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2176 lines (2176 loc) · 172 KB
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HEADER HYDROLASE 04-DEC-01 1KJF
TITLE SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION
TITLE 2 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL
TITLE 3 STRUCTURES OF SIX SUBSTRATE COMPLEXES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: POL POLYPROTEIN;
COMPND 3 CHAIN: A, B;
COMPND 4 FRAGMENT: HIV-1 PROTEASE, RESIDUES 57-155;
COMPND 5 EC: 3.4.23.16;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES;
COMPND 8 MOL_ID: 2;
COMPND 9 MOLECULE: GAG POLYPROTEIN;
COMPND 10 CHAIN: P;
COMPND 11 FRAGMENT: P1-P6 SUBSTRATE PEPTIDE, RESIDUES 443-452;
COMPND 12 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;
SOURCE 3 ORGANISM_TAXID: 11676;
SOURCE 4 GENE: POL;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 MOL_ID: 2;
SOURCE 8 SYNTHETIC: YES
KEYWDS P1-P6, SUBSTRATE RECOGNITION, HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR C.A.SCHIFFER
REVDAT 3 24-FEB-09 1KJF 1 VERSN
REVDAT 2 01-APR-03 1KJF 1 JRNL
REVDAT 1 06-MAR-02 1KJF 0
JRNL AUTH M.PRABU-JEYABALAN,E.NALIVAIKA,C.A.SCHIFFER
JRNL TITL SUBSTRATE SHAPE DETERMINES SPECIFICITY OF
JRNL TITL 2 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF
JRNL TITL 3 CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES.
JRNL REF STRUCTURE V. 10 369 2002
JRNL REFN ISSN 0969-2126
JRNL PMID 12005435
JRNL DOI 10.1016/S0969-2126(02)00720-7
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 0.9
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) : 2.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.82
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 189103.100
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.4
REMARK 3 NUMBER OF REFLECTIONS : 12376
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) : 0.203
REMARK 3 FREE R VALUE : 0.251
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300
REMARK 3 FREE R VALUE TEST SET COUNT : 1208
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007
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 : 1623
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 16
REMARK 3 SOLVENT ATOMS : 101
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 22.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.30
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -2.23000
REMARK 3 B22 (A**2) : -0.87000
REMARK 3 B33 (A**2) : 3.11000
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) : 0.24
REMARK 3 ESD FROM SIGMAA (A) : 0.26
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) : 0.33
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.34
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.006
REMARK 3 BOND ANGLES (DEGREES) : 1.30
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.10
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.87
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) : 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 : FLAT MODEL
REMARK 3 KSOL : 0.35
REMARK 3 BSOL : 66.38
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 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 3 : ION.PARAM
REMARK 3 PARAMETER FILE 4 : ACE.PARAM
REMARK 3 PARAMETER FILE 5 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : WATER.TOP
REMARK 3 TOPOLOGY FILE 3 : ION.TOP
REMARK 3 TOPOLOGY FILE 4 : ACE.TOP
REMARK 3 TOPOLOGY FILE 5 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1KJF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-DEC-01.
REMARK 100 THE RCSB ID CODE IS RCSB015012.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 07-JUL-99
REMARK 200 TEMPERATURE (KELVIN) : 298.0
REMARK 200 PH : NULL
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
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : YALE MIRRORS
REMARK 200 OPTICS : MIRRORS
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12376
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
REMARK 200 RESOLUTION RANGE LOW (A) : 32.820
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4
REMARK 200 DATA REDUNDANCY : 5.000
REMARK 200 R MERGE (I) : 0.06700
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.6000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS
REMARK 200 SOFTWARE USED: CNS
REMARK 200 STARTING MODEL: PDB ENTRY 1F7A
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 40.12
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULPHATE, SODIUM
REMARK 280 PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP,
REMARK 280 TEMPERATURE 298K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
REMARK 290 4555 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 25.64250
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 30.90650
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.53550
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 30.90650
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.64250
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.53550
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 6130 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 9360 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -34.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, P
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 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 LYS A 41 CG CD CE NZ
