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2NNQ.pdb
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HEADER LIPID TRANSPORT 24-OCT-06 2NNQ
TITLE CRYSTAL STRUCTURE OF HUMAN ADIPOCYTE FATTY ACID BINDING PROTEIN IN
TITLE 2 COMPLEX WITH ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-
TITLE 3 BIPHENYLYL)OXY)ACETIC ACID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FATTY ACID-BINDING PROTEIN, ADIPOCYTE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: AFABP, ADIPOCYTE LIPID-BINDING PROTEIN, ALBP, A-FABP;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: FABP4;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS TRANSPORT, LIPID-BINDING, LIPID TRANSPORT
EXPDTA X-RAY DIFFRACTION
AUTHOR B.L.JACOBSON
REVDAT 4 18-OCT-17 2NNQ 1 REMARK
REVDAT 3 20-JUN-12 2NNQ 1 REMARK VERSN
REVDAT 2 24-FEB-09 2NNQ 1 VERSN
REVDAT 1 12-JUN-07 2NNQ 0
JRNL AUTH R.SULSKY,D.R.MAGNIN,Y.HUANG,L.SIMPKINS,P.TAUNK,M.PATEL,
JRNL AUTH 2 Y.ZHU,T.R.STOUCH,D.BASSOLINO-KLIMAS,R.PARKER,T.HARRITY,
JRNL AUTH 3 R.STOFFEL,D.S.TAYLOR,T.B.LAVOIE,K.KISH,B.L.JACOBSON,
JRNL AUTH 4 S.SHERIFF,L.P.ADAM,W.R.EWING,J.A.ROBL
JRNL TITL POTENT AND SELECTIVE BIPHENYL AZOLE INHIBITORS OF ADIPOCYTE
JRNL TITL 2 FATTY ACID BINDING PROTEIN (AFABP).
JRNL REF BIOORG.MED.CHEM.LETT. V. 17 3511 2007
JRNL REFN ISSN 0960-894X
JRNL PMID 17502136
JRNL DOI 10.1016/J.BMCL.2006.12.044
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.99
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 2022639.620
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 84.1
REMARK 3 NUMBER OF REFLECTIONS : 10359
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 + TEST SET) : 0.193
REMARK 3 R VALUE (WORKING SET) : 0.188
REMARK 3 FREE R VALUE : 0.235
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000
REMARK 3 FREE R VALUE TEST SET COUNT : 1032
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.1930
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.1880
REMARK 3 FREE R VALUE (NO CUTOFF) : 0.235
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10.000
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 1032
REMARK 3 ESTIMATED ERROR OF FREE R VALUE (NO CUTOFF) : 0.0070
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 10359
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 8
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.88
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 64.10
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 890
REMARK 3 BIN R VALUE (WORKING SET) : 0.2360
REMARK 3 BIN FREE R VALUE : 0.2740
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.60
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 95
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1014
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 46
REMARK 3 SOLVENT ATOMS : 152
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 8.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.50
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 2.58000
REMARK 3 B22 (A**2) : -1.57000
REMARK 3 B33 (A**2) : -1.01000
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) : 0.19
REMARK 3 ESD FROM SIGMAA (A) : 0.14
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) : 0.25
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.19
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.007
REMARK 3 BOND ANGLES (DEGREES) : 0.800
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.50
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.510
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) : 1.010 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.490 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 1.750 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.530 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : 0.56
REMARK 3 BSOL : 73.14
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 : T4B.PAR
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 : T4B.TOP
