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3phv.pdb
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3phv.pdb
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HEADER HYDROLASE 04-NOV-91 3PHV
TITLE X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION
TITLE 2 CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UNLIGANDED HIV-1 PROTEASE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R;
SOURCE 3 ORGANISM_TAXID: 11706;
SOURCE 4 CELL_LINE: S2;
SOURCE 5 ORGAN: LEAVES;
SOURCE 6 GENE: POL;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_GENE: POL
KEYWDS HYDROLASE, ASPARTIC PROTEINASE
EXPDTA X-RAY DIFFRACTION
AUTHOR R.LAPATTO,T.L.BLUNDELL,A.HEMMINGS,A.WILDERSPIN,S.P.WOOD,D.E.DANLEY,
AUTHOR 2 K.F.GEOGHEGAN,S.J.HAWRYLIK,P.M.HOBART
REVDAT 6 29-NOV-17 3PHV 1 HELIX
REVDAT 5 29-FEB-12 3PHV 1 JRNL HEADER
REVDAT 4 13-JUL-11 3PHV 1 VERSN
REVDAT 3 24-FEB-09 3PHV 1 VERSN
REVDAT 2 01-APR-03 3PHV 1 JRNL
REVDAT 1 15-JAN-92 3PHV 0
JRNL AUTH R.LAPATTO,T.BLUNDELL,A.HEMMINGS,J.OVERINGTON,A.WILDERSPIN,
JRNL AUTH 2 S.WOOD,J.R.MERSON,P.J.WHITTLE,D.E.DANLEY,K.F.GEOGHEGAN,
JRNL AUTH 3 S.J.HAWRYLIK,S.E.LEE,K.G.SCHELD,P.M.HOBART
JRNL TITL X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 A RESOLUTION
JRNL TITL 2 CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES.
JRNL REF NATURE V. 342 299 1989
JRNL REFN ISSN 0028-0836
JRNL PMID 2682266
JRNL DOI 10.1038/342299A0
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH B.M.MCKEEVER,M.A.NAVIA,P.M.D.FITZGERALD,J.P.SPRINGER,
REMARK 1 AUTH 2 C.-T.LEU,J.C.HEIMBACH,W.K.HERBER,I.S.SIGAL,P.L.DARKE
REMARK 1 TITL CRYSTALLIZATION OF THE ASPARTYL PROTEASE FROM THE HUMAN
REMARK 1 TITL 2 IMMUNODEFICIENCY VIRUS, HIV-1
REMARK 1 REF J.BIOL.CHEM. V. 264 1919 1989
REMARK 1 REFN ISSN 0021-9258
REMARK 2
REMARK 2 RESOLUTION. 2.70 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 2370
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 SET) : 0.191
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 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 758
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 0
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 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.017
REMARK 3 BOND ANGLES (DEGREES) : NULL
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : 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 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3PHV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000179107.
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 (%): 60.66
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.13
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z+1/2
REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4
REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4
REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4
REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,-Z+1/2
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 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 53.56000
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 25.12000
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 25.12000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.78000
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 25.12000
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 25.12000
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 80.34000
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 25.12000
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 25.12000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 26.78000
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 25.12000
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 25.12000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 80.34000
REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 53.56000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
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 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,PQS
REMARK 350 TOTAL BURIED SURFACE AREA: 2980 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 10330 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 0.000000 -1.000000 0.000000 50.24000
REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 50.24000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 53.56000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 ND2 ASN A 98 ND2 ASN A 98 8665 1.67
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 PRO A 9 C - N - CD ANGL. DEV. = -14.4 DEGREES
REMARK 500 LYS A 14 N - CA - CB ANGL. DEV. = 15.2 DEGREES
REMARK 500 VAL A 32 CA - CB - CG2 ANGL. DEV. = 10.3 DEGREES
REMARK 500 MET A 36 CG - SD - CE ANGL. DEV. = 12.3 DEGREES
REMARK 500 MET A 46 CG - SD - CE ANGL. DEV. = 12.0 DEGREES
REMARK 500 VAL A 56 CA - CB - CG2 ANGL. DEV. = 10.2 DEGREES
REMARK 500 ASN A 98 N - CA - C ANGL. DEV. = 18.2 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 LEU A 5 40.15 -109.63
REMARK 500 ARG A 8 118.52 -11.73
REMARK 500 GLU A 35 89.60 -62.07
REMARK 500 ILE A 47 -165.51 -117.90
REMARK 500 ILE A 50 76.61 52.09
REMARK 500 PHE A 53 76.73 -46.20
REMARK 500 ALA A 71 126.66 -172.29
REMARK 500 PRO A 79 89.93 -63.35
REMARK 500 CYS A 95 128.47 -35.86
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 ARG A 8 0.30 SIDE CHAIN
REMARK 500 ARG A 41 0.11 SIDE CHAIN
REMARK 500 ARG A 57 0.20 SIDE CHAIN
REMARK 500 ARG A 87 0.11 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 700
REMARK 700 SHEET
REMARK 700 THE DIMER INTERFACE IS COMPOSED OF INTERDIGITATED N- AND
REMARK 700 C-TERMINAL STRANDS FROM BOTH SUBUNITS FORMING A
REMARK 700 FOUR-STRANDED ANTI-PARALLEL BETA-SHEET, S2. APPLICATION
REMARK 700 OF THE TWO-FOLD ROTATION TO RESIDUES 1 TO 5 AND 95 TO 99
REMARK 700 GENERATES RESIDUES 1' TO 5' AND 95' TO 99' RESPECTIVELY.
REMARK 700 BECAUSE OF LIMITATIONS IMPOSED BY THE PROTEIN DATA BANK
REMARK 700 FORMAT IT IS NOT POSSIBLE TO PRESENT THIS SHEET ON SHEET
REMARK 700 RECORDS. INSTEAD THIS SHEET IS SPECIFIED IN THIS REMARK.
REMARK 700 STRANDS 1 AND 3 ARE FROM THE MOLECULE IN THIS ENTRY AND
REMARK 700 STRANDS 2 AND 4 ARE FROM THE SYMMETRY RELATED MOLECULE.
