一个PDB文件
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一个PDB文件
说明：PDB文件是蛋白质数据库中的数据文件，它是分子图形软件MOL4D能接受的一种文件，用于产生蛋白质的各种3D模型。下图就是用MOL4D对后跟的猪胰岛素PDB文件2ZN所产生的一种模型——球棒模型：
HEADER HORMONE 10-JUL-89 4INS
TITLE THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 ANGSTROMS RESOLUTIONCOMPND MOL_ID: 1;
COMPND 2 MOLECULE: INSULIN (CHAIN A);
COMPND 3 CHAIN: A, C;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: INSULIN (CHAIN B);
COMPND 7 CHAIN: B, D;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA;
SOURCE 3 ORGANISM_COMMON: PIG;
SOURCE 4 ORGANISM_TAXID: 9823;
SOURCE 5 MOL_ID: 2;
SOURCE 6 ORGANISM_SCIENTIFIC: SUS SCROFA;
SOURCE 7 ORGANISM_COMMON: PIG;
SOURCE 8 ORGANISM_TAXID: 9823
KEYWDS HORMONE
EXPDTA X-RAY DIFFRACTION
AUTHOR G.G.DODSON,E.J.DODSON,D.C.HODGKIN,N.W.ISAACS,M.VIJAYAN
REVDAT 6 29-FEB-12 4INS 1 JRNL VERSN
REVDAT 5 24-FEB-09 4INS 1 VERSN
REVDAT 4 01-APR-03 4INS 1 JRNL
REVDAT 3 31-JUL-94 4INS 3 HETATM
REVDAT 2 15-JUL-93 4INS 1 HEADER
REVDAT 1 15-APR-90 4INS 0
SPRSDE 15-APR-90 4INS 1INS
JRNL AUTH E.N.BAKER,T.L.BLUNDELL,J.F.CUTFIELD,S.M.CUTFIELD,E.J.DODSON,
JRNL AUTH 2 G.G.DODSON,D.M.HODGKIN,R.E.HUBBARD,N.W.ISAACS,C.D.REYNOLDS,
JRNL AUTH 3 K.SAKABE,N.SAKABE,N.M.VIJAYAN
JRNL TITL THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 A
JRNL TITL 2 RESOLUTION.
JRNL REF PHILOS.TRANS.R.SOC.LONDON, V. 319 369 1988
JRNL REF 2 SER.B
JRNL REFN ISSN 0080-4622
JRNL PMID 2905485
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.BORDAS,G.G.DODSON,H.GREWE,M.H.J.KOCH,B.KREBS,J.RANDALL
REMARK 1 TITL A COMPARATIVE ASSESSMENT OF THE ZINC-PROTEIN COORDINATION IN
REMARK 1 TITL 2 2ZN-INSULIN AS DETERMINED BY X-RAY ABSORPTION FINE STRUCTURE
REMARK 1 TITL 3 (EXAFS) AND X-RAY CRYSTALLOGRAPHY
REMARK 1 REF PROC.R.SOC.LONDON,SER.B V. 219 21 1983
REMARK 1 REFN ISSN 0080-4649
REMARK 1 REFERENCE 2
REMARK 1 AUTH E.J.DODSON,G.G.DODSON,D.C.HODGKIN,C.D.REYNOLDS
REMARK 1 TITL STRUCTURAL RELATIONSHIPS IN THE TWO-ZINC INSULIN HEXAMER
REMARK 1 REF CAN.J.BIOCHEM. V. 57 469 1979
REMARK 1 REFN ISSN 0008-4018
REMARK 1 REFERENCE 3
REMARK 1 AUTH N.W.ISAACS,R.C.AGARWAL
REMARK 1 TITL EXPERIENCE WITH FAST FOURIER LEAST SQUARES IN THE REFINEMENT
REMARK 1 TITL 2 OF THE CRYSTAL STRUCTURE OF RHOMBOHEDRAL 2-ZINC INSULIN AT
REMARK 1 TITL 3 1.5 ANGSTROMS RESOLUTION
REMARK 1 REF ACTA CRYSTALLOGR.,SECT.A V. 34 782 1978
REMARK 1 REFN ISSN 0108-7673
REMARK 1 REFERENCE 4
REMARK 1 AUTH G.BENTLEY,G.DODSON,A.LEWITOVA
REMARK 1 TITL RHOMBOHEDRAL INSULIN CRYSTAL TRANSFORMATION
REMARK 1 REF J.MOL.BIOL. V. 126 871 1978
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 5
REMARK 1 AUTH E.J.DODSON,N.W.ISAACS,J.S.ROLLETT
REMARK 1 TITL A METHOD FOR FITTING SATISFACTORY MODELS TO SETS OF ATOMIC
REMARK 1 TITL 2 POSITIONS IN PROTEIN STRUCTURE REFINEMENTS
REMARK 1 REF ACTA CRYSTALLOGR.,SECT.A V. 32 311 1976
REMARK 1 REFN ISSN 0108-7673
REMARK 1 REFERENCE 6
REMARK 1 AUTH D.C.HODGKIN
REMARK 1 TITL VARIETIES OF INSULIN
REMARK 1 REF J.ENDOCRINOL. V. 63 1 1974
REMARK 1 REFN ISSN 0022-0795
REMARK 1 REFERENCE 7
REMARK 1 AUTH D.C.HODGKIN
REMARK 1 TITL THE STRUCTURE OF INSULIN
REMARK 1 REF DAN.TIDSSKR.FARM. V. 46 1 1972
REMARK 1 REFN ISSN 0011-6513
REMARK 1 REFERENCE 8
REMARK 1 AUTH T.BLUNDELL,G.DODSON,D.HODGKIN,D.MERCOLA
REMARK 1 TITL INSULIN. THE STRUCTURE IN THE CRYSTAL AND ITS REFLECTION IN
REMARK 1 TITL 2 CHEMISTRY AND BIOLOGY
REMARK 1 REF ADV.PROTEIN CHEM. V. 26 279 1972
REMARK 1 REFN ISSN 0065-3233
REMARK 1 REFERENCE 9
REMARK 1 AUTH T.L.BLUNDELL,J.F.CUTFIELD,E.J.DODSON,G.G.DODSON,D.C.HODGKIN,
REMARK 1 AUTH 2 D.A.MERCOLA
REMARK 1 TITL THE CRYSTAL STRUCTURE OF RHOMBOHEDRAL 2 ZINC INSULIN
REMARK 1 REF COLD SPRING HARBOR V. 36 233 1972
REMARK 1 REF 2 SYMP.QUANT.BIOL.
REMARK 1 REFN ISSN 0091-7451
REMARK 1 REFERENCE 10
REMARK 1 AUTH T.L.BLUNDELL,J.F.CUTFIELD,S.M.CUTFIELD,E.J.DODSON,
REMARK 1 AUTH 2 G.G.DODSON,D.C.HODGKIN,D.A.MERCOLA,M.VIJAYAN
REMARK 1 TITL ATOMIC POSITIONS IN RHOMBOHEDRAL 2-ZINC INSULIN CRYSTALS
REMARK 1 REF NATURE V. 231 506 1971
REMARK 1 REFN ISSN 0028-0836
REMARK 1 REFERENCE 11
REMARK 1 AUTH T.L.BLUNDELL,G.G.DODSON,E.DODSON,D.C.HODGKIN,M.VIJAYAN
REMARK 1 TITL X-RAY ANALYSIS AND THE STRUCTURE OF INSULIN
REMARK 1 REF RECENT PROG.HORM.RES. V. 27 1 1971
REMARK 1 REFN ISSN 0079-9963
REMARK 1 REFERENCE 12
REMARK 1 AUTH E.N.BAKER,G.DODSON
REMARK 1 TITL X-RAY DIFFRACTION DATA ON SOME CRYSTALLINE VARIETIES OF
REMARK 1 TITL 2 INSULIN
REMARK 1 REF J.MOL.BIOL. V. 54 605 1970
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 13
REMARK 1 AUTH M.J.ADAMS,T.L.BLUNDELL,E.J.DODSON,G.G.DODSON,M.VIJAYAN,
REMARK 1 AUTH 2 E.N.BAKER,M.M.HARDING,D.C.HODGKIN,B.RIMMER,S.SHEAT
REMARK 1 TITL STRUCTURE OF RHOMBOHEDRAL 2 ZINC INSULIN CRYSTALS
REMARK 1 REF NATURE V. 224 491 1969
REMARK 1 REFN ISSN 0028-0836
REMARK 1 REFERENCE 14
REMARK 1 EDIT M.O.DAYHOFF
REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 187 1972
REMARK 1 REF 2 AND STRUCTURE (DATA SECTION)
REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.
REMARK 1 REFN
REMARK 2
REMARK 2 RESOLUTION. 1.50 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PROLSQ
REMARK 3 AUTHORS : KONNERT,HENDRICKSON
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : NULL
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING + TEST SET) : 0.153
REMARK 3 R VALUE (WORKING SET) : NULL
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 806
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 2
REMARK 3 SOLVENT ATOMS : 350
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA
REMARK 3 BOND LENGTH (A) : 0.005 ; NULL
REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL
REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL
REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL
REMARK 3
REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL
REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL
REMARK 3
REMARK 3 NON-BONDED CONTACT RESTRAINTS.
REMARK 3 SINGLE TORSION (A) : NULL ; NULL
REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL
REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL
REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL
REMARK 3
REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS.
REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL
REMARK 3 PLANAR (DEGREES) : NULL ; NULL
REMARK 3 STAGGERED (DEGREES) : NULL ; NULL
REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 SOME RESIDUES ARE APPARENTLY DISORDERED BUT DIFFICULT TO
REMARK 3 DESCRIBE IN TERMS OF ATOMIC POSITIONS. ALA B 30 IS ONE OF
REMARK 3 THESE RESIDUES.
REMARK 3
REMARK 3 THE FOLLOWING RESIDUES ARE DISORDERED - GLN B 4, VAL B 12,
REMARK 3 GLU B 21, ARG B 22, ARG D 22, LYS D 29.
REMARK 4
REMARK 4 4INS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : NULL
REMARK 200 RADIATION SOURCE : NULL
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
REMARK 200 WAVELENGTH OR RANGE (A) : NULL
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : NULL
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 36.05
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z
REMARK 290 3555 -X+Y,-X,Z
REMARK 290 4555 X+2/3,Y+1/3,Z+1/3
REMARK 290 5555 -Y+2/3,X-Y+1/3,Z+1/3
REMARK 290 6555 -X+Y+2/3,-X+1/3,Z+1/3
REMARK 290 7555 X+1/3,Y+2/3,Z+2/3
REMARK 290 8555 -Y+1/3,X-Y+2/3,Z+2/3
REMARK 290 9555 -X+Y+1/3,-X+2/3,Z+2/3
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 41.25000
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 23.81570
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 11.33333
REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 41.25000
REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 23.81570
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 11.33333
REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 41.25000
REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 23.81570
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 11.33333
REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 47.63140
REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 22.66667
REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 47.63140
REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 22.66667
REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 47.63140
REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 22.66667
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 300 REMARK: THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT OF INSULIN CONSISTS OF
REMARK 300 TWO INSULIN MOLECULES EACH CONSISTING OF TWO CHAINS. THIS
REMARK 300 ENTRY PRESENTS COORDINATES FOR MOLECULES I (CHAIN
REMARK 300 INDICATORS *A* AND *B*) AND II (CHAIN INDICATORS *C* AND
REMARK 300 *D*). THE QUASI-TWO-FOLD AXIS THAT TRANSFORMS MOLECULE I
REMARK 300 INTO MOLECULE II IS GIVEN IN THE *MTRIX* RECORDS BELOW.
REMARK 300 APPLYING THE THREE-FOLD CRYSTALLOGRAPHIC AXIS YIELDS A
REMARK 300 HEXAMER AROUND THE AXIS. THERE ARE TWO ZINC IONS SITUATED
REMARK 300 ON THIS THREE-FOLD AXIS. COORDINATES FOR THE ZINC IONS AND
REMARK 300 SOME WATER MOLECULES ARE INCLUDED BELOW WITH A BLANK CHAIN
REMARK 300 INDICATOR.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 1680 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 3790 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 1740 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 3620 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 3
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 20600 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 12080 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -260.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 4
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 5730 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10440 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -95.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 5
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 5580 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10930 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -95.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 6
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 5120 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 5710 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -45.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 7
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 4820 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 6010 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -40.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 ZN ZN D 101 LIES ON A SPECIAL POSITION.
REMARK 375 HOH B 245 LIES ON A SPECIAL POSITION.
REMARK 375 HOH D 323 LIES ON A SPECIAL POSITION.
REMARK 375 HOH D 403 LIES ON A SPECIAL POSITION.
REMARK 375 HOH D 455 LIES ON A SPECIAL POSITION.
REMARK 375 ZN ZN B 101 LIES ON A SPECIAL POSITION.
REMARK 375 HOH B 224 LIES ON A SPECIAL POSITION.
