 568 H LEU C 645 13.620 10.325 1.566 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	917 ATOM 569 N ILE C 646 16.114 8.734 0.334 1.00 48.24 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	918 ATOM 570 CA ILE C 646 17.178 7.748 0.106 1.00 48.80 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	919 ATOM 571 C ILE C 646 16.595 6.620 -0.736 1.00 51.17 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	920 ATOM 572 O ILE C 646 17.236 6.140 -1.676 1.00 50.43 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	921 ATOM 573 CB ILE C 646 17.720 7.222 1.450 1.00 44.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	922 ATOM 574 CG1 ILE C 646 18.414 8.325 2.218 1.00 43.19 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	923 ATOM 575 CG2 ILE C 646 18.745 6.158 1.182 1.00 43.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	924 ATOM 576 CD1 ILE C 646 18.854 7.897 3.621 1.00 39.46 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	925 ATOM 577 H ILE C 646 15.785 8.879 1.246 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	926 ATOM 578 N GLU C 647 15.348 6.236 -0.482 1.00 54.35 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	927 ATOM 579 CA GLU C 647 14.685 5.186 -1.244 1.00 56.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	928 ATOM 580 C GLU C 647 14.377 5.647 -2.682 1.00 57.37 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	929 ATOM 581 O GLU C 647 14.604 4.923 -3.662 1.00 58.06 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	930 ATOM 582 CB GLU C 647 13.408 4.828 -0.527 1.00 62.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	931 ATOM 583 CG GLU C 647 12.691 3.564 -1.047 1.00 71.88 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	932 ATOM 584 CD GLU C 647 11.372 3.218 -0.346 1.00 79.96 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	933 ATOM 585 OE1 GLU C 647 10.947 3.931 0.578 1.00 83.26 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	934 ATOM 586 OE2 GLU C 647 10.766 2.217 -0.738 1.00 83.60 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	935 ATOM 587 H GLU C 647 14.843 6.711 0.208 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	936 ATOM 588 N GLU C 648 13.876 6.871 -2.874 1.00 57.16 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	937 ATOM 589 CA GLU C 648 13.588 7.431 -4.178 1.00 57.13 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	938 ATOM 590 C GLU C 648 14.863 7.517 -4.984 1.00 55.73 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	939 ATOM 591 O GLU C 648 14.864 7.188 -6.175 1.00 55.55 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	940 ATOM 592 CB GLU C 648 13.051 8.796 -4.039 1.00 62.05 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	941 ATOM 593 CG GLU C 648 12.503 9.437 -5.318 1.00 74.11 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	942 ATOM 594 CD GLU C 648 11.969 10.872 -5.126 1.00 85.94 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	943 ATOM 595 OE1 GLU C 648 11.991 11.409 -4.008 1.00 91.79 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	944 ATOM 596 OE2 GLU C 648 11.521 11.471 -6.110 1.00 88.20 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	945 ATOM 597 H GLU C 648 13.711 7.409 -2.074 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	946 ATOM 598 N SER C 649 15.950 7.961 -4.364 1.00 54.84 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	947 ATOM 599 CA SER C 649 17.251 8.032 -4.994 1.00 53.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	948 ATOM 600 C SER C 649 17.811 6.694 -5.403 1.00 52.80 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	949 ATOM 601 O SER C 649 18.368 6.564 -6.482 1.00 53.07 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	950 ATOM 602 CB SER C 649 18.191 8.704 -4.055 1.00 52.08 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	951 ATOM 603 OG SER C 649 17.841 10.043 -3.742 1.00 48.93 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	952 ATOM 604 H SER C 649 15.881 8.274 -3.436 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	953 ATOM 605 HG SER C 649 17.888 10.547 -4.561 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	954 ATOM 606 N GLN C 650 17.622 5.684 -4.563 1.00 52.79 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	955 ATOM 607 CA GLN C 650 17.985 4.285 -4.808 1.00 53.64 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	956 ATOM 608 C GLN C 650 17.303 3.776 -6.071 1.00 53.04 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	957 ATOM 609 O GLN C 650 17.951 3.085 -6.882 1.00 54.05 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	958 ATOM 610 CB GLN C 650 17.547 3.387 -3.634 1.00 56.65 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	959 ATOM 611 CG GLN C 