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3JZK.pdb
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1119 lines (1119 loc) · 88.5 KB
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HEADER LIGASE 23-SEP-09 3JZK
TITLE CRYSTAL STRUCTURE OF MDM2 WITH CHROMENOTRIAZOLOPYRIMIDINE 1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: MDM2 N-TERMINAL DOMAIN, RESIDUES 17-111;
COMPND 5 SYNONYM: P53-BINDING PROTEIN MDM2, ONCOPROTEIN MDM2, DOUBLE MINUTE 2
COMPND 6 PROTEIN, HDM2;
COMPND 7 EC: 6.3.2.-;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: MDM2;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS MDM2, P53, INHIBITOR, ALTERNATIVE SPLICING, CYTOPLASM, HOST-VIRUS
KEYWDS 2 INTERACTION, LIGASE, METAL-BINDING, NUCLEUS, PHOSPHOPROTEIN, PROTO-
KEYWDS 3 ONCOGENE, UBL CONJUGATION, UBL CONJUGATION PATHWAY, ZINC, ZINC-
KEYWDS 4 FINGER
EXPDTA X-RAY DIFFRACTION
AUTHOR X.HUANG
REVDAT 4 06-SEP-23 3JZK 1 REMARK
REVDAT 3 28-APR-10 3JZK 1 JRNL
REVDAT 2 24-NOV-09 3JZK 1 JRNL
REVDAT 1 17-NOV-09 3JZK 0
JRNL AUTH J.G.ALLEN,M.P.BOURBEAU,G.E.WOHLHIETER,M.D.BARTBERGER,
JRNL AUTH 2 K.MICHELSEN,R.HUNGATE,R.C.GADWOOD,R.D.GASTON,B.EVANS,
JRNL AUTH 3 L.W.MANN,M.E.MATISON,S.SCHNEIDER,X.HUANG,D.YU,P.S.ANDREWS,
JRNL AUTH 4 A.REICHELT,A.M.LONG,P.YAKOWEC,E.Y.YANG,T.A.LEE,J.D.OLINER
JRNL TITL DISCOVERY AND OPTIMIZATION OF CHROMENOTRIAZOLOPYRIMIDINES AS
JRNL TITL 2 POTENT INHIBITORS OF THE MOUSE DOUBLE MINUTE 2-TUMOR PROTEIN
JRNL TITL 3 53 PROTEIN-PROTEIN INTERACTION.
JRNL REF J.MED.CHEM. V. 52 7044 2009
JRNL REFN ISSN 0022-2623
JRNL PMID 19856920
JRNL DOI 10.1021/JM900681H
REMARK 2
REMARK 2 RESOLUTION. 2.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
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 : 5900
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.300
REMARK 3 FREE R VALUE : 0.320
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : 279
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 : 753
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 31
REMARK 3 SOLVENT ATOMS : 45
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) : 0.011
REMARK 3 BOND ANGLES (DEGREES) : 1.730
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 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : NULL
REMARK 3 BSOL : 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 3JZK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-SEP-09.
REMARK 100 THE DEPOSITION ID IS D_1000055357.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 7.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU FR-E DW
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5900
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4
REMARK 200 DATA REDUNDANCY : 3.730
REMARK 200 R MERGE (I) : 0.05900
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 19.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18
REMARK 200 COMPLETENESS FOR SHELL (%) : 82.0
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.29000
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.800
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: PDB ENTRY 1T4E
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 42.90
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.4 M (NH4)2SO4, PH 7.0, VAPOR
REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277K
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 80.62550
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 17.26500
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 17.26500
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 40.31275
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 17.26500
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 17.26500
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 120.93825
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 17.26500
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 17.26500
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 40.31275
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 17.26500
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 17.26500
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 120.93825
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 80.62550
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 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A MONOMER AS OBSERVED
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: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 GLY A 16
REMARK 465 SER A 17
REMARK 465 ASN A 111
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 GLN A 18 CG CD OE1 NE2
REMARK 470 GLN A 44 CG CD OE1 NE2
REMARK 470 LYS A 45 CG CD CE NZ
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 30 C - N - CA ANGL. DEV. = 14.8 DEGREES
REMARK 500 PRO A 32 C - N - CA ANGL. DEV. = 10.9 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 PRO A 32 -44.70 -7.08
REMARK 500 GLN A 44 17.91 -160.00
REMARK 500 GLN A 72 5.50 -50.42
REMARK 500 CYS A 77 17.94 -143.96
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE YIN A 1
DBREF 3JZK A 17 111 UNP Q00987 MDM2_HUMAN 17 111
SEQADV 3JZK GLY A 16 UNP Q00987 EXPRESSION TAG
SEQRES 1 A 96 GLY SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL