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN B 101 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS B 10 NE2
REMARK 620 2 HOH B 213 O 90.2
REMARK 620 N 1
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: D1
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: DIMER-FORMING RESIDUES IN MOLECULE I
REMARK 800
REMARK 800 SITE_IDENTIFIER: D2
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: DIMER-FORMING RESIDUES IN MOLECULE II
REMARK 800
REMARK 800 SITE_IDENTIFIER: H1
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: HEXAMER-FORMING RESIDUES IN MOLECULE I
REMARK 800
REMARK 800 SITE_IDENTIFIER: H2
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: HEXAMER-FORMING RESIDUES IN MOLECULE II
REMARK 800
REMARK 800 SITE_IDENTIFIER: SI1
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: SURFACE-INVARIANT RESIDUES IN MOLECULE I NOT
REMARK 800 INVOLVED IN DIMERIZATION
REMARK 800
REMARK 800 SITE_IDENTIFIER: SI2
REMARK 800 EVIDENCE_CODE: AUTHOR
REMARK 800 SITE_DESCRIPTION: SURFACE-INVARIANT RESIDUES IN MOLECULE II NOT
REMARK 800 INVOLVED IN DIMERIZATION
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 31
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 31
DBREF 4INS A 1 21 UNP P01315 INS_PIG 88 108
DBREF 4INS B 1 30 UNP P01315 INS_PIG 25 54
DBREF 4INS C 1 21 UNP P01315 INS_PIG 88 108
DBREF 4INS D 1 30 UNP P01315 INS_PIG 25 54
SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU
SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN
SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU
SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR
SEQRES 3 B 30 THR PRO LYS ALA
SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU
SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN
SEQRES 1 D 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU
SEQRES 2 D 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR
SEQRES 3 D 30 THR PRO LYS ALA
HET ZN B 101 1
HET ZN D 101 1
HETNAM ZN ZINC ION
FORMUL 5 ZN 2(ZN 2+)
FORMUL 7 HOH *350(H2 O)
HELIX 1 A11 GLY A 1 ILE A 10 1VAL 203 O H-BONDED TO HOH 10
HELIX 2 A12 SER A 12 GLU A 17 5CNTCTS MOSTLY GT 3A,NOT IDEAL 6
HELIX 3 B11 SER B 9 GLY B 20 1CYS 67 GLY 68, 3(10) CONTACTS 12
HELIX 4 A21 GLY C 1 ILE C 10 1NOT IDEAL ALPH,SOME PI CNTCTS 10
HELIX 5 A22 SER C 12 GLU C 17 5CNTCTS MOSTLY GT 3A,NOT IDEAL 6
HELIX 6 B21 SER D 9 GLY D 20 1CYS 67,GLY 68, 3(10) CONTACTS 12
SHEET 1 B 2 PHE B 24 TYR B 26 0
SHEET 2 B 2 PHE D 24 TYR D 26 -1 N PHE B 24 O TYR D 26
SSBOND 1 CYS A 6 CYS A 11 1555 1555 2.05
SSBOND 2 CYS A 7 CYS B 7 1555 1555 1.97
SSBOND 3 CYS A 20 CYS B 19 1555 1555 2.00
SSBOND 4 CYS C 6 CYS C 11 1555 1555 2.06
SSBOND 5 CYS C 7 CYS D 7 1555 1555 2.01
SSBOND 6 CYS C 20 CYS D 19 1555 1555 2.02
LINK ZN ZN B 101 NE2 HIS B 10 1555 1555 2.11
LINK ZN ZN D 101 NE2 HIS D 10 1555 1555 2.08
LINK ZN ZN B 101 NE2 HIS B 10 1555 2555 2.10
LINK ZN ZN B 101 NE2 HIS B 10 1555 3555 2.11
LINK ZN ZN D 101 NE2 HIS D 10 1555 3555 2.08
LINK ZN ZN D 101 NE2 HIS D 10 1555 2555 2.08
LINK ZN ZN B 101 O HOH B 213 1555 1555 2.19
SITE 1 D1 5 VAL B 12 TYR B 16 PHE B 24 PHE B 25
SITE 2 D1 5 TYR B 26
SITE 1 D2 5 VAL D 12 TYR D 16 PHE D 24 PHE D 25
SITE 2 D2 5 TYR D 26
SITE 1 H1 7 LEU A 13 TYR A 14 PHE B 1 GLU B 13
SITE 2 H1 7 ALA B 14 LEU B 17 VAL B 18
SITE 1 H2 7 LEU C 13 TYR C 14 PHE D 1 GLU D 13
SITE 2 H2 7 ALA D 14 LEU D 17 VAL D 18
SITE 1 SI1 7 GLY A 1 GLU A 4 GLN A 5 CYS A 7
SITE 2 SI1 7 TYR A 19 ASN A 21 CYS B 7
SITE 1 SI2 7 GLY C 1 GLU C 4 GLN C 5 CYS C 7
SITE 2 SI2 7 TYR C 19 ASN C 21 CYS D 7
SITE 1 AC1 1 HIS B 10
SITE 1 AC2 1 HIS D 10
CRYST1 82.500 82.500 34.000 90.00 90.00 120.00 H 3 18
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.012121 0.006998 0.000000 0.00000
SCALE2 0.000000 0.013996 0.000000 0.00000
SCALE3 0.000000 0.000000 0.029412 0.00000
MTRIX1 1 -0.878620 -0.476960 0.023050 0.00000 1
MTRIX2 1 -0.477430 0.878370 -0.022860 0.00000 1
MTRIX3 1 -0.009350 -0.031090 -0.999470 0.00000 1
ATOM 1 N GLY A 1 -8.863 16.944 14.289 1.00 21.88 N
ATOM 2 CA GLY A 1 -9.929 17.026 13.244 1.00 22.85 C
ATOM 3 C GLY A 1 -10.051 15.625 12.618 1.00 43.92 C
ATOM 4 O GLY A 1 -9.782 14.728 13.407 1.00 25.22 O
ATOM 5 N ILE A 2 -10.333 15.531 11.332 1.00 26.28 N
ATOM 6 CA ILE A 2 -10.488 14.266 10.600 1.00 20.84 C
ATOM 7 C ILE A 2 -9.367 13.302 10.658 1.00 11.81 C
ATOM 8 O ILE A 2 -9.580 12.092 10.969 1.00 20.31 O
ATOM 9 CB ILE A 2 -10.883 14.493 9.095 1.00 40.00 C
ATOM 10 CG1 ILE A 2 -11.579 13.146 8.697 1.00 36.74 C
ATOM 11 CG2 ILE A 2 -9.741 14.794 8.140 1.00 23.02 C
ATOM 12 CD1 ILE A 2 -12.813 13.031 9.640 1.00 26.69 C
ATOM 13 N VAL A 3 -8.133 13.759 10.483 1.00 16.57 N
ATOM 14 CA VAL A 3 -6.966 12.901 10.576 1.00 15.75 C
ATOM 15 C VAL A 3 -6.892 12.161 11.922 1.00 22.09 C
ATOM 16 O VAL A 3 -6.547 10.990 12.037 1.00 24.52 O
ATOM 17 CB VAL A 3 -5.697 13.708 10.225 1.00 21.34 C
ATOM 18 CG1 VAL A 3 -4.382 12.960 10.448 1.00 32.48 C
ATOM 19 CG2 VAL A 3 -5.842 14.209 8.777 1.00 26.35 C
ATOM 20 N GLU A 4 -7.043 13.019 12.935 1.00 16.58 N
ATOM 21 CA GLU A 4 -6.889 12.474 14.295 1.00 15.32 C
ATOM 22 C GLU A 4 -8.004 11.558 14.610 1.00 16.88 C
ATOM 23 O GLU A 4 -7.888 10.474 15.128 1.00 23.30 O
ATOM 24 CB GLU A 4 -6.809 13.691 15.266 1.00 17.11 C
ATOM 25 CG GLU A 4 -5.615 14.565 14.951 1.00 21.45 C
ATOM 26 CD GLU A 4 -5.704 15.457 13.735 1.00 21.59 C
ATOM 27 OE1 GLU A 4 -6.757 15.959 13.377 1.00 23.43 O
ATOM 28 OE2 GLU A 4 -4.568 15.569 13.179 1.00 25.36 O
ATOM 29 N GLN A 5 -9.199 12.048 14.356 1.00 15.69 N
ATOM 30 CA GLN A 5 -10.407 11.299 14.630 1.00 12.38 C
ATOM 31 C GLN A 5 -10.431 9.940 13.980 1.00 19.86 C
ATOM 32 O GLN A 5 -10.815 8.931 14.542 1.00 16.83 O
ATOM 33 CB GLN A 5 -11.594 12.130 14.152 1.00 21.13 C
ATOM 34 CG GLN A 5 -12.860 11.374 14.561 1.00 22.06 C
ATOM 35 CD GLN A 5 -13.946 11.901 13.634 1.00 42.02 C
ATOM 36 OE1 GLN A 5 -13.908 13.027 13.169 1.00 55.10 O
ATOM 37 NE2 GLN A 5 -14.943 11.030 13.351 1.00 27.27 N
ATOM 38 N CYS A 6 -10.033 9.815 12.695 1.00 13.19 N
ATOM 39 CA CYS A 6 -10.050 8.518 12.065 1.00 12.63 C
ATOM 40 C CYS A 6 -9.105 7.520 12.667 1.00 9.95 C
ATOM 41 O CYS A 6 -9.395 6.288 12.666 1.00 14.22 O
ATOM 42 CB CYS A 6 -9.660 8.673 10.559 1.00 12.54 C
ATOM 43 SG CYS A 6 -10.925 9.459 9.579 1.00 13.00 S
ATOM 44 N CYS A 7 -8.018 7.992 13.171 1.00 10.84 N
ATOM 45 CA CYS A 7 -6.964 7.186 13.808 1.00 17.02 C
ATOM 46 C CYS A 7 -7.236 6.948 15.358 1.00 13.71 C
ATOM 47 O CYS A 7 -7.061 5.782 15.768 1.00 19.28 O
ATOM 48 CB CYS A 7 -5.578 7.826 13.656 1.00 20.24 C
ATOM 49 SG CYS A 7 -4.181 6.819 14.134 1.00 13.80 S
ATOM 50 N THR A 8 -7.655 7.937 16.058 1.00 12.57 N
ATOM 51 CA THR A 8 -7.862 7.732 17.520 1.00 19.99 C
ATOM 52 C THR A 8 -9.143 6.997 17.870 1.00 26.34 C
ATOM 53 O THR A 8 -9.189 6.157 18.795 1.00 25.43 O
ATOM 54 CB THR A 8 -7.728 9.055 18.386 1.00 20.77 C
ATOM 55 OG1 THR A 8 -8.889 9.918 18.117 1.00 26.76 O
ATOM 56 CG2 THR A 8 -6.334 9.700 18.196 1.00 26.50 C
ATOM 57 N SER A 9 -10.170 7.350 17.058 1.00 20.01 N
ATOM 58 CA SER A 9 -11.509 6.803 17.121 1.00 16.88 C
ATOM 59 C SER A 9 -11.796 5.981 15.856 1.00 12.70 C
ATOM 60 O SER A 9 -11.139 5.010 15.473 1.00 17.60 O
ATOM 61 CB SER A 9 -12.331 8.067 17.439 1.00 19.52 C
ATOM 62 OG SER A 9 -13.674 7.774 17.650 1.00 32.34 O
ATOM 63 N ILE A 10 -12.883 6.382 15.159 1.00 15.34 N
ATOM 64 CA ILE A 10 -13.350 5.723 13.932 1.00 20.23 C
ATOM 65 C ILE A 10 -13.969 6.902 13.106 1.00 17.50 C
ATOM 66 O ILE A 10 -14.355 7.922 13.623 1.00 16.60 O
ATOM 67 CB ILE A 10 -14.366 4.524 14.047 1.00 19.39 C
ATOM 68 CG1 ILE A 10 -15.702 4.874 14.742 1.00 22.05 C
ATOM 69 CG2 ILE A 10 -13.711 3.300 14.723 1.00 23.30 C
ATOM 70 CD1 ILE A 10 -16.702 3.722 15.005 1.00 42.11 C
ATOM 71 N CYS A 11 -14.080 6.685 11.767 1.00 12.14 N
ATOM 72 CA CYS A 11 -14.665 7.679 10.880 1.00 11.24 C
ATOM 73 C CYS A 11 -15.301 6.881 9.766 1.00 12.17 C
ATOM 74 O CYS A 11 -14.962 5.692 9.528 1.00 21.14 O
ATOM 75 CB CYS A 11 -13.695 8.702 10.417 1.00 13.03 C
ATOM 76 SG CYS A 11 -12.375 8.019 9.385 1.00 13.60 S
ATOM 77 N SER A 12 -16.233 7.557 9.095 1.00 11.37 N
ATOM 78 CA SER A 12 -16.999 6.978 8.005 1.00 9.91 C
ATOM 79 C SER A 12 -16.563 7.644 6.726 1.00 7.40 C
ATOM 80 O SER A 12 -15.967 8.753 6.711 1.00 9.67 O
ATOM 81 CB SER A 12 -18.516 7.183 8.084 1.00 16.64 C
ATOM 82 OG SER A 12 -18.869 8.543 7.881 1.00 17.14 O
ATOM 83 N LEU A 13 -16.852 6.914 5.612 1.00 11.35 N
ATOM 84 CA LEU A 13 -16.530 7.444 4.259 1.00 11.35 C
ATOM 85 C LEU A 13 -17.317 8.715 4.030 1.00 12.55 C
ATOM 86 O LEU A 13 -16.835 9.521 3.226 1.00 11.78 O
ATOM 87 CB LEU A 13 -16.774 6.348 3.232 1.00 11.66 C
ATOM 88 CG LEU A 13 -15.940 5.046 3.316 1.00 18.12 C
ATOM 89 CD1 LEU A 13 -16.050 4.197 2.018 1.00 18.76 C
ATOM 90 CD2 LEU A 13 -14.471 5.320 3.537 1.00 17.26 C
ATOM 91 N TYR A 14 -18.491 8.790 4.629 1.00 10.84 N
ATOM 92 CA TYR A 14 -19.282 10.035 4.368 1.00 10.75 C
ATOM 93 C TYR A 14 -18.639 11.228 4.963 1.00 12.81 C
ATOM 94 O TYR A 14 -18.706 12.298 4.341 1.00 15.11 O
ATOM 95 CB TYR A 14 -20.746 9.900 4.799 1.00 12.90 C
ATOM 96 CG TYR A 14 -21.463 8.764 4.079 1.00 18.23 C
ATOM 97 CD1 TYR A 14 -22.110 9.123 2.891 1.00 18.95 C
ATOM 98 CD2 TYR A 14 -21.461 7.440 4.475 1.00 15.42 C
ATOM 99 CE1 TYR A 14 -22.767 8.167 2.086 1.00 18.15 C
ATOM 100 CE2 TYR A 14 -22.118 6.436 3.676 1.00 14.31 C
ATOM 101 CZ TYR A 14 -22.738 6.856 2.556 1.00 15.47 C
ATOM 102 OH TYR A 14 -23.436 5.926 1.716 1.00 24.86 O
ATOM 103 N GLN A 15 -17.945 11.100 6.091 1.00 9.63 N
ATOM 104 CA GLN A 15 -17.178 12.138 6.774 1.00 9.40 C
ATOM 105 C GLN A 15 -16.012 12.543 5.900 1.00 10.52 C
ATOM 106 O GLN A 15 -15.611 13.717 5.722 1.00 14.25 O
ATOM 107 CB GLN A 15 -16.774 11.841 8.205 1.00 13.89 C
ATOM 108 CG GLN A 15 -17.894 11.668 9.206 1.00 17.53 C
ATOM 109 CD GLN A 15 -17.524 11.056 10.515 1.00 28.21 C
ATOM 110 OE1 GLN A 15 -16.865 10.027 10.598 1.00 20.14 O
ATOM 111 NE2 GLN A 15 -17.994 11.650 11.624 1.00 30.25 N
ATOM 112 N LEU A 16 -15.352 11.525 5.325 1.00 12.99 N