REMARK 470 LYS A 43 CG CD CE NZ
REMARK 470 LYS A 70 CG CD CE NZ
REMARK 470 LYS B 41 CG CD CE NZ
REMARK 470 LYS B 43 CG CD CE NZ
REMARK 470 ARG P 1 CG CD NE CZ NH1 NH2
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 GLU A 35 123.39 -31.35
REMARK 500 PHE P 5 47.11 -97.87
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH B 507 DISTANCE = 5.21 ANGSTROMS
REMARK 525 HOH B 534 DISTANCE = 5.83 ANGSTROMS
REMARK 525 HOH B 539 DISTANCE = 8.80 ANGSTROMS
REMARK 525 HOH A 541 DISTANCE = 9.60 ANGSTROMS
REMARK 525 HOH B 541 DISTANCE = 5.83 ANGSTROMS
REMARK 525 HOH B 549 DISTANCE = 5.06 ANGSTROMS
REMARK 525 HOH B 550 DISTANCE = 5.54 ANGSTROMS
REMARK 525 HOH B 551 DISTANCE = 8.42 ANGSTROMS
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT B 501
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT B 502
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT B 503
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 504
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1F7A RELATED DB: PDB
REMARK 900 HOW DOES A SYMMETRIC DIMER RECOGNIZE AN ASYMMETRIC
REMARK 900 SUBSTRATE? A SUBSTRATE COMPLEX OF HIV-1 PROTEASE
REMARK 900 RELATED ID: 1KJ4 RELATED DB: PDB
REMARK 900 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION
REMARK 900 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL
REMARK 900 STRUCTURES OF SIX SUBSTRATE COMPLEXES
REMARK 900 RELATED ID: 1KJ7 RELATED DB: PDB
REMARK 900 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION
REMARK 900 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL
REMARK 900 STRUCTURES OF SIX SUBSTRATE COMPLEXES
REMARK 900 RELATED ID: 1KJG RELATED DB: PDB
REMARK 900 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION
REMARK 900 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL
REMARK 900 STRUCTURES OF SIX SUBSTRATE COMPLEXES
REMARK 900 RELATED ID: 1KJH RELATED DB: PDB
REMARK 900 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION
REMARK 900 RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL
REMARK 900 STRUCTURES OF SIX SUBSTRATE COMPLEXES
DBREF 1KJF A 1 99 UNP P03369 POL_HV1A2 57 155
DBREF 1KJF B 1 99 UNP P03369 POL_HV1A2 57 155
DBREF 1KJF P 1 10 UNP P20875 POL_HV1JR 443 452
SEQADV 1KJF LYS A 7 UNP P03369 GLN 63 ENGINEERED
SEQADV 1KJF ASN A 25 UNP P03369 ASP 81 ENGINEERED
SEQADV 1KJF LYS B 7 UNP P03369 GLN 63 ENGINEERED
SEQADV 1KJF ASN B 25 UNP P03369 ASP 81 ENGINEERED
SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE
SEQRES 2 A 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR
SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO
SEQRES 4 A 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY
SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO VAL GLU
SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY
SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR
SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE
SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE
SEQRES 2 B 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR
SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO
SEQRES 4 B 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY
SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO VAL GLU
SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY
SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR
SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE
SEQRES 1 P 10 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO
HET ACT B 501 4
HET ACT B 502 4
HET ACT B 503 4
HET ACT A 504 4
HETNAM ACT ACETATE ION
FORMUL 4 ACT 4(C2 H3 O2 1-)
FORMUL 8 HOH *101(H2 O)
HELIX 1 1 GLY A 86 THR A 91 1 6
HELIX 2 2 GLN A 92 GLY A 94 5 3
HELIX 3 3 GLY B 86 THR B 91 1 6
SHEET 1 A 4 GLN A 2 THR A 4 0
SHEET 2 A 4 THR B 96 ASN B 98 -1 O LEU B 97 N ILE A 3
SHEET 3 A 4 THR A 96 ASN A 98 -1 N THR A 96 O ASN B 98
SHEET 4 A 4 GLN B 2 THR B 4 -1 N ILE B 3 O LEU A 97
SHEET 1 B 8 LYS A 43 GLY A 49 0
SHEET 2 B 8 GLY A 52 ILE A 66 -1 O GLY A 52 N GLY A 49
SHEET 3 B 8 LEU A 10 ILE A 15 -1 O ARG A 14 N GLU A 65
SHEET 4 B 8 GLN A 18 LEU A 24 -1 O GLN A 18 N ILE A 15
SHEET 5 B 8 ILE A 84 ILE A 85 1 N ILE A 85 O LEU A 23
SHEET 6 B 8 VAL A 32 GLU A 34 -1 O VAL A 32 N ILE A 84
SHEET 7 B 8 HIS A 69 GLY A 78 1 O LEU A 76 N LEU A 33
SHEET 8 B 8 GLY A 52 ILE A 66 -1 N ARG A 57 O VAL A 77
SHEET 1 C 9 GLN P 7 SER P 8 0
SHEET 2 C 9 LYS B 43 GLY B 49 -1 N GLY B 48 O SER P 8
SHEET 3 C 9 GLY B 52 ILE B 66 -1 O GLY B 52 N GLY B 49
SHEET 4 C 9 LEU B 10 ILE B 15 -1 N ARG B 14 O GLU B 65
SHEET 5 C 9 GLN B 18 LEU B 24 -1 N GLN B 18 O ILE B 15
SHEET 6 C 9 ILE B 84 ILE B 85 1 N ILE B 85 O LEU B 23
SHEET 7 C 9 VAL B 32 LEU B 33 -1 O VAL B 32 N ILE B 84
SHEET 8 C 9 HIS B 69 VAL B 77 1 O LEU B 76 N LEU B 33
SHEET 9 C 9 GLY B 52 ILE B 66 -1 N ARG B 57 O VAL B 77
SITE 1 AC1 5 PRO A 1 HIS B 69 LYS B 70 HOH B 552
SITE 2 AC1 5 HOH B 553
SITE 1 AC2 3 PRO B 1 HIS B 69 HOH B 521
SITE 1 AC3 6 ARG A 14 GLY A 17 HOH A 526 ARG B 14
SITE 2 AC3 6 GLY B 17 HOH B 529
SITE 1 AC4 3 LYS A 7 ARG A 8 HOH A 517
CRYST1 51.285 59.071 61.813 90.00 90.00 90.00 P 21 21 21 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 0.019499 0.000000 0.000000 0.00000
SCALE2 0.000000 0.016929 0.000000 0.00000
SCALE3 0.000000 0.000000 0.016178 0.00000
ATOM 1 N PRO A 1 12.684 14.360 30.115 1.00 33.06 N