SEQRES 2 A 96 ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL
SEQRES 3 A 96 GLY ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU
SEQRES 4 A 96 PHE TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR
SEQRES 5 A 96 ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP
SEQRES 6 A 96 LEU LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL
SEQRES 7 A 96 LYS GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN
SEQRES 8 A 96 LEU VAL VAL VAL ASN
HET YIN A 1 31
HETNAM YIN (6R,7S)-6,7-BIS(4-BROMOPHENYL)-7,11-DIHYDRO-6H-
HETNAM 2 YIN CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
HETSYN YIN CHROMENOTRIAZOLOPYRIMIDINE 1
FORMUL 2 YIN C24 H16 BR2 N4 O
FORMUL 3 HOH *45(H2 O)
HELIX 1 1 LEU A 33 SER A 40 1 8
HELIX 2 2 THR A 49 LYS A 64 1 16
HELIX 3 3 ASP A 80 GLY A 87 1 8
HELIX 4 4 GLU A 95 ARG A 105 1 11
SHEET 1 A 2 ARG A 29 PRO A 30 0
SHEET 2 A 2 LEU A 107 VAL A 108 -1 O VAL A 108 N ARG A 29
SHEET 1 B 2 ILE A 74 TYR A 76 0
SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75
SITE 1 AC1 11 LEU A 54 GLY A 58 ILE A 61 MET A 62
SITE 2 AC1 11 TYR A 76 SER A 78 ASN A 79 PRO A 89
SITE 3 AC1 11 VAL A 93 HIS A 96 TYR A 100
CRYST1 34.530 34.530 161.251 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 0.028960 0.000000 0.000000 0.00000
SCALE2 0.000000 0.028960 0.000000 0.00000
SCALE3 0.000000 0.000000 0.006202 0.00000
ATOM 1 N GLN A 18 16.682 -17.097 31.695 1.00 55.89 N
ATOM 2 CA GLN A 18 17.469 -16.717 32.900 1.00 55.80 C
ATOM 3 C GLN A 18 16.661 -16.628 34.199 1.00 54.60 C
ATOM 4 O GLN A 18 17.083 -15.968 35.176 1.00 55.05 O
ATOM 5 CB GLN A 18 18.194 -15.376 32.627 1.00 55.63 C
ATOM 6 N ILE A 19 15.497 -17.276 34.208 1.00 53.76 N
ATOM 7 CA ILE A 19 14.633 -17.263 35.384 1.00 53.27 C
ATOM 8 C ILE A 19 14.516 -18.700 35.911 1.00 54.09 C
ATOM 9 O ILE A 19 14.060 -19.579 35.200 1.00 54.16 O
ATOM 10 CB ILE A 19 13.229 -16.649 35.037 1.00 51.52 C
ATOM 11 CG1 ILE A 19 13.430 -15.176 34.663 1.00 50.68 C
ATOM 12 CG2 ILE A 19 12.272 -16.796 36.214 1.00 50.43 C
ATOM 13 CD1 ILE A 19 12.262 -14.483 34.113 1.00 50.51 C
ATOM 14 N PRO A 20 14.948 -18.962 37.163 1.00 55.90 N
ATOM 15 CA PRO A 20 14.860 -20.318 37.733 1.00 55.73 C
ATOM 16 C PRO A 20 13.413 -20.844 37.545 1.00 55.34 C
ATOM 17 O PRO A 20 12.455 -20.089 37.716 1.00 54.24 O
ATOM 18 CB PRO A 20 15.210 -20.074 39.209 1.00 55.86 C
ATOM 19 CG PRO A 20 16.236 -18.933 39.102 1.00 56.85 C
ATOM 20 CD PRO A 20 15.476 -18.016 38.164 1.00 56.54 C
ATOM 21 N ALA A 21 13.260 -22.129 37.217 1.00 55.83 N
ATOM 22 CA ALA A 21 11.950 -22.756 37.006 1.00 55.53 C
ATOM 23 C ALA A 21 11.054 -22.695 38.245 1.00 55.41 C
ATOM 24 O ALA A 21 9.834 -22.814 38.151 1.00 55.66 O
ATOM 25 CB ALA A 21 12.149 -24.192 36.553 1.00 56.12 C
ATOM 26 N SER A 22 11.667 -22.482 39.400 1.00 56.60 N
ATOM 27 CA SER A 22 10.939 -22.373 40.650 1.00 57.01 C
ATOM 28 C SER A 22 10.243 -21.005 40.704 1.00 56.64 C
ATOM 29 O SER A 22 9.423 -20.762 41.589 1.00 56.63 O
ATOM 30 CB SER A 22 11.908 -22.507 41.827 1.00 57.76 C
ATOM 31 OG SER A 22 12.680 -21.336 41.967 1.00 59.72 O
ATOM 32 N GLU A 23 10.552 -20.102 39.769 1.00 55.37 N
ATOM 33 CA GLU A 23 9.903 -18.785 39.803 1.00 54.75 C
ATOM 34 C GLU A 23 8.750 -18.645 38.802 1.00 55.11 C
ATOM 35 O GLU A 23 7.837 -17.834 39.031 1.00 55.60 O
ATOM 36 CB GLU A 23 10.917 -17.647 39.590 1.00 52.52 C
ATOM 37 CG GLU A 23 10.273 -16.246 39.530 1.00 49.19 C
ATOM 38 CD GLU A 23 11.272 -15.115 39.466 1.00 47.80 C
ATOM 39 OE1 GLU A 23 12.426 -15.387 39.080 1.00 51.81 O
ATOM 40 OE2 GLU A 23 10.902 -13.961 39.784 1.00 42.98 O
ATOM 41 N GLN A 24 8.781 -19.426 37.711 1.00 56.34 N
ATOM 42 CA GLN A 24 7.708 -19.394 36.695 1.00 57.12 C
ATOM 43 C GLN A 24 6.465 -20.215 37.024 1.00 57.82 C
ATOM 44 O GLN A 24 5.509 -20.290 36.244 1.00 58.73 O
ATOM 45 CB GLN A 24 8.245 -19.764 35.285 1.00 57.01 C
ATOM 46 CG GLN A 24 9.295 -20.867 35.161 1.00 57.42 C
ATOM 47 CD GLN A 24 10.070 -20.707 33.851 1.00 57.46 C
ATOM 48 OE1 GLN A 24 10.896 -19.801 33.721 1.00 58.69 O
ATOM 49 NE2 GLN A 24 9.765 -21.545 32.863 1.00 56.05 N
ATOM 50 N GLU A 25 6.498 -20.830 38.192 1.00 57.58 N
ATOM 51 CA GLU A 25 5.386 -21.637 38.642 1.00 58.87 C
ATOM 52 C GLU A 25 4.696 -20.891 39.753 1.00 58.32 C
ATOM 53 O GLU A 25 3.701 -21.335 40.322 1.00 58.30 O
ATOM 54 CB GLU A 25 5.871 -23.011 39.115 1.00 60.08 C
ATOM 55 CG GLU A 25 5.836 -24.051 38.018 1.00 62.79 C
ATOM 56 CD GLU A 25 6.972 -25.029 38.095 1.00 65.29 C
ATOM 57 OE1 GLU A 25 7.722 -25.011 39.099 1.00 66.21 O
ATOM 58 OE2 GLU A 25 7.109 -25.824 37.137 1.00 67.05 O
ATOM 59 N THR A 26 5.221 -19.712 40.041 1.00 58.55 N
ATOM 60 CA THR A 26 4.649 -18.905 41.093 1.00 57.61 C
ATOM 61 C THR A 26 3.198 -18.662 40.802 1.00 56.42 C
ATOM 62 O THR A 26 2.845 -17.939 39.872 1.00 56.31 O
ATOM 63 CB THR A 26 5.322 -17.547 41.230 1.00 57.86 C
ATOM 64 OG1 THR A 26 6.629 -17.718 41.790 1.00 57.47 O
ATOM 65 CG2 THR A 26 4.503 -16.656 42.154 1.00 58.24 C
ATOM 66 N LEU A 27 2.351 -19.281 41.606 1.00 55.48 N
ATOM 67 CA LEU A 27 0.938 -19.105 41.426 1.00 54.22 C
ATOM 68 C LEU A 27 0.692 -17.613 41.556 1.00 52.24 C
ATOM 69 O LEU A 27 1.154 -16.960 42.501 1.00 52.70 O
ATOM 70 CB LEU A 27 0.171 -19.893 42.488 1.00 54.63 C
ATOM 71 CG LEU A 27 -1.247 -20.268 42.063 1.00 54.90 C