REMARK 700 1 S2 4 PRO 1 LEU 5 0
REMARK 700 2 S2 4 CYS 95' PHE 99'-1
REMARK 700 3 S2 4 CYS 95 PHE 99 -1
REMARK 700 4 S2 4 PRO 1' LEU 5'-1
DBREF 3PHV A 1 99 UNP P04585 POL_HV1H2 69 167
SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE
SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR
SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO
SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY
SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU
SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY
SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR
SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE
HELIX 1 H1A GLY A 86 GLN A 92 1 7
HELIX 2 H1B LEU A 89 ILE A 93 5 5
SHEET 1 S1 7 PRO A 9 ILE A 15 0
SHEET 2 S1 7 GLN A 18 LEU A 24 -1 O LYS A 20 N ILE A 13
SHEET 3 S1 7 ASN A 83 ILE A 85 1 O ASN A 83 N LEU A 23
SHEET 4 S1 7 THR A 31 GLU A 34 -1 O VAL A 32 N ILE A 84
SHEET 5 S1 7 HIS A 69 GLY A 78 1 O LEU A 76 N LEU A 33
SHEET 6 S1 7 GLY A 52 ILE A 66 -1 N ARG A 57 O VAL A 77
SHEET 7 S1 7 LYS A 43 GLY A 49 -1 O LYS A 45 N VAL A 56
CRYST1 50.240 50.240 107.120 90.00 90.00 90.00 P 41 21 2 8
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 0.019904 0.000000 0.000000 0.00000
SCALE2 0.000000 0.019904 0.000000 0.00000
SCALE3 0.000000 0.000000 0.009335 0.00000
ATOM 1 N PRO A 1 22.644 34.004 35.541 1.00 0.00 N
ATOM 2 CA PRO A 1 23.698 34.424 34.629 1.00 0.00 C
ATOM 3 C PRO A 1 23.670 33.634 33.311 1.00 0.00 C
ATOM 4 O PRO A 1 23.732 32.407 33.378 1.00 0.00 O
ATOM 5 CB PRO A 1 24.942 33.969 35.398 1.00 0.00 C
ATOM 6 CG PRO A 1 24.473 32.997 36.472 1.00 0.00 C
ATOM 7 CD PRO A 1 23.105 33.581 36.872 1.00 0.00 C
ATOM 8 N GLN A 2 23.620 34.346 32.222 1.00 0.00 N
ATOM 9 CA GLN A 2 23.686 33.843 30.844 1.00 0.00 C
ATOM 10 C GLN A 2 25.109 34.080 30.312 1.00 0.00 C
ATOM 11 O GLN A 2 25.656 35.175 30.522 1.00 0.00 O
ATOM 12 CB GLN A 2 22.644 34.435 29.949 1.00 0.00 C
ATOM 13 CG GLN A 2 23.093 34.632 28.515 1.00 0.00 C
ATOM 14 CD GLN A 2 24.214 35.667 28.411 1.00 0.00 C
ATOM 15 OE1 GLN A 2 25.432 35.285 28.025 1.00 0.00 O
ATOM 16 NE2 GLN A 2 23.974 36.937 28.720 1.00 0.00 N
ATOM 17 N ILE A 3 25.696 33.055 29.732 1.00 0.00 N
ATOM 18 CA ILE A 3 27.062 33.029 29.263 1.00 0.00 C
ATOM 19 C ILE A 3 27.209 32.567 27.802 1.00 0.00 C
ATOM 20 O ILE A 3 26.648 31.543 27.438 1.00 0.00 O
ATOM 21 CB ILE A 3 27.898 32.019 30.081 1.00 0.00 C
ATOM 22 CG1 ILE A 3 27.202 30.675 30.070 1.00 0.00 C
ATOM 23 CG2 ILE A 3 28.195 32.529 31.457 1.00 0.00 C
ATOM 24 CD1 ILE A 3 26.556 30.287 31.392 1.00 0.00 C
ATOM 25 N THR A 4 28.038 33.281 27.096 1.00 0.00 N
ATOM 26 CA THR A 4 28.426 33.077 25.718 1.00 0.00 C
ATOM 27 C THR A 4 29.533 32.012 25.622 1.00 0.00 C
ATOM 28 O THR A 4 30.243 31.794 26.591 1.00 0.00 O
ATOM 29 CB THR A 4 29.141 34.386 25.235 1.00 0.00 C
ATOM 30 OG1 THR A 4 28.644 35.477 25.973 1.00 0.00 O
ATOM 31 CG2 THR A 4 28.890 34.517 23.779 1.00 0.00 C
ATOM 32 N LEU A 5 29.692 31.483 24.423 1.00 0.00 N
ATOM 33 CA LEU A 5 30.739 30.518 24.158 1.00 0.00 C
ATOM 34 C LEU A 5 31.858 31.008 23.297 1.00 0.00 C
ATOM 35 O LEU A 5 32.398 30.296 22.435 1.00 0.00 O
ATOM 36 CB LEU A 5 30.317 29.120 24.009 1.00 0.00 C
ATOM 37 CG LEU A 5 28.958 28.779 24.575 1.00 0.00 C
ATOM 38 CD1 LEU A 5 28.332 27.610 23.823 1.00 0.00 C
ATOM 39 CD2 LEU A 5 28.937 28.525 26.067 1.00 0.00 C
ATOM 40 N TRP A 6 32.318 32.257 23.475 1.00 0.00 N
ATOM 41 CA TRP A 6 33.436 32.724 22.604 1.00 0.00 C
ATOM 42 C TRP A 6 34.757 32.213 23.179 1.00 0.00 C
ATOM 43 O TRP A 6 35.807 32.310 22.556 1.00 0.00 O
ATOM 44 CB TRP A 6 33.488 34.257 22.631 1.00 0.00 C
ATOM 45 CG TRP A 6 32.399 34.827 21.732 1.00 0.00 C
ATOM 46 CD1 TRP A 6 31.241 35.370 22.151 1.00 0.00 C
ATOM 47 CD2 TRP A 6 32.430 34.882 20.335 1.00 0.00 C
ATOM 48 NE1 TRP A 6 30.520 35.768 20.982 1.00 0.00 N
ATOM 49 CE2 TRP A 6 31.231 35.477 19.924 1.00 0.00 C
ATOM 50 CE3 TRP A 6 33.343 34.486 19.346 1.00 0.00 C
ATOM 51 CZ2 TRP A 6 30.922 35.688 18.630 1.00 0.00 C
ATOM 52 CZ3 TRP A 6 33.017 34.701 18.011 1.00 0.00 C
ATOM 53 CH2 TRP A 6 31.822 35.296 17.649 1.00 0.00 C
ATOM 54 N GLN A 7 34.674 31.725 24.388 1.00 0.00 N
ATOM 55 CA GLN A 7 35.862 31.228 25.107 1.00 0.00 C
ATOM 56 C GLN A 7 35.363 30.442 26.335 1.00 0.00 C
ATOM 57 O GLN A 7 34.484 30.962 27.032 1.00 0.00 O
ATOM 58 CB GLN A 7 36.688 32.427 25.621 1.00 0.00 C
ATOM 59 CG GLN A 7 37.381 32.064 26.942 1.00 0.00 C
ATOM 60 CD GLN A 7 38.698 31.327 26.694 1.00 0.00 C
ATOM 61 OE1 GLN A 7 39.295 30.658 27.683 1.00 0.00 O
ATOM 62 NE2 GLN A 7 39.268 31.353 25.487 1.00 0.00 N
ATOM 63 N ARG A 8 35.904 29.278 26.534 1.00 0.00 N
ATOM 64 CA ARG A 8 35.677 28.307 27.530 1.00 0.00 C
ATOM 65 C ARG A 8 34.838 28.753 28.710 1.00 0.00 C
ATOM 66 O ARG A 8 35.146 29.751 29.370 1.00 0.00 O
ATOM 67 CB ARG A 8 36.807 27.420 27.908 1.00 0.00 C