REMARK 3 TOPOLOGY FILE 5 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2NNQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-NOV-06.
REMARK 100 THE DEPOSITION ID IS D_1000040085.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 22-APR-99
REMARK 200 TEMPERATURE (KELVIN) : 100.0
REMARK 200 PH : 5.60
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 RU200
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.54
REMARK 200 MONOCHROMATOR : GRAPHITE
REMARK 200 OPTICS : MONOCHROMATOR
REMARK 200
REMARK 200 DETECTOR TYPE : AREA DETECTOR
REMARK 200 DETECTOR MANUFACTURER : BRUKER
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : X-GEN
REMARK 200 DATA SCALING SOFTWARE : X-GEN
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12558
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.670
REMARK 200 RESOLUTION RANGE LOW (A) : 99.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 78.6
REMARK 200 DATA REDUNDANCY : 3.800
REMARK 200 R MERGE (I) : 0.09500
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.9000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.77
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.91
REMARK 200 COMPLETENESS FOR SHELL (%) : 64.9
REMARK 200 DATA REDUNDANCY IN SHELL : 1.70
REMARK 200 R MERGE FOR SHELL (I) : 0.18300
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.300
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MR
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: AP2
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 45.25
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.25
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: ~70% SATURATED AMMONIUM SULFATE, PH
REMARK 280 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K, PH 5.60
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 16.31000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 37.20500
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 26.96500
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 37.20500
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 16.31000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 26.96500
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: 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 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 GLU A 54 CB CG CD OE1 OE2
REMARK 470 LYS A 79 CD CE NZ
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 ASP A 110 -128.80 45.62
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 SO4 A 291
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 292
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE T4B A 293
DBREF 2NNQ A 1 131 UNP P15090 FABPA_HUMAN 1 131
SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER
SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY
SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN
SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP VAL ILE THR ILE LYS
SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE ILE
SEQRES 6 A 131 LEU GLY GLN GLU PHE ASP GLU VAL THR ALA ASP ASP ARG
SEQRES 7 A 131 LYS VAL LYS SER THR ILE THR LEU ASP GLY GLY VAL LEU
SEQRES 8 A 131 VAL HIS VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE
SEQRES 9 A 131 LYS ARG LYS ARG GLU ASP ASP LYS LEU VAL VAL GLU CYS
SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG
SEQRES 11 A 131 ALA
HET SO4 A 291 5
HET SO4 A 292 5
HET T4B A 293 36
HETNAM SO4 SULFATE ION
HETNAM T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-
HETNAM 2 T4B BIPHENYLYL)OXY)ACETIC ACID
FORMUL 2 SO4 2(O4 S 2-)
FORMUL 4 T4B C31 H26 N2 O3
FORMUL 5 HOH *152(H2 O)
HELIX 1 1 CYS A 1 VAL A 5 5 5
HELIX 2 2 ASN A 15 GLY A 24 1 10
HELIX 3 3 GLY A 26 ALA A 36 1 11
SHEET 1 A10 THR A 60 PHE A 64 0
SHEET 2 A10 VAL A 48 SER A 53 -1 N SER A 53 O THR A 60
SHEET 3 A10 ASN A 39 ASN A 45 -1 N SER A 43 O THR A 50
SHEET 4 A10 GLY A 6 GLU A 14 -1 N TRP A 8 O MET A 40
SHEET 5 A10 VAL A 122 ARG A 130 -1 O VAL A 127 N VAL A 11
SHEET 6 A10 LYS A 112 MET A 119 -1 N VAL A 115 O ARG A 126