ATOM 72 CD1 LEU A 27 -1.210 -20.831 40.653 1.00 55.38 C
ATOM 73 CD2 LEU A 27 -1.835 -21.273 43.037 1.00 54.48 C
ATOM 74 N VAL A 28 -0.009 -17.066 40.575 1.00 51.23 N
ATOM 75 CA VAL A 28 -0.325 -15.638 40.551 1.00 50.85 C
ATOM 76 C VAL A 28 -1.693 -15.426 39.927 1.00 51.81 C
ATOM 77 O VAL A 28 -2.290 -16.357 39.397 1.00 53.31 O
ATOM 78 CB VAL A 28 0.668 -14.861 39.675 1.00 49.86 C
ATOM 79 CG1 VAL A 28 2.074 -15.009 40.193 1.00 49.24 C
ATOM 80 CG2 VAL A 28 0.560 -15.338 38.257 1.00 48.87 C
ATOM 81 N ARG A 29 -2.178 -14.193 40.008 1.00 54.63 N
ATOM 82 CA ARG A 29 -3.432 -13.819 39.406 1.00 56.34 C
ATOM 83 C ARG A 29 -3.391 -12.322 39.050 1.00 57.87 C
ATOM 84 O ARG A 29 -3.164 -11.457 39.900 1.00 58.06 O
ATOM 85 CB ARG A 29 -4.631 -14.188 40.316 1.00 58.06 C
ATOM 86 CG ARG A 29 -4.622 -13.588 41.740 1.00 59.86 C
ATOM 87 CD ARG A 29 -6.068 -13.464 42.277 1.00 60.97 C
ATOM 88 NE ARG A 29 -6.458 -14.481 43.263 1.00 60.94 N
ATOM 89 CZ ARG A 29 -7.662 -15.053 43.349 1.00 61.43 C
ATOM 90 NH1 ARG A 29 -8.622 -14.747 42.483 1.00 62.16 N
ATOM 91 NH2 ARG A 29 -7.943 -15.871 44.364 1.00 61.97 N
ATOM 92 N PRO A 30 -3.583 -12.016 37.759 1.00 59.40 N
ATOM 93 CA PRO A 30 -3.620 -10.755 36.999 1.00 60.32 C
ATOM 94 C PRO A 30 -4.708 -9.756 37.391 1.00 61.05 C
ATOM 95 O PRO A 30 -5.839 -10.118 37.765 1.00 61.39 O
ATOM 96 CB PRO A 30 -3.818 -11.222 35.549 1.00 59.81 C
ATOM 97 CG PRO A 30 -3.249 -12.601 35.561 1.00 60.71 C
ATOM 98 CD PRO A 30 -3.767 -13.152 36.841 1.00 59.42 C
ATOM 99 N LYS A 31 -4.352 -8.488 37.252 1.00 62.18 N
ATOM 100 CA LYS A 31 -5.260 -7.424 37.579 1.00 63.40 C
ATOM 101 C LYS A 31 -6.212 -7.193 36.415 1.00 63.84 C
ATOM 102 O LYS A 31 -5.905 -7.495 35.265 1.00 64.10 O
ATOM 103 CB LYS A 31 -4.489 -6.140 37.914 1.00 64.49 C
ATOM 104 CG LYS A 31 -3.607 -6.262 39.162 1.00 65.64 C
ATOM 105 CD LYS A 31 -2.871 -4.949 39.496 1.00 67.48 C
ATOM 106 CE LYS A 31 -2.020 -5.087 40.771 1.00 68.93 C
ATOM 107 NZ LYS A 31 -1.189 -3.875 41.067 1.00 70.01 N
ATOM 108 N PRO A 32 -7.409 -6.673 36.717 1.00 64.39 N
ATOM 109 CA PRO A 32 -8.537 -6.336 35.851 1.00 64.94 C
ATOM 110 C PRO A 32 -8.414 -6.413 34.314 1.00 65.74 C
ATOM 111 O PRO A 32 -9.293 -6.973 33.654 1.00 66.93 O
ATOM 112 CB PRO A 32 -8.907 -4.943 36.369 1.00 64.32 C
ATOM 113 CG PRO A 32 -8.795 -5.145 37.873 1.00 64.59 C
ATOM 114 CD PRO A 32 -7.657 -6.148 38.077 1.00 64.74 C
ATOM 115 N LEU A 33 -7.315 -5.903 33.759 1.00 65.52 N
ATOM 116 CA LEU A 33 -7.121 -5.885 32.309 1.00 65.36 C
ATOM 117 C LEU A 33 -5.848 -6.571 31.764 1.00 63.84 C
ATOM 118 O LEU A 33 -5.642 -6.640 30.549 1.00 63.16 O
ATOM 119 CB LEU A 33 -7.256 -4.424 31.788 1.00 66.41 C
ATOM 120 CG LEU A 33 -6.362 -3.278 32.265 1.00 67.73 C
ATOM 121 CD1 LEU A 33 -7.015 -1.951 31.871 1.00 67.38 C
ATOM 122 CD2 LEU A 33 -6.191 -3.331 33.764 1.00 67.70 C
ATOM 123 N LEU A 34 -4.962 -7.003 32.659 1.00 62.22 N
ATOM 124 CA LEU A 34 -3.788 -7.762 32.244 1.00 61.39 C
ATOM 125 C LEU A 34 -4.470 -9.126 32.124 1.00 61.00 C
ATOM 126 O LEU A 34 -3.911 -10.088 31.608 1.00 59.52 O
ATOM 127 CB LEU A 34 -2.715 -7.858 33.337 1.00 60.34 C
ATOM 128 CG LEU A 34 -1.856 -9.152 33.242 1.00 59.41 C
ATOM 129 CD1 LEU A 34 -1.140 -9.184 31.891 1.00 58.95 C
ATOM 130 CD2 LEU A 34 -0.866 -9.271 34.386 1.00 58.47 C
ATOM 131 N LEU A 35 -5.706 -9.169 32.621 1.00 61.88 N
ATOM 132 CA LEU A 35 -6.559 -10.354 32.595 1.00 62.55 C
ATOM 133 C LEU A 35 -7.318 -10.262 31.281 1.00 62.89 C
ATOM 134 O LEU A 35 -7.493 -11.259 30.570 1.00 63.32 O
ATOM 135 CB LEU A 35 -7.559 -10.309 33.751 1.00 63.04 C
ATOM 136 CG LEU A 35 -8.117 -11.639 34.249 1.00 63.10 C
ATOM 137 CD1 LEU A 35 -9.508 -11.424 34.821 1.00 63.99 C
ATOM 138 CD2 LEU A 35 -8.165 -12.629 33.100 1.00 62.89 C
ATOM 139 N LYS A 36 -7.766 -9.046 30.970 1.00 63.27 N
ATOM 140 CA LYS A 36 -8.492 -8.781 29.739 1.00 63.54 C
ATOM 141 C LYS A 36 -7.607 -9.165 28.576 1.00 63.52 C
ATOM 142 O LYS A 36 -8.065 -9.709 27.571 1.00 64.30 O
ATOM 143 CB LYS A 36 -8.828 -7.299 29.618 1.00 64.78 C
ATOM 144 CG LYS A 36 -9.217 -6.898 28.195 1.00 65.75 C
ATOM 145 CD LYS A 36 -9.374 -5.400 28.038 1.00 66.95 C
ATOM 146 CE LYS A 36 -10.777 -4.933 28.412 1.00 68.14 C
ATOM 147 NZ LYS A 36 -11.234 -5.487 29.713 1.00 69.61 N
ATOM 148 N LEU A 37 -6.328 -8.835 28.720 1.00 62.81 N
ATOM 149 CA LEU A 37 -5.317 -9.128 27.717 1.00 60.94 C
ATOM 150 C LEU A 37 -5.264 -10.637 27.506 1.00 59.69 C
ATOM 151 O LEU A 37 -5.318 -11.117 26.374 1.00 59.67 O
ATOM 152 CB LEU A 37 -3.946 -8.628 28.206 1.00 62.36 C
ATOM 153 CG LEU A 37 -2.713 -8.543 27.289 1.00 63.33 C
ATOM 154 CD1 LEU A 37 -2.439 -9.877 26.610 1.00 63.88 C
ATOM 155 CD2 LEU A 37 -2.938 -7.457 26.250 1.00 64.95 C
ATOM 156 N LEU A 38 -5.178 -11.383 28.601 1.00 57.67 N
ATOM 157 CA LEU A 38 -5.083 -12.834 28.514 1.00 57.13 C
ATOM 158 C LEU A 38 -6.305 -13.536 27.927 1.00 57.78 C
ATOM 159 O LEU A 38 -6.175 -14.368 27.032 1.00 58.11 O
ATOM 160 CB LEU A 38 -4.778 -13.423 29.888 1.00 55.26 C
ATOM 161 CG LEU A 38 -3.614 -12.787 30.641 1.00 54.23 C
ATOM 162 CD1 LEU A 38 -3.460 -13.475 31.975 1.00 52.42 C
ATOM 163 CD2 LEU A 38 -2.335 -12.879 29.816 1.00 53.96 C
ATOM 164 N LYS A 39 -7.493 -13.218 28.427 1.00 58.85 N
ATOM 165 CA LYS A 39 -8.696 -13.870 27.921 1.00 59.42 C