ATOM 68 CG ARG A 8 38.035 28.203 28.375 1.00 0.00 C
ATOM 69 CD ARG A 8 39.156 27.231 28.754 1.00 0.00 C
ATOM 70 NE ARG A 8 38.922 25.920 28.110 1.00 0.00 N
ATOM 71 CZ ARG A 8 39.845 24.944 28.294 1.00 0.00 C
ATOM 72 NH1 ARG A 8 40.047 24.464 29.519 1.00 0.00 N
ATOM 73 NH2 ARG A 8 40.566 24.507 27.266 1.00 0.00 N
ATOM 74 N PRO A 9 33.731 28.089 28.861 1.00 0.00 N
ATOM 75 CA PRO A 9 32.728 28.303 29.863 1.00 0.00 C
ATOM 76 C PRO A 9 33.206 27.848 31.231 1.00 0.00 C
ATOM 77 O PRO A 9 33.056 26.683 31.590 1.00 0.00 O
ATOM 78 CB PRO A 9 31.608 27.452 29.339 1.00 0.00 C
ATOM 79 CG PRO A 9 32.042 26.751 28.077 1.00 0.00 C
ATOM 80 CD PRO A 9 33.462 27.152 27.801 1.00 0.00 C
ATOM 81 N LEU A 10 33.803 28.764 31.968 1.00 0.00 N
ATOM 82 CA LEU A 10 34.326 28.493 33.308 1.00 0.00 C
ATOM 83 C LEU A 10 33.702 29.433 34.349 1.00 0.00 C
ATOM 84 O LEU A 10 33.838 30.646 34.235 1.00 0.00 O
ATOM 85 CB LEU A 10 35.841 28.677 33.354 1.00 0.00 C
ATOM 86 CG LEU A 10 36.484 27.989 32.157 1.00 0.00 C
ATOM 87 CD1 LEU A 10 37.654 28.784 31.625 1.00 0.00 C
ATOM 88 CD2 LEU A 10 36.820 26.533 32.414 1.00 0.00 C
ATOM 89 N VAL A 11 33.067 28.846 35.335 1.00 0.00 N
ATOM 90 CA VAL A 11 32.406 29.637 36.403 1.00 0.00 C
ATOM 91 C VAL A 11 32.905 29.185 37.748 1.00 0.00 C
ATOM 92 O VAL A 11 33.681 28.212 37.819 1.00 0.00 O
ATOM 93 CB VAL A 11 30.890 29.440 36.251 1.00 0.00 C
ATOM 94 CG1 VAL A 11 30.524 29.773 34.769 1.00 0.00 C
ATOM 95 CG2 VAL A 11 30.303 28.050 36.568 1.00 0.00 C
ATOM 96 N THR A 12 32.550 29.869 38.823 1.00 0.00 N
ATOM 97 CA THR A 12 33.031 29.495 40.159 1.00 0.00 C
ATOM 98 C THR A 12 32.099 28.582 40.902 1.00 0.00 C
ATOM 99 O THR A 12 30.874 28.697 40.857 1.00 0.00 O
ATOM 100 CB THR A 12 33.321 30.747 40.975 1.00 0.00 C
ATOM 101 OG1 THR A 12 34.718 31.068 40.907 1.00 0.00 O
ATOM 102 CG2 THR A 12 32.964 30.522 42.401 1.00 0.00 C
ATOM 103 N ILE A 13 32.666 27.633 41.654 1.00 0.00 N
ATOM 104 CA ILE A 13 31.807 26.736 42.446 1.00 0.00 C
ATOM 105 C ILE A 13 32.133 26.892 43.950 1.00 0.00 C
ATOM 106 O ILE A 13 33.057 27.590 44.312 1.00 0.00 O
ATOM 107 CB ILE A 13 32.081 25.288 42.089 1.00 0.00 C
ATOM 108 CG1 ILE A 13 33.498 25.029 41.701 1.00 0.00 C
ATOM 109 CG2 ILE A 13 31.056 24.644 41.217 1.00 0.00 C
ATOM 110 CD1 ILE A 13 33.908 23.560 41.802 1.00 0.00 C
ATOM 111 N LYS A 14 31.359 26.237 44.754 1.00 0.00 N
ATOM 112 CA LYS A 14 31.406 25.988 46.122 1.00 0.00 C
ATOM 113 C LYS A 14 30.939 24.507 46.360 1.00 0.00 C
ATOM 114 O LYS A 14 29.851 24.189 45.909 1.00 0.00 O
ATOM 115 CB LYS A 14 30.876 26.851 47.162 1.00 0.00 C
ATOM 116 CG LYS A 14 31.160 28.304 47.093 1.00 0.00 C
ATOM 117 CD LYS A 14 29.900 29.133 47.382 1.00 0.00 C
ATOM 118 CE LYS A 14 29.960 29.660 48.808 1.00 0.00 C
ATOM 119 NZ LYS A 14 28.695 30.296 49.188 1.00 0.00 N
ATOM 120 N ILE A 15 31.816 23.765 46.899 1.00 0.00 N
ATOM 121 CA ILE A 15 31.756 22.457 47.446 1.00 0.00 C
ATOM 122 C ILE A 15 32.346 22.577 48.904 1.00 0.00 C
ATOM 123 O ILE A 15 33.545 22.767 48.978 1.00 0.00 O
ATOM 124 CB ILE A 15 32.328 21.307 46.775 1.00 0.00 C
ATOM 125 CG1 ILE A 15 33.738 21.458 46.296 1.00 0.00 C
ATOM 126 CG2 ILE A 15 31.429 20.519 45.880 1.00 0.00 C
ATOM 127 CD1 ILE A 15 33.870 21.811 44.822 1.00 0.00 C
ATOM 128 N GLY A 16 31.450 22.568 49.839 1.00 0.00 N
ATOM 129 CA GLY A 16 31.722 22.691 51.261 1.00 0.00 C
ATOM 130 C GLY A 16 32.800 23.761 51.505 1.00 0.00 C
ATOM 131 O GLY A 16 33.984 23.405 51.530 1.00 0.00 O
ATOM 132 N GLY A 17 32.345 24.974 51.666 1.00 0.00 N
ATOM 133 CA GLY A 17 33.076 26.171 51.947 1.00 0.00 C
ATOM 134 C GLY A 17 34.009 26.620 50.833 1.00 0.00 C
ATOM 135 O GLY A 17 34.026 27.822 50.531 1.00 0.00 O
ATOM 136 N GLN A 18 34.757 25.714 50.273 1.00 0.00 N
ATOM 137 CA GLN A 18 35.737 25.835 49.252 1.00 0.00 C
ATOM 138 C GLN A 18 35.308 26.466 47.955 1.00 0.00 C
ATOM 139 O GLN A 18 34.546 25.882 47.176 1.00 0.00 O
ATOM 140 CB GLN A 18 36.485 24.523 48.967 1.00 0.00 C
ATOM 141 CG GLN A 18 37.801 24.476 49.755 1.00 0.00 C
ATOM 142 CD GLN A 18 37.559 23.858 51.138 1.00 0.00 C
ATOM 143 OE1 GLN A 18 37.262 22.568 51.234 1.00 0.00 O
ATOM 144 NE2 GLN A 18 37.629 24.611 52.231 1.00 0.00 N
ATOM 145 N LEU A 19 35.833 27.658 47.674 1.00 0.00 N
ATOM 146 CA LEU A 19 35.496 28.321 46.372 1.00 0.00 C
ATOM 147 C LEU A 19 36.278 27.520 45.292 1.00 0.00 C
ATOM 148 O LEU A 19 37.405 27.130 45.610 1.00 0.00 O
ATOM 149 CB LEU A 19 36.039 29.745 46.377 1.00 0.00 C
ATOM 150 CG LEU A 19 35.136 30.707 47.108 1.00 0.00 C
ATOM 151 CD1 LEU A 19 35.547 32.156 46.925 1.00 0.00 C
ATOM 152 CD2 LEU A 19 33.653 30.512 46.876 1.00 0.00 C
ATOM 153 N LYS A 20 35.688 27.300 44.155 1.00 0.00 N
ATOM 154 CA LYS A 20 36.240 26.547 43.058 1.00 0.00 C
ATOM 155 C LYS A 20 35.933 27.088 41.697 1.00 0.00 C
ATOM 156 O LYS A 20 35.376 28.196 41.590 1.00 0.00 O
ATOM 157 CB LYS A 20 36.069 25.073 43.191 1.00 0.00 C