ATOM 2 CA PRO A 1 11.949 15.307 29.243 1.00 31.96 C
ATOM 3 C PRO A 1 10.537 14.783 29.030 1.00 30.99 C
ATOM 4 O PRO A 1 10.230 13.651 29.401 1.00 30.95 O
ATOM 5 CB PRO A 1 12.678 15.355 27.905 1.00 31.56 C
ATOM 6 CG PRO A 1 14.040 14.758 28.250 1.00 32.54 C
ATOM 7 CD PRO A 1 13.774 13.730 29.352 1.00 33.37 C
ATOM 8 N GLN A 2 9.678 15.610 28.444 1.00 30.42 N
ATOM 9 CA GLN A 2 8.322 15.185 28.141 1.00 30.89 C
ATOM 10 C GLN A 2 8.156 15.338 26.634 1.00 30.41 C
ATOM 11 O GLN A 2 8.301 16.435 26.093 1.00 30.58 O
ATOM 12 CB GLN A 2 7.279 16.039 28.858 1.00 32.75 C
ATOM 13 CG GLN A 2 5.873 15.480 28.695 1.00 35.70 C
ATOM 14 CD GLN A 2 4.813 16.335 29.356 1.00 39.16 C
ATOM 15 OE1 GLN A 2 4.374 17.341 28.795 1.00 42.10 O
ATOM 16 NE2 GLN A 2 4.401 15.945 30.561 1.00 37.60 N
ATOM 17 N ILE A 3 7.850 14.233 25.964 1.00 27.29 N
ATOM 18 CA ILE A 3 7.686 14.226 24.518 1.00 24.54 C
ATOM 19 C ILE A 3 6.215 14.103 24.104 1.00 24.69 C
ATOM 20 O ILE A 3 5.529 13.161 24.499 1.00 21.68 O
ATOM 21 CB ILE A 3 8.507 13.064 23.913 1.00 25.96 C
ATOM 22 CG1 ILE A 3 9.966 13.199 24.366 1.00 24.94 C
ATOM 23 CG2 ILE A 3 8.412 13.068 22.394 1.00 25.59 C
ATOM 24 CD1 ILE A 3 10.920 12.266 23.680 1.00 28.34 C
ATOM 25 N THR A 4 5.728 15.069 23.328 1.00 22.21 N
ATOM 26 CA THR A 4 4.348 15.030 22.863 1.00 23.04 C
ATOM 27 C THR A 4 4.305 14.141 21.620 1.00 21.98 C
ATOM 28 O THR A 4 5.335 13.892 20.995 1.00 22.25 O
ATOM 29 CB THR A 4 3.808 16.451 22.537 1.00 25.19 C
ATOM 30 OG1 THR A 4 4.610 17.057 21.513 1.00 25.81 O
ATOM 31 CG2 THR A 4 3.838 17.326 23.791 1.00 26.46 C
ATOM 32 N LEU A 5 3.122 13.664 21.258 1.00 19.40 N
ATOM 33 CA LEU A 5 3.015 12.767 20.124 1.00 20.04 C
ATOM 34 C LEU A 5 2.420 13.344 18.852 1.00 18.90 C
ATOM 35 O LEU A 5 1.975 12.593 17.987 1.00 17.08 O
ATOM 36 CB LEU A 5 2.245 11.510 20.547 1.00 18.21 C
ATOM 37 CG LEU A 5 2.870 10.804 21.759 1.00 20.55 C
ATOM 38 CD1 LEU A 5 2.019 9.615 22.171 1.00 17.30 C
ATOM 39 CD2 LEU A 5 4.300 10.362 21.418 1.00 17.86 C
ATOM 40 N TRP A 6 2.434 14.671 18.727 1.00 20.43 N
ATOM 41 CA TRP A 6 1.903 15.332 17.534 1.00 21.71 C
ATOM 42 C TRP A 6 2.659 14.843 16.309 1.00 22.55 C
ATOM 43 O TRP A 6 2.107 14.737 15.217 1.00 20.84 O
ATOM 44 CB TRP A 6 2.066 16.847 17.643 1.00 20.81 C
ATOM 45 CG TRP A 6 1.268 17.467 18.750 1.00 21.46 C
ATOM 46 CD1 TRP A 6 1.753 18.154 19.829 1.00 20.77 C
ATOM 47 CD2 TRP A 6 -0.158 17.491 18.867 1.00 19.93 C
ATOM 48 NE1 TRP A 6 0.716 18.607 20.605 1.00 20.84 N
ATOM 49 CE2 TRP A 6 -0.468 18.216 20.039 1.00 20.87 C
ATOM 50 CE3 TRP A 6 -1.206 16.972 18.094 1.00 19.89 C
ATOM 51 CZ2 TRP A 6 -1.784 18.439 20.457 1.00 21.32 C
ATOM 52 CZ3 TRP A 6 -2.515 17.194 18.508 1.00 20.13 C
ATOM 53 CH2 TRP A 6 -2.791 17.923 19.681 1.00 21.45 C
ATOM 54 N LYS A 7 3.941 14.563 16.508 1.00 23.75 N
ATOM 55 CA LYS A 7 4.804 14.076 15.446 1.00 23.39 C
ATOM 56 C LYS A 7 5.486 12.818 15.956 1.00 22.63 C
ATOM 57 O LYS A 7 5.413 12.517 17.144 1.00 21.74 O
ATOM 58 CB LYS A 7 5.847 15.141 15.088 1.00 28.92 C
ATOM 59 CG LYS A 7 5.231 16.446 14.599 1.00 33.93 C
ATOM 60 CD LYS A 7 6.212 17.247 13.758 1.00 40.45 C
ATOM 61 CE LYS A 7 5.499 18.353 12.986 1.00 43.20 C
ATOM 62 NZ LYS A 7 6.397 19.019 11.992 1.00 46.35 N
ATOM 63 N ARG A 8 6.135 12.076 15.065 1.00 21.06 N
ATOM 64 CA ARG A 8 6.822 10.854 15.469 1.00 21.61 C
ATOM 65 C ARG A 8 7.855 11.183 16.541 1.00 19.67 C
ATOM 66 O ARG A 8 8.604 12.139 16.395 1.00 18.29 O
ATOM 67 CB ARG A 8 7.510 10.216 14.261 1.00 22.49 C
ATOM 68 CG ARG A 8 6.540 9.818 13.172 1.00 27.01 C
ATOM 69 CD ARG A 8 7.226 9.103 12.019 1.00 30.71 C
ATOM 70 NE ARG A 8 6.254 8.672 11.015 1.00 34.26 N
ATOM 71 CZ ARG A 8 6.561 7.980 9.920 1.00 35.90 C
ATOM 72 NH1 ARG A 8 7.823 7.635 9.678 1.00 34.98 N
ATOM 73 NH2 ARG A 8 5.604 7.625 9.070 1.00 34.10 N
ATOM 74 N PRO A 9 7.885 10.410 17.644 1.00 19.67 N
ATOM 75 CA PRO A 9 8.843 10.645 18.729 1.00 20.84 C
ATOM 76 C PRO A 9 10.271 10.225 18.376 1.00 23.12 C
ATOM 77 O PRO A 9 10.751 9.174 18.808 1.00 22.95 O
ATOM 78 CB PRO A 9 8.261 9.832 19.884 1.00 19.52 C
ATOM 79 CG PRO A 9 7.602 8.691 19.185 1.00 19.16 C
ATOM 80 CD PRO A 9 6.903 9.382 18.036 1.00 18.42 C
ATOM 81 N LEU A 10 10.940 11.063 17.589 1.00 24.41 N
ATOM 82 CA LEU A 10 12.310 10.810 17.157 1.00 27.10 C
ATOM 83 C LEU A 10 13.311 11.476 18.080 1.00 27.18 C
ATOM 84 O LEU A 10 13.129 12.616 18.497 1.00 29.16 O
ATOM 85 CB LEU A 10 12.533 11.338 15.736 1.00 27.87 C
ATOM 86 CG LEU A 10 11.813 10.646 14.581 1.00 30.04 C
ATOM 87 CD1 LEU A 10 12.098 11.393 13.287 1.00 30.55 C
ATOM 88 CD2 LEU A 10 12.283 9.195 14.474 1.00 31.79 C
ATOM 89 N VAL A 11 14.377 10.760 18.401 1.00 27.95 N
ATOM 90 CA VAL A 11 15.403 11.313 19.262 1.00 26.76 C
ATOM 91 C VAL A 11 16.766 10.870 18.760 1.00 28.04 C
ATOM 92 O VAL A 11 16.871 9.951 17.943 1.00 26.79 O
ATOM 93 CB VAL A 11 15.221 10.851 20.717 1.00 26.79 C
ATOM 94 CG1 VAL A 11 13.841 11.273 21.223 1.00 26.42 C
ATOM 95 CG2 VAL A 11 15.401 9.348 20.810 1.00 25.99 C
ATOM 96 N THR A 12 17.804 11.535 19.245 1.00 27.77 N
ATOM 97 CA THR A 12 19.163 11.215 18.845 1.00 28.45 C
ATOM 98 C THR A 12 19.752 10.167 19.773 1.00 29.05 C
ATOM 99 O THR A 12 19.684 10.292 20.994 1.00 29.41 O
ATOM 100 CB THR A 12 20.057 12.475 18.867 1.00 29.38 C
ATOM 101 OG1 THR A 12 19.636 13.376 17.836 1.00 30.85 O
ATOM 102 CG2 THR A 12 21.521 12.105 18.648 1.00 29.38 C