650 18.565 2.745 -2.685 1.00 62.17 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	960 ATOM 612 CD GLN C 650 17.982 2.264 -1.334 1.00 66.78 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	961 ATOM 613 OE1 GLN C 650 16.991 1.535 -1.224 1.00 69.78 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	962 ATOM 614 NE2 GLN C 650 18.538 2.637 -0.192 1.00 67.82 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	963 ATOM 615 H GLN C 650 17.260 5.899 -3.670 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	964 ATOM 616 HE21 GLN C 650 18.083 2.295 0.609 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	965 ATOM 617 HE22 GLN C 650 19.324 3.204 -0.193 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	966 ATOM 618 N ASN C 651 16.035 4.183 -6.268 1.00 51.27 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	967 ATOM 619 CA ASN C 651 15.261 3.761 -7.435 1.00 49.91 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	968 ATOM 620 C ASN C 651 15.708 4.500 -8.681 1.00 48.34 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	969 ATOM 621 O ASN C 651 15.988 3.912 -9.726 1.00 47.51 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	970 ATOM 622 CB ASN C 651 13.776 4.018 -7.246 1.00 49.79 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	971 ATOM 623 CG ASN C 651 13.276 3.154 -6.125 1.00 53.41 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	972 ATOM 624 OD1 ASN C 651 13.709 2.010 -5.961 1.00 52.64 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	973 ATOM 625 ND2 ASN C 651 12.418 3.728 -5.276 1.00 59.61 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	974 ATOM 626 H ASN C 651 15.627 4.783 -5.608 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	975 ATOM 627 HD21 ASN C 651 12.154 3.212 -4.475 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	976 ATOM 628 HD22 ASN C 651 12.157 4.647 -5.399 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	977 ATOM 629 N GLN C 652 15.864 5.821 -8.587 1.00 47.33 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	978 ATOM 630 CA GLN C 652 16.350 6.623 -9.690 1.00 47.23 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	979 ATOM 631 C GLN C 652 17.758 6.187 -10.002 1.00 47.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	980 ATOM 632 O GLN C 652 18.093 6.195 -11.164 1.00 48.04 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	981 ATOM 633 CB GLN C 652 16.307 8.040 -9.279 1.00 45.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	982 ATOM 634 CG GLN C 652 16.453 9.174 -10.302 1.00 47.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	983 ATOM 635 CD GLN C 652 15.382 9.271 -11.366 1.00 51.30 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	984 ATOM 636 OE1 GLN C 652 14.275 9.750 -11.134 1.00 51.42 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	985 ATOM 637 NE2 GLN C 652 15.688 8.915 -12.603 1.00 47.15 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	986 ATOM 638 H GLN C 652 15.598 6.247 -7.749 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	987 ATOM 639 HE21 GLN C 652 14.985 8.988 -13.303 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	988 ATOM 640 HE22 GLN C 652 16.588 8.582 -12.832 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	989 ATOM 641 N GLN C 653 18.596 5.741 -9.080 1.00 47.45 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	990 ATOM 642 CA GLN C 653 19.926 5.262 -9.403 1.00 49.03 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	991 ATOM 643 C GLN C 653 19.851 4.058 -10.322 1.00 51.89 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	992 ATOM 644 O GLN C 653 20.554 4.029 -11.335 1.00 52.35 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	993 ATOM 645 CB GLN C 653 20.669 4.856 -8.157 1.00 47.54 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	994 ATOM 646 CG GLN C 653 22.164 4.660 -8.449 1.00 46.28 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	995 ATOM 647 CD GLN C 653 22.929 5.903 -8.922 1.00 45.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	996 ATOM 648 OE1 GLN C 653 22.474 7.036 -8.956 1.00 45.74 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	997 ATOM 649 NE2 GLN C 653 24.191 5.913 -9.220 1.00 45.80 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	998 ATOM 650 H GLN C 653 18.285 5.717 -8.155 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	999 ATOM 651 HE21 GLN C 653 24.602 6.803 -9.348 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1000 ATOM 652 HE22 GLN C 653 24.738 5.108 -9.124 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1001 ATOM 653 N GLU C 654 18.952 3.102 -10.025 1.00 54.43 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1002 ATOM 654 CA GLU C 654 18.763 1.932 -10.883 1.00 55.77 