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protein.pdb
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protein.pdb
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HEADER TRANSFERASE 1IEP
TITLE 1IEP_P (1)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL;
COMPND 3 CHAIN: A, B;
COMPND 4 FRAGMENT: KINASE DOMAIN;
COMPND 5 SYNONYM: P150, C-ABL;
COMPND 6 EC: 2.7.1.112;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PFASTBAC
KEYWDS KINASE, KINASE INHIBITOR, STI-571, ACTIVATION LOOP, TRANSFERASE
EXPDTA X-RAY DIFFRACTION
AUTHOR B.NAGAR,W.BORNMANN,T.SCHINDLER,B.CLARKSON,J.KURIYAN
REVDAT 3 1IEP 1 VERSN
REVDAT 2 1IEP 1 JRNL
REVDAT 1 1IEP 0
JRNL AUTH B.NAGAR,W.BORNMANN,P.PELLICENA,T.SCHINDLER,D.R.VEACH,
JRNL AUTH 2 W.T.MILLER,B.CLARKSON,J.KURIYAN
JRNL TITL CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF C-ABL IN COMPLEX
JRNL TITL 2 WITH THE SMALL MOLECULE INHIBITORS PD173955 AND IMATINIB
JRNL TITL 3 (STI-571)
JRNL REF CANCER RES. V. 62 4236 2002
JRNL REFN ISSN 0008-5472
JRNL PMID 12154025
REMARK 2
REMARK 2 RESOLUTION. 2.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0
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) : 29.14
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 565920.720
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.6
REMARK 3 NUMBER OF REFLECTIONS : 35704
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.231
REMARK 3 FREE R VALUE : 0.262
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.200
REMARK 3 FREE R VALUE TEST SET COUNT : 2917
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 88.60
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4978
REMARK 3 BIN R VALUE (WORKING SET) : 0.3330
REMARK 3 BIN FREE R VALUE : 0.3930
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.30
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 452
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 4458
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 80
REMARK 3 SOLVENT ATOMS : 172
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 28.00
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 55.10
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 20.66000
REMARK 3 B22 (A**2) : -6.98000
REMARK 3 B33 (A**2) : -13.67000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.30
REMARK 3 ESD FROM SIGMAA (A) : 0.33
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.36
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.43
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.005
REMARK 3 BOND ANGLES (DEGREES) : 1.20
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.30
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.69
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : 2.270 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.530 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 3.230 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.690 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.34
REMARK 3 BSOL : 49.07
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 : PROTEIN_REP.PARAM
REMARK 3 PARAMETER FILE 2 : STIPIPFLIP.PAR
REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 4 : ION.PARAM
REMARK 3 PARAMETER FILE 5 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : STIPIPFLIP.TOP
REMARK 3 TOPOLOGY FILE 3 : WATER.TOP
REMARK 3 TOPOLOGY FILE 4 : ION.TOP
REMARK 3 TOPOLOGY FILE 5 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1IEP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-01.
REMARK 100 THE RCSB ID CODE IS RCSB013215.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 30-JAN-01
REMARK 200 TEMPERATURE (KELVIN) : 103
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : CHESS
REMARK 200 BEAMLINE : F1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.949
REMARK 200 MONOCHROMATOR : SI
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37004
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100
REMARK 200 RESOLUTION RANGE LOW (A) : 29.140
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0
REMARK 200 DATA REDUNDANCY : 5.300
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.04100
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 16.3000
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 (%) : 97.1
REMARK 200 DATA REDUNDANCY IN SHELL : 4.50
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.27000
REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.200
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS
REMARK 200 SOFTWARE USED: CNS
REMARK 200 STARTING MODEL: PDB ENTRY 1FPU
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 53.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, MAGNESIUM CHLORIDE, MES,
REMARK 280 PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 2 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 -X,Y,-Z
REMARK 290 4555 X,-Y,-Z
REMARK 290 5555 X,Y+1/2,Z+1/2
REMARK 290 6555 -X,-Y+1/2,Z+1/2
REMARK 290 7555 -X,Y+1/2,-Z+1/2
REMARK 290 8555 X,-Y+1/2,-Z+1/2
REMARK 290 9555 X+1/2,Y,Z+1/2
REMARK 290 10555 -X+1/2,-Y,Z+1/2
REMARK 290 11555 -X+1/2,Y,-Z+1/2
REMARK 290 12555 X+1/2,-Y,-Z+1/2
REMARK 290 13555 X+1/2,Y+1/2,Z