ATOM 103 N ILE A 13 20.325 9.126 19.185 1.00 30.74 N
ATOM 104 CA ILE A 13 20.937 8.063 19.964 1.00 31.51 C
ATOM 105 C ILE A 13 22.393 7.924 19.568 1.00 32.82 C
ATOM 106 O ILE A 13 22.805 8.368 18.491 1.00 32.74 O
ATOM 107 CB ILE A 13 20.261 6.713 19.711 1.00 32.09 C
ATOM 108 CG1 ILE A 13 20.352 6.372 18.224 1.00 30.45 C
ATOM 109 CG2 ILE A 13 18.823 6.757 20.183 1.00 30.30 C
ATOM 110 CD1 ILE A 13 20.012 4.943 17.909 1.00 34.65 C
ATOM 111 N ARG A 14 23.166 7.291 20.438 1.00 32.79 N
ATOM 112 CA ARG A 14 24.579 7.084 20.175 1.00 35.47 C
ATOM 113 C ARG A 14 24.890 5.602 20.297 1.00 34.93 C
ATOM 114 O ARG A 14 24.638 4.989 21.334 1.00 34.64 O
ATOM 115 CB ARG A 14 25.412 7.879 21.178 1.00 37.00 C
ATOM 116 CG ARG A 14 26.869 8.046 20.798 1.00 40.77 C
ATOM 117 CD ARG A 14 27.590 8.855 21.862 1.00 43.76 C
ATOM 118 NE ARG A 14 28.852 9.404 21.381 1.00 47.55 N
ATOM 119 CZ ARG A 14 29.926 8.682 21.081 1.00 49.84 C
ATOM 120 NH1 ARG A 14 29.902 7.360 21.213 1.00 50.57 N
ATOM 121 NH2 ARG A 14 31.027 9.287 20.650 1.00 50.26 N
ATOM 122 N ILE A 15 25.423 5.020 19.231 1.00 37.18 N
ATOM 123 CA ILE A 15 25.766 3.606 19.246 1.00 39.29 C
ATOM 124 C ILE A 15 27.012 3.334 18.415 1.00 41.03 C
ATOM 125 O ILE A 15 27.123 3.788 17.275 1.00 39.64 O
ATOM 126 CB ILE A 15 24.614 2.738 18.705 1.00 39.22 C
ATOM 127 CG1 ILE A 15 25.054 1.271 18.658 1.00 40.40 C
ATOM 128 CG2 ILE A 15 24.200 3.217 17.325 1.00 38.38 C
ATOM 129 CD1 ILE A 15 23.994 0.326 18.151 1.00 40.25 C
ATOM 130 N GLY A 16 27.947 2.591 19.001 1.00 42.92 N
ATOM 131 CA GLY A 16 29.179 2.260 18.310 1.00 44.49 C
ATOM 132 C GLY A 16 29.899 3.470 17.748 1.00 45.71 C
ATOM 133 O GLY A 16 30.521 3.392 16.689 1.00 47.03 O
ATOM 134 N GLY A 17 29.810 4.595 18.451 1.00 46.71 N
ATOM 135 CA GLY A 17 30.473 5.803 17.995 1.00 47.09 C
ATOM 136 C GLY A 17 29.718 6.569 16.928 1.00 47.27 C
ATOM 137 O GLY A 17 30.273 7.460 16.285 1.00 47.80 O
ATOM 138 N GLN A 18 28.451 6.223 16.729 1.00 47.68 N
ATOM 139 CA GLN A 18 27.631 6.906 15.738 1.00 47.61 C
ATOM 140 C GLN A 18 26.379 7.521 16.347 1.00 45.54 C
ATOM 141 O GLN A 18 25.784 6.970 17.274 1.00 44.61 O
ATOM 142 CB GLN A 18 27.209 5.950 14.620 1.00 50.19 C
ATOM 143 CG GLN A 18 28.338 5.458 13.741 1.00 52.73 C
ATOM 144 CD GLN A 18 27.835 4.904 12.418 1.00 54.90 C
ATOM 145 OE1 GLN A 18 26.970 4.024 12.385 1.00 55.81 O
ATOM 146 NE2 GLN A 18 28.378 5.416 11.317 1.00 55.10 N
ATOM 147 N LEU A 19 25.993 8.676 15.821 1.00 43.29 N
ATOM 148 CA LEU A 19 24.795 9.360 16.278 1.00 42.37 C
ATOM 149 C LEU A 19 23.708 9.109 15.245 1.00 41.43 C
ATOM 150 O LEU A 19 23.945 9.235 14.043 1.00 41.44 O
ATOM 151 CB LEU A 19 25.044 10.863 16.412 1.00 43.57 C
ATOM 152 CG LEU A 19 25.927 11.320 17.574 1.00 44.67 C
ATOM 153 CD1 LEU A 19 26.053 12.828 17.546 1.00 44.87 C
ATOM 154 CD2 LEU A 19 25.321 10.869 18.894 1.00 45.68 C
ATOM 155 N LYS A 20 22.520 8.742 15.706 1.00 38.60 N
ATOM 156 CA LYS A 20 21.423 8.479 14.788 1.00 38.00 C
ATOM 157 C LYS A 20 20.093 8.918 15.371 1.00 35.24 C
ATOM 158 O LYS A 20 19.971 9.138 16.573 1.00 33.52 O
ATOM 159 CB LYS A 20 21.354 6.985 14.464 1.00 39.36 C
ATOM 160 CG LYS A 20 22.597 6.441 13.805 1.00 42.74 C
ATOM 161 CD LYS A 20 22.513 4.944 13.631 1.00 45.00 C
ATOM 162 CE LYS A 20 23.778 4.401 12.991 1.00 47.41 C
ATOM 163 NZ LYS A 20 24.000 4.972 11.631 1.00 48.95 N
ATOM 164 N GLU A 21 19.104 9.066 14.502 1.00 34.92 N
ATOM 165 CA GLU A 21 17.765 9.430 14.933 1.00 35.34 C
ATOM 166 C GLU A 21 16.998 8.124 14.990 1.00 32.60 C
ATOM 167 O GLU A 21 17.021 7.343 14.039 1.00 29.42 O
ATOM 168 CB GLU A 21 17.080 10.370 13.938 1.00 38.60 C
ATOM 169 CG GLU A 21 17.439 11.838 14.099 1.00 44.88 C
ATOM 170 CD GLU A 21 16.362 12.759 13.536 1.00 47.62 C
ATOM 171 OE1 GLU A 21 16.023 12.624 12.340 1.00 49.27 O
ATOM 172 OE2 GLU A 21 15.852 13.615 14.291 1.00 48.58 O
ATOM 173 N ALA A 22 16.335 7.885 16.114 1.00 29.38 N
ATOM 174 CA ALA A 22 15.563 6.669 16.290 1.00 26.16 C
ATOM 175 C ALA A 22 14.199 7.005 16.868 1.00 25.12 C
ATOM 176 O ALA A 22 14.043 7.968 17.624 1.00 24.19 O
ATOM 177 CB ALA A 22 16.299 5.714 17.208 1.00 26.22 C
ATOM 178 N LEU A 23 13.214 6.201 16.497 1.00 23.15 N
ATOM 179 CA LEU A 23 11.850 6.382 16.961 1.00 20.93 C
ATOM 180 C LEU A 23 11.630 5.677 18.294 1.00 21.55 C
ATOM 181 O LEU A 23 11.924 4.487 18.421 1.00 22.52 O
ATOM 182 CB LEU A 23 10.900 5.805 15.920 1.00 21.56 C
ATOM 183 CG LEU A 23 9.412 5.762 16.226 1.00 21.49 C
ATOM 184 CD1 LEU A 23 8.836 7.166 16.170 1.00 21.56 C
ATOM 185 CD2 LEU A 23 8.731 4.866 15.212 1.00 23.28 C
ATOM 186 N LEU A 24 11.136 6.412 19.290 1.00 19.80 N
ATOM 187 CA LEU A 24 10.838 5.829 20.596 1.00 19.89 C
ATOM 188 C LEU A 24 9.540 5.069 20.336 1.00 19.87 C
ATOM 189 O LEU A 24 8.486 5.680 20.159 1.00 20.12 O
ATOM 190 CB LEU A 24 10.617 6.931 21.634 1.00 19.33 C
ATOM 191 CG LEU A 24 11.823 7.456 22.429 1.00 22.75 C
ATOM 192 CD1 LEU A 24 13.150 7.065 21.797 1.00 21.62 C
ATOM 193 CD2 LEU A 24 11.685 8.957 22.551 1.00 21.79 C
ATOM 194 N ASN A 25 9.624 3.741 20.328 1.00 18.08 N
ATOM 195 CA ASN A 25 8.485 2.881 19.992 1.00 15.29 C
ATOM 196 C ASN A 25 8.039 1.969 21.127 1.00 15.47 C
ATOM 197 O ASN A 25 8.607 0.886 21.315 1.00 15.57 O
ATOM 198 CB ASN A 25 8.894 2.044 18.765 1.00 14.05 C
ATOM 199 CG ASN A 25 7.743 1.312 18.106 1.00 16.89 C
ATOM 200 OD1 ASN A 25 7.922 0.717 17.034 1.00 21.93 O