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1003 ATOM 655 C GLU C 654 18.222 2.339 -12.253 1.00 55.11 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1004 ATOM 656 O GLU C 654 18.762 1.916 -13.285 1.00 55.24 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1005 ATOM 657 CB GLU C 654 17.815 0.928 -10.199 1.00 59.12 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1006 ATOM 658 CG GLU C 654 18.515 0.035 -9.155 1.00 69.14 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1007 ATOM 659 CD GLU C 654 17.642 -0.522 -8.002 1.00 76.48 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1008 ATOM 660 OE1 GLU C 654 17.220 0.245 -7.134 1.00 77.99 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1009 ATOM 661 OE2 GLU C 654 17.376 -1.728 -7.946 1.00 78.90 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1010 ATOM 662 H GLU C 654 18.388 3.228 -9.231 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1011 ATOM 663 N LYS C 655 17.219 3.226 -12.313 1.00 54.37 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1012 ATOM 664 CA LYS C 655 16.635 3.697 -13.564 1.00 54.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1013 ATOM 665 C LYS C 655 17.643 4.441 -14.445 1.00 54.88 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1014 ATOM 666 O LYS C 655 17.713 4.286 -15.665 1.00 54.37 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1015 ATOM 667 CB LYS C 655 15.456 4.583 -13.204 1.00 54.89 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1016 ATOM 668 CG LYS C 655 14.495 4.868 -14.361 1.00 59.61 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1017 ATOM 669 CD LYS C 655 13.201 5.577 -13.910 1.00 65.23 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1018 ATOM 670 CE LYS C 655 12.251 4.748 -13.002 1.00 68.13 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1019 ATOM 671 NZ LYS C 655 10.937 5.360 -12.806 1.00 69.83 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1020 ATOM 672 H LYS C 655 16.858 3.551 -11.458 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1021 ATOM 673 HZ1 LYS C 655 11.029 6.298 -12.366 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1022 ATOM 674 HZ2 LYS C 655 10.454 5.475 -13.724 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1023 ATOM 675 HZ3 LYS C 655 10.344 4.756 -12.200 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1024 ATOM 676 N ASN C 656 18.474 5.275 -13.838 1.00 56.18 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1025 ATOM 677 CA ASN C 656 19.463 6.063 -14.534 1.00 56.44 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1026 ATOM 678 C ASN C 656 20.510 5.128 -15.026 1.00 57.72 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1027 ATOM 679 O ASN C 656 20.860 5.283 -16.194 1.00 58.23 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1028 ATOM 680 CB ASN C 656 20.117 7.094 -13.615 1.00 56.38 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1029 ATOM 681 CG ASN C 656 19.142 8.214 -13.246 1.00 57.60 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1030 ATOM 682 OD1 ASN C 656 18.270 8.618 -14.035 1.00 59.08 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1031 ATOM 683 ND2 ASN C 656 19.141 8.698 -12.009 1.00 57.31 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1032 ATOM 684 H ASN C 656 18.353 5.436 -12.874 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1033 ATOM 685 HD21 ASN C 656 18.438 9.305 -11.726 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1034 ATOM 686 HD22 ASN C 656 19.787 8.297 -11.386 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1035 ATOM 687 N GLU C 657 20.960 4.129 -14.248 1.00 58.95 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1036 ATOM 688 CA GLU C 657 21.918 3.154 -14.752 1.00 61.26 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1037 ATOM 689 C GLU C 657 21.326 2.381 -15.914 1.00 62.47 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1038 ATOM 690 O GLU C 657 21.999 2.178 -16.920 1.00 62.52 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1039 ATOM 691 CB GLU C 657 22.297 2.184 -13.687 1.00 62.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1040 ATOM 692 CG GLU C 657 23.051 2.811 -12.514 1.00 65.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1041 ATOM 693 CD GLU C 657 23.410 1.852 -11.389 1.00 68.51 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1042 ATOM 694 OE1 GLU C 657 23.152 0.650 -11.481 1.00 72.44 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1043 ATOM 695 OE2 GLU C 657 23.970 2.322 -10.407 1.00 69.49 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1044 ATOM 696 H GLU C 657 20.656 4.056 -13.317 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1045 ATOM 697 N GLN C 658 20.051 1.999 -15.851 1.00 63.77 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1046 ATOM 698 CA GLN C 658 19.379 1.342 -16.972 1.00 64.