REMARK 290 14555 -X+1/2,-Y+1/2,Z
REMARK 290 15555 -X+1/2,Y+1/2,-Z
REMARK 290 16555 X+1/2,-Y+1/2,-Z
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 0.00000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 73.68550
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 76.72100
REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 73.68550
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 76.72100
REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 73.68550
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 76.72100
REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 73.68550
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 76.72100
REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 76.72100
REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 76.72100
REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 76.72100
REMARK 290 SMTRY1 12 1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 12 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 76.72100
REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 73.68550
REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 73.68550
REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 73.68550
REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 56.44250
REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 73.68550
REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
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: MONOMERIC
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
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 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 223
REMARK 465 ALA A 224
REMARK 465 GLU A 499
REMARK 465 SER A 500
REMARK 465 SER A 501
REMARK 465 ILE A 502
REMARK 465 SER A 503
REMARK 465 ASP A 504
REMARK 465 GLU A 505
REMARK 465 VAL A 506
REMARK 465 GLU A 507
REMARK 465 LYS A 508
REMARK 465 GLU A 509
REMARK 465 LEU A 510
REMARK 465 GLY A 511
REMARK 465 LYS A 512
REMARK 465 ARG A 513
REMARK 465 GLY A 514
REMARK 465 THR A 515
REMARK 465 GLY B 223
REMARK 465 ALA B 224
REMARK 465 GLU B 499
REMARK 465 SER B 500
REMARK 465 SER B 501
REMARK 465 ILE B 502
REMARK 465 SER B 503
REMARK 465 ASP B 504
REMARK 465 GLU B 505
REMARK 465 VAL B 506
REMARK 465 GLU B 507
REMARK 465 LYS B 508
REMARK 465 GLU B 509
REMARK 465 LEU B 510
REMARK 465 GLY B 511
REMARK 465 LYS B 512
REMARK 465 ARG B 513
REMARK 465 GLY B 514
REMARK 465 THR B 515
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 LYS A 245 -143.51 -126.27
REMARK 500 LYS A 262 -63.58 -29.05
REMARK 500 LYS A 263 -18.69 -42.64
REMARK 500 LYS A 274 169.47 -49.52
REMARK 500 GLU A 275 78.74 -52.31
REMARK 500 ASP A 276 82.34 54.59
REMARK 500 MET A 278 37.61 -70.50
REMARK 500 ARG A 362 -16.49 87.76
REMARK 500 ASP A 363 54.49 -150.99
REMARK 500 HIS A 396 99.09 -174.66
REMARK 500 TYR A 440 61.19 38.04
REMARK 500 SER B 229 140.99 -39.16
REMARK 500 LYS B 245 -129.10 -93.00
REMARK 500 LYS B 262 -72.14 -26.96
REMARK 500 LYS B 263 -34.93 -38.82
REMARK 500 MET B 278 13.82 -150.89
REMARK 500 ARG B 362 -19.72 87.89
REMARK 500 ASP B 363 55.43 -146.51
REMARK 500 LEU B 387 -38.40 -163.21
REMARK 500 THR B 389 -176.15 -68.60
REMARK 500 ASP B 391 -9.78 -58.19
REMARK 500 HIS B 396 129.65 -170.86
REMARK 500 MET B 496 20.35 -69.59
REMARK 500 PHE B 497 -97.19 -142.59
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 CL A 1
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 2
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 3
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 4
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 5
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 6
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI A 201
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI B 202
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FPU RELATED DB: PDB
SEQRES 1 A 295 GLY ALA ACE MET ASP PRO SER SER PRO ASN TYR ASP LYS
SEQRES 2 A 295 TRP GLU MET GLU ARG THR ASP ILE THR MET LYS HIS LYS
SEQRES 3 A 295 LEU GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU GLY VAL
SEQRES 4 A 295 TRP LYS LYS TYR SER LEU THR VAL ALA VAL LYS THR LEU
SEQRES 5 A 295 LYS GLU ASP THR MET GLU VAL GLU GLU PHE LEU LYS GLU
SEQRES 6 A 295 ALA ALA VAL MET LYS GLU ILE LYS HIS PRO ASN LEU VAL
SEQRES 7 A 295 GLN LEU LEU GLY VAL CYS THR ARG GLU PRO PRO PHE TYR
SEQRES 8 A 295 ILE ILE THR GLU PHE MET THR TYR GLY ASN LEU LEU ASP
SEQRES 9 A 295 TYR LEU ARG GLU CYS ASN ARG GLN GLU VAL SER ALA VAL
SEQRES 10 A 295 VAL LEU LEU TYR MET ALA THR GLN ILE SER SER ALA MET
SEQRES 11 A 295 GLU TYR LEU GLU LYS LYS ASN PHE ILE HIS ARG ASP LEU
SEQRES 12 A 295 ALA ALA ARG ASN CYS LEU VAL GLY GLU ASN HIS LEU VAL
SEQRES 13 A 295 LYS VAL ALA ASP PHE GLY LEU SER ARG LEU MET THR GLY
SEQRES 14 A 295 ASP THR TYR THR ALA HIS ALA GLY ALA LYS PHE PRO ILE
SEQRES 15 A 295 LYS TRP THR ALA PRO GLU SER LEU ALA TYR ASN LYS PHE
SEQRES 16 A 295 SER ILE LYS SER ASP VAL TRP ALA PHE GLY VAL LEU LEU
SEQRES 17 A 295 TRP GLU ILE ALA THR TYR GLY MET SER PRO TYR PRO GLY
SEQRES 18 A 295 ILE ASP LEU SER GLN VAL TYR GLU LEU LEU GLU LYS ASP
SEQRES 19 A 295 TYR ARG MET GLU ARG PRO GLU GLY CYS PRO GLU LYS VAL