ATOM 201 ND2 ASN A 25 6.571 1.333 18.723 1.00 13.78 N
ATOM 202 N THR A 26 7.020 2.395 21.874 1.00 13.53 N
ATOM 203 CA THR A 26 6.489 1.587 22.974 1.00 15.19 C
ATOM 204 C THR A 26 5.794 0.352 22.392 1.00 16.13 C
ATOM 205 O THR A 26 5.375 -0.540 23.134 1.00 17.93 O
ATOM 206 CB THR A 26 5.438 2.357 23.820 1.00 16.08 C
ATOM 207 OG1 THR A 26 4.317 2.706 22.991 1.00 17.08 O
ATOM 208 CG2 THR A 26 6.055 3.624 24.436 1.00 10.30 C
ATOM 209 N GLY A 27 5.674 0.323 21.066 1.00 12.28 N
ATOM 210 CA GLY A 27 5.037 -0.789 20.384 1.00 14.50 C
ATOM 211 C GLY A 27 6.009 -1.850 19.886 1.00 14.61 C
ATOM 212 O GLY A 27 5.609 -2.786 19.186 1.00 12.94 O
ATOM 213 N ALA A 28 7.285 -1.705 20.242 1.00 13.87 N
ATOM 214 CA ALA A 28 8.304 -2.679 19.854 1.00 13.59 C
ATOM 215 C ALA A 28 8.921 -3.284 21.113 1.00 14.52 C
ATOM 216 O ALA A 28 9.294 -2.556 22.034 1.00 15.58 O
ATOM 217 CB ALA A 28 9.380 -2.010 19.014 1.00 13.31 C
ATOM 218 N ASP A 29 9.011 -4.611 21.161 1.00 17.27 N
ATOM 219 CA ASP A 29 9.595 -5.294 22.316 1.00 19.06 C
ATOM 220 C ASP A 29 11.110 -5.111 22.339 1.00 20.34 C
ATOM 221 O ASP A 29 11.719 -5.066 23.410 1.00 18.20 O
ATOM 222 CB ASP A 29 9.319 -6.803 22.282 1.00 19.75 C
ATOM 223 CG ASP A 29 7.844 -7.138 22.275 1.00 22.21 C
ATOM 224 OD1 ASP A 29 7.050 -6.381 22.863 1.00 22.68 O
ATOM 225 OD2 ASP A 29 7.485 -8.181 21.693 1.00 23.48 O
ATOM 226 N ASP A 30 11.703 -5.011 21.151 1.00 18.44 N
ATOM 227 CA ASP A 30 13.151 -4.884 21.004 1.00 20.22 C
ATOM 228 C ASP A 30 13.550 -3.637 20.247 1.00 18.77 C
ATOM 229 O ASP A 30 12.709 -2.926 19.715 1.00 18.16 O
ATOM 230 CB ASP A 30 13.698 -6.082 20.231 1.00 23.98 C
ATOM 231 CG ASP A 30 13.136 -7.395 20.723 1.00 27.13 C
ATOM 232 OD1 ASP A 30 13.440 -7.773 21.876 1.00 31.33 O
ATOM 233 OD2 ASP A 30 12.390 -8.044 19.956 1.00 28.56 O
ATOM 234 N THR A 31 14.853 -3.400 20.193 1.00 19.40 N
ATOM 235 CA THR A 31 15.418 -2.262 19.479 1.00 19.94 C
ATOM 236 C THR A 31 15.959 -2.786 18.160 1.00 19.73 C
ATOM 237 O THR A 31 16.728 -3.748 18.128 1.00 20.73 O
ATOM 238 CB THR A 31 16.554 -1.627 20.286 1.00 19.66 C
ATOM 239 OG1 THR A 31 16.016 -1.111 21.508 1.00 18.91 O
ATOM 240 CG2 THR A 31 17.223 -0.506 19.493 1.00 19.32 C
ATOM 241 N VAL A 32 15.544 -2.162 17.069 1.00 20.90 N
ATOM 242 CA VAL A 32 15.972 -2.596 15.751 1.00 20.38 C
ATOM 243 C VAL A 32 16.534 -1.403 15.013 1.00 22.76 C
ATOM 244 O VAL A 32 15.842 -0.409 14.824 1.00 23.18 O
ATOM 245 CB VAL A 32 14.777 -3.173 14.958 1.00 20.09 C
ATOM 246 CG1 VAL A 32 15.269 -3.916 13.721 1.00 17.62 C
ATOM 247 CG2 VAL A 32 13.967 -4.096 15.860 1.00 20.64 C
ATOM 248 N LEU A 33 17.794 -1.498 14.603 1.00 23.95 N
ATOM 249 CA LEU A 33 18.439 -0.408 13.883 1.00 25.57 C
ATOM 250 C LEU A 33 18.643 -0.793 12.422 1.00 27.35 C
ATOM 251 O LEU A 33 18.779 -1.977 12.099 1.00 25.38 O
ATOM 252 CB LEU A 33 19.780 -0.084 14.536 1.00 26.54 C
ATOM 253 CG LEU A 33 19.714 0.159 16.050 1.00 27.59 C
ATOM 254 CD1 LEU A 33 21.081 0.587 16.562 1.00 28.36 C
ATOM 255 CD2 LEU A 33 18.683 1.233 16.355 1.00 27.67 C
ATOM 256 N GLU A 34 18.644 0.193 11.532 1.00 29.04 N
ATOM 257 CA GLU A 34 18.842 -0.113 10.128 1.00 32.57 C
ATOM 258 C GLU A 34 20.266 -0.609 9.912 1.00 33.36 C
ATOM 259 O GLU A 34 21.182 -0.241 10.650 1.00 31.00 O
ATOM 260 CB GLU A 34 18.588 1.096 9.245 1.00 34.43 C
ATOM 261 CG GLU A 34 18.655 0.722 7.777 1.00 41.42 C
ATOM 262 CD GLU A 34 18.566 1.913 6.865 1.00 44.55 C
ATOM 263 OE1 GLU A 34 17.514 2.587 6.866 1.00 48.39 O
ATOM 264 OE2 GLU A 34 19.555 2.174 6.150 1.00 46.47 O
ATOM 265 N 1GLU A 35 20.437 -1.446 8.892 0.50 33.90 N
ATOM 266 N 2GLU A 35 20.442 -1.436 8.887 0.50 34.18 N
ATOM 267 CA 1GLU A 35 21.730 -2.037 8.575 0.50 35.23 C
ATOM 268 CA 2GLU A 35 21.735 -2.020 8.547 0.50 35.75 C
ATOM 269 C 1GLU A 35 22.935 -1.170 8.911 0.50 36.41 C
ATOM 270 C 2GLU A 35 22.944 -1.164 8.905 0.50 36.73 C
ATOM 271 O 1GLU A 35 23.057 -0.027 8.461 0.50 36.58 O
ATOM 272 O 2GLU A 35 23.075 -0.018 8.464 0.50 36.84 O
ATOM 273 CB 1GLU A 35 21.785 -2.445 7.100 0.50 35.35 C
ATOM 274 CB 2GLU A 35 21.768 -2.360 7.056 0.50 36.32 C
ATOM 275 CG 1GLU A 35 23.056 -3.190 6.724 0.50 34.99 C
ATOM 276 CG 2GLU A 35 20.538 -3.117 6.599 0.50 36.96 C
ATOM 277 CD 1GLU A 35 23.351 -4.355 7.653 0.50 35.37 C
ATOM 278 CD 2GLU A 35 20.482 -4.541 7.107 0.50 37.19 C
ATOM 279 OE11GLU A 35 22.457 -5.203 7.846 0.50 36.05 O
ATOM 280 OE12GLU A 35 20.916 -4.802 8.249 0.50 37.26 O
ATOM 281 OE21GLU A 35 24.479 -4.425 8.187 0.50 35.24 O
ATOM 282 OE22GLU A 35 19.979 -5.401 6.357 0.50 37.95 O
ATOM 283 N MET A 36 23.818 -1.735 9.724 1.00 36.51 N
ATOM 284 CA MET A 36 25.024 -1.058 10.137 1.00 38.76 C
ATOM 285 C MET A 36 25.964 -2.148 10.593 1.00 39.34 C
ATOM 286 O MET A 36 25.542 -3.162 11.155 1.00 37.77 O
ATOM 287 CB MET A 36 24.745 -0.072 11.262 1.00 40.23 C
ATOM 288 CG MET A 36 24.432 -0.698 12.585 1.00 41.35 C
ATOM 289 SD MET A 36 24.524 0.577 13.838 1.00 46.15 S
ATOM 290 CE MET A 36 26.323 0.805 13.955 1.00 45.08 C
ATOM 291 N 1ASN A 37 27.247 -1.935 10.351 0.50 39.71 N
ATOM 292 N 2ASN A 37 27.251 -1.953 10.347 0.50 40.27 N
ATOM 293 CA 1ASN A 37 28.242 -2.912 10.738 0.50 40.70 C
ATOM 294 CA 2ASN A 37 28.227 -2.968 10.708 0.50 41.64 C
ATOM 295 C 1ASN A 37 28.663 -2.756 12.184 0.50 40.85 C
ATOM 296 C 2ASN A 37 28.717 -2.805 12.141 0.50 41.49 C
ATOM 297 O 1ASN A 37 29.216 -1.729 12.574 0.50 42.12 O