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1047 ATOM 699 C GLN C 658 19.373 2.235 -18.211 1.00 64.88 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1048 ATOM 700 O GLN C 658 19.620 1.701 -19.282 1.00 64.89 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1049 ATOM 701 CB GLN C 658 17.908 1.040 -16.710 1.00 67.79 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1050 ATOM 702 CG GLN C 658 17.473 0.109 -15.580 1.00 69.56 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1051 ATOM 703 CD GLN C 658 15.981 0.184 -15.253 1.00 71.90 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1052 ATOM 704 OE1 GLN C 658 15.214 1.130 -15.491 1.00 69.19 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1053 ATOM 705 NE2 GLN C 658 15.580 -0.892 -14.597 1.00 73.46 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1054 ATOM 706 H GLN C 658 19.527 2.154 -15.036 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1055 ATOM 707 HE21 GLN C 658 14.637 -0.917 -14.331 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1056 ATOM 708 HE22 GLN C 658 16.241 -1.579 -14.383 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1057 ATOM 709 N GLU C 659 19.099 3.533 -18.086 1.00 64.42 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1058 ATOM 710 CA GLU C 659 19.001 4.408 -19.239 1.00 64.32 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1059 ATOM 711 C GLU C 659 20.328 4.664 -19.917 1.00 62.40 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1060 ATOM 712 O GLU C 659 20.389 5.040 -21.080 1.00 61.69 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1061 ATOM 713 CB GLU C 659 18.413 5.726 -18.809 1.00 68.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1062 ATOM 714 CG GLU C 659 18.001 6.640 -19.976 1.00 78.11 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1063 ATOM 715 CD GLU C 659 17.379 7.956 -19.530 1.00 86.51 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1064 ATOM 716 OE1 GLU C 659 17.214 8.159 -18.321 1.00 90.49 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1065 ATOM 717 OE2 GLU C 659 17.049 8.781 -20.388 1.00 90.41 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1066 ATOM 718 H GLU C 659 18.930 3.898 -17.190 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1067 ATOM 719 N LEU C 660 21.374 4.592 -19.120 1.00 61.04 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1068 ATOM 720 CA LEU C 660 22.691 4.691 -19.683 1.00 60.69 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1069 ATOM 721 C LEU C 660 23.036 3.531 -20.613 1.00 60.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1070 ATOM 722 O LEU C 660 23.705 3.774 -21.615 1.00 60.27 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1071 ATOM 723 CB LEU C 660 23.697 4.805 -18.521 1.00 60.36 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1072 ATOM 724 CG LEU C 660 24.642 6.019 -18.618 1.00 59.86 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1073 ATOM 725 CD1 LEU C 660 23.883 7.314 -18.999 1.00 64.42 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1074 ATOM 726 CD2 LEU C 660 25.334 6.131 -17.317 1.00 55.37 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1075 ATOM 727 H LEU C 660 21.231 4.584 -18.144 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1076 ATOM 728 N LEU C 661 22.575 2.323 -20.325 1.00 60.33 N
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1077 ATOM 729 CA LEU C 661 22.856 1.140 -21.141 1.00 60.95 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1078 ATOM 730 C LEU C 661 22.049 0.974 -22.446 1.00 61.99 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1079 ATOM 731 O LEU C 661 20.871 1.318 -22.502 1.00 60.13 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1080 ATOM 732 CB LEU C 661 22.646 -0.115 -20.264 1.00 59.85 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1081 ATOM 733 CG LEU C 661 23.452 -0.260 -18.988 1.00 57.97 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1082 ATOM 734 CD1 LEU C 661 23.106 -1.535 -18.261 1.00 57.79 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1083 ATOM 735 CD2 LEU C 661 24.896 -0.304 -19.360 1.00 54.71 C
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1084 ATOM 736 H LEU C 661 21.881 2.223 -19.630 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1085 TER 737 LEU C 661