ATOM 158 CG LYS A 20 36.886 24.516 44.343 1.00 0.00 C
ATOM 159 CD LYS A 20 37.549 23.221 43.944 1.00 0.00 C
ATOM 160 CE LYS A 20 37.163 22.113 44.913 1.00 0.00 C
ATOM 161 NZ LYS A 20 37.107 20.824 44.191 1.00 0.00 N
ATOM 162 N GLU A 21 36.310 26.369 40.644 1.00 0.00 N
ATOM 163 CA GLU A 21 36.094 26.838 39.258 1.00 0.00 C
ATOM 164 C GLU A 21 35.977 25.678 38.284 1.00 0.00 C
ATOM 165 O GLU A 21 36.894 24.851 38.215 1.00 0.00 O
ATOM 166 CB GLU A 21 37.345 27.658 38.859 1.00 0.00 C
ATOM 167 CG GLU A 21 37.249 28.029 37.398 1.00 0.00 C
ATOM 168 CD GLU A 21 36.641 29.400 37.199 1.00 0.00 C
ATOM 169 OE1 GLU A 21 36.924 30.336 37.963 1.00 0.00 O
ATOM 170 OE2 GLU A 21 35.866 29.603 36.239 1.00 0.00 O
ATOM 171 N ALA A 22 34.905 25.627 37.495 1.00 0.00 N
ATOM 172 CA ALA A 22 34.676 24.579 36.537 1.00 0.00 C
ATOM 173 C ALA A 22 34.045 24.942 35.222 1.00 0.00 C
ATOM 174 O ALA A 22 33.619 26.062 34.950 1.00 0.00 O
ATOM 175 CB ALA A 22 34.025 23.352 37.132 1.00 0.00 C
ATOM 176 N LEU A 23 33.963 23.936 34.355 1.00 0.00 N
ATOM 177 CA LEU A 23 33.434 24.022 33.005 1.00 0.00 C
ATOM 178 C LEU A 23 31.928 23.716 32.966 1.00 0.00 C
ATOM 179 O LEU A 23 31.523 22.643 33.401 1.00 0.00 O
ATOM 180 CB LEU A 23 34.097 22.944 32.123 1.00 0.00 C
ATOM 181 CG LEU A 23 35.327 23.431 31.410 1.00 0.00 C
ATOM 182 CD1 LEU A 23 35.849 22.345 30.458 1.00 0.00 C
ATOM 183 CD2 LEU A 23 35.172 24.747 30.656 1.00 0.00 C
ATOM 184 N LEU A 24 31.136 24.623 32.437 1.00 0.00 N
ATOM 185 CA LEU A 24 29.651 24.270 32.361 1.00 0.00 C
ATOM 186 C LEU A 24 29.562 23.403 31.074 1.00 0.00 C
ATOM 187 O LEU A 24 29.400 24.006 30.023 1.00 0.00 O
ATOM 188 CB LEU A 24 28.911 25.585 32.089 1.00 0.00 C
ATOM 189 CG LEU A 24 28.757 26.383 33.383 1.00 0.00 C
ATOM 190 CD1 LEU A 24 28.218 27.775 33.104 1.00 0.00 C
ATOM 191 CD2 LEU A 24 27.915 25.671 34.427 1.00 0.00 C
ATOM 192 N ASP A 25 29.741 22.123 31.197 1.00 0.00 N
ATOM 193 CA ASP A 25 29.829 21.144 30.134 1.00 0.00 C
ATOM 194 C ASP A 25 28.595 20.422 29.734 1.00 0.00 C
ATOM 195 O ASP A 25 28.176 19.451 30.386 1.00 0.00 O
ATOM 196 CB ASP A 25 30.982 20.156 30.400 1.00 0.00 C
ATOM 197 CG ASP A 25 31.331 19.348 29.157 1.00 0.00 C
ATOM 198 OD1 ASP A 25 30.530 19.289 28.222 1.00 0.00 O
ATOM 199 OD2 ASP A 25 32.427 18.751 29.064 1.00 0.00 O
ATOM 200 N THR A 26 27.979 20.777 28.607 1.00 0.00 N
ATOM 201 CA THR A 26 26.753 20.108 28.158 1.00 0.00 C
ATOM 202 C THR A 26 27.080 18.852 27.344 1.00 0.00 C
ATOM 203 O THR A 26 26.253 18.477 26.511 1.00 0.00 O
ATOM 204 CB THR A 26 26.035 21.042 27.138 1.00 0.00 C
ATOM 205 OG1 THR A 26 26.795 20.928 25.927 1.00 0.00 O
ATOM 206 CG2 THR A 26 26.040 22.434 27.617 1.00 0.00 C
ATOM 207 N GLY A 27 28.207 18.256 27.532 1.00 0.00 N
ATOM 208 CA GLY A 27 28.582 17.042 26.737 1.00 0.00 C
ATOM 209 C GLY A 27 29.018 15.969 27.714 1.00 0.00 C
ATOM 210 O GLY A 27 29.528 14.917 27.378 1.00 0.00 O
ATOM 211 N ALA A 28 28.796 16.289 28.997 1.00 0.00 N
ATOM 212 CA ALA A 28 29.168 15.309 30.025 1.00 0.00 C
ATOM 213 C ALA A 28 27.931 14.766 30.708 1.00 0.00 C
ATOM 214 O ALA A 28 26.949 15.475 30.882 1.00 0.00 O
ATOM 215 CB ALA A 28 30.077 15.964 31.067 1.00 0.00 C
ATOM 216 N ASP A 29 28.005 13.507 31.128 1.00 0.00 N
ATOM 217 CA ASP A 29 26.885 12.934 31.888 1.00 0.00 C
ATOM 218 C ASP A 29 27.143 13.070 33.352 1.00 0.00 C
ATOM 219 O ASP A 29 26.314 13.560 34.130 1.00 0.00 O
ATOM 220 CB ASP A 29 26.390 11.634 31.406 1.00 0.00 C
ATOM 221 CG ASP A 29 25.619 11.751 30.078 1.00 0.00 C
ATOM 222 OD1 ASP A 29 26.255 11.779 29.014 1.00 0.00 O
ATOM 223 OD2 ASP A 29 24.383 11.864 30.096 1.00 0.00 O
ATOM 224 N ASP A 30 28.388 12.783 33.786 1.00 0.00 N
ATOM 225 CA ASP A 30 28.666 12.969 35.206 1.00 0.00 C
ATOM 226 C ASP A 30 29.443 14.242 35.507 1.00 0.00 C
ATOM 227 O ASP A 30 30.034 14.856 34.623 1.00 0.00 O
ATOM 228 CB ASP A 30 29.271 11.788 35.897 1.00 0.00 C
ATOM 229 CG ASP A 30 29.014 10.461 35.199 1.00 0.00 C
ATOM 230 OD1 ASP A 30 28.340 9.592 35.772 1.00 0.00 O
ATOM 231 OD2 ASP A 30 29.510 10.229 34.083 1.00 0.00 O
ATOM 232 N THR A 31 29.448 14.612 36.767 1.00 0.00 N
ATOM 233 CA THR A 31 30.126 15.788 37.313 1.00 0.00 C
ATOM 234 C THR A 31 31.331 15.317 38.145 1.00 0.00 C
ATOM 235 O THR A 31 31.135 14.616 39.133 1.00 0.00 O
ATOM 236 CB THR A 31 29.168 16.504 38.285 1.00 0.00 C
ATOM 237 OG1 THR A 31 28.474 17.560 37.626 1.00 0.00 O
ATOM 238 CG2 THR A 31 29.994 17.065 39.405 1.00 0.00 C
ATOM 239 N VAL A 32 32.523 15.672 37.721 1.00 0.00 N
ATOM 240 CA VAL A 32 33.743 15.227 38.441 1.00 0.00 C
ATOM 241 C VAL A 32 34.642 16.416 38.744 1.00 0.00 C
ATOM 242 O VAL A 32 34.800 17.299 37.907 1.00 0.00 O
ATOM 243 CB VAL A 32 34.505 14.230 37.579 1.00 0.00 C
ATOM 244 CG1 VAL A 32 35.171 14.955 36.410 1.00 0.00 C
ATOM 245 CG2 VAL A 32 35.432 13.201 38.201 1.00 0.00 C
ATOM 246 N LEU A 33 35.245 16.395 39.916 1.00 0.00 N