ATOM 113 CA LEU A 16 -14.185 11.826 4.470 1.00 11.19 C
ATOM 114 C LEU A 16 -14.605 12.634 3.249 1.00 15.54 C
ATOM 115 O LEU A 16 -13.767 13.398 2.745 1.00 16.01 O
ATOM 116 CB LEU A 16 -13.588 10.521 4.060 1.00 12.67 C
ATOM 117 CG LEU A 16 -12.954 9.717 5.182 1.00 13.07 C
ATOM 118 CD1 LEU A 16 -12.115 8.571 4.602 1.00 16.61 C
ATOM 119 CD2 LEU A 16 -12.041 10.559 6.028 1.00 16.50 C
ATOM 120 N GLU A 17 -15.779 12.420 2.759 1.00 17.50 N
ATOM 121 CA GLU A 17 -16.223 13.179 1.589 1.00 17.72 C
ATOM 122 C GLU A 17 -16.171 14.693 1.811 1.00 19.21 C
ATOM 123 O GLU A 17 -16.118 15.466 0.803 1.00 18.48 O
ATOM 124 CB GLU A 17 -17.645 12.862 1.215 1.00 17.38 C
ATOM 125 CG GLU A 17 -17.885 11.629 0.360 1.00 27.97 C
ATOM 126 CD GLU A 17 -19.225 11.667 -0.391 1.00 26.70 C
ATOM 127 OE1 GLU A 17 -20.201 11.466 0.276 1.00 29.93 O
ATOM 128 OE2 GLU A 17 -19.127 11.873 -1.643 1.00 34.66 O
ATOM 129 N ASN A 18 -16.094 15.074 3.104 1.00 15.10 N
ATOM 130 CA ASN A 18 -16.029 16.534 3.332 1.00 18.85 C
ATOM 131 C ASN A 18 -14.703 17.131 2.954 1.00 18.46 C
ATOM 132 O ASN A 18 -14.545 18.377 2.834 1.00 19.68 O
ATOM 133 CB ASN A 18 -16.489 16.934 4.738 1.00 20.66 C
ATOM 134 CG ASN A 18 -17.868 16.338 5.142 1.00 29.79 C
ATOM 135 OD1 ASN A 18 -18.813 16.053 4.382 1.00 34.48 O
ATOM 136 ND2 ASN A 18 -17.991 16.168 6.452 1.00 36.00 N
ATOM 137 N TYR A 19 -13.697 16.327 2.738 1.00 15.68 N
ATOM 138 CA TYR A 19 -12.358 16.724 2.380 1.00 14.19 C
ATOM 139 C TYR A 19 -12.154 16.695 0.899 1.00 13.20 C
ATOM 140 O TYR A 19 -11.010 17.038 0.480 1.00 16.12 O
ATOM 141 CB TYR A 19 -11.364 15.840 3.178 1.00 14.35 C
ATOM 142 CG TYR A 19 -11.586 16.223 4.634 1.00 21.24 C
ATOM 143 CD1 TYR A 19 -10.853 17.300 5.129 1.00 26.61 C
ATOM 144 CD2 TYR A 19 -12.562 15.703 5.445 1.00 19.21 C
ATOM 145 CE1 TYR A 19 -11.084 17.801 6.393 1.00 27.80 C
ATOM 146 CE2 TYR A 19 -12.833 16.207 6.714 1.00 23.98 C
ATOM 147 CZ TYR A 19 -12.081 17.267 7.187 1.00 34.08 C
ATOM 148 OH TYR A 19 -12.227 17.849 8.400 1.00 37.96 O
ATOM 149 N CYS A 20 -13.057 16.313 0.077 1.00 13.05 N
ATOM 150 CA CYS A 20 -12.838 16.309 -1.389 1.00 18.69 C
ATOM 151 C CYS A 20 -12.984 17.799 -1.802 1.00 19.09 C
ATOM 152 O CYS A 20 -13.588 18.579 -1.084 1.00 19.31 O
ATOM 153 CB CYS A 20 -13.850 15.490 -2.157 1.00 15.99 C
ATOM 154 SG CYS A 20 -13.923 13.761 -1.584 1.00 12.90 S
ATOM 155 N ASN A 21 -12.380 18.063 -2.909 1.00 17.63 N
ATOM 156 CA ASN A 21 -12.404 19.399 -3.608 1.00 25.23 C
ATOM 157 C ASN A 21 -13.642 19.696 -4.447 1.00 34.82 C
ATOM 158 O ASN A 21 -14.146 18.703 -4.956 1.00 31.24 O
ATOM 159 CB ASN A 21 -11.228 19.392 -4.521 1.00 19.06 C
ATOM 160 CG ASN A 21 -10.020 20.283 -4.456 1.00 40.71 C
ATOM 161 OD1 ASN A 21 -10.067 21.380 -5.083 1.00 68.22 O
ATOM 162 ND2 ASN A 21 -9.004 19.667 -3.808 1.00 39.69 N
ATOM 163 OXT ASN A 21 -13.881 20.890 -4.604 1.00 41.83 O
TER 164 ASN A 21
ATOM 165 N PHE B 1 -21.768 1.132 3.577 1.00 25.87 N
ATOM 166 CA PHE B 1 -20.374 1.368 4.053 1.00 24.30 C
ATOM 167 C PHE B 1 -20.341 1.145 5.585 1.00 39.74 C
ATOM 168 O PHE B 1 -21.423 1.141 6.173 1.00 38.10 O
ATOM 169 CB PHE B 1 -19.806 2.718 3.624 1.00 22.51 C
ATOM 170 CG PHE B 1 -19.924 2.916 2.131 1.00 16.52 C
ATOM 171 CD1 PHE B 1 -20.067 4.204 1.618 1.00 35.58 C
ATOM 172 CD2 PHE B 1 -19.709 1.873 1.262 1.00 20.86 C
ATOM 173 CE1 PHE B 1 -20.093 4.444 0.243 1.00 52.66 C
ATOM 174 CE2 PHE B 1 -19.824 2.067 -0.123 1.00 51.46 C
ATOM 175 CZ PHE B 1 -20.011 3.332 -0.631 1.00 42.63 C
ATOM 176 N VAL B 2 -19.104 0.899 6.027 1.00 21.12 N
ATOM 177 CA VAL B 2 -18.754 0.598 7.406 1.00 36.74 C
ATOM 178 C VAL B 2 -17.780 1.656 7.965 1.00 23.52 C
ATOM 179 O VAL B 2 -17.104 2.328 7.197 1.00 19.56 O
ATOM 180 CB VAL B 2 -18.048 -0.765 7.638 1.00 30.58 C
ATOM 181 CG1 VAL B 2 -18.993 -1.953 7.609 1.00 25.73 C
ATOM 182 CG2 VAL B 2 -16.776 -0.916 6.799 1.00 22.31 C
ATOM 183 N ASN B 3 -17.741 1.753 9.278 1.00 13.38 N
ATOM 184 CA ASN B 3 -16.872 2.691 9.950 1.00 13.94 C
ATOM 185 C ASN B 3 -15.457 2.100 9.881 1.00 15.03 C
ATOM 186 O ASN B 3 -15.312 0.857 9.926 1.00 24.85 O
ATOM 187 CB ASN B 3 -17.272 3.010 11.382 1.00 25.01 C
ATOM 188 CG ASN B 3 -18.513 3.844 11.511 1.00 49.04 C
ATOM 189 OD1 ASN B 3 -18.658 4.774 10.724 1.00 34.50 O
ATOM 190 ND2 ASN B 3 -19.333 3.415 12.473 1.00 35.00 N
ATOM 191 N GLN B 4 -14.509 3.031 9.767 1.00 12.52 N
ATOM 192 CA GLN B 4 -13.137 2.542 9.571 1.00 22.69 C
ATOM 193 C GLN B 4 -12.213 3.224 10.580 1.00 13.29 C
ATOM 194 O GLN B 4 -12.347 4.333 11.118 1.00 20.53 O
ATOM 195 CB GLN B 4 -12.666 2.760 8.116 1.00 39.18 C
ATOM 196 CG AGLN B 4 -13.007 1.731 7.035 0.60 11.45 C
ATOM 197 CG BGLN B 4 -12.978 1.763 6.996 0.40 37.30 C
ATOM 198 CD AGLN B 4 -12.270 0.520 6.830 0.60 12.42 C
ATOM 199 CD BGLN B 4 -14.070 2.781 6.746 0.40 32.97 C
ATOM 200 OE1AGLN B 4 -12.812 -0.612 6.494 0.60 17.67 O
ATOM 201 OE1BGLN B 4 -14.059 3.957 7.112 0.40 40.00 O
ATOM 202 NE2AGLN B 4 -10.898 0.624 6.949 0.60 28.94 N
ATOM 203 NE2BGLN B 4 -15.108 2.179 6.165 0.40 35.67 N
ATOM 204 N HIS B 5 -11.158 2.442 10.837 1.00 13.02 N
ATOM 205 CA HIS B 5 -10.083 3.000 11.779 1.00 17.05 C
ATOM 206 C HIS B 5 -8.855 3.149 10.899 1.00 10.95 C
ATOM 207 O HIS B 5 -8.284 2.166 10.380 1.00 17.14 O
ATOM 208 CB HIS B 5 -9.982 1.956 12.877 1.00 22.24 C
ATOM 209 CG HIS B 5 -8.934 2.400 13.860 1.00 25.74 C
ATOM 210 ND1 HIS B 5 -8.072 1.535 14.436 1.00 35.32 N
ATOM 211 CD2 HIS B 5 -8.637 3.596 14.329 1.00 28.02 C
ATOM 212 CE1 HIS B 5 -7.275 2.240 15.211 1.00 28.73 C
ATOM 213 NE2 HIS B 5 -7.571 3.509 15.150 1.00 30.21 N
ATOM 214 N LEU B 6 -8.529 4.400 10.604 1.00 11.30 N
ATOM 215 CA LEU B 6 -7.468 4.709 9.611 1.00 11.13 C
ATOM 216 C LEU B 6 -6.399 5.604 10.158 1.00 11.03 C
ATOM 217 O LEU B 6 -6.695 6.779 10.484 1.00 13.66 O
ATOM 218 CB LEU B 6 -8.231 5.398 8.411 1.00 14.13 C
ATOM 219 CG LEU B 6 -9.251 4.634 7.563 1.00 13.39 C
ATOM 220 CD1 LEU B 6 -10.017 5.598 6.671 1.00 14.70 C
ATOM 221 CD2 LEU B 6 -8.620 3.517 6.767 1.00 18.25 C
ATOM 222 N CYS B 7 -5.180 5.069 10.115 1.00 10.06 N
ATOM 223 CA CYS B 7 -4.058 5.835 10.569 1.00 10.70 C
ATOM 224 C CYS B 7 -3.033 5.982 9.484 1.00 13.26 C
ATOM 225 O CYS B 7 -2.955 5.198 8.573 1.00 19.10 O
ATOM 226 CB CYS B 7 -3.434 5.105 11.762 1.00 15.88 C
ATOM 227 SG CYS B 7 -4.523 5.099 13.246 1.00 16.40 S
ATOM 228 N GLY B 8 -2.181 6.993 9.540 1.00 12.37 N
ATOM 229 CA GLY B 8 -1.070 7.261 8.632 1.00 12.72 C
ATOM 230 C GLY B 8 -1.465 7.317 7.204 1.00 13.24 C
ATOM 231 O GLY B 8 -2.470 7.884 6.744 1.00 11.92 O
ATOM 232 N SER B 9 -0.609 6.582 6.429 1.00 11.74 N
ATOM 233 CA SER B 9 -0.863 6.544 4.980 1.00 15.89 C
ATOM 234 C SER B 9 -2.183 5.870 4.578 1.00 9.73 C
ATOM 235 O SER B 9 -2.649 6.111 3.528 1.00 10.43 O
ATOM 236 CB SER B 9 0.309 5.921 4.206 1.00 17.74 C
ATOM 237 OG SER B 9 0.534 4.626 4.735 1.00 17.37 O
ATOM 238 N HIS B 10 -2.721 5.100 5.451 1.00 10.19 N
ATOM 239 CA HIS B 10 -3.940 4.379 5.188 1.00 7.66 C
ATOM 240 C HIS B 10 -5.081 5.431 5.075 1.00 10.17 C
ATOM 241 O HIS B 10 -6.021 5.163 4.291 1.00 10.92 O
ATOM 242 CB HIS B 10 -4.234 3.316 6.228 1.00 9.55 C
ATOM 243 CG HIS B 10 -3.192 2.269 6.364 1.00 9.55 C
ATOM 244 ND1 HIS B 10 -3.043 1.310 5.423 1.00 15.86 N
ATOM 245 CD2 HIS B 10 -2.289 1.991 7.311 1.00 8.47 C
ATOM 246 CE1 HIS B 10 -2.078 0.573 5.774 1.00 10.65 C
ATOM 247 NE2 HIS B 10 -1.589 0.939 6.878 1.00 9.41 N
ATOM 248 N LEU B 11 -5.016 6.497 5.810 1.00 8.93 N
ATOM 249 CA LEU B 11 -6.071 7.518 5.617 1.00 9.64 C
ATOM 250 C LEU B 11 -5.967 8.182 4.279 1.00 7.89 C
ATOM 251 O LEU B 11 -6.969 8.462 3.666 1.00 9.74 O
ATOM 252 CB LEU B 11 -5.860 8.541 6.740 1.00 6.93 C
ATOM 253 CG LEU B 11 -6.949 9.607 6.783 1.00 14.50 C
ATOM 254 CD1 LEU B 11 -8.376 9.229 6.627 1.00 18.34 C
ATOM 255 CD2 LEU B 11 -6.742 10.309 8.115 1.00 20.70 C
ATOM 256 N VAL B 12 -4.751 8.449 3.799 1.00 10.12 N
ATOM 257 CA VAL B 12 -4.579 9.057 2.495 1.00 8.05 C
ATOM 258 C VAL B 12 -5.050 8.131 1.372 1.00 8.14 C
ATOM 259 O VAL B 12 -5.595 8.653 0.398 1.00 11.63 O
ATOM 260 CB VAL B 12 -3.153 9.538 2.230 1.00 11.54 C
ATOM 261 CG1AVAL B 12 -2.822 9.786 0.799 0.50 4.68 C
ATOM 262 CG1BVAL B 12 -2.809 10.670 3.148 0.50 17.75 C
ATOM 263 CG2AVAL B 12 -2.809 10.670 3.148 0.50 17.75 C
ATOM 264 CG2BVAL B 12 -1.963 8.655 2.123 0.50 10.87 C
ATOM 265 N GLU B 13 -4.906 6.880 1.502 1.00 6.12 N
ATOM 266 CA GLU B 13 -5.432 5.946 0.542 1.00 8.88 C
ATOM 267 C GLU B 13 -6.966 6.014 0.472 1.00 12.22 C
ATOM 268 O GLU B 13 -7.578 6.035 -0.614 1.00 11.15 O
ATOM 269 CB GLU B 13 -4.996 4.506 0.854 1.00 12.65 C
ATOM 270 CG GLU B 13 -3.497 4.444 0.582 1.00 15.60 C
ATOM 271 CD GLU B 13 -3.246 3.857 -0.794 1.00 53.85 C
ATOM 272 OE1 GLU B 13 -4.238 3.643 -1.500 1.00 33.68 O
ATOM 273 OE2 GLU B 13 -2.114 3.611 -1.126 1.00 47.24 O
ATOM 274 N ALA B 14 -7.659 6.004 1.637 1.00 7.15 N
ATOM 275 CA ALA B 14 -9.061 6.164 1.719 1.00 7.29 C
ATOM 276 C ALA B 14 -9.563 7.482 1.051 1.00 6.80 C
ATOM 277 O ALA B 14 -10.595 7.468 0.346 1.00 11.10 O
ATOM 278 CB ALA B 14 -9.604 6.039 3.106 1.00 12.06 C
ATOM 279 N LEU B 15 -8.876 8.580 1.321 1.00 6.72 N
ATOM 280 CA LEU B 15 -9.224 9.854 0.717 1.00 13.51 C
ATOM 281 C LEU B 15 -9.111 9.815 -0.829 1.00 14.62 C
ATOM 282 O LEU B 15 -9.956 10.390 -1.496 1.00 12.32 O
ATOM 283 CB LEU B 15 -8.317 10.981 1.327 1.00 9.71 C
ATOM 284 CG LEU B 15 -8.755 11.581 2.649 1.00 8.92 C
ATOM 285 CD1 LEU B 15 -7.682 12.475 3.236 1.00 14.49 C
ATOM 286 CD2 LEU B 15 -10.096 12.235 2.460 1.00 12.03 C
ATOM 287 N TYR B 16 -8.050 9.147 -1.297 1.00 8.65 N
ATOM 288 CA TYR B 16 -7.838 8.961 -2.686 1.00 8.75 C
ATOM 289 C TYR B 16 -8.999 8.175 -3.284 1.00 11.14 C
ATOM 290 O TYR B 16 -9.508 8.504 -4.371 1.00 14.34 O
ATOM 291 CB TYR B 16 -6.494 8.247 -3.047 1.00 7.72 C
ATOM 292 CG TYR B 16 -6.271 8.027 -4.522 1.00 10.81 C
ATOM 293 CD1 TYR B 16 -6.450 6.784 -5.047 1.00 17.09 C
ATOM 294 CD2 TYR B 16 -6.009 9.104 -5.338 1.00 12.64 C
ATOM 295 CE1 TYR B 16 -6.354 6.581 -6.467 1.00 17.76 C
ATOM 296 CE2 TYR B 16 -5.898 8.958 -6.741 1.00 13.94 C