ATOM 298 O 2ASN A 37 29.377 -1.825 12.477 0.50 42.71 O
ATOM 299 CB 1ASN A 37 29.464 -2.811 9.827 0.50 40.95 C
ATOM 300 CB 2ASN A 37 29.386 -2.921 9.713 0.50 42.89 C
ATOM 301 CG 1ASN A 37 29.162 -3.238 8.411 0.50 40.82 C
ATOM 302 CG 2ASN A 37 29.874 -4.299 9.318 0.50 43.83 C
ATOM 303 OD11ASN A 37 28.279 -2.683 7.761 0.50 40.82 O
ATOM 304 OD12ASN A 37 29.082 -5.223 9.121 0.50 44.79 O
ATOM 305 ND21ASN A 37 29.889 -4.237 7.925 0.50 41.50 N
ATOM 306 ND22ASN A 37 31.188 -4.442 9.185 0.50 44.85 N
ATOM 307 N LEU A 38 28.375 -3.781 12.977 1.00 41.25 N
ATOM 308 CA LEU A 38 28.742 -3.786 14.378 1.00 40.92 C
ATOM 309 C LEU A 38 29.636 -4.988 14.612 1.00 40.73 C
ATOM 310 O LEU A 38 29.347 -6.091 14.147 1.00 39.52 O
ATOM 311 CB LEU A 38 27.502 -3.911 15.263 1.00 41.45 C
ATOM 312 CG LEU A 38 26.628 -2.669 15.425 1.00 42.67 C
ATOM 313 CD1 LEU A 38 25.405 -2.999 16.275 1.00 41.93 C
ATOM 314 CD2 LEU A 38 27.457 -1.563 16.082 1.00 41.71 C
ATOM 315 N PRO A 39 30.747 -4.795 15.329 1.00 40.81 N
ATOM 316 CA PRO A 39 31.624 -5.935 15.573 1.00 40.47 C
ATOM 317 C PRO A 39 30.996 -6.844 16.626 1.00 40.62 C
ATOM 318 O PRO A 39 30.083 -6.435 17.346 1.00 40.33 O
ATOM 319 CB PRO A 39 32.903 -5.270 16.057 1.00 40.47 C
ATOM 320 CG PRO A 39 32.383 -4.116 16.841 1.00 39.17 C
ATOM 321 CD PRO A 39 31.291 -3.570 15.944 1.00 40.88 C
ATOM 322 N GLY A 40 31.480 -8.077 16.705 1.00 40.29 N
ATOM 323 CA GLY A 40 30.952 -9.003 17.687 1.00 40.58 C
ATOM 324 C GLY A 40 30.151 -10.134 17.079 1.00 41.15 C
ATOM 325 O GLY A 40 29.765 -10.086 15.907 1.00 41.81 O
ATOM 326 N LYS A 41 29.910 -11.163 17.882 1.00 39.99 N
ATOM 327 CA LYS A 41 29.142 -12.307 17.432 1.00 40.00 C
ATOM 328 C LYS A 41 27.668 -11.931 17.461 1.00 39.03 C
ATOM 329 O LYS A 41 27.253 -11.046 18.214 1.00 38.93 O
ATOM 330 CB LYS A 41 29.401 -13.503 18.340 1.00 39.87 C
ATOM 331 N TRP A 42 26.882 -12.599 16.628 1.00 38.32 N
ATOM 332 CA TRP A 42 25.454 -12.350 16.563 1.00 36.87 C
ATOM 333 C TRP A 42 24.737 -13.657 16.247 1.00 36.44 C
ATOM 334 O TRP A 42 25.364 -14.636 15.837 1.00 37.20 O
ATOM 335 CB TRP A 42 25.149 -11.313 15.482 1.00 38.40 C
ATOM 336 CG TRP A 42 25.761 -11.649 14.160 1.00 40.17 C
ATOM 337 CD1 TRP A 42 27.011 -11.319 13.728 1.00 40.16 C
ATOM 338 CD2 TRP A 42 25.161 -12.417 13.111 1.00 40.51 C
ATOM 339 NE1 TRP A 42 27.229 -11.833 12.472 1.00 41.70 N
ATOM 340 CE2 TRP A 42 26.109 -12.511 12.069 1.00 41.26 C
ATOM 341 CE3 TRP A 42 23.913 -13.035 12.950 1.00 40.45 C
ATOM 342 CZ2 TRP A 42 25.849 -13.199 10.879 1.00 41.32 C
ATOM 343 CZ3 TRP A 42 23.652 -13.718 11.766 1.00 41.29 C
ATOM 344 CH2 TRP A 42 24.617 -13.794 10.746 1.00 41.60 C
ATOM 345 N LYS A 43 23.425 -13.669 16.452 1.00 33.29 N
ATOM 346 CA LYS A 43 22.612 -14.847 16.183 1.00 32.42 C
ATOM 347 C LYS A 43 21.480 -14.454 15.236 1.00 32.68 C
ATOM 348 O LYS A 43 20.929 -13.353 15.336 1.00 31.53 O
ATOM 349 CB LYS A 43 22.042 -15.395 17.481 1.00 31.64 C
ATOM 350 N PRO A 44 21.129 -15.344 14.293 1.00 32.04 N
ATOM 351 CA PRO A 44 20.052 -15.065 13.335 1.00 30.85 C
ATOM 352 C PRO A 44 18.720 -14.983 14.067 1.00 27.20 C
ATOM 353 O PRO A 44 18.478 -15.736 15.010 1.00 25.88 O
ATOM 354 CB PRO A 44 20.101 -16.270 12.393 1.00 31.96 C
ATOM 355 CG PRO A 44 21.535 -16.740 12.507 1.00 32.27 C
ATOM 356 CD PRO A 44 21.769 -16.633 13.988 1.00 31.58 C
ATOM 357 N LYS A 45 17.850 -14.084 13.628 1.00 25.66 N
ATOM 358 CA LYS A 45 16.560 -13.946 14.276 1.00 25.02 C
ATOM 359 C LYS A 45 15.510 -13.376 13.337 1.00 24.42 C
ATOM 360 O LYS A 45 15.819 -12.603 12.429 1.00 22.98 O
ATOM 361 CB LYS A 45 16.695 -13.036 15.499 1.00 27.24 C
ATOM 362 CG LYS A 45 15.547 -13.118 16.493 1.00 31.44 C
ATOM 363 CD LYS A 45 15.669 -12.017 17.544 1.00 34.57 C
ATOM 364 CE LYS A 45 14.675 -12.198 18.681 1.00 35.59 C
ATOM 365 NZ LYS A 45 15.097 -13.289 19.607 1.00 38.47 N
ATOM 366 N MET A 46 14.265 -13.774 13.564 1.00 22.59 N
ATOM 367 CA MET A 46 13.139 -13.284 12.781 1.00 23.94 C
ATOM 368 C MET A 46 12.246 -12.480 13.716 1.00 22.91 C
ATOM 369 O MET A 46 11.949 -12.926 14.820 1.00 23.43 O
ATOM 370 CB MET A 46 12.323 -14.449 12.226 1.00 24.27 C
ATOM 371 CG MET A 46 13.028 -15.262 11.188 1.00 27.25 C
ATOM 372 SD MET A 46 12.968 -14.455 9.622 1.00 32.44 S
ATOM 373 CE MET A 46 11.717 -15.458 8.773 1.00 29.67 C
ATOM 374 N ILE A 47 11.844 -11.287 13.302 1.00 22.97 N
ATOM 375 CA ILE A 47 10.930 -10.504 14.123 1.00 22.81 C
ATOM 376 C ILE A 47 9.813 -10.086 13.193 1.00 22.10 C
ATOM 377 O ILE A 47 10.029 -9.898 11.993 1.00 18.85 O
ATOM 378 CB ILE A 47 11.585 -9.249 14.766 1.00 23.87 C
ATOM 379 CG1 ILE A 47 11.921 -8.200 13.708 1.00 25.56 C
ATOM 380 CG2 ILE A 47 12.822 -9.659 15.524 1.00 26.04 C
ATOM 381 CD1 ILE A 47 12.987 -8.630 12.761 1.00 29.35 C
ATOM 382 N GLY A 48 8.613 -9.957 13.735 1.00 19.82 N
ATOM 383 CA GLY A 48 7.510 -9.591 12.884 1.00 23.54 C
ATOM 384 C GLY A 48 6.672 -8.438 13.374 1.00 24.63 C
ATOM 385 O GLY A 48 6.766 -7.992 14.520 1.00 24.57 O
ATOM 386 N GLY A 49 5.842 -7.955 12.467 1.00 24.17 N
ATOM 387 CA GLY A 49 4.951 -6.869 12.784 1.00 23.70 C
ATOM 388 C GLY A 49 3.850 -6.883 11.755 1.00 23.86 C
ATOM 389 O GLY A 49 3.488 -7.937 11.230 1.00 22.14 O
ATOM 390 N 1ILE A 50 3.354 -5.694 11.443 0.50 21.73 N
ATOM 391 N 2ILE A 50 3.292 -5.712 11.473 0.50 23.36 N
ATOM 392 CA 1ILE A 50 2.324 -5.544 10.440 0.50 21.21 C