ATOM 247 CA LEU A 33 36.028 17.431 40.484 1.00 0.00 C
ATOM 248 C LEU A 33 37.413 17.143 41.032 1.00 0.00 C
ATOM 249 O LEU A 33 37.938 16.044 40.987 1.00 0.00 O
ATOM 250 CB LEU A 33 35.220 18.065 41.669 1.00 0.00 C
ATOM 251 CG LEU A 33 34.623 19.378 41.186 1.00 0.00 C
ATOM 252 CD1 LEU A 33 33.240 19.171 40.601 1.00 0.00 C
ATOM 253 CD2 LEU A 33 34.645 20.472 42.240 1.00 0.00 C
ATOM 254 N GLU A 34 37.976 18.186 41.609 1.00 0.00 N
ATOM 255 CA GLU A 34 39.258 18.316 42.236 1.00 0.00 C
ATOM 256 C GLU A 34 39.319 17.475 43.511 1.00 0.00 C
ATOM 257 O GLU A 34 38.368 17.475 44.291 1.00 0.00 O
ATOM 258 CB GLU A 34 39.422 19.801 42.683 1.00 0.00 C
ATOM 259 CG GLU A 34 40.790 20.295 42.280 1.00 0.00 C
ATOM 260 CD GLU A 34 40.735 21.760 41.879 1.00 0.00 C
ATOM 261 OE1 GLU A 34 39.911 22.525 42.405 1.00 0.00 O
ATOM 262 OE2 GLU A 34 41.527 22.190 41.020 1.00 0.00 O
ATOM 263 N GLU A 35 40.437 16.802 43.714 1.00 0.00 N
ATOM 264 CA GLU A 35 40.603 15.991 44.908 1.00 0.00 C
ATOM 265 C GLU A 35 40.545 16.827 46.175 1.00 0.00 C
ATOM 266 O GLU A 35 41.579 17.289 46.650 1.00 0.00 O
ATOM 267 CB GLU A 35 41.837 15.132 44.891 1.00 0.00 C
ATOM 268 CG GLU A 35 41.543 13.726 45.372 1.00 0.00 C
ATOM 269 CD GLU A 35 41.368 13.666 46.876 1.00 0.00 C
ATOM 270 OE1 GLU A 35 40.869 14.617 47.491 1.00 0.00 O
ATOM 271 OE2 GLU A 35 41.712 12.643 47.498 1.00 0.00 O
ATOM 272 N MET A 36 39.360 17.000 46.718 1.00 0.00 N
ATOM 273 CA MET A 36 39.171 17.674 48.016 1.00 0.00 C
ATOM 274 C MET A 36 38.432 16.682 48.922 1.00 0.00 C
ATOM 275 O MET A 36 37.754 15.792 48.378 1.00 0.00 O
ATOM 276 CB MET A 36 38.547 19.003 47.944 1.00 0.00 C
ATOM 277 CG MET A 36 37.106 19.060 48.381 1.00 0.00 C
ATOM 278 SD MET A 36 35.951 19.449 47.061 1.00 0.00 S
ATOM 279 CE MET A 36 36.026 18.253 45.700 1.00 0.00 C
ATOM 280 N SER A 37 38.598 16.761 50.212 1.00 0.00 N
ATOM 281 CA SER A 37 38.014 15.842 51.177 1.00 0.00 C
ATOM 282 C SER A 37 36.600 16.136 51.566 1.00 0.00 C
ATOM 283 O SER A 37 36.309 17.089 52.306 1.00 0.00 O
ATOM 284 CB SER A 37 38.900 15.664 52.390 1.00 0.00 C
ATOM 285 OG SER A 37 40.118 16.400 52.219 1.00 0.00 O
ATOM 286 N LEU A 38 35.668 15.293 51.107 1.00 0.00 N
ATOM 287 CA LEU A 38 34.280 15.426 51.409 1.00 0.00 C
ATOM 288 C LEU A 38 33.813 14.704 52.663 1.00 0.00 C
ATOM 289 O LEU A 38 34.010 13.519 52.883 1.00 0.00 O
ATOM 290 CB LEU A 38 33.298 15.182 50.304 1.00 0.00 C
ATOM 291 CG LEU A 38 33.400 16.065 49.107 1.00 0.00 C
ATOM 292 CD1 LEU A 38 32.618 15.495 47.924 1.00 0.00 C
ATOM 293 CD2 LEU A 38 33.085 17.534 49.296 1.00 0.00 C
ATOM 294 N PRO A 39 33.120 15.484 53.508 1.00 0.00 N
ATOM 295 CA PRO A 39 32.486 14.766 54.669 1.00 0.00 C
ATOM 296 C PRO A 39 31.375 13.953 53.932 1.00 0.00 C
ATOM 297 O PRO A 39 30.685 14.571 53.116 1.00 0.00 O
ATOM 298 CB PRO A 39 31.820 15.933 55.370 1.00 0.00 C
ATOM 299 CG PRO A 39 31.890 17.152 54.470 1.00 0.00 C
ATOM 300 CD PRO A 39 33.184 16.932 53.683 1.00 0.00 C
ATOM 301 N GLY A 40 31.349 12.664 54.099 1.00 0.00 N
ATOM 302 CA GLY A 40 30.310 11.865 53.405 1.00 0.00 C
ATOM 303 C GLY A 40 30.792 10.430 53.211 1.00 0.00 C
ATOM 304 O GLY A 40 31.900 10.112 53.642 1.00 0.00 O
ATOM 305 N ARG A 41 29.937 9.637 52.614 1.00 0.00 N
ATOM 306 CA ARG A 41 30.131 8.271 52.230 1.00 0.00 C
ATOM 307 C ARG A 41 30.323 8.096 50.754 1.00 0.00 C
ATOM 308 O ARG A 41 29.641 8.692 49.908 1.00 0.00 O
ATOM 309 CB ARG A 41 29.321 7.244 52.908 1.00 0.00 C
ATOM 310 CG ARG A 41 28.138 6.725 52.090 1.00 0.00 C
ATOM 311 CD ARG A 41 27.873 5.249 52.459 1.00 0.00 C
ATOM 312 NE ARG A 41 29.171 4.604 52.752 1.00 0.00 N
ATOM 313 CZ ARG A 41 29.311 3.895 53.891 1.00 0.00 C
ATOM 314 NH1 ARG A 41 28.231 3.436 54.517 1.00 0.00 N
ATOM 315 NH2 ARG A 41 30.519 3.656 54.386 1.00 0.00 N
ATOM 316 N TRP A 42 31.334 7.311 50.369 1.00 0.00 N
ATOM 317 CA TRP A 42 31.626 7.138 48.970 1.00 0.00 C
ATOM 318 C TRP A 42 31.443 5.738 48.447 1.00 0.00 C
ATOM 319 O TRP A 42 31.377 4.753 49.170 1.00 0.00 O
ATOM 320 CB TRP A 42 32.931 7.732 48.527 1.00 0.00 C
ATOM 321 CG TRP A 42 34.114 6.799 48.776 1.00 0.00 C
ATOM 322 CD1 TRP A 42 34.306 5.578 48.248 1.00 0.00 C
ATOM 323 CD2 TRP A 42 35.206 7.093 49.608 1.00 0.00 C
ATOM 324 NE1 TRP A 42 35.552 5.084 48.766 1.00 0.00 N
ATOM 325 CE2 TRP A 42 36.065 5.991 49.555 1.00 0.00 C
ATOM 326 CE3 TRP A 42 35.567 8.182 50.410 1.00 0.00 C
ATOM 327 CZ2 TRP A 42 37.223 5.943 50.243 1.00 0.00 C
ATOM 328 CZ3 TRP A 42 36.765 8.122 51.115 1.00 0.00 C
ATOM 329 CH2 TRP A 42 37.589 7.014 51.037 1.00 0.00 C
ATOM 330 N LYS A 43 31.398 5.664 47.138 1.00 0.00 N
ATOM 331 CA LYS A 43 31.202 4.388 46.406 1.00 0.00 C
ATOM 332 C LYS A 43 32.214 4.405 45.251 1.00 0.00 C
ATOM 333 O LYS A 43 32.136 5.272 44.385 1.00 0.00 O
ATOM 334 CB LYS A 43 29.785 4.468 45.801 1.00 0.00 C
ATOM 335 CG LYS A 43 29.192 3.107 45.614 1.00 0.00 C