SEQRES 20 A 295 TYR GLU LEU MET ARG ALA CYS TRP GLN TRP ASN PRO SER
SEQRES 21 A 295 ASP ARG PRO SER PHE ALA GLU ILE HIS GLN ALA PHE GLU
SEQRES 22 A 295 THR MET PHE GLN NME GLU SER SER ILE SER ASP GLU VAL
SEQRES 23 A 295 GLU LYS GLU LEU GLY LYS ARG GLY THR
HELIX 1 1 GLU A 238 THR A 240 1 3
HELIX 2 2 GLY A 249 GLN A 252 1 4
HELIX 3 3 LYS A 263 SER A 265 1 3
HELIX 4 4 GLU A 279 LYS A 291 1 13
HELIX 5 5 ASN A 322 CYS A 330 1 9
HELIX 6 6 SER A 336 LYS A 357 1 22
HELIX 7 7 ALA A 365 ARG A 367 1 3
HELIX 8 8 GLU A 373 HIS A 375 1 3
HELIX 9 9 PRO A 402 ASN A 414 1 13
HELIX 10 10 SER A 417 THR A 434 1 18
HELIX 11 11 ASP A 444 LYS A 454 1 11
HELIX 12 12 PRO A 465 TRP A 476 1 12
HELIX 13 13 ASN A 479 ARG A 483 1 5
HELIX 14 14 SER A 485 GLN A 498 1 14
SHEET 1 A 5 ILE A 242 LYS A 247 0
SHEET 2 A 5 VAL A 256 TRP A 261 0
SHEET 3 A 5 LEU A 266 THR A 272 0
SHEET 4 A 5 TYR A 312 GLU A 316 0
SHEET 5 A 5 LEU A 301 CYS A 305 0
SHEET 1 B 2 CYS A 369 VAL A 371 0
SHEET 2 B 2 VAL A 377 VAL A 379 0
SHEET 1 C 2 THR A 394 HIS A 396 0
SHEET 2 C 2 ALA A 399 PHE A 401 0
CRYST1 112.885 147.371 153.442 90.00 90.00 90.00 F 2 2 2 32
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 0.008859 0.000000 0.000000 0.00000
SCALE2 0.000000 0.006786 0.000000 0.00000
SCALE3 0.000000 0.000000 0.006517 0.00000
ATOM 1 C ACE A 224A 18.900 42.517 -3.261 1.00 0.00 C
ATOM 2 O ACE A 224A 19.811 43.018 -2.603 1.00 0.00 O
ATOM 3 CH3 ACE A 224A 17.542 43.180 -3.468 1.00 0.00 C
ATOM 4 HH32 ACE A 224A 17.451 43.961 -2.850 1.00 0.00 H
ATOM 5 HH33 ACE A 224A 17.463 43.501 -4.412 1.00 0.00 H
ATOM 6 HH31 ACE A 224A 16.822 42.513 -3.278 1.00 0.00 H
ATOM 7 N MET A 225 18.998 41.367 -3.942 1.00 72.26 N
ATOM 8 CA MET A 225 20.311 40.900 -4.387 1.00 70.80 C
ATOM 9 C MET A 225 20.031 39.678 -5.217 1.00 69.53 C
ATOM 10 O MET A 225 18.958 39.485 -5.739 1.00 68.86 O
ATOM 11 CB MET A 225 21.500 40.772 -3.403 1.00 71.61 C
ATOM 12 CG MET A 225 21.288 39.702 -2.322 1.00 72.49 C
ATOM 13 SD MET A 225 22.737 39.605 -1.238 1.00 76.72 S
ATOM 14 CE MET A 225 23.868 38.589 -2.227 1.00 71.61 C
ATOM 15 H MET A 225 18.178 40.831 -4.145 1.00 0.00 H
ATOM 16 HE1 MET A 225 23.450 37.699 -2.409 1.00 0.00 H
ATOM 17 HB2 MET A 225 22.321 40.540 -3.925 1.00 0.00 H
ATOM 18 HB3 MET A 225 21.639 41.655 -2.954 1.00 0.00 H
ATOM 19 HG2 MET A 225 20.482 39.935 -1.779 1.00 0.00 H
ATOM 20 HG3 MET A 225 21.140 38.814 -2.758 1.00 0.00 H
ATOM 21 HE2 MET A 225 24.057 39.043 -3.098 1.00 0.00 H
ATOM 22 HE3 MET A 225 24.721 38.464 -1.720 1.00 0.00 H
ATOM 23 HA MET A 225 20.725 41.655 -4.895 1.00 0.00 H
ATOM 24 N ASP A 226 21.068 38.695 -5.389 1.00 67.35 N
ATOM 25 CA ASP A 226 20.856 37.440 -6.116 1.00 64.67 C
ATOM 26 C ASP A 226 20.124 36.372 -5.298 1.00 60.64 C
ATOM 27 O ASP A 226 20.680 35.819 -4.350 1.00 61.28 O
ATOM 28 CB ASP A 226 22.208 36.891 -6.585 1.00 68.19 C
ATOM 29 CG ASP A 226 22.073 35.863 -7.698 1.00 72.67 C
ATOM 30 OD1 ASP A 226 21.305 34.891 -7.528 1.00 73.52 O
ATOM 31 OD2 ASP A 226 22.740 36.030 -8.744 1.00 72.20 O1-
ATOM 32 HB2 ASP A 226 22.766 37.652 -6.916 1.00 0.00 H
ATOM 33 HB3 ASP A 226 22.669 36.463 -5.807 1.00 0.00 H
ATOM 34 H ASP A 226 21.970 38.876 -4.997 1.00 0.00 H
ATOM 35 HA ASP A 226 20.266 37.654 -6.894 1.00 0.00 H
ATOM 36 N PRO A 227 18.872 36.053 -5.674 1.00 58.29 N
ATOM 37 CA PRO A 227 18.030 35.055 -4.998 1.00 56.77 C
ATOM 38 C PRO A 227 18.675 33.678 -4.831 1.00 58.61 C
ATOM 39 O PRO A 227 18.457 32.998 -3.823 1.00 57.58 O
ATOM 40 CB PRO A 227 16.788 34.998 -5.883 1.00 55.32 C
ATOM 41 CG PRO A 227 16.706 36.384 -6.435 1.00 57.16 C
ATOM 42 CD PRO A 227 18.142 36.671 -6.796 1.00 56.73 C
ATOM 43 HB2 PRO A 227 16.895 34.323 -6.613 1.00 0.00 H
ATOM 44 HB3 PRO A 227 15.973 34.773 -5.349 1.00 0.00 H
ATOM 45 HG2 PRO A 227 16.113 36.421 -7.239 1.00 0.00 H
ATOM 46 HG3 PRO A 227 16.367 37.030 -5.751 1.00 0.00 H
ATOM 47 HD2 PRO A 227 18.317 37.654 -6.847 1.00 0.00 H
ATOM 48 HD3 PRO A 227 18.390 36.251 -7.669 1.00 0.00 H
ATOM 49 HA PRO A 227 17.846 35.318 -4.051 1.00 0.00 H
ATOM 50 N SER A 228 19.458 33.265 -5.820 1.00 59.84 N
ATOM 51 CA SER A 228 20.130 31.970 -5.772 1.00 62.95 C
ATOM 52 C SER A 228 21.464 32.041 -5.030 1.00 65.13 C
ATOM 53 O SER A 228 22.045 31.009 -4.687 1.00 66.16 O
ATOM 54 CB SER A 228 20.364 31.448 -7.190 1.00 62.28 C
ATOM 55 OG SER A 228 21.180 32.342 -7.927 1.00 62.06 O
ATOM 56 HG SER A 228 21.027 33.272 -7.594 1.00 0.00 H
ATOM 57 HB2 SER A 228 20.811 30.555 -7.143 1.00 0.00 H
ATOM 58 HB3 SER A 228 19.484 31.347 -7.654 1.00 0.00 H
ATOM 59 H SER A 228 19.591 33.855 -6.617 1.00 0.00 H
ATOM 60 HA SER A 228 19.532 31.344 -5.271 1.00 0.00 H
ATOM 61 N SER A 229 21.950 33.254 -4.788 1.00 64.53 N
ATOM 62 CA SER A 229 23.216 33.438 -4.084 1.00 65.76 C
ATOM 63 C SER A 229 23.144 32.932 -2.642 1.00 66.52 C
ATOM 64 O SER A 229 22.121 33.078 -1.969 1.00 64.82 O
ATOM 65 CB SER A 229 23.619 34.915 -4.088 1.00 66.77 C
ATOM 66 OG SER A 229 24.716 35.144 -3.219 1.00 65.78 O
ATOM 67 HG SER A 229 24.954 36.115 -3.244 1.00 0.00 H
ATOM 68 HB2 SER A 229 23.873 35.184 -5.017 1.00 0.00 H
ATOM 69 HB3 SER A 229 22.842 35.470 -3.790 1.00 0.00 H