ATOM 166 C LYS A 39 -9.000 -13.501 26.477 1.00 59.79 C
ATOM 167 O LYS A 39 -9.710 -14.239 25.783 1.00 61.90 O
ATOM 168 CB LYS A 39 -9.893 -13.555 28.824 1.00 60.16 C
ATOM 169 CG LYS A 39 -9.756 -14.145 30.235 1.00 60.83 C
ATOM 170 CD LYS A 39 -10.924 -13.785 31.129 1.00 60.88 C
ATOM 171 CE LYS A 39 -10.843 -14.500 32.462 1.00 60.67 C
ATOM 172 NZ LYS A 39 -12.034 -14.204 33.328 1.00 62.02 N
ATOM 173 N SER A 40 -8.452 -12.381 26.009 1.00 58.62 N
ATOM 174 CA SER A 40 -8.692 -11.969 24.633 1.00 58.32 C
ATOM 175 C SER A 40 -7.937 -12.869 23.657 1.00 57.85 C
ATOM 176 O SER A 40 -8.192 -12.849 22.449 1.00 58.05 O
ATOM 177 CB SER A 40 -8.263 -10.519 24.423 1.00 59.96 C
ATOM 178 OG SER A 40 -6.851 -10.411 24.349 1.00 61.88 O
ATOM 179 N VAL A 41 -6.999 -13.650 24.175 1.00 56.86 N
ATOM 180 CA VAL A 41 -6.230 -14.550 23.333 1.00 56.19 C
ATOM 181 C VAL A 41 -6.512 -16.013 23.663 1.00 56.32 C
ATOM 182 O VAL A 41 -5.737 -16.891 23.299 1.00 55.82 O
ATOM 183 CB VAL A 41 -4.701 -14.271 23.445 1.00 55.56 C
ATOM 184 CG1 VAL A 41 -4.382 -12.939 22.801 1.00 56.04 C
ATOM 185 CG2 VAL A 41 -4.254 -14.269 24.899 1.00 53.97 C
ATOM 186 N GLY A 42 -7.614 -16.265 24.367 1.00 57.37 N
ATOM 187 CA GLY A 42 -7.990 -17.630 24.696 1.00 59.10 C
ATOM 188 C GLY A 42 -7.927 -18.085 26.147 1.00 61.11 C
ATOM 189 O GLY A 42 -7.958 -19.282 26.417 1.00 60.67 O
ATOM 190 N ALA A 43 -7.825 -17.159 27.093 1.00 62.54 N
ATOM 191 CA ALA A 43 -7.773 -17.528 28.511 1.00 63.13 C
ATOM 192 C ALA A 43 -9.195 -17.737 29.042 1.00 63.73 C
ATOM 193 O ALA A 43 -10.166 -17.302 28.416 1.00 63.55 O
ATOM 194 CB ALA A 43 -7.092 -16.432 29.306 1.00 64.23 C
ATOM 195 N GLN A 44 -9.313 -18.420 30.182 1.00 64.54 N
ATOM 196 CA GLN A 44 -10.610 -18.666 30.821 1.00 65.09 C
ATOM 197 C GLN A 44 -10.454 -19.016 32.304 1.00 64.71 C
ATOM 198 O GLN A 44 -11.366 -19.581 32.914 1.00 66.08 O
ATOM 199 CB GLN A 44 -11.398 -19.780 30.075 1.00 65.53 C
ATOM 200 N LYS A 45 -9.297 -18.700 32.883 1.00 63.42 N
ATOM 201 CA LYS A 45 -9.080 -18.957 34.312 1.00 62.57 C
ATOM 202 C LYS A 45 -8.705 -17.614 34.943 1.00 62.23 C
ATOM 203 O LYS A 45 -8.477 -16.640 34.226 1.00 62.93 O
ATOM 204 CB LYS A 45 -7.967 -19.982 34.518 1.00 63.34 C
ATOM 205 N ASP A 46 -8.657 -17.540 36.266 1.00 60.73 N
ATOM 206 CA ASP A 46 -8.326 -16.278 36.910 1.00 58.97 C
ATOM 207 C ASP A 46 -7.052 -16.385 37.712 1.00 58.20 C
ATOM 208 O ASP A 46 -6.501 -15.395 38.174 1.00 56.48 O
ATOM 209 CB ASP A 46 -9.486 -15.822 37.804 1.00 59.31 C
ATOM 210 CG ASP A 46 -10.668 -15.313 37.008 1.00 59.71 C
ATOM 211 OD1 ASP A 46 -10.681 -15.495 35.774 1.00 61.18 O
ATOM 212 OD2 ASP A 46 -11.588 -14.738 37.622 1.00 59.70 O
ATOM 213 N THR A 47 -6.571 -17.603 37.866 1.00 58.64 N
ATOM 214 CA THR A 47 -5.354 -17.809 38.611 1.00 58.01 C
ATOM 215 C THR A 47 -4.418 -18.608 37.731 1.00 56.75 C
ATOM 216 O THR A 47 -4.745 -19.719 37.302 1.00 54.59 O
ATOM 217 CB THR A 47 -5.629 -18.532 39.898 1.00 59.40 C
ATOM 218 OG1 THR A 47 -6.676 -17.845 40.601 1.00 63.31 O
ATOM 219 CG2 THR A 47 -4.369 -18.555 40.749 1.00 60.11 C
ATOM 220 N TYR A 48 -3.258 -18.012 37.453 1.00 55.94 N
ATOM 221 CA TYR A 48 -2.262 -18.606 36.566 1.00 54.40 C
ATOM 222 C TYR A 48 -0.908 -18.725 37.176 1.00 53.94 C
ATOM 223 O TYR A 48 -0.616 -18.117 38.191 1.00 55.55 O
ATOM 224 CB TYR A 48 -2.064 -17.750 35.318 1.00 53.16 C
ATOM 225 CG TYR A 48 -3.314 -17.446 34.552 1.00 53.36 C
ATOM 226 CD1 TYR A 48 -4.263 -16.535 35.025 1.00 52.80 C
ATOM 227 CD2 TYR A 48 -3.565 -18.097 33.362 1.00 54.46 C
ATOM 228 CE1 TYR A 48 -5.441 -16.293 34.312 1.00 52.88 C
ATOM 229 CE2 TYR A 48 -4.720 -17.869 32.653 1.00 55.09 C
ATOM 230 CZ TYR A 48 -5.655 -16.972 33.126 1.00 54.14 C
ATOM 231 OH TYR A 48 -6.804 -16.778 32.402 1.00 56.29 O
ATOM 232 N THR A 49 -0.059 -19.493 36.508 1.00 53.73 N
ATOM 233 CA THR A 49 1.332 -19.649 36.923 1.00 52.61 C
ATOM 234 C THR A 49 2.063 -18.656 36.006 1.00 51.14 C
ATOM 235 O THR A 49 1.500 -18.224 34.989 1.00 49.59 O
ATOM 236 CB THR A 49 1.827 -21.083 36.687 1.00 52.16 C
ATOM 237 OG1 THR A 49 1.871 -21.362 35.281 1.00 49.43 O
ATOM 238 CG2 THR A 49 0.857 -22.055 37.344 1.00 54.38 C
ATOM 239 N MET A 50 3.292 -18.279 36.354 1.00 50.66 N
ATOM 240 CA MET A 50 4.022 -17.296 35.551 1.00 49.98 C
ATOM 241 C MET A 50 4.188 -17.657 34.087 1.00 48.51 C
ATOM 242 O MET A 50 4.019 -16.805 33.224 1.00 48.56 O
ATOM 243 CB MET A 50 5.384 -16.971 36.184 1.00 48.28 C
ATOM 244 CG MET A 50 5.277 -16.022 37.374 1.00 48.09 C
ATOM 245 SD MET A 50 4.204 -14.601 37.043 1.00 49.31 S
ATOM 246 CE MET A 50 5.346 -13.424 36.251 1.00 48.21 C
ATOM 247 N LYS A 51 4.487 -18.912 33.784 1.00 49.09 N
ATOM 248 CA LYS A 51 4.652 -19.255 32.383 1.00 48.77 C
ATOM 249 C LYS A 51 3.349 -19.356 31.624 1.00 47.19 C
ATOM 250 O LYS A 51 3.339 -19.219 30.408 1.00 47.71 O
ATOM 251 CB LYS A 51 5.481 -20.530 32.221 1.00 50.28 C
ATOM 252 CG LYS A 51 5.122 -21.661 33.153 1.00 51.70 C
ATOM 253 CD LYS A 51 6.059 -22.802 32.799 1.00 53.65 C
ATOM 254 CE LYS A 51 5.982 -23.991 33.733 1.00 55.01 C
ATOM 255 NZ LYS A 51 6.928 -25.028 33.233 1.00 56.19 N
ATOM 256 N GLU A 52 2.249 -19.612 32.326 1.00 45.25 N
ATOM 257 CA GLU A 52 0.968 -19.661 31.634 1.00 44.17 C
ATOM 258 C GLU A 52 0.805 -18.234 31.115 1.00 41.87 C