ATOM 336 CD LYS A 43 28.473 2.636 46.869 1.00 0.00 C
ATOM 337 CE LYS A 43 29.322 1.582 47.575 1.00 0.00 C
ATOM 338 NZ LYS A 43 29.302 1.805 49.031 1.00 0.00 N
ATOM 339 N PRO A 44 33.181 3.527 45.296 1.00 0.00 N
ATOM 340 CA PRO A 44 34.212 3.482 44.242 1.00 0.00 C
ATOM 341 C PRO A 44 33.514 3.329 42.875 1.00 0.00 C
ATOM 342 O PRO A 44 32.627 2.481 42.772 1.00 0.00 O
ATOM 343 CB PRO A 44 34.900 2.190 44.620 1.00 0.00 C
ATOM 344 CG PRO A 44 34.661 1.943 46.094 1.00 0.00 C
ATOM 345 CD PRO A 44 33.401 2.694 46.449 1.00 0.00 C
ATOM 346 N LYS A 45 33.907 4.147 41.955 1.00 0.00 N
ATOM 347 CA LYS A 45 33.451 4.268 40.573 1.00 0.00 C
ATOM 348 C LYS A 45 34.648 4.506 39.663 1.00 0.00 C
ATOM 349 O LYS A 45 35.724 4.869 40.153 1.00 0.00 O
ATOM 350 CB LYS A 45 32.430 5.373 40.408 1.00 0.00 C
ATOM 351 CG LYS A 45 31.149 4.840 39.785 1.00 0.00 C
ATOM 352 CD LYS A 45 30.177 5.975 39.526 1.00 0.00 C
ATOM 353 CE LYS A 45 28.751 5.500 39.476 1.00 0.00 C
ATOM 354 NZ LYS A 45 28.567 4.361 38.573 1.00 0.00 N
ATOM 355 N MET A 46 34.502 4.314 38.362 1.00 0.00 N
ATOM 356 CA MET A 46 35.672 4.466 37.472 1.00 0.00 C
ATOM 357 C MET A 46 35.328 5.209 36.186 1.00 0.00 C
ATOM 358 O MET A 46 34.318 4.880 35.565 1.00 0.00 O
ATOM 359 CB MET A 46 36.159 3.050 37.095 1.00 0.00 C
ATOM 360 CG MET A 46 37.673 3.011 37.035 1.00 0.00 C
ATOM 361 SD MET A 46 38.403 2.096 38.408 1.00 0.00 S
ATOM 362 CE MET A 46 39.816 1.112 37.894 1.00 0.00 C
ATOM 363 N ILE A 47 36.170 6.123 35.805 1.00 0.00 N
ATOM 364 CA ILE A 47 36.126 6.964 34.619 1.00 0.00 C
ATOM 365 C ILE A 47 37.329 6.716 33.706 1.00 0.00 C
ATOM 366 O ILE A 47 38.033 5.726 33.895 1.00 0.00 O
ATOM 367 CB ILE A 47 36.148 8.446 35.036 1.00 0.00 C
ATOM 368 CG1 ILE A 47 34.997 8.752 35.971 1.00 0.00 C
ATOM 369 CG2 ILE A 47 36.135 9.345 33.813 1.00 0.00 C
ATOM 370 CD1 ILE A 47 33.672 9.026 35.282 1.00 0.00 C
ATOM 371 N GLY A 48 37.586 7.590 32.752 1.00 0.00 N
ATOM 372 CA GLY A 48 38.728 7.437 31.852 1.00 0.00 C
ATOM 373 C GLY A 48 38.997 8.616 30.958 1.00 0.00 C
ATOM 374 O GLY A 48 38.195 9.544 30.823 1.00 0.00 O
ATOM 375 N GLY A 49 40.154 8.614 30.290 1.00 0.00 N
ATOM 376 CA GLY A 49 40.476 9.711 29.357 1.00 0.00 C
ATOM 377 C GLY A 49 41.951 9.701 29.002 1.00 0.00 C
ATOM 378 O GLY A 49 42.784 9.972 29.867 1.00 0.00 O
ATOM 379 N ILE A 50 42.285 9.411 27.762 1.00 0.00 N
ATOM 380 CA ILE A 50 43.672 9.356 27.289 1.00 0.00 C
ATOM 381 C ILE A 50 44.531 8.455 28.177 1.00 0.00 C
ATOM 382 O ILE A 50 45.301 8.950 28.997 1.00 0.00 O
ATOM 383 CB ILE A 50 44.298 10.726 27.175 1.00 0.00 C
ATOM 384 CG1 ILE A 50 43.315 11.724 26.565 1.00 0.00 C
ATOM 385 CG2 ILE A 50 45.571 10.647 26.323 1.00 0.00 C
ATOM 386 CD1 ILE A 50 43.435 13.126 27.135 1.00 0.00 C
ATOM 387 N GLY A 51 44.371 7.176 28.002 1.00 0.00 N
ATOM 388 CA GLY A 51 45.034 6.133 28.830 1.00 0.00 C
ATOM 389 C GLY A 51 43.839 5.319 29.399 1.00 0.00 C
ATOM 390 O GLY A 51 43.857 4.125 29.496 1.00 0.00 O
ATOM 391 N GLY A 52 42.803 6.114 29.732 1.00 0.00 N
ATOM 392 CA GLY A 52 41.557 5.523 30.153 1.00 0.00 C
ATOM 393 C GLY A 52 41.329 5.382 31.629 1.00 0.00 C
ATOM 394 O GLY A 52 41.283 6.346 32.391 1.00 0.00 O
ATOM 395 N PHE A 53 41.137 4.143 32.040 1.00 0.00 N
ATOM 396 CA PHE A 53 40.788 3.667 33.288 1.00 0.00 C
ATOM 397 C PHE A 53 41.471 4.169 34.535 1.00 0.00 C
ATOM 398 O PHE A 53 42.268 3.418 35.127 1.00 0.00 O
ATOM 399 CB PHE A 53 40.495 2.197 33.401 1.00 0.00 C
ATOM 400 CG PHE A 53 39.022 1.921 33.080 1.00 0.00 C
ATOM 401 CD1 PHE A 53 38.178 2.949 32.683 1.00 0.00 C
ATOM 402 CD2 PHE A 53 38.560 0.620 33.206 1.00 0.00 C
ATOM 403 CE1 PHE A 53 36.840 2.665 32.399 1.00 0.00 C
ATOM 404 CE2 PHE A 53 37.238 0.344 32.922 1.00 0.00 C
ATOM 405 CZ PHE A 53 36.375 1.358 32.519 1.00 0.00 C
ATOM 406 N ILE A 54 41.083 5.337 34.923 1.00 0.00 N
ATOM 407 CA ILE A 54 41.442 6.038 36.156 1.00 0.00 C
ATOM 408 C ILE A 54 40.299 5.769 37.174 1.00 0.00 C
ATOM 409 O ILE A 54 39.138 5.768 36.726 1.00 0.00 O
ATOM 410 CB ILE A 54 41.512 7.528 35.840 1.00 0.00 C
ATOM 411 CG1 ILE A 54 42.943 7.987 35.629 1.00 0.00 C
ATOM 412 CG2 ILE A 54 40.784 8.377 36.850 1.00 0.00 C
ATOM 413 CD1 ILE A 54 43.108 9.106 34.603 1.00 0.00 C
ATOM 414 N LYS A 55 40.568 5.509 38.407 1.00 0.00 N
ATOM 415 CA LYS A 55 39.614 5.183 39.494 1.00 0.00 C
ATOM 416 C LYS A 55 39.073 6.404 40.199 1.00 0.00 C
ATOM 417 O LYS A 55 39.846 7.124 40.861 1.00 0.00 O
ATOM 418 CB LYS A 55 40.468 4.417 40.553 1.00 0.00 C
ATOM 419 CG LYS A 55 39.720 3.301 41.180 1.00 0.00 C
ATOM 420 CD LYS A 55 40.657 2.135 41.506 1.00 0.00 C
ATOM 421 CE LYS A 55 40.017 1.226 42.540 1.00 0.00 C
ATOM 422 NZ LYS A 55 40.690 1.387 43.841 1.00 0.00 N
ATOM 423 N VAL A 56 37.771 6.666 40.225 1.00 0.00 N
ATOM 424 CA VAL A 56 37.299 7.866 40.969 1.00 0.00 C
ATOM 425 C VAL A 56 36.511 7.498 42.204 1.00 0.00 C
ATOM 426 O VAL A 56 36.296 6.311 42.464 1.00 0.00 O