ATOM 393 CA 2ILE A 50 2.185 -5.590 10.535 0.50 24.15 C
ATOM 394 C 1ILE A 50 2.996 -5.820 9.100 0.50 20.80 C
ATOM 395 C 2ILE A 50 2.267 -6.356 9.211 0.50 23.58 C
ATOM 396 O 1ILE A 50 4.094 -5.326 8.831 0.50 19.27 O
ATOM 397 O 2ILE A 50 1.481 -7.274 8.989 0.50 24.35 O
ATOM 398 CB 1ILE A 50 1.748 -4.112 10.467 0.50 19.91 C
ATOM 399 CB 2ILE A 50 1.883 -4.094 10.262 0.50 23.94 C
ATOM 400 CG11ILE A 50 0.822 -3.963 11.675 0.50 18.42 C
ATOM 401 CG12ILE A 50 1.100 -3.525 11.449 0.50 23.77 C
ATOM 402 CG21ILE A 50 1.033 -3.801 9.161 0.50 19.90 C
ATOM 403 CG22ILE A 50 1.110 -3.922 8.958 0.50 23.86 C
ATOM 404 CD11ILE A 50 0.313 -2.556 11.898 0.50 18.46 C
ATOM 405 CD12ILE A 50 0.786 -2.049 11.347 0.50 25.11 C
ATOM 406 N 1GLY A 51 2.347 -6.636 8.277 0.50 21.22 N
ATOM 407 N 2GLY A 51 3.205 -5.999 8.339 0.50 23.58 N
ATOM 408 CA 1GLY A 51 2.896 -6.964 6.977 0.50 19.69 C
ATOM 409 CA 2GLY A 51 3.288 -6.676 7.052 0.50 21.97 C
ATOM 410 C 1GLY A 51 3.677 -8.262 6.947 0.50 20.72 C
ATOM 411 C 2GLY A 51 4.089 -7.964 6.963 0.50 22.34 C
ATOM 412 O 1GLY A 51 3.776 -8.900 5.898 0.50 20.82 O
ATOM 413 O 2GLY A 51 4.551 -8.330 5.882 0.50 22.84 O
ATOM 414 N GLY A 52 4.242 -8.662 8.083 1.00 21.29 N
ATOM 415 CA GLY A 52 5.002 -9.900 8.099 1.00 20.54 C
ATOM 416 C GLY A 52 6.289 -9.874 8.911 1.00 20.56 C
ATOM 417 O GLY A 52 6.420 -9.107 9.869 1.00 18.41 O
ATOM 418 N PHE A 53 7.248 -10.710 8.516 1.00 18.72 N
ATOM 419 CA PHE A 53 8.526 -10.824 9.220 1.00 20.76 C
ATOM 420 C PHE A 53 9.757 -10.451 8.408 1.00 19.94 C
ATOM 421 O PHE A 53 9.773 -10.569 7.185 1.00 18.49 O
ATOM 422 CB PHE A 53 8.751 -12.264 9.703 1.00 19.82 C
ATOM 423 CG PHE A 53 7.843 -12.702 10.811 1.00 21.60 C
ATOM 424 CD1 PHE A 53 6.485 -12.914 10.580 1.00 22.91 C
ATOM 425 CD2 PHE A 53 8.353 -12.944 12.083 1.00 20.47 C
ATOM 426 CE1 PHE A 53 5.651 -13.363 11.599 1.00 21.77 C
ATOM 427 CE2 PHE A 53 7.525 -13.393 13.107 1.00 22.98 C
ATOM 428 CZ PHE A 53 6.169 -13.603 12.863 1.00 21.21 C
ATOM 429 N ILE A 54 10.801 -10.021 9.109 1.00 20.32 N
ATOM 430 CA ILE A 54 12.073 -9.700 8.472 1.00 21.44 C
ATOM 431 C ILE A 54 13.150 -10.422 9.256 1.00 21.89 C
ATOM 432 O ILE A 54 12.979 -10.708 10.442 1.00 20.56 O
ATOM 433 CB ILE A 54 12.410 -8.183 8.478 1.00 21.64 C
ATOM 434 CG1 ILE A 54 12.270 -7.623 9.888 1.00 19.66 C
ATOM 435 CG2 ILE A 54 11.536 -7.441 7.476 1.00 22.32 C
ATOM 436 CD1 ILE A 54 12.984 -6.305 10.082 1.00 24.36 C
ATOM 437 N LYS A 55 14.259 -10.712 8.589 1.00 23.67 N
ATOM 438 CA LYS A 55 15.379 -11.400 9.206 1.00 23.92 C
ATOM 439 C LYS A 55 16.354 -10.342 9.700 1.00 23.62 C
ATOM 440 O LYS A 55 16.640 -9.378 8.994 1.00 22.43 O
ATOM 441 CB LYS A 55 16.053 -12.312 8.175 1.00 26.53 C
ATOM 442 CG LYS A 55 17.117 -13.250 8.727 1.00 29.62 C
ATOM 443 CD LYS A 55 17.542 -14.248 7.648 1.00 32.01 C
ATOM 444 CE LYS A 55 18.587 -15.238 8.148 1.00 34.93 C
ATOM 445 NZ LYS A 55 19.943 -14.631 8.335 1.00 37.12 N
ATOM 446 N VAL A 56 16.848 -10.517 10.922 1.00 22.62 N
ATOM 447 CA VAL A 56 17.786 -9.571 11.510 1.00 23.93 C
ATOM 448 C VAL A 56 18.928 -10.283 12.229 1.00 24.83 C
ATOM 449 O VAL A 56 18.907 -11.502 12.412 1.00 23.66 O
ATOM 450 CB VAL A 56 17.086 -8.645 12.533 1.00 23.61 C
ATOM 451 CG1 VAL A 56 15.955 -7.889 11.862 1.00 24.36 C
ATOM 452 CG2 VAL A 56 16.563 -9.465 13.711 1.00 22.00 C
ATOM 453 N ARG A 57 19.926 -9.507 12.631 1.00 25.14 N
ATOM 454 CA ARG A 57 21.059 -10.047 13.352 1.00 28.46 C
ATOM 455 C ARG A 57 20.992 -9.500 14.770 1.00 27.72 C
ATOM 456 O ARG A 57 20.776 -8.308 14.978 1.00 28.33 O
ATOM 457 CB ARG A 57 22.364 -9.664 12.647 1.00 30.61 C
ATOM 458 CG ARG A 57 22.461 -10.302 11.260 1.00 36.86 C
ATOM 459 CD ARG A 57 23.820 -10.157 10.584 1.00 42.00 C
ATOM 460 NE ARG A 57 24.015 -8.865 9.923 1.00 46.50 N
ATOM 461 CZ ARG A 57 24.370 -7.745 10.546 1.00 48.74 C
ATOM 462 NH1 ARG A 57 24.525 -6.617 9.863 1.00 48.55 N
ATOM 463 NH2 ARG A 57 24.577 -7.754 11.854 1.00 50.60 N
ATOM 464 N GLN A 58 21.141 -10.389 15.742 1.00 27.44 N
ATOM 465 CA GLN A 58 21.070 -10.011 17.143 1.00 29.11 C
ATOM 466 C GLN A 58 22.423 -9.865 17.828 1.00 29.36 C
ATOM 467 O GLN A 58 23.221 -10.805 17.858 1.00 28.60 O
ATOM 468 CB GLN A 58 20.243 -11.038 17.912 1.00 28.31 C
ATOM 469 CG GLN A 58 20.139 -10.732 19.395 1.00 32.38 C
ATOM 470 CD GLN A 58 19.448 -11.832 20.167 1.00 34.04 C
ATOM 471 OE1 GLN A 58 18.372 -12.296 19.784 1.00 36.64 O
ATOM 472 NE2 GLN A 58 20.058 -12.252 21.271 1.00 35.26 N
ATOM 473 N TYR A 59 22.665 -8.680 18.382 1.00 30.49 N
ATOM 474 CA TYR A 59 23.893 -8.388 19.113 1.00 30.35 C
ATOM 475 C TYR A 59 23.506 -8.158 20.577 1.00 32.37 C
ATOM 476 O TYR A 59 22.467 -7.562 20.860 1.00 32.01 O
ATOM 477 CB TYR A 59 24.568 -7.129 18.571 1.00 31.41 C
ATOM 478 CG TYR A 59 25.079 -7.237 17.154 1.00 32.55 C
ATOM 479 CD1 TYR A 59 24.219 -7.096 16.067 1.00 33.36 C
ATOM 480 CD2 TYR A 59 26.432 -7.468 16.899 1.00 32.64 C
ATOM 481 CE1 TYR A 59 24.693 -7.175 14.759 1.00 33.64 C
ATOM 482 CE2 TYR A 59 26.919 -7.551 15.595 1.00 33.07 C
ATOM 483 CZ TYR A 59 26.044 -7.403 14.530 1.00 34.48 C
ATOM 484 OH TYR A 59 26.520 -7.472 13.238 1.00 33.82 O
ATOM 485 N ASP A 60 24.342 -8.621 21.501 1.00 32.69 N
ATOM 486 CA ASP A 60 24.072 -8.481 22.928 1.00 34.24 C
ATOM 487 C ASP A 60 25.022 -7.527 23.645 1.00 33.55 C
ATOM 488 O ASP A 60 26.157 -7.320 23.216 1.00 33.03 O