SHEET 7 A10 LYS A 100 GLU A 109 -1 N GLU A 109 O LYS A 112
SHEET 8 A10 VAL A 90 TRP A 97 -1 N TRP A 97 O LYS A 100
SHEET 9 A10 PHE A 70 VAL A 73 -1 N PHE A 70 O SER A 82
SITE 1 AC1 8 SER A 13 GLU A 14 ASN A 15 PHE A 16
SITE 2 AC1 8 ASP A 17 HOH A 302 HOH A 335 HOH A 368
SITE 1 AC2 10 LYS A 21 PHE A 27 ARG A 30 ARG A 108
SITE 2 AC2 10 ASP A 111 ARG A 130 HOH A 336 HOH A 345
SITE 3 AC2 10 HOH A 563 HOH A 682
SITE 1 AC3 14 ALA A 33 ALA A 36 PRO A 38 ILE A 51
SITE 2 AC3 14 SER A 53 ALA A 75 ASP A 76 ARG A 106
SITE 3 AC3 14 VAL A 115 CYS A 117 ARG A 126 TYR A 128
SITE 4 AC3 14 HOH A 634 HOH A 664
CRYST1 32.620 53.930 74.410 90.00 90.00 90.00 P 21 21 21 4
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 0.030656 0.000000 0.000000 0.00000
SCALE2 0.000000 0.018543 0.000000 0.00000
SCALE3 0.000000 0.000000 0.013439 0.00000
ATOM 1 N CYS A 1 11.446 16.187 0.805 1.00 30.50 N
ATOM 2 CA CYS A 1 10.673 15.107 1.486 1.00 29.81 C
ATOM 3 C CYS A 1 9.794 14.319 0.533 1.00 27.54 C
ATOM 4 O CYS A 1 8.943 13.552 0.976 1.00 27.55 O
ATOM 5 CB CYS A 1 9.781 15.697 2.574 1.00 31.21 C
ATOM 6 SG CYS A 1 10.641 16.778 3.682 1.00 35.02 S
ATOM 7 N ASP A 2 9.983 14.511 -0.769 1.00 25.59 N
ATOM 8 CA ASP A 2 9.144 13.833 -1.749 1.00 23.79 C
ATOM 9 C ASP A 2 9.078 12.333 -1.471 1.00 20.51 C
ATOM 10 O ASP A 2 8.039 11.708 -1.672 1.00 19.53 O
ATOM 11 CB ASP A 2 9.672 14.074 -3.168 1.00 26.44 C
ATOM 12 CG ASP A 2 9.359 15.473 -3.681 1.00 30.05 C
ATOM 13 OD1 ASP A 2 8.621 16.211 -2.988 1.00 30.52 O
ATOM 14 OD2 ASP A 2 9.847 15.833 -4.776 1.00 31.35 O
ATOM 15 N ALA A 3 10.184 11.765 -0.996 1.00 16.77 N
ATOM 16 CA ALA A 3 10.290 10.319 -0.812 1.00 15.38 C
ATOM 17 C ALA A 3 9.580 9.834 0.456 1.00 13.37 C
ATOM 18 O ALA A 3 9.337 8.635 0.618 1.00 11.49 O
ATOM 19 CB ALA A 3 11.761 9.905 -0.774 1.00 16.41 C
ATOM 20 N PHE A 4 9.261 10.769 1.349 1.00 10.20 N
ATOM 21 CA PHE A 4 8.561 10.446 2.590 1.00 10.79 C
ATOM 22 C PHE A 4 7.052 10.515 2.417 1.00 10.09 C
ATOM 23 O PHE A 4 6.302 9.916 3.190 1.00 9.93 O
ATOM 24 CB PHE A 4 8.975 11.409 3.704 1.00 11.21 C
ATOM 25 CG PHE A 4 10.379 11.209 4.180 1.00 12.09 C
ATOM 26 CD1 PHE A 4 11.401 12.033 3.733 1.00 12.84 C
ATOM 27 CD2 PHE A 4 10.685 10.184 5.060 1.00 11.59 C
ATOM 28 CE1 PHE A 4 12.703 11.834 4.158 1.00 13.02 C
ATOM 29 CE2 PHE A 4 11.982 9.981 5.486 1.00 11.04 C
ATOM 30 CZ PHE A 4 12.993 10.806 5.035 1.00 9.33 C
ATOM 31 N VAL A 5 6.614 11.249 1.399 1.00 7.90 N
ATOM 32 CA VAL A 5 5.199 11.528 1.202 1.00 8.25 C
ATOM 33 C VAL A 5 4.401 10.270 0.878 1.00 9.42 C
ATOM 34 O VAL A 5 4.784 9.471 0.017 1.00 10.50 O
ATOM 35 CB VAL A 5 4.998 12.571 0.077 1.00 8.72 C
ATOM 36 CG1 VAL A 5 3.523 12.729 -0.241 1.00 9.30 C
ATOM 37 CG2 VAL A 5 5.581 13.916 0.516 1.00 8.89 C
ATOM 38 N GLY A 6 3.292 10.093 1.583 1.00 9.23 N
ATOM 39 CA GLY A 6 2.419 8.975 1.295 1.00 10.70 C
ATOM 40 C GLY A 6 1.749 8.407 2.527 1.00 10.59 C
ATOM 41 O GLY A 6 1.782 9.001 3.605 1.00 9.39 O
ATOM 42 N THR A 7 1.124 7.250 2.358 1.00 9.90 N
ATOM 43 CA THR A 7 0.524 6.543 3.478 1.00 10.56 C
ATOM 44 C THR A 7 1.354 5.309 3.797 1.00 10.88 C
ATOM 45 O THR A 7 1.658 4.503 2.914 1.00 10.40 O
ATOM 46 CB THR A 7 -0.922 6.128 3.151 1.00 12.35 C
ATOM 47 OG1 THR A 7 -1.723 7.306 2.978 1.00 11.82 O
ATOM 48 CG2 THR A 7 -1.497 5.272 4.272 1.00 9.88 C
ATOM 49 N TRP A 8 1.734 5.179 5.064 1.00 10.55 N
ATOM 50 CA TRP A 8 2.651 4.134 5.486 1.00 9.00 C
ATOM 51 C TRP A 8 1.997 3.291 6.569 1.00 10.07 C
ATOM 52 O TRP A 8 1.193 3.788 7.354 1.00 10.21 O
ATOM 53 CB TRP A 8 3.942 4.756 6.022 1.00 8.61 C
ATOM 54 CG TRP A 8 4.655 5.593 5.011 1.00 6.73 C
ATOM 55 CD1 TRP A 8 4.465 6.919 4.766 1.00 7.80 C
ATOM 56 CD2 TRP A 8 5.646 5.149 4.078 1.00 7.74 C
ATOM 57 NE1 TRP A 8 5.275 7.331 3.733 1.00 8.59 N
ATOM 58 CE2 TRP A 8 6.010 6.261 3.294 1.00 7.90 C
ATOM 59 CE3 TRP A 8 6.261 3.917 3.828 1.00 7.53 C
ATOM 60 CZ2 TRP A 8 6.961 6.179 2.277 1.00 7.99 C
ATOM 61 CZ3 TRP A 8 7.204 3.838 2.819 1.00 6.26 C
ATOM 62 CH2 TRP A 8 7.544 4.959 2.057 1.00 7.53 C
ATOM 63 N LYS A 9 2.348 2.012 6.603 1.00 11.15 N