ATOM 259 O GLU A 52 0.595 -18.007 29.924 1.00 42.79 O
ATOM 260 CB GLU A 52 -0.204 -20.017 32.577 1.00 45.44 C
ATOM 261 CG GLU A 52 -0.134 -21.408 33.173 1.00 48.06 C
ATOM 262 CD GLU A 52 -1.467 -21.970 33.602 1.00 48.12 C
ATOM 263 OE1 GLU A 52 -2.383 -21.205 33.971 1.00 52.72 O
ATOM 264 OE2 GLU A 52 -1.589 -23.207 33.566 1.00 50.08 O
ATOM 265 N VAL A 53 0.921 -17.274 32.028 1.00 40.24 N
ATOM 266 CA VAL A 53 0.817 -15.855 31.696 1.00 40.97 C
ATOM 267 C VAL A 53 1.736 -15.490 30.529 1.00 40.74 C
ATOM 268 O VAL A 53 1.292 -14.922 29.521 1.00 40.66 O
ATOM 269 CB VAL A 53 1.210 -14.972 32.906 1.00 41.86 C
ATOM 270 CG1 VAL A 53 1.179 -13.500 32.505 1.00 41.06 C
ATOM 271 CG2 VAL A 53 0.267 -15.234 34.085 1.00 41.38 C
ATOM 272 N LEU A 54 3.016 -15.830 30.664 1.00 38.98 N
ATOM 273 CA LEU A 54 3.982 -15.518 29.615 1.00 38.74 C
ATOM 274 C LEU A 54 3.628 -16.184 28.274 1.00 38.12 C
ATOM 275 O LEU A 54 3.740 -15.569 27.223 1.00 38.20 O
ATOM 276 CB LEU A 54 5.401 -15.877 30.079 1.00 39.34 C
ATOM 277 CG LEU A 54 6.117 -14.777 30.897 1.00 40.01 C
ATOM 278 CD1 LEU A 54 6.373 -13.574 30.010 1.00 37.18 C
ATOM 279 CD2 LEU A 54 5.286 -14.371 32.107 1.00 40.79 C
ATOM 280 N PHE A 55 3.159 -17.428 28.326 1.00 39.01 N
ATOM 281 CA PHE A 55 2.743 -18.163 27.135 1.00 38.50 C
ATOM 282 C PHE A 55 1.607 -17.412 26.432 1.00 37.43 C
ATOM 283 O PHE A 55 1.608 -17.264 25.223 1.00 37.93 O
ATOM 284 CB PHE A 55 2.207 -19.565 27.480 1.00 37.37 C
ATOM 285 CG PHE A 55 1.432 -20.199 26.334 1.00 38.50 C
ATOM 286 CD1 PHE A 55 2.103 -20.606 25.178 1.00 38.04 C
ATOM 287 CD2 PHE A 55 0.028 -20.265 26.347 1.00 39.20 C
ATOM 288 CE1 PHE A 55 1.407 -21.056 24.059 1.00 39.74 C
ATOM 289 CE2 PHE A 55 -0.684 -20.719 25.215 1.00 40.39 C
ATOM 290 CZ PHE A 55 0.010 -21.110 24.076 1.00 38.39 C
ATOM 291 N TYR A 56 0.610 -16.973 27.192 1.00 36.66 N
ATOM 292 CA TYR A 56 -0.519 -16.267 26.589 1.00 37.55 C
ATOM 293 C TYR A 56 -0.041 -14.909 26.054 1.00 36.96 C
ATOM 294 O TYR A 56 -0.376 -14.538 24.930 1.00 37.65 O
ATOM 295 CB TYR A 56 -1.677 -16.112 27.601 1.00 37.14 C
ATOM 296 CG TYR A 56 -2.517 -17.379 27.835 1.00 41.52 C
ATOM 297 CD1 TYR A 56 -3.387 -17.870 26.846 1.00 42.33 C
ATOM 298 CD2 TYR A 56 -2.433 -18.094 29.043 1.00 41.49 C
ATOM 299 CE1 TYR A 56 -4.149 -19.039 27.056 1.00 40.86 C
ATOM 300 CE2 TYR A 56 -3.185 -19.252 29.258 1.00 42.66 C
ATOM 301 CZ TYR A 56 -4.040 -19.723 28.266 1.00 43.95 C
ATOM 302 OH TYR A 56 -4.769 -20.876 28.506 1.00 44.34 O
ATOM 303 N LEU A 57 0.765 -14.187 26.832 1.00 38.03 N
ATOM 304 CA LEU A 57 1.288 -12.895 26.384 1.00 39.38 C
ATOM 305 C LEU A 57 2.092 -13.112 25.116 1.00 40.67 C
ATOM 306 O LEU A 57 2.199 -12.222 24.278 1.00 40.87 O
ATOM 307 CB LEU A 57 2.191 -12.284 27.445 1.00 39.57 C
ATOM 308 CG LEU A 57 1.453 -11.562 28.566 1.00 38.28 C
ATOM 309 CD1 LEU A 57 2.414 -11.244 29.688 1.00 36.97 C
ATOM 310 CD2 LEU A 57 0.822 -10.293 28.018 1.00 40.26 C
ATOM 311 N GLY A 58 2.661 -14.307 24.988 1.00 41.04 N
ATOM 312 CA GLY A 58 3.439 -14.627 23.811 1.00 39.45 C
ATOM 313 C GLY A 58 2.513 -14.788 22.623 1.00 38.80 C
ATOM 314 O GLY A 58 2.785 -14.301 21.525 1.00 37.50 O
ATOM 315 N GLN A 59 1.408 -15.485 22.840 1.00 39.14 N
ATOM 316 CA GLN A 59 0.431 -15.679 21.779 1.00 40.00 C
ATOM 317 C GLN A 59 -0.098 -14.319 21.360 1.00 40.57 C
ATOM 318 O GLN A 59 -0.323 -14.060 20.178 1.00 39.91 O
ATOM 319 CB GLN A 59 -0.713 -16.564 22.270 1.00 42.55 C
ATOM 320 CG GLN A 59 -0.287 -18.010 22.408 1.00 43.16 C
ATOM 321 CD GLN A 59 0.413 -18.489 21.155 1.00 44.31 C
ATOM 322 OE1 GLN A 59 -0.135 -18.389 20.059 1.00 46.66 O
ATOM 323 NE2 GLN A 59 1.630 -18.999 21.302 1.00 43.50 N
ATOM 324 N TYR A 60 -0.276 -13.451 22.349 1.00 40.31 N
ATOM 325 CA TYR A 60 -0.759 -12.100 22.122 1.00 39.95 C
ATOM 326 C TYR A 60 0.176 -11.300 21.207 1.00 40.26 C
ATOM 327 O TYR A 60 -0.268 -10.618 20.272 1.00 38.41 O
ATOM 328 CB TYR A 60 -0.883 -11.377 23.454 1.00 39.86 C
ATOM 329 CG TYR A 60 -1.362 -9.963 23.317 1.00 37.60 C
ATOM 330 CD1 TYR A 60 -2.701 -9.695 23.072 1.00 37.46 C
ATOM 331 CD2 TYR A 60 -0.477 -8.886 23.437 1.00 38.52 C
ATOM 332 CE1 TYR A 60 -3.162 -8.395 22.955 1.00 39.49 C
ATOM 333 CE2 TYR A 60 -0.925 -7.569 23.319 1.00 37.88 C
ATOM 334 CZ TYR A 60 -2.280 -7.335 23.077 1.00 39.69 C
ATOM 335 OH TYR A 60 -2.782 -6.061 22.954 1.00 39.37 O
ATOM 336 N ILE A 61 1.471 -11.366 21.498 1.00 39.94 N
ATOM 337 CA ILE A 61 2.443 -10.643 20.698 1.00 38.95 C
ATOM 338 C ILE A 61 2.461 -11.192 19.281 1.00 40.33 C
ATOM 339 O ILE A 61 2.524 -10.457 18.297 1.00 38.44 O
ATOM 340 CB ILE A 61 3.842 -10.776 21.302 1.00 39.24 C
ATOM 341 CG1 ILE A 61 3.884 -10.031 22.636 1.00 39.34 C
ATOM 342 CG2 ILE A 61 4.888 -10.275 20.311 1.00 36.07 C
ATOM 343 CD1 ILE A 61 5.192 -10.140 23.374 1.00 40.25 C
ATOM 344 N MET A 62 2.400 -12.508 19.202 1.00 41.65 N
ATOM 345 CA MET A 62 2.415 -13.203 17.938 1.00 42.96 C
ATOM 346 C MET A 62 1.221 -12.848 17.050 1.00 43.32 C
ATOM 347 O MET A 62 1.391 -12.535 15.876 1.00 42.48 O
ATOM 348 CB MET A 62 2.440 -14.710 18.197 1.00 45.08 C
ATOM 349 CG MET A 62 3.153 -15.470 17.133 1.00 48.49 C
ATOM 350 SD MET A 62 4.761 -14.723 16.863 1.00 51.22 S
ATOM 351 CE MET A 62 5.837 -15.803 17.662 1.00 51.36 C