ATOM 70 H SER A 229 21.438 34.057 -5.094 1.00 0.00 H
ATOM 71 HA SER A 229 23.905 32.900 -4.569 1.00 0.00 H
ATOM 72 N PRO A 230 24.239 32.328 -2.152 1.00 66.91 N
ATOM 73 CA PRO A 230 24.317 31.794 -0.788 1.00 67.68 C
ATOM 74 C PRO A 230 24.165 32.881 0.277 1.00 67.83 C
ATOM 75 O PRO A 230 23.752 32.610 1.407 1.00 68.00 O
ATOM 76 CB PRO A 230 25.702 31.146 -0.751 1.00 67.73 C
ATOM 77 CG PRO A 230 25.937 30.757 -2.179 1.00 67.84 C
ATOM 78 CD PRO A 230 25.446 31.973 -2.918 1.00 66.34 C
ATOM 79 HB2 PRO A 230 26.395 31.794 -0.435 1.00 0.00 H
ATOM 80 HB3 PRO A 230 25.710 30.344 -0.153 1.00 0.00 H
ATOM 81 HG2 PRO A 230 26.906 30.587 -2.357 1.00 0.00 H
ATOM 82 HG3 PRO A 230 25.413 29.942 -2.428 1.00 0.00 H
ATOM 83 HD2 PRO A 230 25.225 31.759 -3.870 1.00 0.00 H
ATOM 84 HD3 PRO A 230 26.122 32.710 -2.899 1.00 0.00 H
ATOM 85 HA PRO A 230 23.577 31.154 -0.582 1.00 0.00 H
ATOM 86 N ASN A 231 24.500 34.112 -0.096 1.00 66.49 N
ATOM 87 CA ASN A 231 24.419 35.239 0.820 1.00 66.05 C
ATOM 88 C ASN A 231 23.237 36.165 0.517 1.00 61.13 C
ATOM 89 O ASN A 231 23.340 37.383 0.669 1.00 58.71 O
ATOM 90 CB ASN A 231 25.726 36.041 0.766 1.00 70.48 C
ATOM 91 CG ASN A 231 26.937 35.212 1.171 1.00 74.28 C
ATOM 92 OD1 ASN A 231 28.067 35.516 0.786 1.00 78.33 O
ATOM 93 ND2 ASN A 231 26.705 34.155 1.942 1.00 74.69 N
ATOM 94 HD21 ASN A 231 25.771 33.940 2.226 1.00 0.00 H
ATOM 95 HB2 ASN A 231 25.861 36.375 -0.167 1.00 0.00 H
ATOM 96 HB3 ASN A 231 25.650 36.824 1.384 1.00 0.00 H
ATOM 97 H ASN A 231 24.816 34.268 -1.032 1.00 0.00 H
ATOM 98 HD22 ASN A 231 27.464 33.576 2.238 1.00 0.00 H
ATOM 99 HA ASN A 231 24.275 34.865 1.736 1.00 0.00 H
ATOM 100 N TYR A 232 22.114 35.592 0.092 1.00 55.17 N
ATOM 101 CA TYR A 232 20.945 36.406 -0.221 1.00 50.20 C
ATOM 102 C TYR A 232 20.279 36.969 1.024 1.00 48.25 C
ATOM 103 O TYR A 232 19.972 36.239 1.967 1.00 52.46 O
ATOM 104 CB TYR A 232 19.891 35.610 -0.998 1.00 46.52 C
ATOM 105 CG TYR A 232 18.676 36.452 -1.349 1.00 43.11 C
ATOM 106 CD1 TYR A 232 18.715 37.356 -2.410 1.00 40.63 C
ATOM 107 CD2 TYR A 232 17.508 36.388 -0.582 1.00 41.66 C
ATOM 108 CE1 TYR A 232 17.625 38.181 -2.699 1.00 42.95 C
ATOM 109 CE2 TYR A 232 16.408 37.211 -0.865 1.00 37.96 C
ATOM 110 CZ TYR A 232 16.478 38.103 -1.920 1.00 39.57 C
ATOM 111 OH TYR A 232 15.420 38.938 -2.193 1.00 40.75 O
ATOM 112 HH TYR A 232 14.683 38.752 -1.544 1.00 0.00 H
ATOM 113 HB2 TYR A 232 20.303 35.267 -1.842 1.00 0.00 H
ATOM 114 HB3 TYR A 232 19.596 34.833 -0.441 1.00 0.00 H
ATOM 115 H TYR A 232 22.071 34.598 -0.013 1.00 0.00 H
ATOM 116 HD1 TYR A 232 19.538 37.415 -2.974 1.00 0.00 H
ATOM 117 HD2 TYR A 232 17.456 35.744 0.181 1.00 0.00 H
ATOM 118 HE1 TYR A 232 17.671 38.825 -3.463 1.00 0.00 H
ATOM 119 HE2 TYR A 232 15.579 37.153 -0.308 1.00 0.00 H
ATOM 120 HA TYR A 232 21.290 37.159 -0.782 1.00 0.00 H
ATOM 121 N ASP A 233 20.052 38.274 1.015 1.00 47.94 N
ATOM 122 CA ASP A 233 19.381 38.943 2.123 1.00 46.79 C
ATOM 123 C ASP A 233 18.290 39.793 1.494 1.00 43.90 C
ATOM 124 O ASP A 233 18.582 40.735 0.759 1.00 40.31 O
ATOM 125 CB ASP A 233 20.348 39.842 2.891 1.00 45.63 C
ATOM 126 CG ASP A 233 19.691 40.507 4.089 1.00 51.78 C
ATOM 127 OD1 ASP A 233 18.531 40.963 3.965 1.00 51.54 O
ATOM 128 OD2 ASP A 233 20.334 40.579 5.155 1.00 53.30 O1-
ATOM 129 HB2 ASP A 233 21.119 39.290 3.209 1.00 0.00 H
ATOM 130 HB3 ASP A 233 20.689 40.552 2.275 1.00 0.00 H
ATOM 131 H ASP A 233 20.349 38.814 0.228 1.00 0.00 H
ATOM 132 HA ASP A 233 19.018 38.276 2.773 1.00 0.00 H
ATOM 133 N LYS A 234 17.035 39.458 1.772 1.00 43.11 N
ATOM 134 CA LYS A 234 15.920 40.208 1.201 1.00 42.42 C
ATOM 135 C LYS A 234 15.946 41.693 1.558 1.00 41.40 C
ATOM 136 O LYS A 234 15.401 42.517 0.828 1.00 39.09 O
ATOM 137 CB LYS A 234 14.591 39.606 1.656 1.00 44.79 C
ATOM 138 CG LYS A 234 14.361 39.637 3.157 1.00 47.10 C
ATOM 139 CD LYS A 234 13.049 38.955 3.503 1.00 49.82 C
ATOM 140 CE LYS A 234 12.810 38.915 5.002 1.00 51.10 C
ATOM 141 NZ LYS A 234 11.495 38.292 5.326 1.00 49.81 N1+
ATOM 142 HZ1 LYS A 234 10.759 38.819 4.901 1.00 0.00 H
ATOM 143 HB2 LYS A 234 13.851 40.113 1.214 1.00 0.00 H
ATOM 144 HB3 LYS A 234 14.558 38.653 1.354 1.00 0.00 H
ATOM 145 HG2 LYS A 234 15.113 39.165 3.617 1.00 0.00 H
ATOM 146 HG3 LYS A 234 14.333 40.586 3.470 1.00 0.00 H
ATOM 147 HD2 LYS A 234 12.299 39.453 3.067 1.00 0.00 H
ATOM 148 HD3 LYS A 234 13.066 38.019 3.152 1.00 0.00 H
ATOM 149 HE2 LYS A 234 13.539 38.386 5.435 1.00 0.00 H
ATOM 150 HE3 LYS A 234 12.827 39.848 5.362 1.00 0.00 H
ATOM 151 HZ2 LYS A 234 11.469 37.356 4.976 1.00 0.00 H
ATOM 152 HZ3 LYS A 234 11.374 38.284 6.319 1.00 0.00 H
ATOM 153 H LYS A 234 16.852 38.684 2.379 1.00 0.00 H
ATOM 154 HA LYS A 234 16.016 40.138 0.208 1.00 0.00 H
ATOM 155 N TRP A 235 16.592 42.035 2.668 1.00 41.10 N
ATOM 156 CA TRP A 235 16.640 43.428 3.108 1.00 40.69 C
ATOM 157 C TRP A 235 17.655 44.316 2.389 1.00 42.11 C
ATOM 158 O TRP A 235 17.481 45.536 2.352 1.00 37.17 O
ATOM 159 CB TRP A 235 16.880 43.494 4.620 1.00 37.95 C
ATOM 160 CG TRP A 235 15.806 42.844 5.432 1.00 34.37 C
ATOM 161 CD1 TRP A 235 15.874 41.640 6.064 1.00 35.72 C
ATOM 162 CD2 TRP A 235 14.500 43.374 5.715 1.00 36.45 C