ATOM 64 CA LYS A 9 1.812 1.107 7.610 1.00 11.76 C
ATOM 65 C LYS A 9 2.961 0.421 8.339 1.00 10.61 C
ATOM 66 O LYS A 9 3.961 0.048 7.726 1.00 10.10 O
ATOM 67 CB LYS A 9 0.919 0.059 6.943 1.00 13.39 C
ATOM 68 CG LYS A 9 1.654 -0.794 5.936 1.00 17.34 C
ATOM 69 CD LYS A 9 0.751 -1.823 5.277 1.00 20.51 C
ATOM 70 CE LYS A 9 1.545 -2.649 4.274 1.00 22.04 C
ATOM 71 NZ LYS A 9 0.665 -3.501 3.425 1.00 24.66 N
ATOM 72 N LEU A 10 2.810 0.258 9.650 1.00 10.39 N
ATOM 73 CA LEU A 10 3.836 -0.372 10.473 1.00 11.16 C
ATOM 74 C LEU A 10 3.954 -1.857 10.166 1.00 10.82 C
ATOM 75 O LEU A 10 2.986 -2.593 10.293 1.00 12.24 O
ATOM 76 CB LEU A 10 3.500 -0.196 11.955 1.00 11.59 C
ATOM 77 CG LEU A 10 4.548 -0.736 12.923 1.00 11.59 C
ATOM 78 CD1 LEU A 10 5.814 0.089 12.802 1.00 13.16 C
ATOM 79 CD2 LEU A 10 4.010 -0.678 14.341 1.00 12.40 C
ATOM 80 N VAL A 11 5.144 -2.300 9.773 1.00 10.81 N
ATOM 81 CA VAL A 11 5.349 -3.708 9.461 1.00 11.44 C
ATOM 82 C VAL A 11 6.144 -4.447 10.542 1.00 12.30 C
ATOM 83 O VAL A 11 5.990 -5.654 10.716 1.00 12.23 O
ATOM 84 CB VAL A 11 6.052 -3.880 8.092 1.00 12.92 C
ATOM 85 CG1 VAL A 11 5.159 -3.337 6.978 1.00 11.11 C
ATOM 86 CG2 VAL A 11 7.386 -3.158 8.094 1.00 14.92 C
ATOM 87 N SER A 12 6.989 -3.728 11.274 1.00 10.22 N
ATOM 88 CA SER A 12 7.708 -4.345 12.383 1.00 9.92 C
ATOM 89 C SER A 12 8.194 -3.343 13.420 1.00 9.30 C
ATOM 90 O SER A 12 8.341 -2.153 13.143 1.00 7.42 O
ATOM 91 CB SER A 12 8.891 -5.174 11.864 1.00 10.79 C
ATOM 92 OG SER A 12 9.870 -4.371 11.234 1.00 8.91 O
ATOM 93 N SER A 13 8.428 -3.843 14.628 1.00 9.03 N
ATOM 94 CA SER A 13 8.880 -3.012 15.729 1.00 8.73 C
ATOM 95 C SER A 13 9.896 -3.787 16.553 1.00 8.38 C
ATOM 96 O SER A 13 9.749 -4.990 16.764 1.00 8.31 O
ATOM 97 CB SER A 13 7.689 -2.618 16.606 1.00 8.93 C
ATOM 98 OG SER A 13 8.097 -1.782 17.671 1.00 8.78 O
ATOM 99 N GLU A 14 10.935 -3.098 17.004 1.00 9.51 N
ATOM 100 CA GLU A 14 11.918 -3.703 17.887 1.00 9.86 C
ATOM 101 C GLU A 14 12.248 -2.754 19.033 1.00 9.66 C
ATOM 102 O GLU A 14 12.537 -1.576 18.813 1.00 8.81 O
ATOM 103 CB GLU A 14 13.193 -4.047 17.112 1.00 12.53 C
ATOM 104 CG GLU A 14 13.001 -5.133 16.042 1.00 18.10 C
ATOM 105 CD GLU A 14 12.834 -6.533 16.633 1.00 21.81 C
ATOM 106 OE1 GLU A 14 12.856 -6.679 17.876 1.00 24.19 O
ATOM 107 OE2 GLU A 14 12.685 -7.496 15.848 1.00 24.57 O
ATOM 108 N ASN A 15 12.187 -3.281 20.253 1.00 8.90 N
ATOM 109 CA ASN A 15 12.610 -2.557 21.451 1.00 10.04 C
ATOM 110 C ASN A 15 11.808 -1.293 21.738 1.00 9.97 C
ATOM 111 O ASN A 15 12.279 -0.416 22.465 1.00 9.30 O
ATOM 112 CB ASN A 15 14.089 -2.192 21.345 1.00 11.16 C
ATOM 113 CG ASN A 15 14.974 -3.405 21.177 1.00 12.79 C
ATOM 114 OD1 ASN A 15 15.677 -3.537 20.177 1.00 17.97 O
ATOM 115 ND2 ASN A 15 14.948 -4.299 22.155 1.00 12.87 N
ATOM 116 N PHE A 16 10.606 -1.183 21.180 1.00 7.70 N
ATOM 117 CA PHE A 16 9.835 0.029 21.399 1.00 7.55 C
ATOM 118 C PHE A 16 9.324 0.150 22.832 1.00 7.12 C
ATOM 119 O PHE A 16 9.182 1.259 23.348 1.00 7.42 O
ATOM 120 CB PHE A 16 8.660 0.124 20.423 1.00 8.74 C
ATOM 121 CG PHE A 16 7.995 1.474 20.426 1.00 8.19 C
ATOM 122 CD1 PHE A 16 8.679 2.594 19.974 1.00 7.16 C
ATOM 123 CD2 PHE A 16 6.701 1.629 20.906 1.00 9.51 C
ATOM 124 CE1 PHE A 16 8.089 3.849 20.005 1.00 8.06 C
ATOM 125 CE2 PHE A 16 6.102 2.880 20.940 1.00 9.50 C
ATOM 126 CZ PHE A 16 6.799 3.994 20.489 1.00 7.86 C
ATOM 127 N ASP A 17 9.051 -0.977 23.483 1.00 7.93 N
ATOM 128 CA ASP A 17 8.662 -0.930 24.891 1.00 8.56 C
ATOM 129 C ASP A 17 9.798 -0.398 25.762 1.00 8.24 C
ATOM 130 O ASP A 17 9.561 0.357 26.704 1.00 9.92 O
ATOM 131 CB ASP A 17 8.250 -2.314 25.399 1.00 9.29 C
ATOM 132 CG ASP A 17 7.827 -2.286 26.857 1.00 12.38 C
ATOM 133 OD1 ASP A 17 6.826 -1.604 27.167 1.00 12.62 O
ATOM 134 OD2 ASP A 17 8.499 -2.930 27.692 1.00 13.11 O
ATOM 135 N ASP A 18 11.032 -0.783 25.448 1.00 8.04 N
ATOM 136 CA ASP A 18 12.185 -0.305 26.214 1.00 9.49 C
ATOM 137 C ASP A 18 12.412 1.186 25.988 1.00 8.59 C
ATOM 138 O ASP A 18 12.707 1.932 26.924 1.00 8.85 O