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1086 HETATM 738 O HOH N 13 14.145 18.206 2.097 1.00 57.88 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1087 HETATM 739 H1 HOH N 13 14.620 17.400 2.308 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1088 HETATM 740 H2 HOH N 13 13.290 18.116 2.522 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1089 HETATM 741 O HOH N 17 15.788 9.728 -7.160 1.00 65.57 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1090 HETATM 742 H1 HOH N 17 16.729 9.881 -7.059 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1091 HETATM 743 H2 HOH N 17 15.600 8.894 -6.726 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1092 HETATM 744 O HOH N 20 14.009 23.313 28.896 1.00 73.77 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1093 HETATM 745 H1 HOH N 20 14.838 23.163 28.435 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1094 HETATM 746 H2 HOH N 20 13.892 22.574 29.472 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1095 HETATM 747 O HOH N 21 13.472 10.407 -8.621 1.00 45.61 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1096 HETATM 748 H1 HOH N 21 13.745 10.082 -9.473 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1097 HETATM 749 H2 HOH N 21 14.142 10.063 -8.014 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1098 HETATM 750 O HOH N 22 11.244 11.155 -10.623 1.00 56.60 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1099 HETATM 751 H1 HOH N 22 10.350 11.480 -10.481 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1100 HETATM 752 H2 HOH N 22 11.708 11.979 -10.633 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1101 HETATM 753 O HOH N 29 16.849 14.385 -20.221 1.00 59.72 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1102 HETATM 754 H1 HOH N 29 16.623 13.960 -19.443 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1103 HETATM 755 H2 HOH N 29 16.025 14.098 -20.716 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1104 HETATM 756 O HOH N 30 23.359 25.370 14.837 1.00 57.74 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1105 HETATM 757 H1 HOH N 30 23.884 26.063 14.430 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1106 HETATM 758 H2 HOH N 30 23.387 25.608 15.758 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1107 HETATM 759 O HOH N 31 17.498 22.874 16.925 1.00 93.45 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1108 HETATM 760 H1 HOH N 31 17.242 23.753 16.701 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1109 HETATM 761 H2 HOH N 31 16.839 22.592 17.567 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1110 HETATM 762 O HOH N 32 20.348 23.693 23.117 1.00 63.40 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1111 HETATM 763 H1 HOH N 32 21.038 23.780 23.785 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1112 HETATM 764 H2 HOH N 32 20.407 22.764 22.840 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1113 HETATM 765 O HOH N 33 26.302 25.733 28.760 1.00 74.83 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1114 HETATM 766 H1 HOH N 33 26.307 26.586 28.361 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1115 HETATM 767 H2 HOH N 33 25.982 25.835 29.661 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1116 HETATM 768 O HOH N 34 25.950 24.779 25.047 1.00 73.62 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1117 HETATM 769 H1 HOH N 34 26.734 24.588 25.612 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1118 HETATM 770 H2 HOH N 34 26.332 25.366 24.401 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1119 HETATM 771 O HOH N 35 11.696 17.842 0.575 1.00 63.54 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1120 HETATM 772 H1 HOH N 35 12.559 17.505 0.750 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1121 HETATM 773 H2 HOH N 35 11.078 17.126 0.562 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1122 HETATM 774 O HOH N 36 14.262 19.203 4.844 1.00 48.44 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1123 HETATM 775 H1 HOH N 36 13.591 19.435 5.469 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1124 HETATM 776 H2 HOH N 36 15.124 19.290 5.226 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1125 HETATM 777 O HOH N 37 15.984 22.052 -2.490 1.00 62.80 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1126 HETATM 778 H1 HOH N 37 15.327 21.946 -3.200 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1127 HETATM 779 H2 HOH N 37 15.529 21.751 -1.706 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1128 HETATM 780 O HOH N 38 16.135 20.908 -5.213 1.00 82.35 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1129 HETATM 781 H1 HOH N 38 16.482 20.062 -4.835 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1130 HETATM 782 H2 HOH N 38 15.378 20.538 -5.665 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1131 HETATM 783 O HOH N 40 9.077 12.911 -2.911 1.00 64.88 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1132 HETATM 784 H1 HOH N 40 8.184 13.199 -3.064 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1133 