ATOM 163 NE1 TRP A 235 14.695 41.385 6.729 1.00 38.24 N
ATOM 164 CE2 TRP A 235 13.837 42.434 6.533 1.00 36.83 C
ATOM 165 CE3 TRP A 235 13.830 44.553 5.359 1.00 36.90 C
ATOM 166 CZ2 TRP A 235 12.532 42.635 7.002 1.00 41.62 C
ATOM 167 CZ3 TRP A 235 12.530 44.753 5.827 1.00 40.27 C
ATOM 168 CH2 TRP A 235 11.899 43.799 6.640 1.00 39.51 C
ATOM 169 HB2 TRP A 235 17.749 43.042 4.822 1.00 0.00 H
ATOM 170 HB3 TRP A 235 16.943 44.455 4.890 1.00 0.00 H
ATOM 171 H TRP A 235 17.051 41.330 3.209 1.00 0.00 H
ATOM 172 HD1 TRP A 235 16.666 41.029 6.048 1.00 0.00 H
ATOM 173 HE1 TRP A 235 14.498 40.566 7.268 1.00 0.00 H
ATOM 174 HE3 TRP A 235 14.275 45.237 4.781 1.00 0.00 H
ATOM 175 HZ2 TRP A 235 12.078 41.956 7.579 1.00 0.00 H
ATOM 176 HZ3 TRP A 235 12.041 45.589 5.579 1.00 0.00 H
ATOM 177 HH2 TRP A 235 10.968 43.970 6.963 1.00 0.00 H
ATOM 178 HA TRP A 235 15.745 43.802 2.864 1.00 0.00 H
ATOM 179 N GLU A 236 18.707 43.718 1.824 1.00 42.48 N
ATOM 180 CA GLU A 236 19.727 44.491 1.106 1.00 43.64 C
ATOM 181 C GLU A 236 19.069 45.163 -0.084 1.00 46.41 C
ATOM 182 O GLU A 236 18.358 44.516 -0.849 1.00 48.57 O
ATOM 183 CB GLU A 236 20.851 43.585 0.592 1.00 43.17 C
ATOM 184 CG GLU A 236 21.694 42.897 1.661 1.00 45.14 C
ATOM 185 CD GLU A 236 22.663 43.841 2.361 1.00 49.61 C
ATOM 186 OE1 GLU A 236 22.934 44.936 1.823 1.00 47.60 O
ATOM 187 OE2 GLU A 236 23.164 43.476 3.444 1.00 51.07 O1-
ATOM 188 HB2 GLU A 236 20.438 42.876 0.021 1.00 0.00 H
ATOM 189 HB3 GLU A 236 21.462 44.141 0.029 1.00 0.00 H
ATOM 190 HG2 GLU A 236 21.081 42.502 2.345 1.00 0.00 H
ATOM 191 HG3 GLU A 236 22.219 42.162 1.231 1.00 0.00 H
ATOM 192 H GLU A 236 18.801 42.725 1.891 1.00 0.00 H
ATOM 193 HA GLU A 236 20.121 45.163 1.734 1.00 0.00 H
ATOM 194 N MET A 237 19.307 46.458 -0.255 1.00 47.75 N
ATOM 195 CA MET A 237 18.703 47.171 -1.370 1.00 52.18 C
ATOM 196 C MET A 237 19.714 48.005 -2.133 1.00 54.03 C
ATOM 197 O MET A 237 20.879 48.089 -1.750 1.00 53.01 O
ATOM 198 CB MET A 237 17.558 48.060 -0.877 1.00 54.76 C
ATOM 199 CG MET A 237 17.972 49.157 0.078 1.00 62.51 C
ATOM 200 SD MET A 237 16.541 50.099 0.657 1.00 74.54 S
ATOM 201 CE MET A 237 16.249 51.168 -0.757 1.00 74.99 C
ATOM 202 HE1 MET A 237 17.058 51.730 -0.927 1.00 0.00 H
ATOM 203 HB2 MET A 237 17.127 48.484 -1.673 1.00 0.00 H
ATOM 204 HB3 MET A 237 16.888 47.480 -0.414 1.00 0.00 H
ATOM 205 HG2 MET A 237 18.436 48.749 0.864 1.00 0.00 H
ATOM 206 HG3 MET A 237 18.605 49.776 -0.387 1.00 0.00 H
ATOM 207 HE2 MET A 237 16.063 50.613 -1.568 1.00 0.00 H
ATOM 208 HE3 MET A 237 15.464 51.756 -0.564 1.00 0.00 H
ATOM 209 H MET A 237 19.903 46.944 0.384 1.00 0.00 H
ATOM 210 HA MET A 237 18.344 46.482 -2.000 1.00 0.00 H
ATOM 211 N GLU A 238 19.253 48.629 -3.211 1.00 56.90 N
ATOM 212 CA GLU A 238 20.119 49.443 -4.043 1.00 61.36 C
ATOM 213 C GLU A 238 20.302 50.860 -3.517 1.00 62.92 C
ATOM 214 O GLU A 238 19.362 51.656 -3.465 1.00 61.45 O
ATOM 215 CB GLU A 238 19.585 49.483 -5.477 1.00 66.85 C
ATOM 216 CG GLU A 238 20.532 50.154 -6.465 1.00 75.99 C
ATOM 217 CD GLU A 238 21.924 49.538 -6.452 1.00 80.91 C
ATOM 218 OE1 GLU A 238 22.046 48.328 -6.750 1.00 83.02 O
ATOM 219 OE2 GLU A 238 22.896 50.263 -6.139 1.00 81.87 O1-
ATOM 220 HB2 GLU A 238 19.421 48.544 -5.781 1.00 0.00 H
ATOM 221 HB3 GLU A 238 18.718 49.982 -5.480 1.00 0.00 H
ATOM 222 HG2 GLU A 238 20.150 50.069 -7.385 1.00 0.00 H
ATOM 223 HG3 GLU A 238 20.607 51.124 -6.232 1.00 0.00 H
ATOM 224 H GLU A 238 18.288 48.536 -3.455 1.00 0.00 H
ATOM 225 HA GLU A 238 21.021 49.011 -4.024 1.00 0.00 H
ATOM 226 N ARG A 239 21.535 51.154 -3.126 1.00 62.34 N
ATOM 227 CA ARG A 239 21.921 52.457 -2.607 1.00 65.10 C
ATOM 228 C ARG A 239 21.474 53.577 -3.547 1.00 64.58 C
ATOM 229 O ARG A 239 21.137 54.672 -3.107 1.00 65.28 O
ATOM 230 CB ARG A 239 23.441 52.482 -2.450 1.00 66.01 C
ATOM 231 CG ARG A 239 24.041 53.792 -1.994 1.00 70.00 C
ATOM 232 CD ARG A 239 25.554 53.726 -2.154 1.00 69.64 C
ATOM 233 NE ARG A 239 26.097 52.512 -1.549 1.00 67.44 N
ATOM 234 CZ ARG A 239 26.127 52.277 -0.242 1.00 65.26 C
ATOM 235 NH1 ARG A 239 25.647 53.180 0.602 1.00 65.80 N
ATOM 236 NH2 ARG A 239 26.621 51.138 0.221 1.00 60.60 N1+
ATOM 237 HH11 ARG A 239 25.264 54.036 0.254 1.00 0.00 H
ATOM 238 HH21 ARG A 239 26.973 50.451 -0.414 1.00 0.00 H
ATOM 239 HB2 ARG A 239 23.692 51.780 -1.784 1.00 0.00 H
ATOM 240 HB3 ARG A 239 23.846 52.251 -3.335 1.00 0.00 H
ATOM 241 HG2 ARG A 239 23.675 54.541 -2.547 1.00 0.00 H
ATOM 242 HG3 ARG A 239 23.810 53.953 -1.034 1.00 0.00 H
ATOM 243 HD2 ARG A 239 25.781 53.738 -3.128 1.00 0.00 H
ATOM 244 HD3 ARG A 239 25.966 54.524 -1.714 1.00 0.00 H
ATOM 245 H ARG A 239 22.235 50.443 -3.191 1.00 0.00 H
ATOM 246 HE ARG A 239 26.470 51.813 -2.158 1.00 0.00 H
ATOM 247 HH12 ARG A 239 25.668 53.005 1.586 1.00 0.00 H
ATOM 248 HH22 ARG A 239 26.641 50.966 1.206 1.00 0.00 H
ATOM 249 HA ARG A 239 21.477 52.606 -1.724 1.00 0.00 H
ATOM 250 N THR A 240 21.471 53.281 -4.843 1.00 66.16 N
ATOM 251 CA THR A 240 21.093 54.241 -5.879 1.00 67.57 C
ATOM 252 C THR A 240 19.599 54.568 -5.913 1.00 68.41 C
ATOM 253 O THR A 240 19.195 55.617 -6.420 1.00 66.88 O
ATOM 254 CB THR A 240 21.515 53.720 -7.272 1.00 68.91 C