ATOM 139 CB ASP A 18 13.446 -1.073 25.818 1.00 11.99 C
ATOM 140 CG ASP A 18 13.495 -2.459 26.420 1.00 16.64 C
ATOM 141 OD1 ASP A 18 13.308 -2.582 27.645 1.00 19.96 O
ATOM 142 OD2 ASP A 18 13.721 -3.423 25.664 1.00 21.27 O
ATOM 143 N TYR A 19 12.275 1.622 24.741 1.00 7.96 N
ATOM 144 CA TYR A 19 12.419 3.037 24.432 1.00 7.16 C
ATOM 145 C TYR A 19 11.383 3.837 25.210 1.00 7.39 C
ATOM 146 O TYR A 19 11.702 4.860 25.813 1.00 7.77 O
ATOM 147 CB TYR A 19 12.248 3.277 22.930 1.00 7.79 C
ATOM 148 CG TYR A 19 12.112 4.739 22.569 1.00 7.44 C
ATOM 149 CD1 TYR A 19 13.222 5.575 22.533 1.00 6.36 C
ATOM 150 CD2 TYR A 19 10.866 5.289 22.290 1.00 7.63 C
ATOM 151 CE1 TYR A 19 13.096 6.921 22.236 1.00 5.42 C
ATOM 152 CE2 TYR A 19 10.729 6.631 21.991 1.00 6.94 C
ATOM 153 CZ TYR A 19 11.844 7.445 21.968 1.00 7.50 C
ATOM 154 OH TYR A 19 11.695 8.791 21.693 1.00 8.83 O
ATOM 155 N MET A 20 10.141 3.364 25.207 1.00 6.56 N
ATOM 156 CA MET A 20 9.087 4.023 25.964 1.00 8.22 C
ATOM 157 C MET A 20 9.381 4.069 27.467 1.00 8.41 C
ATOM 158 O MET A 20 9.134 5.083 28.117 1.00 9.42 O
ATOM 159 CB MET A 20 7.743 3.333 25.717 1.00 7.52 C
ATOM 160 CG MET A 20 7.133 3.656 24.366 1.00 8.74 C
ATOM 161 SD MET A 20 5.365 3.277 24.282 1.00 10.32 S
ATOM 162 CE MET A 20 5.415 1.490 24.203 1.00 8.05 C
ATOM 163 N LYS A 21 9.917 2.985 28.021 1.00 9.44 N
ATOM 164 CA LYS A 21 10.271 2.983 29.439 1.00 9.67 C
ATOM 165 C LYS A 21 11.318 4.050 29.708 1.00 11.15 C
ATOM 166 O LYS A 21 11.309 4.694 30.758 1.00 12.32 O
ATOM 167 CB LYS A 21 10.835 1.627 29.866 1.00 12.20 C
ATOM 168 CG LYS A 21 9.806 0.528 30.053 1.00 13.19 C
ATOM 169 CD LYS A 21 10.448 -0.697 30.691 1.00 13.41 C
ATOM 170 CE LYS A 21 9.416 -1.776 30.972 1.00 15.60 C
ATOM 171 NZ LYS A 21 10.053 -3.069 31.351 1.00 16.73 N
ATOM 172 N GLU A 22 12.223 4.229 28.749 1.00 10.65 N
ATOM 173 CA GLU A 22 13.328 5.165 28.892 1.00 11.81 C
ATOM 174 C GLU A 22 12.811 6.603 28.800 1.00 12.54 C
ATOM 175 O GLU A 22 13.331 7.508 29.464 1.00 12.99 O
ATOM 176 CB GLU A 22 14.364 4.899 27.793 1.00 13.48 C
ATOM 177 CG GLU A 22 15.760 5.397 28.104 1.00 16.37 C
ATOM 178 CD GLU A 22 16.347 4.760 29.347 1.00 17.99 C
ATOM 179 OE1 GLU A 22 15.958 3.623 29.696 1.00 16.70 O
ATOM 180 OE2 GLU A 22 17.205 5.407 29.979 1.00 19.96 O
ATOM 181 N VAL A 23 11.778 6.800 27.982 1.00 11.24 N
ATOM 182 CA VAL A 23 11.126 8.097 27.834 1.00 11.33 C
ATOM 183 C VAL A 23 10.303 8.452 29.070 1.00 11.90 C
ATOM 184 O VAL A 23 10.094 9.629 29.365 1.00 14.11 O
ATOM 185 CB VAL A 23 10.197 8.117 26.583 1.00 11.54 C
ATOM 186 CG1 VAL A 23 9.333 9.369 26.580 1.00 12.11 C
ATOM 187 CG2 VAL A 23 11.033 8.080 25.314 1.00 10.90 C
ATOM 188 N GLY A 24 9.838 7.433 29.788 1.00 10.71 N
ATOM 189 CA GLY A 24 9.089 7.670 31.011 1.00 10.11 C
ATOM 190 C GLY A 24 7.615 7.317 30.896 1.00 10.96 C
ATOM 191 O GLY A 24 6.814 7.693 31.749 1.00 11.71 O
ATOM 192 N VAL A 25 7.255 6.593 29.841 1.00 10.07 N
ATOM 193 CA VAL A 25 5.864 6.216 29.605 1.00 8.91 C
ATOM 194 C VAL A 25 5.438 5.145 30.609 1.00 9.11 C
ATOM 195 O VAL A 25 6.146 4.159 30.813 1.00 8.19 O
ATOM 196 CB VAL A 25 5.671 5.655 28.178 1.00 8.68 C
ATOM 197 CG1 VAL A 25 4.202 5.428 27.906 1.00 8.52 C
ATOM 198 CG2 VAL A 25 6.258 6.615 27.149 1.00 8.99 C
ATOM 199 N GLY A 26 4.277 5.341 31.224 1.00 8.89 N
ATOM 200 CA GLY A 26 3.833 4.438 32.272 1.00 8.98 C
ATOM 201 C GLY A 26 3.311 3.117 31.738 1.00 10.45 C
ATOM 202 O GLY A 26 3.044 2.983 30.544 1.00 9.67 O
ATOM 203 N PHE A 27 3.146 2.147 32.634 1.00 9.39 N
ATOM 204 CA PHE A 27 2.823 0.775 32.255 1.00 9.79 C
ATOM 205 C PHE A 27 1.663 0.644 31.270 1.00 9.87 C
ATOM 206 O PHE A 27 1.816 0.051 30.198 1.00 10.03 O
ATOM 207 CB PHE A 27 2.503 -0.056 33.503 1.00 11.07 C
ATOM 208 CG PHE A 27 2.143 -1.481 33.200 1.00 10.43 C
ATOM 209 CD1 PHE A 27 0.815 -1.875 33.115 1.00 11.80 C
ATOM 210 CD2 PHE A 27 3.133 -2.428 32.986 1.00 10.63 C
ATOM 211 CE1 PHE A 27 0.482 -3.194 32.818 1.00 9.76 C
ATOM 212 CE2 PHE A 27 2.806 -3.748 32.688 1.00 11.14 C