HETATM 785 H2 HOH N 40 9.394 12.597 -3.765 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1134 HETATM 786 O HOH C 1 20.374 11.213 -18.121 1.00 71.66 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1135 HETATM 787 H1 HOH C 1 20.431 10.325 -18.535 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1136 HETATM 788 H2 HOH C 1 19.472 11.248 -17.822 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1137 HETATM 789 O HOH C 2 21.271 8.706 -17.797 1.00 41.79 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1138 HETATM 790 H1 HOH C 2 21.310 7.838 -17.376 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1139 HETATM 791 H2 HOH C 2 22.207 8.971 -17.787 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1140 HETATM 792 O HOH C 3 20.650 1.729 -6.022 1.00 46.90 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1141 HETATM 793 H1 HOH C 3 19.744 1.986 -6.245 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1142 HETATM 794 H2 HOH C 3 21.074 2.571 -5.777 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1143 HETATM 795 O HOH C 4 22.303 1.121 -8.408 1.00 60.62 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1144 HETATM 796 H1 HOH C 4 22.825 1.923 -8.306 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1145 HETATM 797 H2 HOH C 4 21.811 1.091 -7.565 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1146 HETATM 798 O HOH C 5 12.657 5.253 8.200 1.00 56.12 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1147 HETATM 799 H1 HOH C 5 12.382 4.344 8.353 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1148 HETATM 800 H2 HOH C 5 11.869 5.752 8.457 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1149 HETATM 801 O HOH C 6 9.078 18.813 26.094 1.00 49.33 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1150 HETATM 802 H1 HOH C 6 9.131 17.970 25.664 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1151 HETATM 803 H2 HOH C 6 9.244 19.463 25.419 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1152 HETATM 804 O HOH C 7 7.670 21.185 11.788 1.00 53.95 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1153 HETATM 805 H1 HOH C 7 7.025 21.036 12.470 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1154 HETATM 806 H2 HOH C 7 8.510 21.265 12.230 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1155 HETATM 807 O HOH C 8 8.303 19.620 23.607 1.00 92.51 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1156 HETATM 808 H1 HOH C 8 8.399 18.988 22.917 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1157 HETATM 809 H2 HOH C 8 9.047 20.193 23.630 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1158 HETATM 810 O HOH C 9 14.426 18.177 16.971 1.00 91.64 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1159 HETATM 811 H1 HOH C 9 15.010 18.890 16.831 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1160 HETATM 812 H2 HOH C 9 13.573 18.570 17.105 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1161 HETATM 813 O HOH C 10 6.660 18.291 14.901 1.00 47.78 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1162 HETATM 814 H1 HOH C 10 6.912 18.615 14.042 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1163 HETATM 815 H2 HOH C 10 7.036 18.893 15.527 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1164 HETATM 816 O HOH C 11 9.801 17.869 7.746 1.00 50.95 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1165 HETATM 817 H1 HOH C 11 9.411 16.994 7.627 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1166 HETATM 818 H2 HOH C 11 10.574 17.739 8.259 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1167 HETATM 819 O HOH C 12 7.790 15.753 8.005 1.00 53.41 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1168 HETATM 820 H1 HOH C 12 7.613 15.541 8.927 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1169 HETATM 821 H2 HOH C 12 8.562 15.235 7.778 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1170 HETATM 822 O HOH C 14 12.314 6.447 -8.867 1.00 65.60 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1171 HETATM 823 H1 HOH C 14 12.737 7.223 -9.273 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1172 HETATM 824 H2 HOH C 14 12.746 6.378 -8.026 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1173 HETATM 825 O HOH C 15 21.545 -1.804 -13.790 1.00 49.07 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1174 HETATM 826 H1 HOH C 15 21.496 -2.647 -14.243 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1175 HETATM 827 H2 HOH C 15 20.714 -1.364 -13.979 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1176 HETATM 828 O HOH C 16 22.569 8.158 -11.409 1.00 46.71 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1177 HETATM 829 H1 HOH C 16 22.403 7.556 -10.690 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1178 