ATOM 255 OG1 THR A 240 22.941 53.585 -7.318 1.00 70.67 O
ATOM 256 CG2 THR A 240 21.063 54.672 -8.368 1.00 68.90 C
ATOM 257 HG21 THR A 240 20.067 54.762 -8.346 1.00 0.00 H
ATOM 258 HG1 THR A 240 23.191 52.664 -7.018 1.00 0.00 H
ATOM 259 HG22 THR A 240 21.474 55.572 -8.224 1.00 0.00 H
ATOM 260 HG23 THR A 240 21.350 54.308 -9.254 1.00 0.00 H
ATOM 261 H THR A 240 21.740 52.359 -5.122 1.00 0.00 H
ATOM 262 HA THR A 240 21.575 55.086 -5.646 1.00 0.00 H
ATOM 263 HB THR A 240 21.081 52.832 -7.423 1.00 0.00 H
ATOM 264 N ASP A 241 18.786 53.665 -5.375 1.00 69.49 N
ATOM 265 CA ASP A 241 17.336 53.846 -5.338 1.00 70.98 C
ATOM 266 C ASP A 241 16.904 54.992 -4.425 1.00 69.74 C
ATOM 267 O ASP A 241 15.808 55.537 -4.577 1.00 67.19 O
ATOM 268 CB ASP A 241 16.661 52.554 -4.867 1.00 73.87 C
ATOM 269 CG ASP A 241 16.602 51.497 -5.949 1.00 76.31 C
ATOM 270 OD1 ASP A 241 17.617 51.294 -6.648 1.00 77.15 O
ATOM 271 OD2 ASP A 241 15.537 50.860 -6.092 1.00 78.66 O1-
ATOM 272 HB2 ASP A 241 17.172 52.190 -4.088 1.00 0.00 H
ATOM 273 HB3 ASP A 241 15.729 52.766 -4.574 1.00 0.00 H
ATOM 274 H ASP A 241 19.179 52.834 -4.982 1.00 0.00 H
ATOM 275 HA ASP A 241 17.052 54.076 -6.269 1.00 0.00 H
ATOM 276 N ILE A 242 17.769 55.356 -3.483 1.00 68.06 N
ATOM 277 CA ILE A 242 17.455 56.412 -2.527 1.00 66.29 C
ATOM 278 C ILE A 242 18.124 57.755 -2.798 1.00 66.55 C
ATOM 279 O ILE A 242 19.335 57.833 -2.995 1.00 66.04 O
ATOM 280 CB ILE A 242 17.825 55.973 -1.099 1.00 64.69 C
ATOM 281 CG1 ILE A 242 17.131 54.649 -0.771 1.00 64.66 C
ATOM 282 CG2 ILE A 242 17.426 57.054 -0.105 1.00 63.57 C
ATOM 283 CD1 ILE A 242 17.619 53.993 0.503 1.00 64.35 C
ATOM 284 HG21 ILE A 242 17.904 57.905 -0.323 1.00 0.00 H
ATOM 285 HD11 ILE A 242 18.598 53.802 0.430 1.00 0.00 H
ATOM 286 HG12 ILE A 242 16.150 54.821 -0.682 1.00 0.00 H
ATOM 287 HG13 ILE A 242 17.283 54.016 -1.530 1.00 0.00 H
ATOM 288 HG22 ILE A 242 16.440 57.212 -0.156 1.00 0.00 H
ATOM 289 HG23 ILE A 242 17.672 56.755 0.817 1.00 0.00 H
ATOM 290 HD12 ILE A 242 17.464 54.605 1.279 1.00 0.00 H
ATOM 291 HD13 ILE A 242 17.117 53.139 0.642 1.00 0.00 H
ATOM 292 H ILE A 242 18.655 54.895 -3.429 1.00 0.00 H
ATOM 293 HA ILE A 242 16.471 56.553 -2.631 1.00 0.00 H
ATOM 294 HB ILE A 242 18.814 55.838 -1.037 1.00 0.00 H
ATOM 295 N THR A 243 17.317 58.810 -2.800 1.00 67.08 N
ATOM 296 CA THR A 243 17.809 60.165 -3.013 1.00 69.10 C
ATOM 297 C THR A 243 18.158 60.737 -1.640 1.00 67.42 C
ATOM 298 O THR A 243 17.268 61.072 -0.860 1.00 65.86 O
ATOM 299 CB THR A 243 16.723 61.058 -3.662 1.00 71.41 C
ATOM 300 OG1 THR A 243 16.308 60.485 -4.907 1.00 74.68 O
ATOM 301 CG2 THR A 243 17.256 62.463 -3.911 1.00 70.63 C
ATOM 302 HG21 THR A 243 17.537 62.875 -3.044 1.00 0.00 H
ATOM 303 HG1 THR A 243 15.935 59.573 -4.737 1.00 0.00 H
ATOM 304 HG22 THR A 243 18.046 62.421 -4.523 1.00 0.00 H
ATOM 305 HG23 THR A 243 16.535 63.015 -4.329 1.00 0.00 H
ATOM 306 H THR A 243 16.338 58.670 -2.650 1.00 0.00 H
ATOM 307 HA THR A 243 18.600 60.144 -3.624 1.00 0.00 H
ATOM 308 HB THR A 243 15.946 61.114 -3.035 1.00 0.00 H
ATOM 309 N MET A 244 19.450 60.830 -1.338 1.00 65.51 N
ATOM 310 CA MET A 244 19.892 61.353 -0.051 1.00 64.75 C
ATOM 311 C MET A 244 19.727 62.860 0.028 1.00 67.28 C
ATOM 312 O MET A 244 19.970 63.570 -0.948 1.00 69.88 O
ATOM 313 CB MET A 244 21.354 60.988 0.194 1.00 63.74 C
ATOM 314 CG MET A 244 21.583 59.510 0.384 1.00 61.24 C
ATOM 315 SD MET A 244 20.719 58.906 1.833 1.00 60.02 S
ATOM 316 CE MET A 244 21.935 59.234 3.099 1.00 55.60 C
ATOM 317 HE1 MET A 244 22.777 58.735 2.894 1.00 0.00 H
ATOM 318 HB2 MET A 244 21.894 61.296 -0.589 1.00 0.00 H
ATOM 319 HB3 MET A 244 21.669 61.466 1.014 1.00 0.00 H
ATOM 320 HG2 MET A 244 21.254 59.020 -0.424 1.00 0.00 H
ATOM 321 HG3 MET A 244 22.563 59.340 0.491 1.00 0.00 H
ATOM 322 HE2 MET A 244 22.136 60.213 3.129 1.00 0.00 H
ATOM 323 HE3 MET A 244 21.573 58.937 3.983 1.00 0.00 H
ATOM 324 H MET A 244 20.132 60.535 -2.007 1.00 0.00 H
ATOM 325 HA MET A 244 19.318 60.937 0.654 1.00 0.00 H
ATOM 326 N LYS A 245 19.315 63.343 1.194 1.00 67.03 N
ATOM 327 CA LYS A 245 19.118 64.772 1.392 1.00 66.74 C
ATOM 328 C LYS A 245 19.884 65.301 2.595 1.00 67.96 C
ATOM 329 O LYS A 245 20.999 64.863 2.881 1.00 70.43 O
ATOM 330 CB LYS A 245 17.628 65.083 1.548 1.00 66.80 C
ATOM 331 CG LYS A 245 16.826 64.930 0.269 1.00 68.53 C
ATOM 332 CD LYS A 245 15.367 65.268 0.505 1.00 69.73 C
ATOM 333 CE LYS A 245 14.579 65.260 -0.793 1.00 72.27 C
ATOM 334 NZ LYS A 245 13.135 65.565 -0.566 1.00 71.73 N1+
ATOM 335 HZ1 LYS A 245 12.739 64.881 0.047 1.00 0.00 H
ATOM 336 HB2 LYS A 245 17.247 64.465 2.236 1.00 0.00 H
ATOM 337 HB3 LYS A 245 17.533 66.025 1.869 1.00 0.00 H
ATOM 338 HG2 LYS A 245 17.198 65.542 -0.428 1.00 0.00 H
ATOM 339 HG3 LYS A 245 16.897 63.987 -0.055 1.00 0.00 H
ATOM 340 HD2 LYS A 245 14.973 64.596 1.132 1.00 0.00 H
ATOM 341 HD3 LYS A 245 15.304 66.176 0.920 1.00 0.00 H
ATOM 342 HE2 LYS A 245 14.964 65.945 -1.411 1.00 0.00 H
ATOM 343 HE3 LYS A 245 14.658 64.358 -1.217 1.00 0.00 H
ATOM 344 HZ2 LYS A 245 13.042 66.469 -0.148 1.00 0.00 H
ATOM 345 HZ3 LYS A 245 12.657 65.549 -1.444 1.00 0.00 H