ATOM 297 CZ TYR B 16 -6.110 7.692 -7.259 1.00 17.34 C
ATOM 298 OH TYR B 16 -5.925 7.520 -8.594 1.00 25.34 O
ATOM 299 N LEU B 17 -9.428 7.109 -2.664 1.00 8.68 N
ATOM 300 CA LEU B 17 -10.566 6.290 -3.167 1.00 8.83 C
ATOM 301 C LEU B 17 -11.861 7.087 -3.142 1.00 10.95 C
ATOM 302 O LEU B 17 -12.650 7.046 -4.073 1.00 15.67 O
ATOM 303 CB LEU B 17 -10.665 5.052 -2.327 1.00 10.82 C
ATOM 304 CG LEU B 17 -9.594 4.104 -2.924 1.00 28.76 C
ATOM 305 CD1 LEU B 17 -9.136 3.067 -1.933 1.00 30.52 C
ATOM 306 CD2 LEU B 17 -10.280 3.540 -4.157 1.00 34.91 C
ATOM 307 N VAL B 18 -12.123 7.786 -2.036 1.00 8.85 N
ATOM 308 CA VAL B 18 -13.351 8.545 -1.933 1.00 8.77 C
ATOM 309 C VAL B 18 -13.433 9.713 -2.873 1.00 9.77 C
ATOM 310 O VAL B 18 -14.472 9.937 -3.457 1.00 16.86 O
ATOM 311 CB VAL B 18 -13.604 8.974 -0.463 1.00 14.39 C
ATOM 312 CG1 VAL B 18 -14.784 9.899 -0.282 1.00 11.72 C
ATOM 313 CG2 VAL B 18 -13.862 7.763 0.393 1.00 12.58 C
ATOM 314 N CYS B 19 -12.422 10.518 -2.958 1.00 9.03 N
ATOM 315 CA CYS B 19 -12.433 11.758 -3.756 1.00 8.88 C
ATOM 316 C CYS B 19 -11.994 11.555 -5.212 1.00 14.69 C
ATOM 317 O CYS B 19 -12.410 12.303 -6.126 1.00 16.46 O
ATOM 318 CB CYS B 19 -11.558 12.719 -3.005 1.00 11.19 C
ATOM 319 SG CYS B 19 -12.040 13.127 -1.344 1.00 10.10 S
ATOM 320 N GLY B 20 -11.149 10.609 -5.463 1.00 17.12 N
ATOM 321 CA GLY B 20 -10.685 10.359 -6.851 1.00 21.59 C
ATOM 322 C GLY B 20 -10.275 11.650 -7.524 1.00 21.38 C
ATOM 323 O GLY B 20 -9.494 12.483 -7.053 1.00 20.41 O
ATOM 324 N GLU B 21 -10.784 11.844 -8.710 1.00 29.76 N
ATOM 325 CA GLU B 21 -10.398 13.043 -9.501 1.00 24.44 C
ATOM 326 C GLU B 21 -10.898 14.356 -9.065 1.00 19.21 C
ATOM 327 O GLU B 21 -10.430 15.331 -9.665 1.00 19.00 O
ATOM 328 CB GLU B 21 -10.776 12.724 -10.968 1.00 28.66 C
ATOM 329 CG AGLU B 21 -12.310 12.519 -11.045 0.50 56.11 C
ATOM 330 CG BGLU B 21 -9.804 13.415 -11.966 0.50 75.35 C
ATOM 331 CD AGLU B 21 -12.707 11.349 -11.901 0.50 62.47 C
ATOM 332 CD BGLU B 21 -9.689 13.292 -13.466 0.50 52.68 C
ATOM 333 OE1AGLU B 21 -12.515 10.193 -11.564 0.50 48.34 O
ATOM 334 OE1BGLU B 21 -10.540 12.768 -14.159 0.50 50.28 O
ATOM 335 OE2AGLU B 21 -13.225 11.772 -12.958 0.50 49.92 O
ATOM 336 OE2BGLU B 21 -8.505 13.537 -13.781 0.50 27.33 O
ATOM 337 N ARG B 22 -11.703 14.491 -8.034 1.00 15.49 N
ATOM 338 CA ARG B 22 -12.089 15.732 -7.456 1.00 16.44 C
ATOM 339 C ARG B 22 -10.797 16.222 -6.745 1.00 17.70 C
ATOM 340 O ARG B 22 -10.636 17.458 -6.608 1.00 21.36 O
ATOM 341 CB ARG B 22 -13.234 15.678 -6.464 1.00 21.99 C
ATOM 342 CG ARG B 22 -14.645 15.427 -7.037 1.00 57.89 C
ATOM 343 CD ARG B 22 -15.675 15.167 -5.960 1.00 31.23 C
ATOM 344 NE AARG B 22 -15.739 16.404 -5.124 0.50 16.46 N
ATOM 345 NE BARG B 22 -15.629 13.808 -5.271 0.50 17.69 N
ATOM 346 CZ AARG B 22 -16.608 16.581 -4.143 0.50 39.57 C
ATOM 347 CZ BARG B 22 -16.379 13.225 -4.283 0.50 33.09 C
ATOM 348 NH1AARG B 22 -16.743 17.672 -3.416 0.50 20.14 N
ATOM 349 NH1BARG B 22 -16.987 14.046 -3.392 0.50 51.50 N
ATOM 350 NH2AARG B 22 -17.405 15.551 -3.871 0.50 35.40 N
ATOM 351 NH2BARG B 22 -16.705 11.943 -4.184 0.50 19.59 N
ATOM 352 N GLY B 23 -10.007 15.246 -6.287 1.00 19.18 N
ATOM 353 CA GLY B 23 -8.844 15.673 -5.491 1.00 11.89 C
ATOM 354 C GLY B 23 -9.339 15.932 -4.075 1.00 12.83 C
ATOM 355 O GLY B 23 -10.524 15.922 -3.626 1.00 14.47 O
ATOM 356 N PHE B 24 -8.343 16.165 -3.187 1.00 12.54 N
ATOM 357 CA PHE B 24 -8.584 16.432 -1.765 1.00 10.08 C
ATOM 358 C PHE B 24 -7.488 17.220 -1.123 1.00 10.77 C
ATOM 359 O PHE B 24 -6.411 17.409 -1.657 1.00 10.93 O
ATOM 360 CB PHE B 24 -8.754 15.111 -1.032 1.00 3.80 C
ATOM 361 CG PHE B 24 -7.638 14.114 -1.034 1.00 5.98 C
ATOM 362 CD1 PHE B 24 -7.488 13.202 -2.069 1.00 5.61 C
ATOM 363 CD2 PHE B 24 -6.667 14.205 -0.036 1.00 8.93 C
ATOM 364 CE1 PHE B 24 -6.375 12.338 -2.106 1.00 14.64 C
ATOM 365 CE2 PHE B 24 -5.573 13.387 0.027 1.00 11.74 C
ATOM 366 CZ PHE B 24 -5.457 12.470 -1.008 1.00 9.78 C
ATOM 367 N PHE B 25 -7.717 17.612 0.116 1.00 14.20 N
ATOM 368 CA PHE B 25 -6.813 18.302 1.052 1.00 12.03 C
ATOM 369 C PHE B 25 -6.569 17.356 2.221 1.00 12.69 C
ATOM 370 O PHE B 25 -7.485 16.788 2.757 1.00 15.22 O
ATOM 371 CB PHE B 25 -7.387 19.633 1.684 1.00 17.25 C
ATOM 372 CG PHE B 25 -7.105 20.689 0.637 1.00 30.38 C
ATOM 373 CD1 PHE B 25 -7.842 20.802 -0.543 1.00 61.20 C
ATOM 374 CD2 PHE B 25 -6.003 21.541 0.896 1.00 56.90 C
ATOM 375 CE1 PHE B 25 -7.445 21.790 -1.461 1.00 29.52 C
ATOM 376 CE2 PHE B 25 -5.648 22.564 -0.027 1.00 40.31 C
ATOM 377 CZ PHE B 25 -6.382 22.681 -1.235 1.00 30.38 C
ATOM 378 N TYR B 26 -5.345 17.202 2.583 1.00 11.25 N
ATOM 379 CA TYR B 26 -4.996 16.333 3.717 1.00 10.42 C
ATOM 380 C TYR B 26 -4.445 17.350 4.714 1.00 15.08 C
ATOM 381 O TYR B 26 -3.350 17.906 4.518 1.00 14.52 O
ATOM 382 CB TYR B 26 -3.949 15.288 3.319 1.00 9.51 C
ATOM 383 CG TYR B 26 -3.404 14.530 4.474 1.00 12.61 C
ATOM 384 CD1 TYR B 26 -4.243 13.688 5.178 1.00 20.50 C
ATOM 385 CD2 TYR B 26 -2.105 14.676 4.857 1.00 13.88 C
ATOM 386 CE1 TYR B 26 -3.652 12.967 6.246 1.00 16.38 C
ATOM 387 CE2 TYR B 26 -1.577 14.010 5.941 1.00 10.97 C
ATOM 388 CZ TYR B 26 -2.347 13.149 6.642 1.00 11.71 C
ATOM 389 OH TYR B 26 -1.853 12.447 7.734 1.00 16.39 O
ATOM 390 N THR B 27 -5.287 17.537 5.752 1.00 15.47 N
ATOM 391 CA THR B 27 -4.902 18.555 6.772 1.00 20.05 C
ATOM 392 C THR B 27 -4.834 18.053 8.250 1.00 15.09 C
ATOM 393 O THR B 27 -5.825 18.282 8.943 1.00 22.56 O
ATOM 394 CB THR B 27 -5.856 19.825 6.753 1.00 26.34 C
ATOM 395 OG1ATHR B 27 -7.228 19.328 6.558 0.50 39.91 O
ATOM 396 OG1BTHR B 27 -5.691 20.478 5.511 0.50 29.43 O
ATOM 397 CG2ATHR B 27 -5.505 20.781 5.606 0.50 34.53 C
ATOM 398 CG2BTHR B 27 -5.413 20.850 7.858 0.50 34.13 C
ATOM 399 N PRO B 28 -3.702 17.548 8.603 1.00 18.26 N
ATOM 400 CA PRO B 28 -3.494 17.055 9.954 1.00 21.56 C
ATOM 401 C PRO B 28 -3.306 18.220 10.892 1.00 22.68 C
ATOM 402 O PRO B 28 -3.072 19.330 10.484 1.00 21.93 O
ATOM 403 CB PRO B 28 -2.249 16.209 9.808 1.00 21.60 C
ATOM 404 CG PRO B 28 -1.544 16.617 8.595 1.00 21.39 C
ATOM 405 CD PRO B 28 -2.526 17.320 7.778 1.00 14.32 C
ATOM 406 N LYS B 29 -3.452 17.975 12.175 1.00 26.27 N
ATOM 407 CA LYS B 29 -3.227 18.941 13.307 1.00 23.17 C
ATOM 408 C LYS B 29 -1.707 18.995 13.459 1.00 52.81 C
ATOM 409 O LYS B 29 -1.026 17.919 13.406 1.00 39.37 O
ATOM 410 CB LYS B 29 -3.764 18.417 14.615 1.00 22.26 C
ATOM 411 CG LYS B 29 -3.990 19.385 15.801 1.00 48.01 C
ATOM 412 CD LYS B 29 -5.153 18.811 16.622 1.00 37.36 C
ATOM 413 CE LYS B 29 -5.067 18.493 18.087 1.00 53.09 C
ATOM 414 NZ LYS B 29 -4.208 19.418 18.841 1.00 61.16 N
ATOM 415 N ALA B 30 -1.166 20.052 13.779 1.00 53.30 N
ATOM 416 CA ALA B 30 0.148 20.539 13.902 1.00 45.30 C
ATOM 417 C ALA B 30 0.991 20.467 15.167 1.00 50.30 C
ATOM 418 O ALA B 30 0.427 20.710 16.268 1.00 62.63 O
ATOM 419 CB ALA B 30 0.033 22.113 13.690 1.00 53.30 C
ATOM 420 OXT ALA B 30 2.226 20.205 15.000 1.00 76.30 O
TER 421 ALA B 30
ATOM 422 N GLY C 1 -0.643 19.956 -14.073 1.00 26.16 N
ATOM 423 CA GLY C 1 -0.389 20.033 -12.615 1.00 30.96 C
ATOM 424 C GLY C 1 0.447 18.825 -12.180 1.00 33.76 C
ATOM 425 O GLY C 1 1.216 18.311 -13.006 1.00 21.35 O
ATOM 426 N ILE C 2 0.244 18.434 -10.942 1.00 23.96 N
ATOM 427 CA ILE C 2 1.003 17.290 -10.393 1.00 15.36 C
ATOM 428 C ILE C 2 0.946 16.025 -11.185 1.00 13.59 C
ATOM 429 O ILE C 2 1.971 15.359 -11.278 1.00 17.19 O
ATOM 430 CB ILE C 2 0.491 17.013 -8.931 1.00 16.47 C
ATOM 431 CG1 ILE C 2 1.539 16.143 -8.164 1.00 15.91 C
ATOM 432 CG2 ILE C 2 -0.969 16.533 -8.863 1.00 17.06 C
ATOM 433 CD1 ILE C 2 1.081 15.828 -6.720 1.00 19.56 C
ATOM 434 N VAL C 3 -0.179 15.655 -11.786 1.00 13.55 N
ATOM 435 CA VAL C 3 -0.278 14.455 -12.591 1.00 17.58 C
ATOM 436 C VAL C 3 0.590 14.454 -13.881 1.00 21.18 C
ATOM 437 O VAL C 3 1.245 13.451 -14.197 1.00 19.26 O
ATOM 438 CB VAL C 3 -1.709 14.136 -12.915 1.00 26.49 C
ATOM 439 CG1 VAL C 3 -1.808 12.868 -13.745 1.00 30.71 C
ATOM 440 CG2 VAL C 3 -2.567 13.989 -11.662 1.00 16.85 C
ATOM 441 N GLU C 4 0.621 15.590 -14.497 1.00 24.23 N
ATOM 442 CA GLU C 4 1.481 15.743 -15.686 1.00 23.06 C
ATOM 443 C GLU C 4 2.966 15.744 -15.343 1.00 19.78 C
ATOM 444 O GLU C 4 3.805 15.198 -16.061 1.00 29.30 O
ATOM 445 CB GLU C 4 1.063 17.059 -16.361 1.00 24.43 C
ATOM 446 CG GLU C 4 -0.349 16.900 -16.964 1.00 19.87 C
ATOM 447 CD GLU C 4 -1.541 17.024 -16.030 1.00 27.93 C
ATOM 448 OE1 GLU C 4 -2.429 16.169 -16.211 1.00 37.08 O
ATOM 449 OE2 GLU C 4 -1.527 17.967 -15.181 1.00 27.92 O
ATOM 450 N GLN C 5 3.289 16.386 -14.236 1.00 17.90 N
ATOM 451 CA GLN C 5 4.695 16.445 -13.800 1.00 17.90 C
ATOM 452 C GLN C 5 5.206 15.104 -13.307 1.00 23.62 C
ATOM 453 O GLN C 5 6.331 14.684 -13.578 1.00 26.25 O
ATOM 454 CB GLN C 5 4.820 17.553 -12.780 1.00 22.64 C
ATOM 455 CG GLN C 5 4.373 18.969 -13.199 1.00 32.56 C
ATOM 456 CD GLN C 5 5.405 19.755 -12.404 1.00 59.85 C
ATOM 457 OE1 GLN C 5 6.478 19.979 -12.947 1.00 50.22 O
ATOM 458 NE2 GLN C 5 4.976 19.940 -11.148 1.00 56.46 N
ATOM 459 N CYS C 6 4.386 14.408 -12.514 1.00 20.45 N
ATOM 460 CA CYS C 6 4.949 13.166 -11.921 1.00 20.95 C
ATOM 461 C CYS C 6 4.472 11.875 -12.436 1.00 18.67 C
ATOM 462 O CYS C 6 5.127 10.851 -12.293 1.00 17.98 O
ATOM 463 CB CYS C 6 4.732 13.264 -10.354 1.00 16.76 C
ATOM 464 SG CYS C 6 5.416 14.719 -9.509 1.00 20.00 S
ATOM 465 N CYS C 7 3.347 11.802 -13.063 1.00 15.93 N
ATOM 466 CA CYS C 7 2.858 10.515 -13.612 1.00 10.31 C
ATOM 467 C CYS C 7 3.090 10.422 -15.112 1.00 27.34 C
ATOM 468 O CYS C 7 3.601 9.455 -15.603 1.00 24.77 O
ATOM 469 CB CYS C 7 1.348 10.332 -13.329 1.00 17.60 C
ATOM 470 SG CYS C 7 0.602 8.899 -13.976 1.00 19.30 S
ATOM 471 N THR C 8 2.691 11.395 -15.898 1.00 22.31 N
ATOM 472 CA THR C 8 2.912 11.356 -17.382 1.00 20.22 C
ATOM 473 C THR C 8 4.408 11.508 -17.641 1.00 29.24 C
ATOM 474 O THR C 8 5.051 10.716 -18.357 1.00 25.27 O
ATOM 475 CB THR C 8 1.993 12.487 -17.997 1.00 28.76 C
ATOM 476 OG1 THR C 8 0.590 12.071 -17.868 1.00 41.93 O
ATOM 477 CG2 THR C 8 2.536 12.795 -19.370 1.00 39.10 C
ATOM 478 N SER C 9 4.957 12.549 -16.969 1.00 23.04 N