ATOM 427 CB VAL A 56 36.557 8.820 40.078 1.00 0.00 C
ATOM 428 CG1 VAL A 56 37.283 10.141 39.892 1.00 0.00 C
ATOM 429 CG2 VAL A 56 35.927 8.349 38.768 1.00 0.00 C
ATOM 430 N ARG A 57 36.070 8.473 42.983 1.00 0.00 N
ATOM 431 CA ARG A 57 35.382 8.325 44.238 1.00 0.00 C
ATOM 432 C ARG A 57 34.072 9.026 44.376 1.00 0.00 C
ATOM 433 O ARG A 57 33.964 10.116 44.957 1.00 0.00 O
ATOM 434 CB ARG A 57 36.302 8.571 45.431 1.00 0.00 C
ATOM 435 CG ARG A 57 35.982 9.845 46.175 1.00 0.00 C
ATOM 436 CD ARG A 57 36.108 9.702 47.680 1.00 0.00 C
ATOM 437 NE ARG A 57 37.308 10.273 48.233 1.00 0.00 N
ATOM 438 CZ ARG A 57 37.559 11.557 48.449 1.00 0.00 C
ATOM 439 NH1 ARG A 57 36.694 12.361 49.056 1.00 0.00 N
ATOM 440 NH2 ARG A 57 38.748 12.081 48.091 1.00 0.00 N
ATOM 441 N GLN A 58 32.994 8.411 43.929 1.00 0.00 N
ATOM 442 CA GLN A 58 31.655 8.919 43.930 1.00 0.00 C
ATOM 443 C GLN A 58 31.079 9.311 45.271 1.00 0.00 C
ATOM 444 O GLN A 58 31.132 8.515 46.215 1.00 0.00 O
ATOM 445 CB GLN A 58 30.687 7.938 43.234 1.00 0.00 C
ATOM 446 CG GLN A 58 29.241 8.374 43.440 1.00 0.00 C
ATOM 447 CD GLN A 58 28.388 8.020 42.214 1.00 0.00 C
ATOM 448 OE1 GLN A 58 28.131 6.748 41.946 1.00 0.00 O
ATOM 449 NE2 GLN A 58 27.914 8.982 41.429 1.00 0.00 N
ATOM 450 N TYR A 59 30.533 10.505 45.360 1.00 0.00 N
ATOM 451 CA TYR A 59 29.820 11.054 46.524 1.00 0.00 C
ATOM 452 C TYR A 59 28.363 11.212 46.177 1.00 0.00 C
ATOM 453 O TYR A 59 28.030 11.456 45.004 1.00 0.00 O
ATOM 454 CB TYR A 59 30.447 12.324 47.045 1.00 0.00 C
ATOM 455 CG TYR A 59 31.607 11.966 47.989 1.00 0.00 C
ATOM 456 CD1 TYR A 59 31.396 11.055 49.021 1.00 0.00 C
ATOM 457 CD2 TYR A 59 32.859 12.523 47.789 1.00 0.00 C
ATOM 458 CE1 TYR A 59 32.448 10.714 49.867 1.00 0.00 C
ATOM 459 CE2 TYR A 59 33.903 12.192 48.639 1.00 0.00 C
ATOM 460 CZ TYR A 59 33.705 11.282 49.671 1.00 0.00 C
ATOM 461 OH TYR A 59 34.752 10.950 50.507 1.00 0.00 O
ATOM 462 N ASP A 60 27.423 11.040 47.105 1.00 0.00 N
ATOM 463 CA ASP A 60 26.041 10.998 46.731 1.00 0.00 C
ATOM 464 C ASP A 60 25.094 12.068 46.828 1.00 0.00 C
ATOM 465 O ASP A 60 24.185 12.253 45.949 1.00 0.00 O
ATOM 466 CB ASP A 60 25.436 9.601 46.898 1.00 0.00 C
ATOM 467 CG ASP A 60 25.363 8.889 45.543 1.00 0.00 C
ATOM 468 OD1 ASP A 60 25.556 7.664 45.472 1.00 0.00 O
ATOM 469 OD2 ASP A 60 25.111 9.545 44.516 1.00 0.00 O
ATOM 470 N GLN A 61 25.017 12.910 47.864 1.00 0.00 N
ATOM 471 CA GLN A 61 23.920 13.941 47.728 1.00 0.00 C
ATOM 472 C GLN A 61 24.509 15.306 48.021 1.00 0.00 C
ATOM 473 O GLN A 61 23.875 16.148 48.651 1.00 0.00 O
ATOM 474 CB GLN A 61 22.780 13.621 48.675 1.00 0.00 C
ATOM 475 CG GLN A 61 21.417 13.976 48.065 1.00 0.00 C
ATOM 476 CD GLN A 61 20.312 13.076 48.610 1.00 0.00 C
ATOM 477 OE1 GLN A 61 20.591 12.120 49.487 1.00 0.00 O
ATOM 478 NE2 GLN A 61 19.052 13.260 48.217 1.00 0.00 N
ATOM 479 N ILE A 62 25.724 15.512 47.528 1.00 0.00 N
ATOM 480 CA ILE A 62 26.487 16.701 47.738 1.00 0.00 C
ATOM 481 C ILE A 62 25.898 17.969 47.184 1.00 0.00 C
ATOM 482 O ILE A 62 25.576 18.038 45.993 1.00 0.00 O
ATOM 483 CB ILE A 62 27.963 16.594 47.585 1.00 0.00 C
ATOM 484 CG1 ILE A 62 28.565 15.335 48.193 1.00 0.00 C
ATOM 485 CG2 ILE A 62 28.689 17.826 48.126 1.00 0.00 C
ATOM 486 CD1 ILE A 62 29.307 15.575 49.503 1.00 0.00 C
ATOM 487 N LEU A 63 25.743 18.979 48.025 1.00 0.00 N
ATOM 488 CA LEU A 63 25.206 20.265 47.693 1.00 0.00 C
ATOM 489 C LEU A 63 26.213 21.205 47.041 1.00 0.00 C
ATOM 490 O LEU A 63 26.883 21.975 47.739 1.00 0.00 O
ATOM 491 CB LEU A 63 24.578 20.981 48.893 1.00 0.00 C
ATOM 492 CG LEU A 63 24.520 22.482 48.611 1.00 0.00 C
ATOM 493 CD1 LEU A 63 23.198 22.895 48.013 1.00 0.00 C
ATOM 494 CD2 LEU A 63 24.967 23.358 49.751 1.00 0.00 C
ATOM 495 N ILE A 64 26.304 21.196 45.738 1.00 0.00 N
ATOM 496 CA ILE A 64 27.225 22.115 45.043 1.00 0.00 C
ATOM 497 C ILE A 64 26.585 23.463 44.828 1.00 0.00 C
ATOM 498 O ILE A 64 25.416 23.565 44.435 1.00 0.00 O
ATOM 499 CB ILE A 64 27.654 21.468 43.740 1.00 0.00 C
ATOM 500 CG1 ILE A 64 28.218 20.068 44.029 1.00 0.00 C
ATOM 501 CG2 ILE A 64 28.664 22.319 42.991 1.00 0.00 C
ATOM 502 CD1 ILE A 64 27.662 18.979 43.134 1.00 0.00 C
ATOM 503 N GLU A 65 27.300 24.548 45.135 1.00 0.00 N
ATOM 504 CA GLU A 65 26.703 25.894 44.897 1.00 0.00 C
ATOM 505 C GLU A 65 27.462 26.502 43.705 1.00 0.00 C
ATOM 506 O GLU A 65 28.667 26.722 43.821 1.00 0.00 O
ATOM 507 CB GLU A 65 26.807 26.765 46.108 1.00 0.00 C
ATOM 508 CG GLU A 65 25.447 27.357 46.473 1.00 0.00 C
ATOM 509 CD GLU A 65 25.600 28.829 46.821 1.00 0.00 C
ATOM 510 OE1 GLU A 65 26.667 29.240 47.298 1.00 0.00 O
ATOM 511 OE2 GLU A 65 24.672 29.624 46.592 1.00 0.00 O
ATOM 512 N ILE A 66 26.758 26.696 42.613 1.00 0.00 N
ATOM 513 CA ILE A 66 27.288 27.172 41.354 1.00 0.00 C
ATOM 514 C ILE A 66 26.691 28.444 40.817 1.00 0.00 C
ATOM 515 O ILE A 66 25.485 28.545 40.579 1.00 0.00 O