ATOM 346 H LYS A 245 19.137 62.714 1.950 1.00 0.00 H
ATOM 347 HA LYS A 245 19.477 65.233 0.581 1.00 0.00 H
ATOM 348 N HIS A 246 19.272 66.250 3.294 1.00 67.70 N
ATOM 349 CA HIS A 246 19.872 66.876 4.464 1.00 68.02 C
ATOM 350 C HIS A 246 19.775 65.984 5.698 1.00 65.33 C
ATOM 351 O HIS A 246 19.018 65.011 5.714 1.00 63.74 O
ATOM 352 CB HIS A 246 19.161 68.198 4.741 1.00 71.81 C
ATOM 353 CG HIS A 246 17.680 68.052 4.906 1.00 75.53 C
ATOM 354 ND1 HIS A 246 16.778 68.583 4.008 1.00 77.95 N
ATOM 355 CD2 HIS A 246 16.944 67.475 5.885 1.00 78.35 C
ATOM 356 CE1 HIS A 246 15.548 68.340 4.429 1.00 78.87 C
ATOM 357 NE2 HIS A 246 15.621 67.669 5.564 1.00 79.65 N
ATOM 358 HB2 HIS A 246 19.539 68.593 5.578 1.00 0.00 H
ATOM 359 HB3 HIS A 246 19.337 68.821 3.979 1.00 0.00 H
ATOM 360 H HIS A 246 18.362 66.547 3.005 1.00 0.00 H
ATOM 361 HD2 HIS A 246 17.296 66.997 6.689 1.00 0.00 H
ATOM 362 HE1 HIS A 246 14.706 68.616 3.966 1.00 0.00 H
ATOM 363 HE2 HIS A 246 14.840 67.354 6.104 1.00 0.00 H
ATOM 364 HA HIS A 246 20.841 67.029 4.272 1.00 0.00 H
ATOM 365 N LYS A 247 20.543 66.322 6.729 1.00 61.87 N
ATOM 366 CA LYS A 247 20.520 65.560 7.968 1.00 61.27 C
ATOM 367 C LYS A 247 19.179 65.815 8.633 1.00 60.24 C
ATOM 368 O LYS A 247 18.655 66.930 8.591 1.00 59.45 O
ATOM 369 CB LYS A 247 21.648 65.995 8.900 1.00 60.33 C
ATOM 370 CG LYS A 247 23.024 65.863 8.293 1.00 62.87 C
ATOM 371 CD LYS A 247 24.113 66.062 9.331 1.00 65.68 C
ATOM 372 CE LYS A 247 24.133 64.927 10.339 1.00 63.92 C
ATOM 373 NZ LYS A 247 25.293 65.045 11.268 1.00 66.62 N1+
ATOM 374 HZ1 LYS A 247 26.053 65.497 10.802 1.00 0.00 H
ATOM 375 HB2 LYS A 247 21.501 66.952 9.150 1.00 0.00 H
ATOM 376 HB3 LYS A 247 21.611 65.434 9.727 1.00 0.00 H
ATOM 377 HG2 LYS A 247 23.117 64.952 7.891 1.00 0.00 H
ATOM 378 HG3 LYS A 247 23.131 66.548 7.573 1.00 0.00 H
ATOM 379 HD2 LYS A 247 24.999 66.107 8.870 1.00 0.00 H
ATOM 380 HD3 LYS A 247 23.953 66.924 9.813 1.00 0.00 H
ATOM 381 HE2 LYS A 247 23.285 64.946 10.869 1.00 0.00 H
ATOM 382 HE3 LYS A 247 24.192 64.056 9.851 1.00 0.00 H
ATOM 383 HZ2 LYS A 247 25.032 65.588 12.067 1.00 0.00 H
ATOM 384 HZ3 LYS A 247 25.571 64.130 11.559 1.00 0.00 H
ATOM 385 H LYS A 247 21.148 67.115 6.651 1.00 0.00 H
ATOM 386 HA LYS A 247 20.648 64.588 7.772 1.00 0.00 H
ATOM 387 N LEU A 248 18.630 64.773 9.242 1.00 58.44 N
ATOM 388 CA LEU A 248 17.339 64.855 9.905 1.00 59.05 C
ATOM 389 C LEU A 248 17.397 65.620 11.223 1.00 59.56 C
ATOM 390 O LEU A 248 18.366 65.514 11.978 1.00 57.75 O
ATOM 391 CB LEU A 248 16.810 63.440 10.145 1.00 57.98 C
ATOM 392 CG LEU A 248 15.358 63.175 9.766 1.00 55.91 C
ATOM 393 CD1 LEU A 248 15.080 63.715 8.373 1.00 58.37 C
ATOM 394 CD2 LEU A 248 15.095 61.687 9.833 1.00 56.69 C
ATOM 395 HD11 LEU A 248 15.843 64.289 8.076 1.00 0.00 H
ATOM 396 HD21 LEU A 248 15.702 61.209 9.199 1.00 0.00 H
ATOM 397 HB2 LEU A 248 17.382 62.809 9.621 1.00 0.00 H
ATOM 398 HB3 LEU A 248 16.911 63.238 11.119 1.00 0.00 H
ATOM 399 HD12 LEU A 248 14.975 62.956 7.731 1.00 0.00 H
ATOM 400 HD13 LEU A 248 14.239 64.256 8.395 1.00 0.00 H
ATOM 401 HD22 LEU A 248 15.267 61.355 10.760 1.00 0.00 H
ATOM 402 HD23 LEU A 248 14.142 61.513 9.584 1.00 0.00 H
ATOM 403 H LEU A 248 19.120 63.902 9.245 1.00 0.00 H
ATOM 404 HA LEU A 248 16.723 65.365 9.305 1.00 0.00 H
ATOM 405 HG LEU A 248 14.747 63.641 10.406 1.00 0.00 H
ATOM 406 N GLY A 249 16.350 66.397 11.488 1.00 62.66 N
ATOM 407 CA GLY A 249 16.273 67.164 12.721 1.00 66.14 C
ATOM 408 C GLY A 249 17.475 68.037 13.027 1.00 67.59 C
ATOM 409 O GLY A 249 17.993 68.019 14.145 1.00 68.56 O
ATOM 410 HA2 GLY A 249 15.467 67.754 12.668 1.00 0.00 H
ATOM 411 HA3 GLY A 249 16.157 66.522 13.479 1.00 0.00 H
ATOM 412 H GLY A 249 15.602 66.455 10.827 1.00 0.00 H
ATOM 413 N GLY A 250 17.921 68.803 12.040 1.00 68.57 N
ATOM 414 CA GLY A 250 19.059 69.681 12.245 1.00 70.68 C
ATOM 415 C GLY A 250 20.260 69.044 12.921 1.00 69.94 C
ATOM 416 O GLY A 250 21.095 69.747 13.488 1.00 71.58 O
ATOM 417 HA2 GLY A 250 19.351 70.024 11.352 1.00 0.00 H
ATOM 418 HA3 GLY A 250 18.760 70.452 12.807 1.00 0.00 H
ATOM 419 H GLY A 250 17.470 68.775 11.148 1.00 0.00 H
ATOM 420 N GLY A 251 20.346 67.717 12.878 1.00 69.04 N
ATOM 421 CA GLY A 251 21.479 67.032 13.478 1.00 63.27 C
ATOM 422 C GLY A 251 21.268 66.389 14.837 1.00 61.05 C
ATOM 423 O GLY A 251 22.176 65.729 15.346 1.00 58.23 O
ATOM 424 HA2 GLY A 251 21.766 66.313 12.845 1.00 0.00 H
ATOM 425 HA3 GLY A 251 22.220 67.698 13.572 1.00 0.00 H
ATOM 426 H GLY A 251 19.626 67.187 12.430 1.00 0.00 H
ATOM 427 N GLN A 252 20.087 66.561 15.427 1.00 59.44 N
ATOM 428 CA GLN A 252 19.812 65.988 16.745 1.00 57.04 C
ATOM 429 C GLN A 252 19.933 64.466 16.803 1.00 56.80 C
ATOM 430 O GLN A 252 20.284 63.907 17.845 1.00 56.74 O
ATOM 431 CB GLN A 252 18.423 66.423 17.244 1.00 60.05 C
ATOM 432 CG GLN A 252 17.242 65.992 16.377 1.00 62.36 C
ATOM 433 CD GLN A 252 15.912 66.573 16.858 1.00 64.34 C
ATOM 434 OE1 GLN A 252 15.198 67.235 16.105 1.00 66.78 O
ATOM 435 NE2 GLN A 252 15.583 66.329 18.121 1.00 61.51 N
ATOM 436 HE21 GLN A 252 16.193 65.791 18.702 1.00 0.00 H
ATOM 437 HB2 GLN A 252 18.291 66.042 18.159 1.00 0.00 H