ATOM 352 N THR A 63 0.018 -12.869 17.618 1.00 44.98 N
ATOM 353 CA THR A 63 -1.193 -12.599 16.855 1.00 46.32 C
ATOM 354 C THR A 63 -1.392 -11.153 16.387 1.00 47.49 C
ATOM 355 O THR A 63 -1.978 -10.914 15.332 1.00 47.61 O
ATOM 356 CB THR A 63 -2.452 -13.094 17.634 1.00 48.96 C
ATOM 357 OG1 THR A 63 -3.226 -13.943 16.779 1.00 53.20 O
ATOM 358 CG2 THR A 63 -3.327 -11.927 18.067 1.00 51.12 C
ATOM 359 N LYS A 64 -0.932 -10.182 17.161 1.00 47.46 N
ATOM 360 CA LYS A 64 -1.073 -8.790 16.745 1.00 47.36 C
ATOM 361 C LYS A 64 0.221 -8.372 16.085 1.00 46.97 C
ATOM 362 O LYS A 64 0.382 -7.227 15.705 1.00 49.40 O
ATOM 363 CB LYS A 64 -1.360 -7.860 17.933 1.00 48.47 C
ATOM 364 CG LYS A 64 -2.585 -8.246 18.751 1.00 48.23 C
ATOM 365 CD LYS A 64 -3.110 -7.085 19.587 1.00 48.31 C
ATOM 366 CE LYS A 64 -3.984 -6.140 18.759 1.00 50.56 C
ATOM 367 NZ LYS A 64 -4.788 -5.210 19.608 1.00 47.78 N
ATOM 368 N ARG A 65 1.137 -9.317 15.926 1.00 47.22 N
ATOM 369 CA ARG A 65 2.425 -9.036 15.310 1.00 47.08 C
ATOM 370 C ARG A 65 3.033 -7.751 15.880 1.00 44.53 C
ATOM 371 O ARG A 65 3.257 -6.774 15.166 1.00 42.73 O
ATOM 372 CB ARG A 65 2.255 -8.940 13.792 1.00 51.12 C
ATOM 373 CG ARG A 65 1.480 -10.127 13.220 1.00 55.37 C
ATOM 374 CD ARG A 65 1.339 -10.049 11.712 1.00 60.90 C
ATOM 375 NE ARG A 65 0.492 -11.117 11.170 1.00 65.22 N
ATOM 376 CZ ARG A 65 0.341 -11.370 9.868 1.00 67.00 C
ATOM 377 NH1 ARG A 65 0.982 -10.638 8.957 1.00 67.13 N
ATOM 378 NH2 ARG A 65 -0.459 -12.350 9.470 1.00 67.98 N
ATOM 379 N LEU A 66 3.304 -7.776 17.182 1.00 42.47 N
ATOM 380 CA LEU A 66 3.871 -6.623 17.874 1.00 41.82 C
ATOM 381 C LEU A 66 5.388 -6.590 17.782 1.00 41.11 C
ATOM 382 O LEU A 66 6.026 -5.646 18.257 1.00 41.22 O
ATOM 383 CB LEU A 66 3.451 -6.632 19.340 1.00 40.53 C
ATOM 384 CG LEU A 66 1.946 -6.562 19.590 1.00 39.35 C
ATOM 385 CD1 LEU A 66 1.693 -6.480 21.083 1.00 36.95 C
ATOM 386 CD2 LEU A 66 1.362 -5.357 18.864 1.00 37.99 C
ATOM 387 N TYR A 67 5.953 -7.615 17.149 1.00 39.74 N
ATOM 388 CA TYR A 67 7.400 -7.725 16.999 1.00 39.64 C
ATOM 389 C TYR A 67 7.961 -7.130 15.712 1.00 38.63 C
ATOM 390 O TYR A 67 7.265 -7.026 14.701 1.00 37.09 O
ATOM 391 CB TYR A 67 7.830 -9.194 17.085 1.00 39.48 C
ATOM 392 CG TYR A 67 7.290 -10.092 15.975 1.00 40.96 C
ATOM 393 CD1 TYR A 67 6.018 -10.666 16.059 1.00 41.34 C
ATOM 394 CD2 TYR A 67 8.066 -10.372 14.846 1.00 42.47 C
ATOM 395 CE1 TYR A 67 5.541 -11.508 15.045 1.00 45.04 C
ATOM 396 CE2 TYR A 67 7.601 -11.194 13.828 1.00 42.43 C
ATOM 397 CZ TYR A 67 6.344 -11.760 13.931 1.00 45.95 C
ATOM 398 OH TYR A 67 5.891 -12.572 12.920 1.00 47.41 O
ATOM 399 N ASP A 68 9.241 -6.763 15.759 1.00 40.71 N
ATOM 400 CA ASP A 68 9.932 -6.201 14.604 1.00 41.09 C
ATOM 401 C ASP A 68 10.144 -7.316 13.594 1.00 41.98 C
ATOM 402 O ASP A 68 10.705 -8.354 13.935 1.00 43.04 O
ATOM 403 CB ASP A 68 11.282 -5.605 15.025 1.00 40.55 C
ATOM 404 CG ASP A 68 12.028 -4.991 13.863 1.00 41.70 C
ATOM 405 OD1 ASP A 68 12.565 -5.764 13.048 1.00 41.40 O
ATOM 406 OD2 ASP A 68 12.055 -3.744 13.744 1.00 43.68 O
ATOM 407 N GLU A 69 9.681 -7.106 12.361 1.00 43.07 N
ATOM 408 CA GLU A 69 9.813 -8.102 11.291 1.00 45.92 C
ATOM 409 C GLU A 69 11.242 -8.564 10.911 1.00 46.24 C
ATOM 410 O GLU A 69 11.394 -9.614 10.325 1.00 48.09 O
ATOM 411 CB GLU A 69 9.040 -7.637 10.034 1.00 47.91 C
ATOM 412 CG GLU A 69 7.502 -7.812 10.090 1.00 52.84 C
ATOM 413 CD GLU A 69 7.053 -9.279 10.183 1.00 58.19 C
ATOM 414 OE1 GLU A 69 7.840 -10.172 9.779 1.00 60.07 O
ATOM 415 OE2 GLU A 69 5.901 -9.537 10.638 1.00 61.82 O
ATOM 416 N LYS A 70 12.283 -7.812 11.265 1.00 47.03 N
ATOM 417 CA LYS A 70 13.676 -8.187 10.947 1.00 48.00 C
ATOM 418 C LYS A 70 14.550 -8.675 12.099 1.00 48.18 C
ATOM 419 O LYS A 70 15.449 -9.475 11.912 1.00 49.01 O
ATOM 420 CB LYS A 70 14.412 -7.015 10.288 1.00 48.70 C
ATOM 421 CG LYS A 70 15.954 -7.208 10.272 1.00 49.87 C
ATOM 422 CD LYS A 70 16.518 -7.783 8.961 1.00 50.33 C
ATOM 423 CE LYS A 70 18.013 -7.510 8.964 1.00 51.11 C
ATOM 424 NZ LYS A 70 18.202 -6.309 9.864 1.00 55.62 N
ATOM 425 N GLN A 71 14.311 -8.089 13.262 1.00 47.23 N
ATOM 426 CA GLN A 71 15.003 -8.364 14.518 1.00 47.05 C
ATOM 427 C GLN A 71 13.906 -8.661 15.558 1.00 46.08 C
ATOM 428 O GLN A 71 13.750 -7.951 16.564 1.00 45.13 O
ATOM 429 CB GLN A 71 15.829 -7.138 14.942 1.00 47.90 C
ATOM 430 CG GLN A 71 17.150 -6.955 14.190 1.00 51.76 C
ATOM 431 CD GLN A 71 18.226 -7.825 14.777 1.00 52.46 C
ATOM 432 OE1 GLN A 71 18.004 -9.013 14.985 1.00 53.49 O
ATOM 433 NE2 GLN A 71 19.395 -7.246 15.062 1.00 53.84 N
ATOM 434 N GLN A 72 13.196 -9.753 15.267 1.00 45.02 N
ATOM 435 CA GLN A 72 12.050 -10.335 15.977 1.00 44.19 C
ATOM 436 C GLN A 72 12.143 -10.579 17.486 1.00 43.56 C
ATOM 437 O GLN A 72 11.240 -11.166 18.083 1.00 43.95 O
ATOM 438 CB GLN A 72 11.706 -11.633 15.255 1.00 45.06 C
ATOM 439 CG GLN A 72 12.051 -11.572 13.740 1.00 46.31 C
ATOM 440 CD GLN A 72 11.496 -12.757 12.964 1.00 45.89 C
ATOM 441 OE1 GLN A 72 11.432 -13.857 13.486 1.00 49.13 O
ATOM 442 NE2 GLN A 72 11.100 -12.533 11.713 1.00 47.29 N
ATOM 443 N HIS A 73 13.237 -10.138 18.091 1.00 41.89 N
ATOM 444 CA HIS A 73 13.434 -10.263 19.522 1.00 39.91 C
ATOM 445 C HIS A 73 13.022 -8.921 20.173 1.00 39.79 C
ATOM 446 O HIS A 73 13.034 -8.765 21.395 1.00 39.40 O