ATOM 489 CB ASP A 60 24.167 -9.846 23.606 1.00 37.38 C
ATOM 490 CG ASP A 60 23.075 -10.790 23.171 1.00 39.82 C
ATOM 491 OD1 ASP A 60 23.249 -12.014 23.359 1.00 41.13 O
ATOM 492 OD2 ASP A 60 22.041 -10.308 22.655 1.00 42.16 O
ATOM 493 N GLN A 61 24.543 -6.950 24.741 1.00 33.38 N
ATOM 494 CA GLN A 61 25.345 -6.052 25.566 1.00 34.12 C
ATOM 495 C GLN A 61 25.986 -4.893 24.811 1.00 33.13 C
ATOM 496 O GLN A 61 27.168 -4.592 24.994 1.00 30.78 O
ATOM 497 CB GLN A 61 26.427 -6.866 26.281 1.00 37.50 C
ATOM 498 CG GLN A 61 25.870 -8.021 27.104 1.00 41.67 C
ATOM 499 CD GLN A 61 25.271 -7.567 28.417 1.00 43.99 C
ATOM 500 OE1 GLN A 61 25.987 -7.374 29.400 1.00 48.03 O
ATOM 501 NE2 GLN A 61 23.956 -7.379 28.440 1.00 46.03 N
ATOM 502 N ILE A 62 25.195 -4.236 23.972 1.00 29.81 N
ATOM 503 CA ILE A 62 25.677 -3.106 23.199 1.00 28.12 C
ATOM 504 C ILE A 62 25.341 -1.815 23.936 1.00 29.13 C
ATOM 505 O ILE A 62 24.181 -1.571 24.279 1.00 26.55 O
ATOM 506 CB ILE A 62 25.005 -3.050 21.820 1.00 27.88 C
ATOM 507 CG1 ILE A 62 25.333 -4.312 21.016 1.00 25.41 C
ATOM 508 CG2 ILE A 62 25.426 -1.785 21.104 1.00 29.35 C
ATOM 509 CD1 ILE A 62 26.800 -4.474 20.665 1.00 26.09 C
ATOM 510 N PRO A 63 26.354 -0.980 24.208 1.00 28.67 N
ATOM 511 CA PRO A 63 26.089 0.280 24.908 1.00 29.04 C
ATOM 512 C PRO A 63 25.377 1.245 23.967 1.00 30.08 C
ATOM 513 O PRO A 63 25.780 1.405 22.819 1.00 28.32 O
ATOM 514 CB PRO A 63 27.487 0.781 25.274 1.00 29.08 C
ATOM 515 CG PRO A 63 28.304 -0.480 25.348 1.00 28.13 C
ATOM 516 CD PRO A 63 27.801 -1.250 24.153 1.00 28.65 C
ATOM 517 N VAL A 64 24.314 1.876 24.451 1.00 30.91 N
ATOM 518 CA VAL A 64 23.577 2.836 23.644 1.00 33.34 C
ATOM 519 C VAL A 64 23.187 4.027 24.507 1.00 34.20 C
ATOM 520 O VAL A 64 22.779 3.859 25.658 1.00 35.55 O
ATOM 521 CB VAL A 64 22.295 2.216 23.041 1.00 33.67 C
ATOM 522 CG1 VAL A 64 21.545 3.264 22.222 1.00 34.38 C
ATOM 523 CG2 VAL A 64 22.659 1.026 22.157 1.00 33.42 C
ATOM 524 N GLU A 65 23.330 5.226 23.953 1.00 33.56 N
ATOM 525 CA GLU A 65 22.974 6.437 24.673 1.00 36.22 C
ATOM 526 C GLU A 65 21.754 7.094 24.023 1.00 35.71 C
ATOM 527 O GLU A 65 21.801 7.535 22.877 1.00 35.31 O
ATOM 528 CB GLU A 65 24.148 7.417 24.684 1.00 37.73 C
ATOM 529 CG GLU A 65 24.001 8.511 25.722 1.00 41.88 C
ATOM 530 CD GLU A 65 25.146 9.498 25.702 1.00 43.97 C
ATOM 531 OE1 GLU A 65 25.229 10.295 24.741 1.00 46.28 O
ATOM 532 OE2 GLU A 65 25.967 9.472 26.644 1.00 45.44 O
ATOM 533 N ILE A 66 20.658 7.149 24.768 1.00 36.52 N
ATOM 534 CA ILE A 66 19.423 7.744 24.274 1.00 37.09 C
ATOM 535 C ILE A 66 19.249 9.114 24.915 1.00 37.32 C
ATOM 536 O ILE A 66 18.975 9.219 26.112 1.00 36.84 O
ATOM 537 CB ILE A 66 18.215 6.864 24.629 1.00 35.91 C
ATOM 538 CG1 ILE A 66 18.421 5.457 24.072 1.00 36.81 C
ATOM 539 CG2 ILE A 66 16.944 7.468 24.063 1.00 36.47 C
ATOM 540 CD1 ILE A 66 17.511 4.420 24.692 1.00 36.87 C
ATOM 541 N CYS A 67 19.415 10.162 24.116 1.00 38.53 N
ATOM 542 CA CYS A 67 19.290 11.523 24.622 1.00 41.07 C
ATOM 543 C CYS A 67 20.041 11.700 25.931 1.00 39.84 C
ATOM 544 O CYS A 67 19.444 12.074 26.938 1.00 40.74 O
ATOM 545 CB CYS A 67 17.821 11.888 24.845 1.00 41.61 C
ATOM 546 SG CYS A 67 16.932 12.313 23.350 1.00 48.88 S
ATOM 547 N GLY A 68 21.341 11.418 25.918 1.00 40.46 N
ATOM 548 CA GLY A 68 22.146 11.576 27.117 1.00 40.02 C
ATOM 549 C GLY A 68 22.011 10.491 28.171 1.00 40.49 C
ATOM 550 O GLY A 68 22.837 10.409 29.081 1.00 41.81 O
ATOM 551 N HIS A 69 20.978 9.661 28.072 1.00 39.23 N
ATOM 552 CA HIS A 69 20.786 8.590 29.044 1.00 37.77 C
ATOM 553 C HIS A 69 21.509 7.327 28.596 1.00 37.38 C
ATOM 554 O HIS A 69 21.362 6.880 27.455 1.00 37.88 O
ATOM 555 CB HIS A 69 19.297 8.307 29.233 1.00 37.86 C
ATOM 556 CG HIS A 69 18.554 9.433 29.881 1.00 37.75 C
ATOM 557 ND1 HIS A 69 18.082 9.368 31.174 1.00 36.93 N
ATOM 558 CD2 HIS A 69 18.229 10.665 29.424 1.00 36.80 C
ATOM 559 CE1 HIS A 69 17.498 10.511 31.486 1.00 37.30 C
ATOM 560 NE2 HIS A 69 17.575 11.315 30.441 1.00 37.78 N
ATOM 561 N LYS A 70 22.296 6.753 29.498 1.00 34.83 N
ATOM 562 CA LYS A 70 23.042 5.553 29.170 1.00 32.80 C
ATOM 563 C LYS A 70 22.183 4.312 29.338 1.00 32.46 C
ATOM 564 O LYS A 70 21.388 4.206 30.273 1.00 32.39 O
ATOM 565 CB LYS A 70 24.288 5.454 30.042 1.00 33.03 C
ATOM 566 N ALA A 71 22.341 3.380 28.409 1.00 30.14 N
ATOM 567 CA ALA A 71 21.612 2.132 28.445 1.00 28.77 C
ATOM 568 C ALA A 71 22.496 1.097 27.777 1.00 27.62 C
ATOM 569 O ALA A 71 23.398 1.441 27.015 1.00 27.66 O
ATOM 570 CB ALA A 71 20.287 2.266 27.689 1.00 27.39 C
ATOM 571 N ILE A 72 22.244 -0.170 28.074 1.00 25.68 N
ATOM 572 CA ILE A 72 23.009 -1.251 27.473 1.00 26.76 C
ATOM 573 C ILE A 72 22.107 -2.464 27.354 1.00 24.50 C
ATOM 574 O ILE A 72 21.472 -2.887 28.322 1.00 27.55 O
ATOM 575 CB ILE A 72 24.273 -1.603 28.311 1.00 26.15 C
ATOM 576 CG1 ILE A 72 25.046 -2.739 27.638 1.00 26.28 C
ATOM 577 CG2 ILE A 72 23.883 -2.000 29.733 1.00 27.76 C
ATOM 578 CD1 ILE A 72 26.299 -3.141 28.387 1.00 29.08 C
ATOM 579 N GLY A 73 22.030 -3.016 26.153 1.00 24.77 N
ATOM 580 CA GLY A 73 21.186 -4.173 25.962 1.00 24.20 C
ATOM 581 C GLY A 73 21.322 -4.776 24.587 1.00 23.71 C
ATOM 582 O GLY A 73 22.297 -4.534 23.877 1.00 23.85 O
ATOM 583 N THR A 74 20.325 -5.564 24.212 1.00 24.52 N
ATOM 584 CA THR A 74 20.324 -6.215 22.916 1.00 27.33 C
ATOM 585 C THR A 74 19.884 -5.270 21.809 1.00 26.97 C