ATOM 479 CA SER C 9 6.438 12.783 -17.031 1.00 23.81 C
ATOM 480 C SER C 9 7.038 12.104 -15.796 1.00 22.97 C
ATOM 481 O SER C 9 6.505 11.080 -15.351 1.00 28.36 O
ATOM 482 CB SER C 9 6.838 14.249 -17.258 1.00 22.96 C
ATOM 483 OG SER C 9 8.266 14.523 -17.319 1.00 30.96 O
ATOM 484 N ILE C 10 8.157 12.532 -15.274 1.00 18.48 N
ATOM 485 CA ILE C 10 8.820 12.068 -14.116 1.00 14.18 C
ATOM 486 C ILE C 10 9.162 13.268 -13.217 1.00 22.06 C
ATOM 487 O ILE C 10 9.398 14.336 -13.807 1.00 21.37 O
ATOM 488 CB ILE C 10 10.082 11.219 -14.296 1.00 14.27 C
ATOM 489 CG1 ILE C 10 11.168 12.058 -14.941 1.00 17.05 C
ATOM 490 CG2 ILE C 10 9.771 9.901 -15.075 1.00 23.12 C
ATOM 491 CD1 ILE C 10 12.447 11.250 -15.181 1.00 28.86 C
ATOM 492 N CYS C 11 9.158 13.001 -11.897 1.00 17.73 N
ATOM 493 CA CYS C 11 9.488 14.178 -11.063 1.00 13.63 C
ATOM 494 C CYS C 11 10.301 13.733 -9.869 1.00 24.12 C
ATOM 495 O CYS C 11 10.238 12.518 -9.595 1.00 27.63 O
ATOM 496 CB CYS C 11 8.284 14.934 -10.501 1.00 24.47 C
ATOM 497 SG CYS C 11 7.324 13.971 -9.301 1.00 22.60 S
ATOM 498 N SER C 12 10.941 14.682 -9.241 1.00 20.64 N
ATOM 499 CA SER C 12 11.739 14.434 -8.095 1.00 19.89 C
ATOM 500 C SER C 12 10.978 14.612 -6.784 1.00 26.49 C
ATOM 501 O SER C 12 9.925 15.241 -6.843 1.00 17.94 O
ATOM 502 CB SER C 12 12.896 15.478 -7.911 1.00 22.13 C
ATOM 503 OG SER C 12 12.280 16.737 -7.889 1.00 25.55 O
ATOM 504 N LEU C 13 11.522 14.165 -5.654 1.00 20.92 N
ATOM 505 CA LEU C 13 10.827 14.392 -4.422 1.00 18.59 C
ATOM 506 C LEU C 13 10.811 15.860 -4.099 1.00 17.62 C
ATOM 507 O LEU C 13 9.865 16.311 -3.427 1.00 17.56 O
ATOM 508 CB LEU C 13 11.451 13.616 -3.261 1.00 24.54 C
ATOM 509 CG LEU C 13 11.620 12.137 -3.475 1.00 37.60 C
ATOM 510 CD1 LEU C 13 12.386 11.586 -2.273 1.00 42.94 C
ATOM 511 CD2 LEU C 13 10.209 11.562 -3.628 1.00 33.13 C
ATOM 512 N TYR C 14 11.756 16.642 -4.538 1.00 19.39 N
ATOM 513 CA TYR C 14 11.756 18.053 -4.253 1.00 15.81 C
ATOM 514 C TYR C 14 10.632 18.665 -4.977 1.00 16.49 C
ATOM 515 O TYR C 14 10.098 19.673 -4.517 1.00 24.31 O
ATOM 516 CB TYR C 14 13.061 18.792 -4.698 1.00 23.42 C
ATOM 517 CG TYR C 14 14.244 18.334 -3.884 1.00 22.68 C
ATOM 518 CD1 TYR C 14 14.406 18.926 -2.643 1.00 37.43 C
ATOM 519 CD2 TYR C 14 15.065 17.294 -4.321 1.00 44.52 C
ATOM 520 CE1 TYR C 14 15.469 18.455 -1.806 1.00 35.18 C
ATOM 521 CE2 TYR C 14 16.138 16.837 -3.558 1.00 39.13 C
ATOM 522 CZ TYR C 14 16.305 17.440 -2.304 1.00 43.24 C
ATOM 523 OH TYR C 14 17.325 17.067 -1.472 1.00 40.09 O
ATOM 524 N GLN C 15 10.286 18.189 -6.156 1.00 16.44 N
ATOM 525 CA GLN C 15 9.175 18.706 -6.908 1.00 13.87 C
ATOM 526 C GLN C 15 7.940 18.402 -6.108 1.00 16.45 C
ATOM 527 O GLN C 15 7.042 19.228 -6.047 1.00 17.74 O
ATOM 528 CB GLN C 15 9.021 18.202 -8.378 1.00 19.83 C
ATOM 529 CG GLN C 15 10.045 18.695 -9.368 1.00 27.50 C
ATOM 530 CD GLN C 15 10.002 18.165 -10.771 1.00 46.46 C
ATOM 531 OE1 GLN C 15 10.459 17.057 -11.040 1.00 43.32 O
ATOM 532 NE2 GLN C 15 9.456 18.889 -11.761 1.00 35.38 N
ATOM 533 N LEU C 16 7.841 17.245 -5.491 1.00 18.47 N
ATOM 534 CA LEU C 16 6.580 16.984 -4.783 1.00 17.18 C
ATOM 535 C LEU C 16 6.311 17.904 -3.587 1.00 21.36 C
ATOM 536 O LEU C 16 5.195 18.069 -3.079 1.00 17.34 O
ATOM 537 CB LEU C 16 6.542 15.527 -4.227 1.00 17.15 C
ATOM 538 CG LEU C 16 6.500 14.520 -5.341 1.00 17.53 C
ATOM 539 CD1 LEU C 16 6.477 13.227 -4.593 1.00 22.82 C
ATOM 540 CD2 LEU C 16 5.117 14.493 -5.991 1.00 18.33 C
ATOM 541 N GLU C 17 7.389 18.427 -3.040 1.00 16.47 N
ATOM 542 CA GLU C 17 7.353 19.319 -1.959 1.00 10.93 C
ATOM 543 C GLU C 17 6.614 20.601 -2.282 1.00 11.20 C
ATOM 544 O GLU C 17 6.183 21.310 -1.386 1.00 13.69 O
ATOM 545 CB GLU C 17 8.751 19.800 -1.584 1.00 16.99 C
ATOM 546 CG GLU C 17 9.178 18.980 -0.408 1.00 22.69 C
ATOM 547 CD GLU C 17 10.397 19.524 0.269 1.00 26.38 C
ATOM 548 OE1 GLU C 17 11.270 20.013 -0.342 1.00 26.42 O
ATOM 549 OE2 GLU C 17 10.358 19.291 1.470 1.00 30.68 O
ATOM 550 N ASN C 18 6.466 20.844 -3.575 1.00 13.42 N
ATOM 551 CA ASN C 18 5.707 22.010 -4.006 1.00 12.91 C
ATOM 552 C ASN C 18 4.238 21.879 -3.683 1.00 14.96 C
ATOM 553 O ASN C 18 3.506 22.887 -3.698 1.00 17.72 O
ATOM 554 CB ASN C 18 5.894 22.279 -5.506 1.00 16.62 C
ATOM 555 CG ASN C 18 7.286 22.755 -5.884 1.00 20.64 C
ATOM 556 OD1 ASN C 18 7.761 22.375 -6.927 1.00 28.41 O
ATOM 557 ND2 ASN C 18 7.836 23.540 -4.999 1.00 26.53 N
ATOM 558 N TYR C 19 3.683 20.717 -3.420 1.00 10.42 N
ATOM 559 CA TYR C 19 2.315 20.489 -3.110 1.00 11.44 C
ATOM 560 C TYR C 19 2.035 20.284 -1.641 1.00 19.22 C
ATOM 561 O TYR C 19 0.884 20.008 -1.330 1.00 14.52 O
ATOM 562 CB TYR C 19 1.745 19.342 -3.938 1.00 13.89 C
ATOM 563 CG TYR C 19 1.995 19.579 -5.394 1.00 13.15 C
ATOM 564 CD1 TYR C 19 1.176 20.360 -6.185 1.00 15.85 C
ATOM 565 CD2 TYR C 19 3.101 19.022 -6.004 1.00 20.18 C
ATOM 566 CE1 TYR C 19 1.482 20.590 -7.526 1.00 15.80 C
ATOM 567 CE2 TYR C 19 3.427 19.257 -7.342 1.00 20.94 C
ATOM 568 CZ TYR C 19 2.600 20.077 -8.111 1.00 16.07 C
ATOM 569 OH TYR C 19 2.930 20.198 -9.438 1.00 28.20 O
ATOM 570 N CYS C 20 2.997 20.523 -0.779 1.00 15.85 N
ATOM 571 CA CYS C 20 2.816 20.515 0.660 1.00 12.75 C
ATOM 572 C CYS C 20 2.167 21.848 1.080 1.00 18.29 C
ATOM 573 O CYS C 20 2.424 22.842 0.449 1.00 26.63 O
ATOM 574 CB CYS C 20 4.116 20.329 1.465 1.00 12.02 C
ATOM 575 SG CYS C 20 5.109 18.925 1.079 1.00 13.70 S
ATOM 576 N ASN C 21 1.396 21.899 2.168 1.00 17.14 N
ATOM 577 CA ASN C 21 0.814 23.152 2.677 1.00 22.18 C
ATOM 578 C ASN C 21 1.879 23.650 3.681 1.00 31.46 C
ATOM 579 O ASN C 21 2.937 22.991 3.836 1.00 44.77 O
ATOM 580 CB ASN C 21 -0.433 22.757 3.387 1.00 21.67 C
ATOM 581 CG ASN C 21 -1.636 22.166 2.742 1.00 29.17 C
ATOM 582 OD1 ASN C 21 -2.062 22.468 1.647 1.00 33.63 O
ATOM 583 ND2 ASN C 21 -2.242 21.277 3.591 1.00 33.21 N
ATOM 584 OXT ASN C 21 1.575 24.585 4.398 1.00 52.38 O
TER 585 ASN C 21
ATOM 586 N PHE D 1 18.330 11.816 -3.893 1.00 61.50 N
ATOM 587 CA PHE D 1 17.047 11.272 -4.371 1.00 28.75 C
ATOM 588 C PHE D 1 17.165 10.885 -5.854 1.00 45.77 C
ATOM 589 O PHE D 1 18.169 11.137 -6.550 1.00 49.85 O
ATOM 590 CB PHE D 1 15.801 12.158 -4.041 1.00 30.01 C
ATOM 591 CG PHE D 1 16.035 12.424 -2.571 1.00 31.74 C
ATOM 592 CD1 PHE D 1 15.980 11.294 -1.745 1.00 39.79 C
ATOM 593 CD2 PHE D 1 16.425 13.629 -2.070 1.00 31.26 C
ATOM 594 CE1 PHE D 1 16.219 11.375 -0.405 1.00 31.66 C
ATOM 595 CE2 PHE D 1 16.706 13.719 -0.715 1.00 53.74 C
ATOM 596 CZ PHE D 1 16.609 12.612 0.115 1.00 37.15 C
ATOM 597 N VAL D 2 16.117 10.168 -6.274 1.00 33.71 N
ATOM 598 CA VAL D 2 16.006 9.666 -7.682 1.00 24.16 C
ATOM 599 C VAL D 2 14.648 10.218 -8.239 1.00 33.79 C
ATOM 600 O VAL D 2 13.733 10.588 -7.495 1.00 22.26 O
ATOM 601 CB VAL D 2 16.128 8.144 -7.911 1.00 27.80 C
ATOM 602 CG1 VAL D 2 17.529 7.562 -7.875 1.00 85.81 C
ATOM 603 CG2 VAL D 2 15.239 7.326 -6.976 1.00 36.43 C
ATOM 604 N ASN D 3 14.564 10.315 -9.558 1.00 19.91 N
ATOM 605 CA ASN D 3 13.383 10.694 -10.332 1.00 33.51 C
ATOM 606 C ASN D 3 12.449 9.525 -10.618 1.00 27.19 C
ATOM 607 O ASN D 3 12.946 8.479 -11.058 1.00 35.28 O
ATOM 608 CB ASN D 3 13.966 11.427 -11.571 1.00 28.03 C
ATOM 609 CG ASN D 3 14.214 12.869 -11.102 1.00 36.72 C
ATOM 610 OD1 ASN D 3 14.425 13.813 -11.829 1.00 71.83 O
ATOM 611 ND2 ASN D 3 14.114 13.118 -9.791 1.00 69.95 N
ATOM 612 N GLN D 4 11.128 9.652 -10.488 1.00 38.71 N
ATOM 613 CA GLN D 4 10.224 8.523 -10.782 1.00 30.37 C
ATOM 614 C GLN D 4 8.833 8.864 -11.345 1.00 13.92 C
ATOM 615 O GLN D 4 8.361 10.028 -11.197 1.00 25.56 O
ATOM 616 CB GLN D 4 9.983 7.921 -9.378 1.00 38.84 C
ATOM 617 CG GLN D 4 10.350 6.429 -9.194 1.00 40.71 C
ATOM 618 CD GLN D 4 10.515 6.248 -7.678 1.00 31.29 C
ATOM 619 OE1 GLN D 4 10.490 5.138 -7.268 1.00 47.62 O
ATOM 620 NE2 GLN D 4 10.697 7.383 -6.997 1.00 30.17 N
ATOM 621 N HIS D 5 8.291 7.803 -12.000 1.00 13.87 N
ATOM 622 CA HIS D 5 6.903 7.919 -12.482 1.00 16.22 C
ATOM 623 C HIS D 5 6.029 7.528 -11.252 1.00 16.61 C
ATOM 624 O HIS D 5 6.115 6.355 -10.822 1.00 21.77 O
ATOM 625 CB HIS D 5 6.427 7.086 -13.663 1.00 24.93 C
ATOM 626 CG HIS D 5 6.855 7.450 -15.054 1.00 32.91 C
ATOM 627 ND1 HIS D 5 6.285 8.338 -15.876 1.00 31.86 N
ATOM 628 CD2 HIS D 5 7.867 6.966 -15.822 1.00 31.55 C
ATOM 629 CE1 HIS D 5 6.866 8.458 -17.068 1.00 28.50 C
ATOM 630 NE2 HIS D 5 7.838 7.587 -17.015 1.00 18.29 N
ATOM 631 N LEU D 6 5.259 8.452 -10.792 1.00 11.23 N
ATOM 632 CA LEU D 6 4.302 8.232 -9.639 1.00 22.97 C
ATOM 633 C LEU D 6 2.854 8.566 -10.048 1.00 11.62 C
ATOM 634 O LEU D 6 2.505 9.705 -10.335 1.00 14.32 O
ATOM 635 CB LEU D 6 4.815 9.069 -8.489 1.00 16.96 C
ATOM 636 CG LEU D 6 6.253 8.828 -7.985 1.00 18.92 C
ATOM 637 CD1 LEU D 6 6.828 10.000 -7.271 1.00 17.11 C
ATOM 638 CD2 LEU D 6 6.091 7.594 -7.091 1.00 18.40 C
ATOM 639 N CYS D 7 2.119 7.495 -10.108 1.00 13.70 N
ATOM 640 CA CYS D 7 0.745 7.570 -10.582 1.00 18.64 C
ATOM 641 C CYS D 7 -0.288 7.058 -9.564 1.00 17.90 C
ATOM 642 O CYS D 7 0.016 6.138 -8.853 1.00 18.63 O
ATOM 643 CB CYS D 7 0.607 6.723 -11.869 1.00 31.44 C
ATOM 644 SG CYS D 7 1.635 7.350 -13.232 1.00 20.00 S
ATOM 645 N GLY D 8 -1.440 7.618 -9.644 1.00 19.94 N
ATOM 646 CA GLY D 8 -2.580 7.155 -8.776 1.00 18.12 C
ATOM 647 C GLY D 8 -2.305 7.237 -7.329 1.00 8.63 C
ATOM 648 O GLY D 8 -1.914 8.246 -6.763 1.00 13.74 O
ATOM 649 N SER D 9 -2.656 6.101 -6.694 1.00 11.65 N
ATOM 650 CA SER D 9 -2.483 5.997 -5.227 1.00 12.39 C
ATOM 651 C SER D 9 -1.032 6.120 -4.867 1.00 8.86 C
ATOM 652 O SER D 9 -0.760 6.584 -3.762 1.00 9.84 O
ATOM 653 CB SER D 9 -3.264 4.870 -4.568 1.00 14.54 C
ATOM 654 OG SER D 9 -2.756 3.670 -5.015 1.00 21.40 O
ATOM 655 N HIS D 10 -0.166 5.698 -5.800 1.00 8.91 N
ATOM 656 CA HIS D 10 1.270 5.805 -5.452 1.00 9.09 C
ATOM 657 C HIS D 10 1.755 7.227 -5.317 1.00 7.69 C
ATOM 658 O HIS D 10 2.658 7.481 -4.533 1.00 11.42 O
ATOM 659 CB HIS D 10 2.092 5.048 -6.482 1.00 8.95 C
ATOM 660 CG HIS D 10 1.707 3.599 -6.615 1.00 8.78 C
ATOM 661 ND1 HIS D 10 1.951 2.701 -5.608 1.00 13.99 N