ATOM 447 CB HIS A 73 14.899 -10.604 19.787 1.00 38.97 C
ATOM 448 CG HIS A 73 15.861 -9.493 19.484 1.00 40.71 C
ATOM 449 ND1 HIS A 73 16.071 -8.444 20.355 1.00 40.65 N
ATOM 450 CD2 HIS A 73 16.752 -9.334 18.480 1.00 38.97 C
ATOM 451 CE1 HIS A 73 17.060 -7.697 19.902 1.00 41.37 C
ATOM 452 NE2 HIS A 73 17.494 -8.213 18.768 1.00 39.38 N
ATOM 453 N ILE A 74 12.635 -7.960 19.335 1.00 38.63 N
ATOM 454 CA ILE A 74 12.199 -6.648 19.803 1.00 38.34 C
ATOM 455 C ILE A 74 10.683 -6.523 19.608 1.00 39.36 C
ATOM 456 O ILE A 74 10.158 -6.834 18.549 1.00 40.92 O
ATOM 457 CB ILE A 74 12.921 -5.500 19.037 1.00 39.73 C
ATOM 458 CG1 ILE A 74 14.409 -5.504 19.397 1.00 38.29 C
ATOM 459 CG2 ILE A 74 12.279 -4.130 19.372 1.00 37.17 C
ATOM 460 CD1 ILE A 74 14.683 -5.251 20.864 1.00 42.28 C
ATOM 461 N VAL A 75 9.977 -6.071 20.635 1.00 38.34 N
ATOM 462 CA VAL A 75 8.528 -5.923 20.546 1.00 36.32 C
ATOM 463 C VAL A 75 8.098 -4.440 20.597 1.00 37.01 C
ATOM 464 O VAL A 75 8.669 -3.644 21.336 1.00 32.49 O
ATOM 465 CB VAL A 75 7.833 -6.717 21.693 1.00 35.00 C
ATOM 466 CG1 VAL A 75 6.341 -6.462 21.701 1.00 33.37 C
ATOM 467 CG2 VAL A 75 8.098 -8.203 21.516 1.00 33.74 C
ATOM 468 N TYR A 76 7.106 -4.093 19.780 1.00 38.42 N
ATOM 469 CA TYR A 76 6.546 -2.746 19.733 1.00 40.44 C
ATOM 470 C TYR A 76 5.174 -2.832 20.422 1.00 41.37 C
ATOM 471 O TYR A 76 4.344 -3.683 20.101 1.00 42.11 O
ATOM 472 CB TYR A 76 6.423 -2.262 18.274 1.00 37.95 C
ATOM 473 CG TYR A 76 7.770 -2.125 17.570 1.00 36.46 C
ATOM 474 CD1 TYR A 76 8.810 -1.404 18.155 1.00 35.62 C
ATOM 475 CD2 TYR A 76 8.018 -2.760 16.351 1.00 36.92 C
ATOM 476 CE1 TYR A 76 10.065 -1.321 17.552 1.00 35.29 C
ATOM 477 CE2 TYR A 76 9.267 -2.691 15.738 1.00 35.66 C
ATOM 478 CZ TYR A 76 10.286 -1.970 16.344 1.00 34.21 C
ATOM 479 OH TYR A 76 11.518 -1.905 15.742 1.00 35.35 O
ATOM 480 N CYS A 77 4.964 -1.967 21.405 1.00 42.66 N
ATOM 481 CA CYS A 77 3.715 -1.939 22.167 1.00 43.82 C
ATOM 482 C CYS A 77 3.363 -0.503 22.515 1.00 43.93 C
ATOM 483 O CYS A 77 2.561 -0.234 23.399 1.00 44.64 O
ATOM 484 CB CYS A 77 3.865 -2.792 23.440 1.00 41.60 C
ATOM 485 SG CYS A 77 5.315 -2.392 24.429 1.00 42.31 S
ATOM 486 N SER A 78 3.989 0.405 21.783 1.00 45.15 N
ATOM 487 CA SER A 78 3.811 1.843 21.959 1.00 47.07 C
ATOM 488 C SER A 78 2.357 2.294 21.894 1.00 47.72 C
ATOM 489 O SER A 78 1.888 3.045 22.749 1.00 48.10 O
ATOM 490 CB SER A 78 4.602 2.582 20.888 1.00 42.69 C
ATOM 491 OG SER A 78 4.706 3.949 21.200 1.00 48.36 O
ATOM 492 N ASN A 79 1.648 1.819 20.876 1.00 49.86 N
ATOM 493 CA ASN A 79 0.253 2.190 20.663 1.00 50.84 C
ATOM 494 C ASN A 79 -0.676 0.999 20.900 1.00 51.12 C
ATOM 495 O ASN A 79 -1.681 0.844 20.215 1.00 53.11 O
ATOM 496 CB ASN A 79 0.064 2.708 19.220 1.00 51.26 C
ATOM 497 CG ASN A 79 1.383 3.148 18.553 1.00 50.72 C
ATOM 498 OD1 ASN A 79 2.336 3.560 19.221 1.00 52.46 O
ATOM 499 ND2 ASN A 79 1.420 3.088 17.223 1.00 50.94 N
ATOM 500 N ASP A 80 -0.352 0.172 21.884 1.00 51.37 N
ATOM 501 CA ASP A 80 -1.141 -1.013 22.168 1.00 50.48 C
ATOM 502 C ASP A 80 -1.459 -1.091 23.656 1.00 51.25 C
ATOM 503 O ASP A 80 -0.802 -0.450 24.466 1.00 51.66 O
ATOM 504 CB ASP A 80 -0.324 -2.242 21.763 1.00 49.59 C
ATOM 505 CG ASP A 80 -1.125 -3.521 21.793 1.00 47.69 C
ATOM 506 OD1 ASP A 80 -1.716 -3.884 20.755 1.00 46.24 O
ATOM 507 OD2 ASP A 80 -1.166 -4.161 22.858 1.00 48.71 O
ATOM 508 N LEU A 81 -2.463 -1.883 24.012 1.00 51.46 N
ATOM 509 CA LEU A 81 -2.818 -2.069 25.403 1.00 51.41 C
ATOM 510 C LEU A 81 -1.564 -2.554 26.130 1.00 50.48 C
ATOM 511 O LEU A 81 -1.214 -2.045 27.197 1.00 50.14 O
ATOM 512 CB LEU A 81 -3.947 -3.103 25.512 1.00 54.06 C
ATOM 513 CG LEU A 81 -4.440 -3.513 26.900 1.00 56.55 C
ATOM 514 CD1 LEU A 81 -4.801 -2.281 27.706 1.00 57.80 C
ATOM 515 CD2 LEU A 81 -5.660 -4.430 26.753 1.00 59.83 C
ATOM 516 N LEU A 82 -0.886 -3.537 25.538 1.00 47.71 N
ATOM 517 CA LEU A 82 0.333 -4.089 26.120 1.00 45.60 C
ATOM 518 C LEU A 82 1.241 -2.963 26.634 1.00 43.70 C
ATOM 519 O LEU A 82 1.775 -3.041 27.739 1.00 41.58 O
ATOM 520 CB LEU A 82 1.088 -4.925 25.078 1.00 45.96 C
ATOM 521 CG LEU A 82 2.286 -5.719 25.600 1.00 44.82 C
ATOM 522 CD1 LEU A 82 1.806 -6.892 26.437 1.00 46.83 C
ATOM 523 CD2 LEU A 82 3.109 -6.192 24.429 1.00 42.88 C
ATOM 524 N GLY A 83 1.396 -1.918 25.819 1.00 44.50 N
ATOM 525 CA GLY A 83 2.214 -0.773 26.186 1.00 44.99 C
ATOM 526 C GLY A 83 1.778 -0.121 27.485 1.00 45.93 C
ATOM 527 O GLY A 83 2.618 0.346 28.255 1.00 44.87 O
ATOM 528 N ASP A 84 0.470 -0.077 27.728 1.00 47.28 N
ATOM 529 CA ASP A 84 -0.041 0.511 28.963 1.00 50.28 C
ATOM 530 C ASP A 84 0.271 -0.400 30.146 1.00 49.95 C
ATOM 531 O ASP A 84 0.564 0.086 31.236 1.00 49.81 O
ATOM 532 CB ASP A 84 -1.556 0.744 28.888 1.00 53.31 C
ATOM 533 CG ASP A 84 -1.943 1.720 27.796 1.00 56.74 C
ATOM 534 OD1 ASP A 84 -1.294 2.782 27.693 1.00 59.64 O
ATOM 535 OD2 ASP A 84 -2.903 1.439 27.044 1.00 58.71 O
ATOM 536 N LEU A 85 0.221 -1.714 29.934 1.00 48.85 N
ATOM 537 CA LEU A 85 0.504 -2.655 31.018 1.00 49.39 C
ATOM 538 C LEU A 85 1.969 -2.658 31.432 1.00 47.76 C
ATOM 539 O LEU A 85 2.290 -2.664 32.616 1.00 47.51 O
ATOM 540 CB LEU A 85 0.103 -4.078 30.624 1.00 51.61 C
ATOM 541 CG LEU A 85 -1.353 -4.353 30.280 1.00 55.98 C