ATOM 213 CZ PHE A 27 1.480 -4.128 32.605 1.00 9.49 C
ATOM 214 N ALA A 28 0.506 1.184 31.637 1.00 9.65 N
ATOM 215 CA ALA A 28 -0.717 0.917 30.887 1.00 10.09 C
ATOM 216 C ALA A 28 -0.645 1.515 29.489 1.00 9.56 C
ATOM 217 O ALA A 28 -1.052 0.884 28.515 1.00 8.82 O
ATOM 218 CB ALA A 28 -1.925 1.467 31.631 1.00 9.88 C
ATOM 219 N THR A 29 -0.120 2.732 29.393 1.00 9.76 N
ATOM 220 CA THR A 29 0.070 3.370 28.094 1.00 10.39 C
ATOM 221 C THR A 29 1.044 2.555 27.247 1.00 9.71 C
ATOM 222 O THR A 29 0.817 2.348 26.051 1.00 10.31 O
ATOM 223 CB THR A 29 0.609 4.807 28.255 1.00 10.42 C
ATOM 224 OG1 THR A 29 -0.332 5.591 28.998 1.00 12.37 O
ATOM 225 CG2 THR A 29 0.830 5.453 26.897 1.00 11.76 C
ATOM 226 N ARG A 30 2.122 2.080 27.865 1.00 9.11 N
ATOM 227 CA ARG A 30 3.099 1.260 27.150 1.00 9.12 C
ATOM 228 C ARG A 30 2.461 -0.004 26.580 1.00 9.49 C
ATOM 229 O ARG A 30 2.739 -0.389 25.447 1.00 7.78 O
ATOM 230 CB ARG A 30 4.261 0.863 28.071 1.00 8.83 C
ATOM 231 CG ARG A 30 5.264 1.974 28.343 1.00 8.62 C
ATOM 232 CD ARG A 30 6.646 1.414 28.671 1.00 7.56 C
ATOM 233 NE ARG A 30 6.577 0.242 29.540 1.00 8.61 N
ATOM 234 CZ ARG A 30 6.411 0.298 30.858 1.00 9.75 C
ATOM 235 NH1 ARG A 30 6.301 1.474 31.463 1.00 10.34 N
ATOM 236 NH2 ARG A 30 6.344 -0.821 31.571 1.00 8.49 N
ATOM 237 N LYS A 31 1.614 -0.649 27.374 1.00 8.89 N
ATOM 238 CA LYS A 31 0.947 -1.876 26.946 1.00 10.13 C
ATOM 239 C LYS A 31 0.033 -1.632 25.749 1.00 10.22 C
ATOM 240 O LYS A 31 0.074 -2.369 24.762 1.00 9.35 O
ATOM 241 CB LYS A 31 0.120 -2.457 28.095 1.00 10.28 C
ATOM 242 CG LYS A 31 0.922 -2.752 29.353 1.00 12.74 C
ATOM 243 CD LYS A 31 1.891 -3.902 29.147 1.00 14.88 C
ATOM 244 CE LYS A 31 3.319 -3.401 28.980 1.00 17.11 C
ATOM 245 NZ LYS A 31 4.270 -4.535 28.820 1.00 19.06 N
ATOM 246 N VAL A 32 -0.791 -0.597 25.843 1.00 10.73 N
ATOM 247 CA VAL A 32 -1.768 -0.316 24.803 1.00 10.81 C
ATOM 248 C VAL A 32 -1.098 0.184 23.529 1.00 10.87 C
ATOM 249 O VAL A 32 -1.472 -0.213 22.429 1.00 10.52 O
ATOM 250 CB VAL A 32 -2.796 0.734 25.265 1.00 11.58 C
ATOM 251 CG1 VAL A 32 -3.706 1.103 24.104 1.00 12.19 C
ATOM 252 CG2 VAL A 32 -3.627 0.180 26.418 1.00 12.54 C
ATOM 253 N ALA A 33 -0.104 1.054 23.677 1.00 9.48 N
ATOM 254 CA ALA A 33 0.593 1.591 22.513 1.00 9.72 C
ATOM 255 C ALA A 33 1.413 0.498 21.827 1.00 9.16 C
ATOM 256 O ALA A 33 1.458 0.426 20.600 1.00 9.01 O
ATOM 257 CB ALA A 33 1.497 2.743 22.930 1.00 8.10 C
ATOM 258 N GLY A 34 2.062 -0.346 22.624 1.00 8.42 N
ATOM 259 CA GLY A 34 2.835 -1.439 22.066 1.00 10.69 C
ATOM 260 C GLY A 34 2.012 -2.352 21.174 1.00 11.47 C
ATOM 261 O GLY A 34 2.525 -2.904 20.199 1.00 10.09 O
ATOM 262 N MET A 35 0.731 -2.505 21.503 1.00 11.17 N
ATOM 263 CA MET A 35 -0.168 -3.369 20.742 1.00 11.05 C
ATOM 264 C MET A 35 -0.640 -2.732 19.437 1.00 10.10 C
ATOM 265 O MET A 35 -0.966 -3.434 18.481 1.00 9.94 O
ATOM 266 CB MET A 35 -1.399 -3.729 21.582 1.00 11.86 C
ATOM 267 CG MET A 35 -1.164 -4.802 22.627 1.00 12.24 C
ATOM 268 SD MET A 35 -1.044 -6.451 21.910 1.00 14.26 S
ATOM 269 CE MET A 35 -2.572 -6.576 21.049 1.00 12.72 C
ATOM 270 N ALA A 36 -0.690 -1.405 19.398 1.00 10.65 N
ATOM 271 CA ALA A 36 -1.243 -0.716 18.237 1.00 9.92 C
ATOM 272 C ALA A 36 -0.372 -0.894 16.992 1.00 9.99 C
ATOM 273 O ALA A 36 0.828 -1.143 17.085 1.00 10.18 O
ATOM 274 CB ALA A 36 -1.419 0.759 18.547 1.00 9.69 C
ATOM 275 N LYS A 37 -0.996 -0.775 15.825 1.00 9.76 N
ATOM 276 CA LYS A 37 -0.287 -0.861 14.556 1.00 10.04 C
ATOM 277 C LYS A 37 -0.583 0.398 13.755 1.00 9.66 C
ATOM 278 O LYS A 37 -1.328 0.367 12.776 1.00 10.44 O
ATOM 279 CB LYS A 37 -0.745 -2.100 13.784 1.00 10.30 C
ATOM 280 CG LYS A 37 -0.380 -3.411 14.473 1.00 15.81 C
ATOM 281 CD LYS A 37 1.130 -3.646 14.458 1.00 17.63 C
ATOM 282 CE LYS A 37 1.497 -5.007 15.042 1.00 18.88 C
ATOM 283 NZ LYS A 37 1.327 -5.049 16.527 1.00 21.99 N
ATOM 284 N PRO A 38 -0.005 1.531 14.177 1.00 10.05 N
ATOM 285 CA PRO A 38 -0.342 2.832 13.594 1.00 8.65 C
ATOM 286 C PRO A 38 0.070 2.925 12.138 1.00 9.08 C
ATOM 287 O PRO A 38 0.985 2.229 11.694 1.00 7.32 O