ATOM 438 HB3 GLN A 252 18.414 67.421 17.303 1.00 0.00 H
ATOM 439 HG2 GLN A 252 17.405 66.295 15.438 1.00 0.00 H
ATOM 440 HG3 GLN A 252 17.180 64.994 16.390 1.00 0.00 H
ATOM 441 H GLN A 252 19.377 67.090 14.962 1.00 0.00 H
ATOM 442 HE22 GLN A 252 14.724 66.684 18.491 1.00 0.00 H
ATOM 443 HA GLN A 252 20.524 66.348 17.348 1.00 0.00 H
ATOM 444 N TYR A 253 19.661 63.788 15.690 1.00 53.49 N
ATOM 445 CA TYR A 253 19.748 62.330 15.675 1.00 51.78 C
ATOM 446 C TYR A 253 21.114 61.803 15.262 1.00 51.62 C
ATOM 447 O TYR A 253 21.383 60.608 15.366 1.00 51.47 O
ATOM 448 CB TYR A 253 18.684 61.745 14.752 1.00 48.86 C
ATOM 449 CG TYR A 253 17.280 61.965 15.248 1.00 43.94 C
ATOM 450 CD1 TYR A 253 16.403 62.805 14.570 1.00 40.72 C
ATOM 451 CD2 TYR A 253 16.831 61.342 16.412 1.00 47.98 C
ATOM 452 CE1 TYR A 253 15.107 63.019 15.037 1.00 43.42 C
ATOM 453 CE2 TYR A 253 15.541 61.550 16.888 1.00 46.35 C
ATOM 454 CZ TYR A 253 14.686 62.386 16.197 1.00 42.81 C
ATOM 455 OH TYR A 253 13.415 62.581 16.674 1.00 48.55 O
ATOM 456 HH TYR A 253 13.424 62.493 17.670 1.00 0.00 H
ATOM 457 HB2 TYR A 253 18.775 62.169 13.851 1.00 0.00 H
ATOM 458 HB3 TYR A 253 18.841 60.761 14.665 1.00 0.00 H
ATOM 459 H TYR A 253 19.396 64.279 14.860 1.00 0.00 H
ATOM 460 HD1 TYR A 253 16.707 63.263 13.735 1.00 0.00 H
ATOM 461 HD2 TYR A 253 17.448 60.735 16.913 1.00 0.00 H
ATOM 462 HE1 TYR A 253 14.485 63.624 14.539 1.00 0.00 H
ATOM 463 HE2 TYR A 253 15.235 61.097 17.725 1.00 0.00 H
ATOM 464 HA TYR A 253 19.595 62.038 16.619 1.00 0.00 H
ATOM 465 N GLY A 254 21.979 62.693 14.800 1.00 53.67 N
ATOM 466 CA GLY A 254 23.299 62.270 14.381 1.00 51.94 C
ATOM 467 C GLY A 254 23.345 62.070 12.881 1.00 52.22 C
ATOM 468 O GLY A 254 22.706 62.814 12.134 1.00 51.39 O
ATOM 469 HA2 GLY A 254 23.967 62.967 14.643 1.00 0.00 H
ATOM 470 HA3 GLY A 254 23.531 61.410 14.836 1.00 0.00 H
ATOM 471 H GLY A 254 21.721 63.657 14.740 1.00 0.00 H
ATOM 472 N GLU A 255 24.092 61.062 12.443 1.00 49.22 N
ATOM 473 CA GLU A 255 24.235 60.764 11.024 1.00 49.63 C
ATOM 474 C GLU A 255 22.998 60.105 10.419 1.00 48.16 C
ATOM 475 O GLU A 255 23.084 59.030 9.823 1.00 46.17 O
ATOM 476 CB GLU A 255 25.452 59.865 10.796 1.00 53.08 C
ATOM 477 CG GLU A 255 26.788 60.532 11.103 1.00 61.51 C
ATOM 478 CD GLU A 255 27.021 61.787 10.274 1.00 66.06 C
ATOM 479 OE1 GLU A 255 26.880 61.719 9.034 1.00 66.28 O
ATOM 480 OE2 GLU A 255 27.350 62.840 10.863 1.00 69.86 O1-
ATOM 481 HB2 GLU A 255 25.361 59.057 11.379 1.00 0.00 H
ATOM 482 HB3 GLU A 255 25.457 59.576 9.839 1.00 0.00 H
ATOM 483 HG2 GLU A 255 26.810 60.777 12.072 1.00 0.00 H
ATOM 484 HG3 GLU A 255 27.524 59.882 10.915 1.00 0.00 H
ATOM 485 H GLU A 255 24.571 60.490 13.109 1.00 0.00 H
ATOM 486 HA GLU A 255 24.357 61.642 10.562 1.00 0.00 H
ATOM 487 N VAL A 256 21.848 60.752 10.579 1.00 43.76 N
ATOM 488 CA VAL A 256 20.605 60.238 10.025 1.00 41.44 C
ATOM 489 C VAL A 256 20.060 61.267 9.052 1.00 42.09 C
ATOM 490 O VAL A 256 19.820 62.413 9.424 1.00 43.44 O
ATOM 491 CB VAL A 256 19.565 59.973 11.121 1.00 40.49 C
ATOM 492 CG1 VAL A 256 18.282 59.447 10.490 1.00 36.23 C
ATOM 493 CG2 VAL A 256 20.120 58.966 12.129 1.00 35.69 C
ATOM 494 HG11 VAL A 256 17.922 60.122 9.846 1.00 0.00 H
ATOM 495 HG21 VAL A 256 20.337 58.108 11.663 1.00 0.00 H
ATOM 496 HG12 VAL A 256 18.471 58.597 9.999 1.00 0.00 H
ATOM 497 HG13 VAL A 256 17.610 59.277 11.211 1.00 0.00 H
ATOM 498 HG22 VAL A 256 20.953 59.329 12.546 1.00 0.00 H
ATOM 499 HG23 VAL A 256 19.433 58.802 12.837 1.00 0.00 H
ATOM 500 H VAL A 256 21.837 61.611 11.091 1.00 0.00 H
ATOM 501 HA VAL A 256 20.790 59.369 9.566 1.00 0.00 H
ATOM 502 HB VAL A 256 19.361 60.825 11.603 1.00 0.00 H
ATOM 503 N TYR A 257 19.860 60.853 7.808 1.00 42.35 N
ATOM 504 CA TYR A 257 19.384 61.766 6.780 1.00 44.91 C
ATOM 505 C TYR A 257 17.996 61.466 6.244 1.00 45.99 C
ATOM 506 O TYR A 257 17.520 60.329 6.295 1.00 45.15 O
ATOM 507 CB TYR A 257 20.361 61.775 5.593 1.00 43.74 C
ATOM 508 CG TYR A 257 21.788 62.119 5.957 1.00 44.36 C
ATOM 509 CD1 TYR A 257 22.560 61.253 6.733 1.00 44.33 C
ATOM 510 CD2 TYR A 257 22.361 63.317 5.540 1.00 46.49 C
ATOM 511 CE1 TYR A 257 23.862 61.576 7.091 1.00 49.80 C
ATOM 512 CE2 TYR A 257 23.667 63.653 5.892 1.00 49.96 C
ATOM 513 CZ TYR A 257 24.410 62.780 6.670 1.00 53.56 C
ATOM 514 OH TYR A 257 25.687 63.126 7.057 1.00 56.22 O
ATOM 515 HH TYR A 257 26.061 62.398 7.632 1.00 0.00 H
ATOM 516 HB2 TYR A 257 20.353 60.867 5.174 1.00 0.00 H
ATOM 517 HB3 TYR A 257 20.038 62.445 4.924 1.00 0.00 H
ATOM 518 H TYR A 257 20.039 59.898 7.573 1.00 0.00 H
ATOM 519 HD1 TYR A 257 22.168 60.384 7.037 1.00 0.00 H
ATOM 520 HD2 TYR A 257 21.826 63.948 4.978 1.00 0.00 H
ATOM 521 HE1 TYR A 257 24.402 60.945 7.649 1.00 0.00 H
ATOM 522 HE2 TYR A 257 24.065 64.518 5.585 1.00 0.00 H
ATOM 523 HA TYR A 257 19.332 62.655 7.234 1.00 0.00 H
ATOM 524 N GLU A 258 17.349 62.506 5.736 1.00 45.89 N
ATOM 525 CA GLU A 258 16.044 62.345 5.125 1.00 50.20 C
ATOM 526 C GLU A 258 16.372 61.850 3.724 1.00 49.54 C
ATOM 527 O GLU A 258 17.372 62.259 3.134 1.00 48.75 O
ATOM 528 CB GLU A 258 15.304 63.681 5.031 1.00 51.89 C
ATOM 529 CG GLU A 258 13.954 63.575 4.328 1.00 57.93 C