ATOM 662 CD2 HIS D 10 1.059 2.922 -7.561 1.00 11.16 C
ATOM 663 CE1 HIS D 10 1.536 1.530 -6.025 1.00 8.79 C
ATOM 664 NE2 HIS D 10 0.948 1.628 -7.159 1.00 11.60 N
ATOM 665 N LEU D 11 1.142 8.109 -6.070 1.00 9.45 N
ATOM 666 CA LEU D 11 1.434 9.541 -6.053 1.00 9.98 C
ATOM 667 C LEU D 11 1.027 10.155 -4.729 1.00 5.91 C
ATOM 668 O LEU D 11 1.818 10.853 -4.084 1.00 8.83 O
ATOM 669 CB LEU D 11 0.815 10.196 -7.249 1.00 10.51 C
ATOM 670 CG LEU D 11 1.105 11.705 -7.294 1.00 13.37 C
ATOM 671 CD1 LEU D 11 2.526 12.118 -7.270 1.00 11.72 C
ATOM 672 CD2 LEU D 11 0.404 12.225 -8.564 1.00 16.22 C
ATOM 673 N VAL D 12 -0.188 9.816 -4.302 1.00 6.52 N
ATOM 674 CA VAL D 12 -0.534 10.395 -2.938 1.00 6.95 C
ATOM 675 C VAL D 12 0.207 9.758 -1.787 1.00 5.55 C
ATOM 676 O VAL D 12 0.467 10.475 -0.761 1.00 8.60 O
ATOM 677 CB VAL D 12 -2.065 10.355 -2.790 1.00 14.07 C
ATOM 678 CG1 VAL D 12 -2.687 11.271 -3.899 1.00 16.64 C
ATOM 679 CG2 VAL D 12 -2.636 9.010 -2.737 1.00 14.03 C
ATOM 680 N GLU D 13 0.681 8.537 -1.890 1.00 8.61 N
ATOM 681 CA GLU D 13 1.509 7.903 -0.866 1.00 7.25 C
ATOM 682 C GLU D 13 2.815 8.631 -0.804 1.00 7.02 C
ATOM 683 O GLU D 13 3.403 8.915 0.274 1.00 11.89 O
ATOM 684 CB GLU D 13 1.770 6.435 -1.051 1.00 11.84 C
ATOM 685 CG GLU D 13 0.458 5.634 -0.816 1.00 27.71 C
ATOM 686 CD GLU D 13 0.536 4.937 0.492 1.00 62.15 C
ATOM 687 OE1 GLU D 13 1.499 5.094 1.172 1.00 28.12 O
ATOM 688 OE2 GLU D 13 -0.429 4.258 0.726 1.00 32.97 O
ATOM 689 N ALA D 14 3.390 9.046 -1.888 1.00 9.58 N
ATOM 690 CA ALA D 14 4.643 9.836 -1.985 1.00 10.00 C
ATOM 691 C ALA D 14 4.495 11.218 -1.377 1.00 10.02 C
ATOM 692 O ALA D 14 5.373 11.718 -0.675 1.00 12.34 O
ATOM 693 CB ALA D 14 5.151 9.884 -3.366 1.00 9.23 C
ATOM 694 N LEU D 15 3.340 11.836 -1.609 1.00 8.93 N
ATOM 695 CA LEU D 15 3.014 13.121 -1.053 1.00 9.97 C
ATOM 696 C LEU D 15 2.968 13.020 0.450 1.00 16.23 C
ATOM 697 O LEU D 15 3.462 13.914 1.142 1.00 11.63 O
ATOM 698 CB LEU D 15 1.719 13.654 -1.641 1.00 9.29 C
ATOM 699 CG LEU D 15 1.771 14.340 -2.979 1.00 10.49 C
ATOM 700 CD1 LEU D 15 0.398 14.483 -3.556 1.00 12.99 C
ATOM 701 CD2 LEU D 15 2.487 15.663 -2.804 1.00 15.87 C
ATOM 702 N TYR D 16 2.313 11.974 0.938 1.00 11.90 N
ATOM 703 CA TYR D 16 2.254 11.791 2.374 1.00 8.84 C
ATOM 704 C TYR D 16 3.662 11.710 3.013 1.00 11.08 C
ATOM 705 O TYR D 16 3.925 12.338 4.014 1.00 10.74 O
ATOM 706 CB TYR D 16 1.409 10.545 2.657 1.00 8.68 C
ATOM 707 CG TYR D 16 1.408 10.201 4.150 1.00 9.93 C
ATOM 708 CD1 TYR D 16 0.611 10.879 5.091 1.00 13.27 C
ATOM 709 CD2 TYR D 16 2.232 9.163 4.535 1.00 10.34 C
ATOM 710 CE1 TYR D 16 0.657 10.554 6.429 1.00 11.61 C
ATOM 711 CE2 TYR D 16 2.284 8.846 5.894 1.00 17.86 C
ATOM 712 CZ TYR D 16 1.518 9.554 6.843 1.00 13.23 C
ATOM 713 OH TYR D 16 1.664 9.081 8.177 1.00 17.80 O
ATOM 714 N LEU D 17 4.478 10.910 2.349 1.00 9.51 N
ATOM 715 CA LEU D 17 5.832 10.719 2.819 1.00 8.94 C
ATOM 716 C LEU D 17 6.672 11.993 2.879 1.00 12.51 C
ATOM 717 O LEU D 17 7.395 12.298 3.853 1.00 13.68 O
ATOM 718 CB LEU D 17 6.573 9.683 1.932 1.00 12.01 C
ATOM 719 CG LEU D 17 7.784 9.141 2.606 1.00 26.75 C
ATOM 720 CD1 LEU D 17 7.274 8.084 3.613 1.00 27.77 C
ATOM 721 CD2 LEU D 17 8.533 8.579 1.435 1.00 36.25 C
ATOM 722 N VAL D 18 6.585 12.773 1.784 1.00 10.21 N
ATOM 723 CA VAL D 18 7.348 14.029 1.661 1.00 8.25 C
ATOM 724 C VAL D 18 6.789 15.099 2.514 1.00 8.01 C
ATOM 725 O VAL D 18 7.560 15.914 3.063 1.00 14.17 O
ATOM 726 CB VAL D 18 7.357 14.409 0.176 1.00 8.24 C
ATOM 727 CG1 VAL D 18 7.683 15.903 0.006 1.00 18.17 C
ATOM 728 CG2 VAL D 18 8.321 13.582 -0.638 1.00 16.22 C
ATOM 729 N CYS D 19 5.469 15.224 2.565 1.00 8.80 N
ATOM 730 CA CYS D 19 4.790 16.327 3.282 1.00 10.89 C
ATOM 731 C CYS D 19 4.550 16.076 4.760 1.00 20.41 C
ATOM 732 O CYS D 19 4.771 17.057 5.513 1.00 17.13 O
ATOM 733 CB CYS D 19 3.540 16.778 2.546 1.00 11.71 C
ATOM 734 SG CYS D 19 3.846 17.363 0.909 1.00 11.30 S
ATOM 735 N GLY D 20 4.108 14.860 5.076 1.00 15.31 N
ATOM 736 CA GLY D 20 3.841 14.553 6.475 1.00 18.10 C
ATOM 737 C GLY D 20 2.815 15.479 7.177 1.00 19.19 C
ATOM 738 O GLY D 20 1.669 15.721 6.770 1.00 18.72 O
ATOM 739 N GLU D 21 3.387 15.976 8.278 1.00 20.01 N
ATOM 740 CA GLU D 21 2.659 16.847 9.244 1.00 23.69 C
ATOM 741 C GLU D 21 2.237 18.138 8.636 1.00 19.09 C
ATOM 742 O GLU D 21 1.246 18.727 9.109 1.00 24.03 O
ATOM 743 CB GLU D 21 3.575 17.120 10.476 1.00 22.76 C
ATOM 744 CG GLU D 21 5.075 17.192 10.046 1.00 53.97 C
ATOM 745 CD GLU D 21 6.099 17.832 10.938 1.00 78.86 C
ATOM 746 OE1 GLU D 21 5.775 18.563 11.863 1.00 73.07 O
ATOM 747 OE2 GLU D 21 7.300 17.568 10.645 1.00 72.74 O
ATOM 748 N ARG D 22 2.952 18.555 7.566 1.00 15.75 N
ATOM 749 CA ARG D 22 2.552 19.835 6.996 1.00 21.02 C
ATOM 750 C ARG D 22 1.231 19.779 6.228 1.00 30.79 C
ATOM 751 O ARG D 22 0.558 20.740 5.955 1.00 22.02 O
ATOM 752 CB ARG D 22 3.613 20.247 5.973 1.00 29.63 C
ATOM 753 CG ARG D 22 5.024 20.325 6.450 1.00 16.81 C
ATOM 754 CD ARG D 22 5.952 20.706 5.309 1.00 32.57 C
ATOM 755 NE AARG D 22 5.584 21.912 4.554 0.50 23.88 N
ATOM 756 NE BARG D 22 6.663 19.518 4.827 0.50 24.77 N
ATOM 757 CZ AARG D 22 6.163 22.431 3.476 0.50 34.85 C
ATOM 758 CZ BARG D 22 7.482 19.684 3.777 0.50 11.98 C
ATOM 759 NH1AARG D 22 5.819 23.547 2.845 0.50 18.26 N
ATOM 760 NH1BARG D 22 7.547 20.848 3.124 0.50 20.33 N
ATOM 761 NH2AARG D 22 7.190 21.770 2.930 0.50 20.80 N
ATOM 762 NH2BARG D 22 8.196 18.646 3.318 0.50 20.38 N
ATOM 763 N GLY D 23 0.914 18.555 5.836 1.00 17.93 N
ATOM 764 CA GLY D 23 -0.237 18.302 4.993 1.00 12.82 C
ATOM 765 C GLY D 23 0.087 18.615 3.514 1.00 11.10 C
ATOM 766 O GLY D 23 1.137 19.102 3.198 1.00 12.49 O
ATOM 767 N PHE D 24 -0.903 18.290 2.672 1.00 11.76 N
ATOM 768 CA PHE D 24 -0.774 18.497 1.209 1.00 10.21 C
ATOM 769 C PHE D 24 -2.127 18.688 0.607 1.00 9.65 C
ATOM 770 O PHE D 24 -3.142 18.470 1.204 1.00 12.03 O
ATOM 771 CB PHE D 24 0.000 17.400 0.578 1.00 9.41 C
ATOM 772 CG PHE D 24 -0.602 16.046 0.597 1.00 9.89 C
ATOM 773 CD1 PHE D 24 -0.280 15.182 1.648 1.00 12.55 C
ATOM 774 CD2 PHE D 24 -1.497 15.657 -0.387 1.00 12.14 C
ATOM 775 CE1 PHE D 24 -0.863 13.901 1.714 1.00 19.03 C
ATOM 776 CE2 PHE D 24 -2.049 14.388 -0.368 1.00 12.53 C
ATOM 777 CZ PHE D 24 -1.737 13.486 0.692 1.00 14.23 C
ATOM 778 N PHE D 25 -2.070 19.069 -0.693 1.00 8.89 N
ATOM 779 CA PHE D 25 -3.285 19.185 -1.469 1.00 10.03 C
ATOM 780 C PHE D 25 -3.021 18.326 -2.724 1.00 9.84 C
ATOM 781 O PHE D 25 -1.918 18.362 -3.216 1.00 12.46 O
ATOM 782 CB PHE D 25 -3.686 20.613 -1.925 1.00 10.32 C
ATOM 783 CG PHE D 25 -2.567 21.455 -2.479 1.00 14.41 C
ATOM 784 CD1 PHE D 25 -2.435 21.546 -3.850 1.00 20.47 C
ATOM 785 CD2 PHE D 25 -1.647 22.070 -1.651 1.00 14.83 C
ATOM 786 CE1 PHE D 25 -1.470 22.321 -4.476 1.00 13.89 C
ATOM 787 CE2 PHE D 25 -0.608 22.775 -2.271 1.00 20.12 C
ATOM 788 CZ PHE D 25 -0.558 22.880 -3.660 1.00 13.72 C
ATOM 789 N TYR D 26 -3.962 17.546 -3.192 1.00 10.77 N
ATOM 790 CA TYR D 26 -3.915 16.723 -4.366 1.00 8.24 C
ATOM 791 C TYR D 26 -5.013 17.222 -5.272 1.00 11.68 C
ATOM 792 O TYR D 26 -6.209 17.040 -5.011 1.00 12.49 O
ATOM 793 CB TYR D 26 -4.090 15.233 -4.010 1.00 12.91 C
ATOM 794 CG TYR D 26 -4.159 14.291 -5.196 1.00 13.37 C
ATOM 795 CD1 TYR D 26 -5.379 13.599 -5.455 1.00 12.94 C
ATOM 796 CD2 TYR D 26 -3.138 14.227 -6.110 1.00 12.82 C
ATOM 797 CE1 TYR D 26 -5.491 12.770 -6.582 1.00 18.45 C
ATOM 798 CE2 TYR D 26 -3.289 13.401 -7.216 1.00 14.97 C
ATOM 799 CZ TYR D 26 -4.390 12.679 -7.390 1.00 16.87 C
ATOM 800 OH TYR D 26 -4.411 11.849 -8.508 1.00 19.99 O
ATOM 801 N THR D 27 -4.639 17.933 -6.342 1.00 10.07 N
ATOM 802 CA THR D 27 -5.563 18.555 -7.264 1.00 15.24 C
ATOM 803 C THR D 27 -5.254 18.120 -8.704 1.00 16.10 C
ATOM 804 O THR D 27 -4.545 18.821 -9.404 1.00 18.07 O
ATOM 805 CB THR D 27 -5.536 20.114 -7.048 1.00 16.40 C
ATOM 806 OG1 THR D 27 -4.178 20.585 -6.974 1.00 19.93 O
ATOM 807 CG2 THR D 27 -6.181 20.408 -5.709 1.00 16.74 C
ATOM 808 N PRO D 28 -5.766 17.035 -9.149 1.00 11.98 N
ATOM 809 CA PRO D 28 -5.571 16.537 -10.477 1.00 13.55 C
ATOM 810 C PRO D 28 -6.105 17.452 -11.585 1.00 21.64 C
ATOM 811 O PRO D 28 -5.471 17.453 -12.635 1.00 24.41 O
ATOM 812 CB PRO D 28 -6.192 15.163 -10.479 1.00 21.77 C
ATOM 813 CG PRO D 28 -6.813 14.874 -9.135 1.00 18.60 C
ATOM 814 CD PRO D 28 -6.687 16.109 -8.343 1.00 11.54 C
ATOM 815 N LYS D 29 -7.103 18.249 -11.346 1.00 18.85 N
ATOM 816 CA LYS D 29 -7.647 19.148 -12.397 1.00 21.86 C
ATOM 817 C LYS D 29 -6.782 20.313 -12.719 1.00 25.32 C
ATOM 818 O LYS D 29 -6.944 20.988 -13.739 1.00 28.67 O
ATOM 819 CB LYS D 29 -9.020 19.689 -11.971 1.00 37.73 C
ATOM 820 CG ALYS D 29 -10.118 18.678 -12.365 0.50 26.24 C
ATOM 821 CG BLYS D 29 -9.869 20.535 -12.933 0.50 51.60 C
ATOM 822 CD ALYS D 29 -11.261 18.659 -11.369 0.50 25.69 C
ATOM 823 CD BLYS D 29 -11.094 21.211 -12.318 0.50 26.73 C
ATOM 824 CE ALYS D 29 -12.315 17.615 -11.670 0.50 22.42 C
ATOM 825 CE BLYS D 29 -12.076 21.723 -13.345 0.50 41.26 C
ATOM 826 NZ ALYS D 29 -13.648 18.108 -11.182 0.50 39.07 N
ATOM 827 NZ BLYS D 29 -13.280 22.348 -12.731 0.50 38.89 N
ATOM 828 N ALA D 30 -5.874 20.552 -11.809 1.00 17.54 N
ATOM 829 CA ALA D 30 -5.022 21.709 -11.876 1.00 15.58 C
ATOM 830 C ALA D 30 -3.942 21.534 -12.910 1.00 35.26 C
ATOM 831 O ALA D 30 -3.347 20.451 -13.025 1.00 37.09 O
ATOM 832 CB ALA D 30 -4.392 21.978 -10.527 1.00 32.86 C
ATOM 833 OXT ALA D 30 -3.822 22.597 -13.538 1.00 43.22 O
TER 834 ALA D 30
HETATM 835 ZN ZN B 101 -0.002 -0.004 7.891 0.33 10.40 ZN
HETATM 836 ZN ZN D 101 0.000 0.000 -8.039 0.33 11.00 ZN
HETATM 837 O HOH A 101 -9.600 22.800 0.340 1.00 86.30 O
HETATM 838 O HOH A 102 -11.312 20.399 0.771 1.00 76.27 O
HETATM 839 O HOH A 103 -12.203 23.328 2.558 0.50 53.25 O
HETATM 840 O HOH A 104 -10.414 20.888 3.177 1.00 46.17 O
HETATM 841 O HOH A 105 -9.814 18.858 10.172 0.50 36.40 O
HETATM 842 O HOH A 106 -5.367 9.301 10.390 1.00 29.29 O
HETATM 843 O HOH A 107 -7.077 17.022 11.114 1.00 24.63 O
HETATM 844 O HOH A 108 -1.805 14.585 13.563 1.00 36.72 O
HETATM 845 O HOH A 109 -7.400 20.900 13.300 1.00 82.49 O