ATOM 288 CB PRO A 38 0.426 3.826 14.459 1.00 10.09 C
ATOM 289 CG PRO A 38 1.579 3.040 14.985 1.00 10.68 C
ATOM 290 CD PRO A 38 1.062 1.638 15.185 1.00 8.68 C
ATOM 291 N ASN A 39 -0.610 3.789 11.394 1.00 8.62 N
ATOM 292 CA ASN A 39 -0.118 4.173 10.082 1.00 11.50 C
ATOM 293 C ASN A 39 0.555 5.537 10.201 1.00 11.12 C
ATOM 294 O ASN A 39 0.583 6.139 11.279 1.00 11.03 O
ATOM 295 CB ASN A 39 -1.271 4.234 9.075 1.00 13.95 C
ATOM 296 CG ASN A 39 -2.284 5.305 9.412 1.00 14.91 C
ATOM 297 OD1 ASN A 39 -2.055 6.137 10.289 1.00 16.78 O
ATOM 298 ND2 ASN A 39 -3.416 5.291 8.715 1.00 16.59 N
ATOM 299 N MET A 40 1.114 6.013 9.099 1.00 10.47 N
ATOM 300 CA MET A 40 1.558 7.396 9.010 1.00 11.18 C
ATOM 301 C MET A 40 1.095 7.919 7.666 1.00 10.32 C
ATOM 302 O MET A 40 1.254 7.244 6.649 1.00 12.50 O
ATOM 303 CB MET A 40 3.086 7.489 9.094 1.00 10.39 C
ATOM 304 CG MET A 40 3.654 7.551 10.499 1.00 11.54 C
ATOM 305 SD MET A 40 5.380 8.090 10.467 1.00 11.41 S
ATOM 306 CE MET A 40 6.124 6.774 9.487 1.00 10.18 C
ATOM 307 N ILE A 41 0.508 9.110 7.671 1.00 9.62 N
ATOM 308 CA ILE A 41 0.110 9.791 6.448 1.00 9.51 C
ATOM 309 C ILE A 41 0.969 11.042 6.373 1.00 8.91 C
ATOM 310 O ILE A 41 0.754 11.991 7.127 1.00 10.14 O
ATOM 311 CB ILE A 41 -1.367 10.237 6.497 1.00 10.73 C
ATOM 312 CG1 ILE A 41 -2.265 9.067 6.911 1.00 12.50 C
ATOM 313 CG2 ILE A 41 -1.781 10.783 5.134 1.00 10.28 C
ATOM 314 CD1 ILE A 41 -2.276 7.924 5.934 1.00 15.83 C
ATOM 315 N ILE A 42 1.953 11.039 5.485 1.00 7.49 N
ATOM 316 CA ILE A 42 2.884 12.153 5.398 1.00 7.73 C
ATOM 317 C ILE A 42 2.599 12.983 4.159 1.00 7.37 C
ATOM 318 O ILE A 42 2.518 12.451 3.054 1.00 9.17 O
ATOM 319 CB ILE A 42 4.342 11.655 5.349 1.00 7.45 C
ATOM 320 CG1 ILE A 42 4.673 10.918 6.655 1.00 9.12 C
ATOM 321 CG2 ILE A 42 5.287 12.830 5.137 1.00 6.69 C
ATOM 322 CD1 ILE A 42 6.042 10.257 6.673 1.00 8.41 C
ATOM 323 N SER A 43 2.440 14.288 4.349 1.00 7.01 N
ATOM 324 CA SER A 43 2.145 15.183 3.240 1.00 7.72 C
ATOM 325 C SER A 43 2.967 16.461 3.336 1.00 8.16 C
ATOM 326 O SER A 43 3.424 16.835 4.416 1.00 8.23 O
ATOM 327 CB SER A 43 0.646 15.514 3.208 1.00 6.76 C
ATOM 328 OG SER A 43 0.203 16.088 4.429 1.00 9.40 O
ATOM 329 N VAL A 44 3.164 17.115 2.195 1.00 9.00 N
ATOM 330 CA VAL A 44 3.877 18.385 2.138 1.00 9.60 C
ATOM 331 C VAL A 44 3.061 19.392 1.334 1.00 10.96 C
ATOM 332 O VAL A 44 2.600 19.092 0.231 1.00 11.23 O
ATOM 333 CB VAL A 44 5.257 18.234 1.452 1.00 9.93 C
ATOM 334 CG1 VAL A 44 5.974 19.577 1.430 1.00 11.31 C
ATOM 335 CG2 VAL A 44 6.096 17.192 2.176 1.00 10.27 C
ATOM 336 N ASN A 45 2.894 20.587 1.887 1.00 10.10 N
ATOM 337 CA ASN A 45 2.198 21.664 1.193 1.00 9.17 C
ATOM 338 C ASN A 45 3.040 22.933 1.331 1.00 8.50 C
ATOM 339 O ASN A 45 3.101 23.536 2.403 1.00 7.91 O
ATOM 340 CB ASN A 45 0.809 21.857 1.814 1.00 9.11 C
ATOM 341 CG ASN A 45 -0.002 22.940 1.129 1.00 8.08 C
ATOM 342 OD1 ASN A 45 -1.220 22.825 1.007 1.00 10.38 O
ATOM 343 ND2 ASN A 45 0.665 24.000 0.689 1.00 7.18 N
ATOM 344 N GLY A 46 3.700 23.326 0.247 1.00 8.81 N
ATOM 345 CA GLY A 46 4.673 24.396 0.344 1.00 9.23 C
ATOM 346 C GLY A 46 5.814 24.002 1.263 1.00 10.35 C
ATOM 347 O GLY A 46 6.445 22.963 1.060 1.00 11.00 O
ATOM 348 N ASP A 47 6.075 24.821 2.280 1.00 10.04 N
ATOM 349 CA ASP A 47 7.147 24.536 3.226 1.00 10.70 C
ATOM 350 C ASP A 47 6.636 23.759 4.438 1.00 10.97 C
ATOM 351 O ASP A 47 7.407 23.452 5.351 1.00 10.92 O
ATOM 352 CB ASP A 47 7.797 25.829 3.722 1.00 13.39 C
ATOM 353 CG ASP A 47 8.420 26.644 2.608 1.00 14.31 C
ATOM 354 OD1 ASP A 47 8.386 27.888 2.707 1.00 18.33 O
ATOM 355 OD2 ASP A 47 8.944 26.057 1.645 1.00 16.33 O
ATOM 356 N VAL A 48 5.339 23.459 4.467 1.00 8.75 N
ATOM 357 CA VAL A 48 4.764 22.819 5.644 1.00 7.55 C
ATOM 358 C VAL A 48 4.645 21.319 5.455 1.00 7.09 C
ATOM 359 O VAL A 48 4.003 20.840 4.520 1.00 7.67 O
ATOM 360 CB VAL A 48 3.367 23.382 5.995 1.00 7.92 C
ATOM 361 CG1 VAL A 48 2.847 22.715 7.261 1.00 7.97 C
ATOM 362 CG2 VAL A 48 3.444 24.887 6.192 1.00 7.77 C