HETATM 830 H2 HOH C 16 22.970 8.920 -10.966 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1179 HETATM 831 O HOH C 18 7.205 11.385 12.307 1.00 55.74 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1180 HETATM 832 H1 HOH C 18 8.081 11.402 11.900 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1181 HETATM 833 H2 HOH C 18 6.937 12.318 12.282 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1182 HETATM 834 O HOH C 19 9.847 10.295 -2.390 1.00 38.62 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1183 HETATM 835 H1 HOH C 19 8.917 10.375 -2.193 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1184 HETATM 836 H2 HOH C 19 10.216 9.724 -1.732 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1185 HETATM 837 O HOH C 23 4.167 17.232 14.430 1.00 59.26 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1186 HETATM 838 H1 HOH C 23 3.234 17.266 14.255 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1187 HETATM 839 H2 HOH C 23 4.325 17.835 15.160 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1188 HETATM 840 O HOH C 24 7.289 13.019 7.362 1.00 59.36 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1189 HETATM 841 H1 HOH C 24 6.985 13.870 7.006 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1190 HETATM 842 H2 HOH C 24 6.571 12.413 7.174 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1191 HETATM 843 O HOH C 25 7.898 10.616 4.187 1.00 53.34 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1192 HETATM 844 H1 HOH C 25 8.656 10.430 4.750 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1193 HETATM 845 H2 HOH C 25 8.245 10.424 3.311 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1194 HETATM 846 O HOH C 26 18.700 5.086 6.487 1.00 58.77 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1195 HETATM 847 H1 HOH C 26 19.339 4.385 6.621 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1196 HETATM 848 H2 HOH C 26 18.262 5.154 7.320 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1197 HETATM 849 O HOH C 27 14.706 8.287 -15.323 1.00 71.36 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1198 HETATM 850 H1 HOH C 27 13.983 8.106 -15.937 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1199 HETATM 851 H2 HOH C 27 15.493 8.205 -15.863 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1200 HETATM 852 O HOH C 28 17.583 10.761 -18.187 1.00 49.62 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1201 HETATM 853 H1 HOH C 28 17.448 10.166 -18.942 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1202 HETATM 854 H2 HOH C 28 17.684 10.091 -17.473 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1203 HETATM 855 O HOH C 39 10.937 6.573 -6.161 1.00 63.06 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1204 HETATM 856 H1 HOH C 39 11.244 5.996 -5.478 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1205 HETATM 857 H2 HOH C 39 11.691 7.003 -6.564 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1206 HETATM 858 O HOH C 41 13.272 7.391 13.889 1.00 65.83 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1207 HETATM 859 H1 HOH C 41 13.766 6.842 13.286 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1208 HETATM 860 H2 HOH C 41 13.421 8.306 13.606 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1209 HETATM 861 O HOH C 42 6.871 10.837 16.390 1.00 58.39 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1210 HETATM 862 H1 HOH C 42 6.258 11.055 15.679 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1211 HETATM 863 H2 HOH C 42 7.611 11.410 16.223 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1212 HETATM 864 O HOH C 43 14.184 12.148 23.463 1.00 73.66 O
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1213 HETATM 865 H1 HOH C 43 14.543 11.552 22.797 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1214 HETATM 866 H2 HOH C 43 13.316 12.368 23.168 1.00 0.00 H
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1215 CONECT 1 2 3 4
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1216 CONECT 2 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1217 CONECT 3 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1218 CONECT 4 1
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1219 CONECT 369 370 371 372
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1220 CONECT 370 369
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1221 CONECT 371 369
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1222 CONECT 372 369
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1223 MASTER 280 0 2 2 0 0 0 6 637 2 8 6
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty jjohnson parents: diff changeset	1224 END

Mercurial > repos > jjohnson > opencontact

annotate test-data/1AIK.pdb @ 2:52d76e9da089 draft default tip