HETATM 846 O HOH A 110 -10.436 21.800 14.703 1.00 82.89 O
HETATM 847 O HOH A 111 -8.811 19.800 14.800 1.00 84.33 O
HETATM 848 O HOH A 112 -1.885 13.663 16.148 1.00 61.43 O
HETATM 849 O HOH A 113 -11.760 21.100 16.700 0.50 40.14 O
HETATM 850 O HOH A 114 -8.270 20.622 17.537 0.50 29.13 O
HETATM 851 O HOH A 115 -7.800 16.300 17.668 1.00 75.77 O
HETATM 852 O HOH A 116 -8.894 18.338 17.943 1.00 51.71 O
HETATM 853 O HOH A 117 -11.769 21.611 10.650 0.50 56.71 O
HETATM 854 O HOH A 118 -8.631 22.492 11.840 0.50 43.99 O
HETATM 855 O HOH A 119 -7.614 21.771 17.400 0.50 39.65 O
HETATM 856 O HOH A 120 -4.837 15.671 19.009 1.00 33.67 O
HETATM 857 O HOH A 121 -5.300 12.855 19.148 1.00 51.00 O
HETATM 858 O HOH A 122 -9.409 23.116 19.633 1.00 66.30 O
HETATM 859 O HOH A 123 -5.648 12.110 21.371 1.00 36.62 O
HETATM 860 O HOH A 124 -6.414 11.027 24.091 1.00 36.40 O
HETATM 861 O HOH A 125 -16.809 20.696 1.745 1.00 71.89 O
HETATM 862 O HOH A 126 -20.717 13.454 2.846 1.00 29.91 O
HETATM 863 O HOH A 127 -10.096 20.400 -7.963 1.00 73.01 O
HETATM 864 O HOH A 128 -16.384 20.545 4.220 1.00 62.82 O
HETATM 865 O HOH A 129 -13.362 23.086 0.118 1.00 64.26 O
HETATM 866 O HOH A 130 -8.031 12.739 18.649 0.50 27.91 O
HETATM 867 O HOH A 131 -16.226 18.618 -0.171 1.00 38.87 O
HETATM 868 O HOH B 201 -5.500 23.300 3.200 1.00 76.30 O
HETATM 869 O HOH B 202 -8.655 24.051 2.000 1.00 56.40 O
HETATM 870 O HOH B 203 -0.463 3.085 2.990 1.00 35.04 O
HETATM 871 O HOH B 204 -9.400 22.600 4.900 0.50 52.19 O
HETATM 872 O HOH B 205 -7.624 16.101 5.527 1.00 25.99 O
HETATM 873 O HOH B 206 -9.100 20.600 6.100 0.50 60.00 O
HETATM 874 O HOH B 207 -8.768 19.973 5.675 0.50 51.16 O
HETATM 875 O HOH B 208 -7.991 22.590 6.582 0.50 57.20 O
HETATM 876 O HOH B 209 -12.272 21.574 6.100 1.00 55.48 O
HETATM 877 O HOH B 210 -9.484 23.456 7.067 0.50 41.28 O
HETATM 878 O HOH B 211 -3.193 10.008 8.356 1.00 20.33 O
HETATM 879 O HOH B 212 -9.443 20.240 8.418 0.50 46.63 O
HETATM 880 O HOH B 213 -0.074 1.535 9.452 1.00 25.97 O
HETATM 881 O HOH B 214 0.475 13.399 9.000 1.00 61.33 O
HETATM 882 O HOH B 215 -8.473 18.398 9.204 0.50 34.10 O
HETATM 883 O HOH B 216 4.832 22.586 10.697 0.50 41.13 O
HETATM 884 O HOH B 217 -9.503 22.800 10.020 0.50 40.98 O
HETATM 885 O HOH B 218 3.402 22.242 10.235 0.50 38.69 O
HETATM 886 O HOH B 219 -9.990 20.281 10.186 0.50 56.19 O
HETATM 887 O HOH B 220 -6.059 22.694 11.492 1.00 61.96 O
HETATM 888 O HOH B 221 2.400 0.700 11.139 1.00 63.37 O
HETATM 889 O HOH B 222 0.589 13.731 11.296 0.50 60.20 O
HETATM 890 O HOH B 223 -0.216 11.635 11.240 0.50 52.12 O
HETATM 891 O HOH B 224 -0.023 -0.033 11.206 0.33 21.05 O
HETATM 892 O HOH B 225 -5.435 20.514 11.630 1.00 51.70 O
HETATM 893 O HOH B 226 -1.821 8.684 12.044 1.00 36.04 O
HETATM 894 O HOH B 227 4.207 21.400 12.867 0.50 42.63 O
HETATM 895 O HOH B 228 -3.059 10.929 12.998 0.50 54.91 O
HETATM 896 O HOH B 229 -2.700 22.200 12.300 1.00 69.61 O
HETATM 897 O HOH B 230 1.000 16.700 13.200 1.00 45.00 O
HETATM 898 O HOH B 231 3.947 18.704 13.926 0.50 87.22 O
HETATM 899 O HOH B 232 0.063 7.371 13.477 0.50 44.43 O
HETATM 900 O HOH B 233 4.331 21.351 15.200 1.00 48.37 O
HETATM 901 O HOH B 234 -3.119 22.865 15.776 1.00 59.24 O
HETATM 902 O HOH B 235 -5.600 22.740 16.755 0.50 60.98 O
HETATM 903 O HOH B 236 -1.700 21.227 17.206 1.00 50.32 O
HETATM 904 O HOH B 237 4.677 20.377 17.882 1.00 49.25 O
HETATM 905 O HOH B 238 -1.199 22.838 19.138 1.00 36.10 O
HETATM 906 O HOH B 239 1.686 21.194 18.890 1.00 36.62 O
HETATM 907 O HOH B 240 3.848 22.050 20.436 1.00 73.68 O
HETATM 908 O HOH B 241 -2.438 17.554 21.488 1.00 27.54 O
HETATM 909 O HOH B 242 1.801 22.097 22.791 1.00 33.66 O
HETATM 910 O HOH B 243 -8.670 18.367 -8.735 1.00 27.41 O
HETATM 911 O HOH B 244 1.208 0.917 -0.239 1.00 44.11 O
HETATM 912 O HOH B 245 0.000 0.000 2.721 0.33 78.41 O
HETATM 913 O HOH B 246 0.397 4.490 11.763 0.50 23.04 O
HETATM 914 O HOH B 247 2.938 2.622 12.785 1.00 45.76 O
HETATM 915 O HOH B 248 -8.497 11.582 -5.037 1.00 65.08 O
HETATM 916 O HOH B 249 -16.177 12.121 -3.599 0.50 17.96 O
HETATM 917 O HOH C 101 13.443 19.181 0.629 1.00 37.18 O
HETATM 918 O HOH C 102 14.910 22.149 0.107 1.00 64.34 O
HETATM 919 O HOH C 103 15.228 18.988 2.773 1.00 47.95 O
HETATM 920 O HOH C 104 -2.652 21.385 6.534 1.00 64.51 O
HETATM 921 O HOH C 105 -2.600 23.100 8.100 0.50 37.93 O
HETATM 922 O HOH C 106 6.358 23.611 -0.018 1.00 94.84 O
HETATM 923 O HOH C 107 2.469 24.709 -2.126 1.00 29.22 O
HETATM 924 O HOH D 201 1.228 4.480 7.603 1.00 34.42 O
HETATM 925 O HOH D 202 5.794 10.580 7.551 0.50 18.82 O
HETATM 926 O HOH D 203 3.540 5.186 7.514 1.00 50.94 O
HETATM 927 O HOH D 204 3.162 12.350 8.534 1.00 60.02 O
HETATM 928 O HOH D 205 5.402 7.037 8.018 1.00 76.30 O
HETATM 929 O HOH D 206 4.499 3.274 9.801 1.00 21.36 O
HETATM 930 O HOH D 207 3.575 13.150 11.256 0.50 53.19 O
HETATM 931 O HOH D 208 6.250 11.753 12.889 1.00 50.22 O
HETATM 932 O HOH D 209 4.989 14.660 13.137 1.00 52.11 O
HETATM 933 O HOH D 210 7.840 13.593 13.240 1.00 36.77 O
HETATM 934 O HOH D 211 -1.841 2.626 14.104 1.00 47.47 O
HETATM 935 O HOH D 212 -0.629 5.214 14.504 1.00 52.63 O
HETATM 936 O HOH D 213 -3.496 10.462 15.323 1.00 41.57 O
HETATM 937 O HOH D 214 -3.814 12.169 17.184 1.00 40.38 O
HETATM 938 O HOH D 215 -0.459 10.100 16.800 1.00 96.03 O
HETATM 939 O HOH D 216 -2.265 8.874 17.970 1.00 48.81 O
HETATM 940 O HOH D 217 4.304 23.913 8.300 1.00 56.36 O
HETATM 941 O HOH D 218 -3.499 9.530 21.143 1.00 58.40 O
HETATM 942 O HOH D 219 -2.158 10.172 22.900 1.00 34.73 O
HETATM 943 O HOH D 220 -12.014 22.141 -9.704 1.00 66.63 O
HETATM 944 O HOH D 221 -1.763 20.077 -8.993 1.00 21.36 O
HETATM 945 O HOH D 222 -2.718 10.300 25.150 1.00 73.39 O
HETATM 946 O HOH D 223 -1.739 18.453 -6.295 1.00 12.21 O
HETATM 947 O HOH D 224 27.252 2.224 9.433 1.00 83.01 O
HETATM 948 O HOH D 225 14.487 19.051 4.963 0.50 47.26 O
HETATM 949 O HOH D 226 15.038 21.545 5.268 1.00 55.92 O
HETATM 950 O HOH D 227 8.897 22.662 0.833 0.50 72.59 O
HETATM 951 O HOH D 228 5.430 4.632 0.353 0.50 68.27 O
HETATM 952 O HOH D 229 10.779 23.846 1.400 0.50 44.66 O
HETATM 953 O HOH D 230 3.208 6.718 2.188 1.00 44.14 O
HETATM 954 O HOH D 231 1.948 1.415 2.000 1.00 83.31 O
HETATM 955 O HOH D 232 3.289 3.437 2.898 1.00 29.40 O
HETATM 956 O HOH D 233 10.311 22.834 3.121 0.50 53.93 O
HETATM 957 O HOH D 234 10.183 24.198 3.002 0.50 47.80 O
HETATM 958 O HOH D 235 23.650 0.900 3.000 1.00 86.30 O
HETATM 959 O HOH D 236 8.256 18.783 3.330 0.50 14.13 O
HETATM 960 O HOH D 237 5.786 4.688 3.296 1.00 79.24 O
HETATM 961 O HOH D 238 12.041 23.097 3.478 0.50 31.09 O
HETATM 962 O HOH D 239 9.781 13.999 4.347 1.00 38.00 O
HETATM 963 O HOH D 240 24.800 2.000 4.680 1.00 50.76 O
HETATM 964 O HOH D 241 1.700 14.430 4.490 1.00 60.70 O
HETATM 965 O HOH D 242 4.071 5.888 5.145 1.00 60.78 O
HETATM 966 O HOH D 243 12.744 23.426 5.604 0.50 40.09 O
HETATM 967 O HOH D 244 10.354 21.084 4.829 0.50 33.95 O
HETATM 968 O HOH D 245 12.369 21.475 5.162 0.50 61.18 O
HETATM 969 O HOH D 246 13.100 13.724 6.029 1.00 21.23 O
HETATM 970 O HOH D 247 25.212 3.031 6.890 1.00 49.58 O
HETATM 971 O HOH D 248 10.600 10.100 6.800 0.50 50.00 O
HETATM 972 O HOH D 249 11.191 23.508 6.621 0.50 37.26 O
HETATM 973 O HOH D 250 14.528 16.192 7.070 1.00 51.29 O
HETATM 974 O HOH D 251 1.492 23.231 6.892 0.50 27.00 O
HETATM 975 O HOH D 252 14.502 18.882 6.980 0.50 59.76 O
HETATM 976 O HOH D 253 0.172 22.959 7.609 0.50 29.31 O
HETATM 977 O HOH D 254 10.079 20.626 8.067 0.52 33.28 O
HETATM 978 O HOH D 255 8.276 22.353 6.634 0.50 71.16 O
HETATM 979 O HOH D 256 11.200 20.200 6.480 0.50 43.34 O
HETATM 980 O HOH D 257 9.467 21.709 6.550 0.50 60.52 O
HETATM 981 O HOH D 258 12.911 19.857 7.882 0.50 41.83 O
HETATM 982 O HOH D 259 24.906 0.400 8.400 1.00 59.59 O
HETATM 983 O HOH D 260 22.962 4.308 7.971 1.00 75.46 O
HETATM 984 O HOH D 261 6.986 23.533 8.608 0.50 42.86 O
HETATM 985 O HOH D 262 7.747 22.514 8.736 0.50 51.31 O
HETATM 986 O HOH D 263 11.350 23.300 9.170 1.00 50.61 O
HETATM 987 O HOH D 264 13.640 22.500 8.400 1.00 61.09 O
HETATM 988 O HOH D 265 21.200 5.800 9.000 1.00 46.66 O
HETATM 989 O HOH D 266 -0.559 20.337 9.227 0.50 31.04 O
HETATM 990 O HOH D 267 2.956 7.356 9.255 1.00 37.48 O
HETATM 991 O HOH D 268 11.907 19.705 9.066 0.50 35.59 O
HETATM 992 O HOH D 269 16.094 16.073 9.932 1.00 48.31 O
HETATM 993 O HOH D 270 13.482 17.840 9.054 1.00 66.41 O
HETATM 994 O HOH D 271 9.900 19.400 10.176 1.00 57.45 O
HETATM 995 O HOH D 272 8.300 21.900 9.770 0.50 62.82 O
HETATM 996 O HOH D 273 5.531 14.046 9.251 1.00 53.12 O
HETATM 997 O HOH D 274 0.500 21.500 9.739 0.50 40.73 O
HETATM 998 O HOH D 275 24.500 1.839 10.261 0.50 44.08 O
HETATM 999 O HOH D 276 14.403 20.407 9.881 0.25 62.98 O
HETATM 1000 O HOH D 277 5.099 10.014 10.625 1.00 39.93 O
HETATM 1001 O HOH D 278 0.786 10.457 10.424 0.50 27.11 O
HETATM 1002 O HOH D 279 7.099 20.641 10.117 0.50 45.52 O
HETATM 1003 O HOH D 280 1.327 5.583 11.052 0.50 56.24 O
HETATM 1004 O HOH D 281 10.114 17.143 11.048 1.00 38.47 O
HETATM 1005 O HOH D 282 13.122 21.921 10.724 0.50 29.51 O
HETATM 1006 O HOH D 283 24.000 4.400 11.200 1.00 63.61 O
HETATM 1007 O HOH D 284 20.200 6.301 11.100 1.00 62.49 O
HETATM 1008 O HOH D 285 1.431 8.001 10.900 1.00 61.63 O
HETATM 1009 O HOH D 286 3.725 4.937 12.004 1.00 60.07 O
HETATM 1010 O HOH D 287 9.246 23.287 11.503 1.00 45.58 O
HETATM 1011 O HOH D 288 13.713 17.818 11.963 1.00 66.30 O
HETATM 1012 O HOH D 289 16.125 12.139 12.240 1.00 50.03 O
HETATM 1013 O HOH D 290 12.904 20.420 11.491 0.50 30.82 O
HETATM 1014 O HOH D 291 22.345 2.177 11.300 1.00 53.69 O
HETATM 1015 O HOH D 292 3.200 8.800 12.200 1.00 58.95 O
HETATM 1016 O HOH D 293 12.623 23.254 12.208 0.50 36.01 O
HETATM 1017 O HOH D 294 6.083 21.437 12.952 0.50 45.78 O
HETATM 1018 O HOH D 295 15.629 16.552 13.704 1.00 54.02 O
HETATM 1019 O HOH D 296 1.400 10.000 13.205 1.00 62.38 O
HETATM 1020 O HOH D 297 10.681 15.953 13.460 1.00 37.62 O