ATOM 542 CD1 LEU A 85 -1.486 -5.827 29.921 1.00 57.91 C
ATOM 543 CD2 LEU A 85 -2.248 -3.999 31.458 1.00 57.40 C
ATOM 544 N PHE A 86 2.855 -2.640 30.448 1.00 46.20 N
ATOM 545 CA PHE A 86 4.280 -2.672 30.718 1.00 45.09 C
ATOM 546 C PHE A 86 4.936 -1.308 30.926 1.00 42.88 C
ATOM 547 O PHE A 86 6.014 -1.225 31.492 1.00 42.32 O
ATOM 548 CB PHE A 86 4.987 -3.442 29.599 1.00 46.35 C
ATOM 549 CG PHE A 86 4.774 -4.937 29.650 1.00 46.48 C
ATOM 550 CD1 PHE A 86 3.808 -5.495 30.484 1.00 46.93 C
ATOM 551 CD2 PHE A 86 5.538 -5.788 28.848 1.00 47.17 C
ATOM 552 CE1 PHE A 86 3.602 -6.876 30.521 1.00 49.39 C
ATOM 553 CE2 PHE A 86 5.341 -7.165 28.877 1.00 47.35 C
ATOM 554 CZ PHE A 86 4.378 -7.712 29.709 1.00 47.97 C
ATOM 555 N GLY A 87 4.295 -0.246 30.463 1.00 41.06 N
ATOM 556 CA GLY A 87 4.859 1.073 30.662 1.00 40.73 C
ATOM 557 C GLY A 87 6.101 1.384 29.842 1.00 41.05 C
ATOM 558 O GLY A 87 6.909 2.209 30.251 1.00 39.96 O
ATOM 559 N VAL A 88 6.281 0.713 28.712 1.00 38.56 N
ATOM 560 CA VAL A 88 7.412 0.989 27.853 1.00 38.99 C
ATOM 561 C VAL A 88 6.914 0.919 26.423 1.00 37.81 C
ATOM 562 O VAL A 88 5.904 0.284 26.143 1.00 35.79 O
ATOM 563 CB VAL A 88 8.593 -0.011 28.066 1.00 39.63 C
ATOM 564 CG1 VAL A 88 9.025 0.010 29.521 1.00 37.25 C
ATOM 565 CG2 VAL A 88 8.213 -1.416 27.615 1.00 39.89 C
ATOM 566 N PRO A 89 7.596 1.611 25.505 1.00 38.77 N
ATOM 567 CA PRO A 89 7.171 1.589 24.103 1.00 39.87 C
ATOM 568 C PRO A 89 7.645 0.340 23.365 1.00 38.67 C
ATOM 569 O PRO A 89 7.041 -0.058 22.375 1.00 40.26 O
ATOM 570 CB PRO A 89 7.759 2.885 23.548 1.00 38.67 C
ATOM 571 CG PRO A 89 9.029 3.022 24.319 1.00 40.51 C
ATOM 572 CD PRO A 89 8.633 2.633 25.734 1.00 39.03 C
ATOM 573 N SER A 90 8.707 -0.282 23.862 1.00 37.97 N
ATOM 574 CA SER A 90 9.245 -1.482 23.242 1.00 37.68 C
ATOM 575 C SER A 90 10.263 -2.137 24.168 1.00 37.87 C
ATOM 576 O SER A 90 10.865 -1.472 25.011 1.00 39.38 O
ATOM 577 CB SER A 90 9.905 -1.145 21.898 1.00 38.03 C
ATOM 578 OG SER A 90 11.316 -1.104 22.007 1.00 39.10 O
ATOM 579 N PHE A 91 10.456 -3.439 24.010 1.00 34.77 N
ATOM 580 CA PHE A 91 11.387 -4.159 24.854 1.00 36.11 C
ATOM 581 C PHE A 91 11.945 -5.363 24.104 1.00 36.17 C
ATOM 582 O PHE A 91 11.432 -5.746 23.048 1.00 36.12 O
ATOM 583 CB PHE A 91 10.685 -4.586 26.165 1.00 33.33 C
ATOM 584 CG PHE A 91 9.493 -5.484 25.962 1.00 35.24 C
ATOM 585 CD1 PHE A 91 9.634 -6.870 26.006 1.00 35.37 C
ATOM 586 CD2 PHE A 91 8.235 -4.945 25.681 1.00 33.50 C
ATOM 587 CE1 PHE A 91 8.545 -7.711 25.774 1.00 33.52 C
ATOM 588 CE2 PHE A 91 7.138 -5.769 25.443 1.00 33.49 C
ATOM 589 CZ PHE A 91 7.291 -7.159 25.490 1.00 35.16 C
ATOM 590 N SER A 92 13.015 -5.939 24.636 1.00 36.93 N
ATOM 591 CA SER A 92 13.641 -7.100 24.020 1.00 38.79 C
ATOM 592 C SER A 92 13.272 -8.365 24.797 1.00 38.35 C
ATOM 593 O SER A 92 13.417 -8.413 26.024 1.00 39.93 O
ATOM 594 CB SER A 92 15.153 -6.922 23.998 1.00 35.07 C
ATOM 595 OG SER A 92 15.773 -8.101 23.529 1.00 40.67 O
ATOM 596 N VAL A 93 12.807 -9.386 24.082 1.00 39.78 N
ATOM 597 CA VAL A 93 12.404 -10.640 24.713 1.00 38.88 C
ATOM 598 C VAL A 93 13.612 -11.385 25.279 1.00 39.97 C
ATOM 599 O VAL A 93 13.473 -12.430 25.912 1.00 38.77 O
ATOM 600 CB VAL A 93 11.638 -11.537 23.708 1.00 37.82 C
ATOM 601 CG1 VAL A 93 10.527 -10.729 23.060 1.00 38.40 C
ATOM 602 CG2 VAL A 93 12.579 -12.087 22.648 1.00 38.14 C
ATOM 603 N LYS A 94 14.799 -10.830 25.046 1.00 40.74 N
ATOM 604 CA LYS A 94 16.035 -11.422 25.548 1.00 42.73 C
ATOM 605 C LYS A 94 16.233 -11.100 27.028 1.00 42.29 C
ATOM 606 O LYS A 94 16.891 -11.847 27.745 1.00 44.02 O
ATOM 607 CB LYS A 94 17.247 -10.910 24.759 1.00 43.37 C
ATOM 608 CG LYS A 94 17.286 -11.338 23.303 1.00 44.41 C
ATOM 609 CD LYS A 94 18.591 -10.933 22.634 1.00 45.48 C
ATOM 610 CE LYS A 94 18.566 -11.305 21.164 1.00 45.86 C
ATOM 611 NZ LYS A 94 19.861 -11.011 20.506 1.00 46.94 N
ATOM 612 N GLU A 95 15.656 -9.994 27.485 1.00 43.50 N
ATOM 613 CA GLU A 95 15.802 -9.594 28.887 1.00 45.54 C
ATOM 614 C GLU A 95 14.625 -10.086 29.714 1.00 44.69 C
ATOM 615 O GLU A 95 13.691 -9.339 30.009 1.00 41.55 O
ATOM 616 CB GLU A 95 15.942 -8.072 28.973 1.00 46.98 C
ATOM 617 CG GLU A 95 16.992 -7.533 27.999 1.00 49.32 C
ATOM 618 CD GLU A 95 17.103 -6.029 27.999 1.00 50.78 C
ATOM 619 OE1 GLU A 95 16.058 -5.346 27.932 1.00 51.15 O
ATOM 620 OE2 GLU A 95 18.248 -5.530 28.049 1.00 54.33 O
ATOM 621 N HIS A 96 14.697 -11.367 30.071 1.00 45.68 N
ATOM 622 CA HIS A 96 13.660 -12.037 30.831 1.00 45.25 C
ATOM 623 C HIS A 96 13.294 -11.348 32.140 1.00 45.69 C
ATOM 624 O HIS A 96 12.132 -10.997 32.345 1.00 44.84 O
ATOM 625 CB HIS A 96 14.070 -13.493 31.048 1.00 43.41 C
ATOM 626 CG HIS A 96 14.116 -14.282 29.772 1.00 43.46 C
ATOM 627 ND1 HIS A 96 14.151 -15.664 29.745 1.00 44.05 N
ATOM 628 CD2 HIS A 96 14.109 -13.879 28.485 1.00 42.10 C
ATOM 629 CE1 HIS A 96 14.162 -16.070 28.488 1.00 43.63 C
ATOM 630 NE2 HIS A 96 14.137 -15.010 27.702 1.00 42.36 N
ATOM 631 N ARG A 97 14.278 -11.130 33.008 1.00 45.43 N
ATOM 632 CA ARG A 97 14.033 -10.472 34.283 1.00 45.10 C
ATOM 633 C ARG A 97 13.224 -9.193 34.100 1.00 45.36 C
ATOM 634 O ARG A 97 12.233 -8.967 34.801 1.00 45.75 O
ATOM 635 CB ARG A 97 15.358 -10.138 34.981 1.00 46.83 C
ATOM 636 CG ARG A 97 15.178 -9.330 36.271 1.00 46.56 C