ATOM 516 CB ILE A 66 27.376 26.092 40.320 1.00 0.00 C
ATOM 517 CG1 ILE A 66 27.046 26.554 38.913 1.00 0.00 C
ATOM 518 CG2 ILE A 66 26.614 24.836 40.691 1.00 0.00 C
ATOM 519 CD1 ILE A 66 27.407 25.493 37.862 1.00 0.00 C
ATOM 520 N CYS A 67 27.538 29.445 40.596 1.00 0.00 N
ATOM 521 CA CYS A 67 27.194 30.738 40.089 1.00 0.00 C
ATOM 522 C CYS A 67 26.012 31.383 40.762 1.00 0.00 C
ATOM 523 O CYS A 67 25.169 32.020 40.124 1.00 0.00 O
ATOM 524 CB CYS A 67 27.150 30.847 38.587 1.00 0.00 C
ATOM 525 SG CYS A 67 28.769 31.371 37.927 1.00 0.00 S
ATOM 526 N GLY A 68 25.939 31.217 42.074 1.00 0.00 N
ATOM 527 CA GLY A 68 24.890 31.781 42.905 1.00 0.00 C
ATOM 528 C GLY A 68 23.781 30.807 43.201 1.00 0.00 C
ATOM 529 O GLY A 68 23.010 30.979 44.145 1.00 0.00 O
ATOM 530 N HIS A 69 23.691 29.744 42.411 1.00 0.00 N
ATOM 531 CA HIS A 69 22.640 28.775 42.555 1.00 0.00 C
ATOM 532 C HIS A 69 22.913 27.605 43.418 1.00 0.00 C
ATOM 533 O HIS A 69 23.828 26.816 43.187 1.00 0.00 O
ATOM 534 CB HIS A 69 22.065 28.355 41.190 1.00 0.00 C
ATOM 535 CG HIS A 69 21.856 29.624 40.347 1.00 0.00 C
ATOM 536 ND1 HIS A 69 22.863 30.514 39.986 1.00 0.00 N
ATOM 537 CD2 HIS A 69 20.650 30.092 39.858 1.00 0.00 C
ATOM 538 CE1 HIS A 69 22.279 31.536 39.246 1.00 0.00 C
ATOM 539 NE2 HIS A 69 20.907 31.274 39.168 1.00 0.00 N
ATOM 540 N LYS A 70 22.074 27.416 44.457 1.00 0.00 N
ATOM 541 CA LYS A 70 22.262 26.191 45.278 1.00 0.00 C
ATOM 542 C LYS A 70 21.782 25.011 44.382 1.00 0.00 C
ATOM 543 O LYS A 70 20.942 25.253 43.525 1.00 0.00 O
ATOM 544 CB LYS A 70 21.318 26.244 46.473 1.00 0.00 C
ATOM 545 CG LYS A 70 21.562 27.482 47.288 1.00 0.00 C
ATOM 546 CD LYS A 70 22.673 27.260 48.301 1.00 0.00 C
ATOM 547 CE LYS A 70 23.194 28.612 48.784 1.00 0.00 C
ATOM 548 NZ LYS A 70 22.727 28.876 50.158 1.00 0.00 N
ATOM 549 N ALA A 71 22.334 23.859 44.605 1.00 0.00 N
ATOM 550 CA ALA A 71 21.983 22.645 43.877 1.00 0.00 C
ATOM 551 C ALA A 71 22.658 21.442 44.490 1.00 0.00 C
ATOM 552 O ALA A 71 23.861 21.430 44.697 1.00 0.00 O
ATOM 553 CB ALA A 71 22.285 22.744 42.407 1.00 0.00 C
ATOM 554 N ILE A 72 21.872 20.427 44.817 1.00 0.00 N
ATOM 555 CA ILE A 72 22.493 19.207 45.374 1.00 0.00 C
ATOM 556 C ILE A 72 22.404 18.111 44.307 1.00 0.00 C
ATOM 557 O ILE A 72 21.759 18.354 43.285 1.00 0.00 O
ATOM 558 CB ILE A 72 21.912 18.762 46.667 1.00 0.00 C
ATOM 559 CG1 ILE A 72 20.577 18.069 46.526 1.00 0.00 C
ATOM 560 CG2 ILE A 72 21.900 19.844 47.726 1.00 0.00 C
ATOM 561 CD1 ILE A 72 19.860 17.829 47.838 1.00 0.00 C
ATOM 562 N GLY A 73 23.016 17.002 44.553 1.00 0.00 N
ATOM 563 CA GLY A 73 23.064 15.867 43.600 1.00 0.00 C
ATOM 564 C GLY A 73 24.488 15.298 43.681 1.00 0.00 C
ATOM 565 O GLY A 73 25.314 15.880 44.399 1.00 0.00 O
ATOM 566 N THR A 74 24.748 14.223 42.981 1.00 0.00 N
ATOM 567 CA THR A 74 26.065 13.587 43.030 1.00 0.00 C
ATOM 568 C THR A 74 27.156 14.422 42.399 1.00 0.00 C
ATOM 569 O THR A 74 26.896 15.244 41.516 1.00 0.00 O
ATOM 570 CB THR A 74 25.977 12.203 42.433 1.00 0.00 C
ATOM 571 OG1 THR A 74 26.711 12.099 41.226 1.00 0.00 O
ATOM 572 CG2 THR A 74 24.514 11.918 42.145 1.00 0.00 C
ATOM 573 N VAL A 75 28.347 14.234 42.882 1.00 0.00 N
ATOM 574 CA VAL A 75 29.605 14.860 42.462 1.00 0.00 C
ATOM 575 C VAL A 75 30.663 13.740 42.531 1.00 0.00 C
ATOM 576 O VAL A 75 30.527 12.905 43.429 1.00 0.00 O
ATOM 577 CB VAL A 75 30.000 15.945 43.477 1.00 0.00 C
ATOM 578 CG1 VAL A 75 29.709 15.428 44.893 1.00 0.00 C
ATOM 579 CG2 VAL A 75 31.414 16.526 43.440 1.00 0.00 C
ATOM 580 N LEU A 76 31.582 13.682 41.623 1.00 0.00 N
ATOM 581 CA LEU A 76 32.594 12.572 41.623 1.00 0.00 C
ATOM 582 C LEU A 76 33.984 13.151 41.847 1.00 0.00 C
ATOM 583 O LEU A 76 34.318 14.175 41.246 1.00 0.00 O
ATOM 584 CB LEU A 76 32.558 11.919 40.237 1.00 0.00 C
ATOM 585 CG LEU A 76 31.701 10.659 40.265 1.00 0.00 C
ATOM 586 CD1 LEU A 76 30.224 11.006 40.178 1.00 0.00 C
ATOM 587 CD2 LEU A 76 32.101 9.653 39.196 1.00 0.00 C
ATOM 588 N VAL A 77 34.802 12.516 42.667 1.00 0.00 N
ATOM 589 CA VAL A 77 36.137 13.044 42.955 1.00 0.00 C
ATOM 590 C VAL A 77 37.271 12.161 42.602 1.00 0.00 C
ATOM 591 O VAL A 77 37.219 10.928 42.627 1.00 0.00 O
ATOM 592 CB VAL A 77 36.202 13.619 44.353 1.00 0.00 C
ATOM 593 CG1 VAL A 77 37.015 14.923 44.367 1.00 0.00 C
ATOM 594 CG2 VAL A 77 34.864 13.873 45.093 1.00 0.00 C
ATOM 595 N GLY A 78 38.405 12.763 42.192 1.00 0.00 N
ATOM 596 CA GLY A 78 39.553 11.924 41.793 1.00 0.00 C
ATOM 597 C GLY A 78 40.553 12.735 41.002 1.00 0.00 C
ATOM 598 O GLY A 78 40.331 13.911 40.724 1.00 0.00 O
ATOM 599 N PRO A 79 41.686 12.128 40.648 1.00 0.00 N
ATOM 600 CA PRO A 79 42.710 12.853 39.906 1.00 0.00 C
ATOM 601 C PRO A 79 42.230 13.298 38.542 1.00 0.00 C
ATOM 602 O PRO A 79 42.395 12.562 37.563 1.00 0.00 O
ATOM 603 CB PRO A 79 43.804 11.827 39.789 1.00 0.00 C
ATOM 604 CG PRO A 79 43.425 10.590 40.548 1.00 0.00 C