HETATM 1021 O HOH D 298 3.526 17.510 13.393 0.50 58.59 O
HETATM 1022 O HOH D 299 17.589 14.886 12.994 0.50 46.92 O
HETATM 1023 O HOH D 300 8.436 16.103 13.124 0.50 66.40 O
HETATM 1024 O HOH D 301 20.767 2.758 14.127 0.50 49.50 O
HETATM 1025 O HOH D 302 19.461 3.175 13.236 0.50 43.30 O
HETATM 1026 O HOH D 303 10.600 21.200 12.800 1.00 65.41 O
HETATM 1027 O HOH D 304 17.091 12.037 14.424 1.00 66.30 O
HETATM 1028 O HOH D 305 26.230 1.151 12.982 0.50 42.97 O
HETATM 1029 O HOH D 306 8.200 19.886 13.338 1.00 59.62 O
HETATM 1030 O HOH D 307 3.000 8.250 14.500 1.00 39.38 O
HETATM 1031 O HOH D 308 23.669 1.157 13.223 1.00 49.56 O
HETATM 1032 O HOH D 309 6.706 17.656 14.200 1.00 62.44 O
HETATM 1033 O HOH D 310 21.660 8.100 14.400 1.00 78.85 O
HETATM 1034 O HOH D 311 16.002 14.165 14.204 0.50 36.21 O
HETATM 1035 O HOH D 312 18.624 9.971 14.472 1.00 68.09 O
HETATM 1036 O HOH D 313 12.345 18.363 14.320 1.00 61.52 O
HETATM 1037 O HOH D 314 15.375 13.331 15.234 0.50 38.87 O
HETATM 1038 O HOH D 315 8.900 16.074 15.111 0.50 56.02 O
HETATM 1039 O HOH D 316 9.800 20.500 15.000 0.50 37.74 O
HETATM 1040 O HOH D 317 20.471 6.314 15.326 0.50 42.47 O
HETATM 1041 O HOH D 318 15.956 10.347 15.577 1.00 73.09 O
HETATM 1042 O HOH D 319 4.166 16.122 15.117 1.00 64.59 O
HETATM 1043 O HOH D 320 22.179 1.588 16.322 1.00 60.14 O
HETATM 1044 O HOH D 321 7.227 21.575 16.034 1.00 79.51 O
HETATM 1045 O HOH D 322 24.987 3.024 15.000 0.50 77.50 O
HETATM 1046 O HOH D 323 0.000 0.000 15.940 0.33 48.19 O
HETATM 1047 O HOH D 324 2.058 1.124 15.886 0.50 57.48 O
HETATM 1048 O HOH D 325 19.200 4.000 16.256 1.00 52.18 O
HETATM 1049 O HOH D 326 14.044 21.773 15.730 0.50 35.08 O
HETATM 1050 O HOH D 327 1.900 3.400 16.729 1.00 42.63 O
HETATM 1051 O HOH D 328 14.400 17.800 15.886 0.50 52.96 O
HETATM 1052 O HOH D 329 13.700 15.600 15.000 1.00 65.01 O
HETATM 1053 O HOH D 330 2.100 6.200 15.800 1.00 73.63 O
HETATM 1054 O HOH D 331 13.105 18.675 16.692 0.50 57.75 O
HETATM 1055 O HOH D 332 5.384 1.947 16.328 1.00 52.83 O
HETATM 1056 O HOH D 333 19.387 1.649 16.538 1.00 38.74 O
HETATM 1057 O HOH D 334 6.570 18.429 16.505 1.00 50.65 O
HETATM 1058 O HOH D 335 18.269 7.536 16.565 1.00 60.44 O
HETATM 1059 O HOH D 336 16.961 12.601 17.169 1.00 81.43 O
HETATM 1060 O HOH D 337 19.266 10.576 17.790 1.00 63.02 O
HETATM 1061 O HOH D 338 -2.564 5.638 17.137 1.00 48.33 O
HETATM 1062 O HOH D 339 21.336 8.539 16.849 1.00 46.39 O
HETATM 1063 O HOH D 340 11.361 23.312 16.935 1.00 56.56 O
HETATM 1064 O HOH D 341 11.482 20.115 16.180 0.50 36.42 O
HETATM 1065 O HOH D 342 10.431 19.608 16.704 0.50 61.59 O
HETATM 1066 O HOH D 343 22.701 4.882 16.533 0.50 59.04 O
HETATM 1067 O HOH D 344 -0.559 7.125 16.712 1.00 55.39 O
HETATM 1068 O HOH D 345 22.349 3.895 16.628 0.50 44.55 O
HETATM 1069 O HOH D 346 24.254 2.529 17.221 0.50 64.98 O
HETATM 1070 O HOH D 347 17.313 15.074 17.581 1.00 53.72 O
HETATM 1071 O HOH D 348 16.509 9.562 17.812 1.00 54.16 O
HETATM 1072 O HOH D 349 17.535 3.747 17.792 1.00 51.88 O
HETATM 1073 O HOH D 350 0.500 3.000 18.600 0.50 35.00 O
HETATM 1074 O HOH D 351 6.000 4.100 17.800 1.00 50.00 O
HETATM 1075 O HOH D 352 2.700 3.900 19.000 0.50 40.00 O
HETATM 1076 O HOH D 353 2.992 5.257 18.400 0.50 40.00 O
HETATM 1077 O HOH D 354 22.320 6.616 18.376 1.00 76.30 O
HETATM 1078 O HOH D 355 14.300 15.147 17.400 0.50 41.41 O
HETATM 1079 O HOH D 356 12.379 14.000 18.485 1.00 69.21 O
HETATM 1080 O HOH D 357 26.585 1.034 18.302 1.00 72.39 O
HETATM 1081 O HOH D 358 24.664 3.165 18.640 0.50 55.98 O
HETATM 1082 O HOH D 359 16.000 6.400 18.500 1.00 75.03 O
HETATM 1083 O HOH D 360 7.587 19.898 18.900 1.00 74.10 O
HETATM 1084 O HOH D 361 23.636 0.400 18.433 0.50 38.58 O
HETATM 1085 O HOH D 362 7.200 0.000 19.364 1.00 80.00 O
HETATM 1086 O HOH D 363 12.325 20.187 18.584 1.00 76.30 O
HETATM 1087 O HOH D 364 8.868 21.918 18.717 1.00 88.44 O
HETATM 1088 O HOH D 365 4.000 0.889 19.161 1.00 56.19 O
HETATM 1089 O HOH D 366 11.500 16.200 18.500 1.00 54.59 O
HETATM 1090 O HOH D 367 15.033 14.600 19.135 0.50 40.58 O
HETATM 1091 O HOH D 368 16.700 11.300 19.500 0.50 53.18 O
HETATM 1092 O HOH D 369 17.595 8.307 19.856 1.00 43.95 O
HETATM 1093 O HOH D 370 8.460 17.052 19.897 1.00 58.87 O
HETATM 1094 O HOH D 371 11.600 18.400 20.000 1.00 60.00 O
HETATM 1095 O HOH D 372 7.200 3.000 19.668 1.00 79.22 O
HETATM 1096 O HOH D 373 21.000 4.000 19.956 1.00 59.41 O
HETATM 1097 O HOH D 374 -0.800 4.800 19.700 1.00 50.00 O
HETATM 1098 O HOH D 375 13.592 4.017 20.054 1.00 43.20 O
HETATM 1099 O HOH D 376 -0.400 2.600 20.000 0.50 40.00 O
HETATM 1100 O HOH D 377 19.480 6.217 19.797 1.00 62.99 O
HETATM 1101 O HOH D 378 20.876 1.574 20.116 0.50 41.62 O
HETATM 1102 O HOH D 379 18.870 3.203 20.295 1.00 65.25 O
HETATM 1103 O HOH D 380 22.043 8.448 20.602 0.50 38.02 O
HETATM 1104 O HOH D 381 15.420 7.740 20.813 1.00 61.77 O
HETATM 1105 O HOH D 382 14.400 19.900 20.800 1.00 46.45 O
HETATM 1106 O HOH D 383 8.900 4.300 20.900 1.00 66.62 O
HETATM 1107 O HOH D 384 12.900 7.700 20.600 1.00 50.81 O
HETATM 1108 O HOH D 385 23.373 3.907 20.784 0.50 37.81 O
HETATM 1109 O HOH D 386 22.600 5.200 21.000 0.50 50.00 O
HETATM 1110 O HOH D 387 11.000 20.300 21.100 0.50 50.00 O
HETATM 1111 O HOH D 388 15.900 13.400 20.500 0.50 37.02 O
HETATM 1112 O HOH D 389 15.000 15.900 20.409 0.50 51.72 O
HETATM 1113 O HOH D 390 11.455 5.672 21.400 0.50 45.30 O
HETATM 1114 O HOH D 391 19.300 11.200 21.251 1.00 93.71 O
HETATM 1115 O HOH D 392 12.867 15.311 21.383 1.00104.59 O
HETATM 1116 O HOH D 393 16.200 18.500 20.516 0.50 57.42 O
HETATM 1117 O HOH D 394 17.900 14.200 21.400 0.50 54.11 O
HETATM 1118 O HOH D 395 2.426 2.789 21.667 0.50 37.21 O
HETATM 1119 O HOH D 396 5.591 3.514 22.644 1.00 66.58 O
HETATM 1120 O HOH D 397 21.490 9.784 21.789 0.50 37.24 O
HETATM 1121 O HOH D 398 22.459 7.099 21.906 0.50 54.11 O
HETATM 1122 O HOH D 399 23.362 5.246 22.116 0.50 53.14 O
HETATM 1123 O HOH D 400 10.026 5.995 22.154 0.50 36.85 O
HETATM 1124 O HOH D 401 16.230 16.756 22.900 1.00 51.60 O
HETATM 1125 O HOH D 402 7.950 1.500 22.400 1.00 74.32 O
HETATM 1126 O HOH D 403 0.000 0.000 22.203 0.33 26.53 O
HETATM 1127 O HOH D 404 6.000 0.331 22.809 1.00 81.99 O
HETATM 1128 O HOH D 405 2.400 1.900 22.950 0.50 53.75 O
HETATM 1129 O HOH D 406 16.826 9.360 22.915 1.00 64.50 O
HETATM 1130 O HOH D 407 10.028 0.600 22.667 1.00 50.88 O
HETATM 1131 O HOH D 408 8.566 22.210 23.275 1.00 52.52 O
HETATM 1132 O HOH D 409 19.041 7.317 22.965 1.00 45.49 O
HETATM 1133 O HOH D 410 13.154 17.896 23.121 0.50 58.99 O
HETATM 1134 O HOH D 411 25.120 2.792 23.670 1.00 49.60 O
HETATM 1135 O HOH D 412 0.848 2.630 23.300 0.50 51.96 O
HETATM 1136 O HOH D 413 12.799 4.914 23.300 1.00 45.19 O
HETATM 1137 O HOH D 414 14.100 1.511 23.000 1.00 54.91 O
HETATM 1138 O HOH D 415 18.000 5.200 23.400 0.50 40.00 O
HETATM 1139 O HOH D 416 20.460 5.246 23.195 0.50 42.74 O
HETATM 1140 O HOH D 417 18.500 13.238 23.926 0.50 60.34 O
HETATM 1141 O HOH D 418 9.469 4.007 23.263 0.50 65.39 O
HETATM 1142 O HOH D 419 3.330 4.805 23.757 1.00 24.03 O
HETATM 1143 O HOH D 420 -1.798 3.543 24.064 1.00 80.64 O
HETATM 1144 O HOH D 421 1.468 0.225 24.184 1.00 35.46 O
HETATM 1145 O HOH D 422 13.052 19.509 23.128 0.50 62.84 O
HETATM 1146 O HOH D 423 9.900 22.890 25.259 1.00 65.26 O
HETATM 1147 O HOH D 424 16.495 17.126 26.000 1.00 40.00 O
HETATM 1148 O HOH D 425 21.700 5.400 24.514 0.50 50.22 O
HETATM 1149 O HOH D 426 6.642 20.679 24.898 1.00 58.56 O
HETATM 1150 O HOH D 427 20.692 8.311 24.457 0.50 48.03 O
HETATM 1151 O HOH D 428 7.700 4.223 25.055 1.00 33.74 O
HETATM 1152 O HOH D 429 19.581 11.070 25.093 1.00 65.09 O
HETATM 1153 O HOH D 430 22.450 8.700 25.159 0.50 48.15 O
HETATM 1154 O HOH D 431 12.210 21.699 25.848 0.50 44.27 O
HETATM 1155 O HOH D 432 11.500 21.600 24.157 0.50 70.69 O
HETATM 1156 O HOH D 433 25.803 0.095 26.600 1.00 56.59 O
HETATM 1157 O HOH D 434 23.392 1.295 25.732 1.00 48.54 O
HETATM 1158 O HOH D 435 12.194 3.114 25.000 1.00 76.30 O
HETATM 1159 O HOH D 436 4.708 1.340 26.039 1.00 30.59 O
HETATM 1160 O HOH D 437 14.388 19.737 25.636 1.00 64.76 O
HETATM 1161 O HOH D 438 5.419 3.667 26.434 1.00 31.12 O
HETATM 1162 O HOH D 439 23.512 4.500 26.629 1.00 66.30 O
HETATM 1163 O HOH D 440 16.389 14.064 27.171 1.00 74.53 O
HETATM 1164 O HOH D 441 18.700 14.000 26.532 1.00 79.38 O
HETATM 1165 O HOH D 442 10.926 10.684 -7.060 1.00 44.80 O
HETATM 1166 O HOH D 443 12.500 21.800 27.254 0.50 47.63 O
HETATM 1167 O HOH D 444 27.000 1.000 28.300 1.00 70.92 O
HETATM 1168 O HOH D 445 20.879 8.934 27.397 0.50 49.09 O
HETATM 1169 O HOH D 446 5.301 3.962 28.700 0.60 31.54 O
HETATM 1170 O HOH D 447 13.794 13.317 28.059 1.00 74.41 O
HETATM 1171 O HOH D 448 6.578 4.370 28.779 0.40 28.91 O
HETATM 1172 O HOH D 449 19.254 14.024 28.832 1.00 55.11 O
HETATM 1173 O HOH D 450 14.080 9.849 -4.521 1.00 27.58 O
HETATM 1174 O HOH D 451 23.137 6.636 29.293 0.50 55.90 O
HETATM 1175 O HOH D 452 10.475 22.332 30.034 1.00 41.35 O
HETATM 1176 O HOH D 453 14.200 22.300 30.301 1.00 67.11 O
HETATM 1177 O HOH D 454 4.564 5.544 30.131 1.00 37.24 O
HETATM 1178 O HOH D 455 0.000 0.000 30.941 0.33 24.09 O
HETATM 1179 O HOH D 456 3.559 3.107 30.844 1.00 34.61 O
HETATM 1180 O HOH D 457 -1.317 2.461 30.833 1.00 27.74 O
HETATM 1181 O HOH D 458 6.900 3.468 31.640 1.00 38.60 O
HETATM 1182 O HOH D 459 1.484 2.379 31.639 1.00 81.34 O
HETATM 1183 O HOH D 460 12.200 21.561 31.604 1.00 55.36 O
HETATM 1184 O HOH D 461 -11.275 25.048 -12.333 1.00 77.73 O
HETATM 1185 O HOH D 462 11.090 22.753 33.200 1.00 96.30 O
HETATM 1186 O HOH D 463 3.296 3.651 33.200 1.00 86.30 O
CONECT 43 76
CONECT 49 227
CONECT 76 43
CONECT 154 319
CONECT 227 49
CONECT 247 835
CONECT 319 154
CONECT 464 497
CONECT 470 644
CONECT 497 464
CONECT 575 734
CONECT 644 470
CONECT 664 836
CONECT 734 575
CONECT 835 247 880
CONECT 836 664
CONECT 880 835
MASTER 466 3 2 6 2 4 14 9 1158 4 17 10
END
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