ATOM 363 N ILE A 49 5.280 20.584 6.357 1.00 6.10 N
ATOM 364 CA ILE A 49 5.231 19.138 6.343 1.00 7.33 C
ATOM 365 C ILE A 49 4.235 18.708 7.408 1.00 6.85 C
ATOM 366 O ILE A 49 4.195 19.273 8.499 1.00 7.24 O
ATOM 367 CB ILE A 49 6.623 18.544 6.657 1.00 8.67 C
ATOM 368 CG1 ILE A 49 7.653 19.110 5.673 1.00 10.32 C
ATOM 369 CG2 ILE A 49 6.578 17.023 6.571 1.00 8.22 C
ATOM 370 CD1 ILE A 49 9.089 18.749 6.001 1.00 9.29 C
ATOM 371 N THR A 50 3.412 17.723 7.083 1.00 6.68 N
ATOM 372 CA THR A 50 2.490 17.176 8.063 1.00 6.62 C
ATOM 373 C THR A 50 2.720 15.684 8.198 1.00 7.06 C
ATOM 374 O THR A 50 2.764 14.963 7.202 1.00 6.91 O
ATOM 375 CB THR A 50 1.017 17.411 7.659 1.00 6.36 C
ATOM 376 OG1 THR A 50 0.741 18.815 7.649 1.00 8.51 O
ATOM 377 CG2 THR A 50 0.083 16.731 8.651 1.00 7.90 C
ATOM 378 N ILE A 51 2.874 15.229 9.436 1.00 7.07 N
ATOM 379 CA ILE A 51 2.893 13.804 9.719 1.00 7.67 C
ATOM 380 C ILE A 51 1.675 13.474 10.565 1.00 7.65 C
ATOM 381 O ILE A 51 1.559 13.908 11.710 1.00 7.88 O
ATOM 382 CB ILE A 51 4.172 13.386 10.483 1.00 7.26 C
ATOM 383 CG1 ILE A 51 5.412 13.802 9.688 1.00 7.51 C
ATOM 384 CG2 ILE A 51 4.182 11.874 10.688 1.00 6.79 C
ATOM 385 CD1 ILE A 51 6.725 13.439 10.365 1.00 5.54 C
ATOM 386 N LYS A 52 0.761 12.717 9.972 1.00 9.56 N
ATOM 387 CA LYS A 52 -0.486 12.341 10.621 1.00 11.17 C
ATOM 388 C LYS A 52 -0.474 10.839 10.896 1.00 9.87 C
ATOM 389 O LYS A 52 0.109 10.064 10.139 1.00 10.03 O
ATOM 390 CB LYS A 52 -1.656 12.707 9.703 1.00 13.13 C
ATOM 391 CG LYS A 52 -3.030 12.296 10.195 1.00 14.35 C
ATOM 392 CD LYS A 52 -4.090 12.893 9.280 1.00 16.85 C
ATOM 393 CE LYS A 52 -5.500 12.490 9.688 1.00 19.64 C
ATOM 394 NZ LYS A 52 -6.527 13.198 8.855 1.00 18.96 N
ATOM 395 N SER A 53 -1.104 10.427 11.987 1.00 10.16 N
ATOM 396 CA SER A 53 -1.199 9.008 12.292 1.00 11.29 C
ATOM 397 C SER A 53 -2.558 8.654 12.867 1.00 11.90 C
ATOM 398 O SER A 53 -3.042 9.311 13.785 1.00 13.60 O
ATOM 399 CB SER A 53 -0.118 8.607 13.289 1.00 8.89 C
ATOM 400 OG SER A 53 -0.264 7.247 13.662 1.00 11.45 O
ATOM 401 N GLU A 54 -3.167 7.612 12.318 1.00 11.89 N
ATOM 402 CA GLU A 54 -4.352 7.023 12.923 1.00 12.52 C
ATOM 403 C GLU A 54 -4.001 5.664 13.515 1.00 11.52 C
ATOM 404 O GLU A 54 -3.310 4.864 12.887 1.00 12.69 O
ATOM 405 N SER A 55 -4.467 5.413 14.732 1.00 12.74 N
ATOM 406 CA SER A 55 -4.385 4.077 15.314 1.00 12.18 C
ATOM 407 C SER A 55 -5.464 3.902 16.368 1.00 12.68 C
ATOM 408 O SER A 55 -6.145 4.855 16.737 1.00 11.95 O
ATOM 409 CB SER A 55 -3.010 3.841 15.946 1.00 11.95 C
ATOM 410 OG SER A 55 -2.825 4.639 17.104 1.00 11.16 O
ATOM 411 N THR A 56 -5.615 2.675 16.851 1.00 13.45 N
ATOM 412 CA THR A 56 -6.543 2.394 17.937 1.00 14.76 C
ATOM 413 C THR A 56 -6.079 3.021 19.252 1.00 15.89 C
ATOM 414 O THR A 56 -6.883 3.221 20.160 1.00 17.28 O
ATOM 415 CB THR A 56 -6.698 0.877 18.156 1.00 15.69 C
ATOM 416 OG1 THR A 56 -5.413 0.303 18.416 1.00 17.70 O
ATOM 417 CG2 THR A 56 -7.307 0.211 16.921 1.00 13.14 C
ATOM 418 N PHE A 57 -4.786 3.321 19.358 1.00 16.34 N
ATOM 419 CA PHE A 57 -4.241 3.953 20.561 1.00 16.35 C
ATOM 420 C PHE A 57 -4.573 5.439 20.590 1.00 17.00 C
ATOM 421 O PHE A 57 -5.139 5.946 21.560 1.00 16.41 O
ATOM 422 CB PHE A 57 -2.716 3.776 20.621 1.00 15.94 C
ATOM 423 CG PHE A 57 -2.056 4.550 21.733 1.00 15.26 C
ATOM 424 CD1 PHE A 57 -2.461 4.387 23.047 1.00 14.85 C
ATOM 425 CD2 PHE A 57 -1.021 5.434 21.463 1.00 16.63 C
ATOM 426 CE1 PHE A 57 -1.846 5.090 24.074 1.00 16.13 C
ATOM 427 CE2 PHE A 57 -0.402 6.140 22.486 1.00 16.56 C
ATOM 428 CZ PHE A 57 -0.816 5.966 23.794 1.00 14.59 C
ATOM 429 N LYS A 58 -4.216 6.137 19.519 1.00 17.30 N
ATOM 430 CA LYS A 58 -4.457 7.567 19.439 1.00 17.72 C
ATOM 431 C LYS A 58 -4.365 8.048 17.998 1.00 16.94 C
ATOM 432 O LYS A 58 -3.623 7.498 17.187 1.00 15.75 O
ATOM 433 CB LYS A 58 -3.443 8.321 20.304 1.00 20.06 C
ATOM 434 CG LYS A 58 -3.657 9.827 20.337 1.00 23.81 C
ATOM 435 CD LYS A 58 -2.865 10.488 21.456 1.00 27.72 C
ATOM 436 CE LYS A 58 -2.849 12.006 21.286 1.00 30.74 C
ATOM 437 NZ LYS A 58 -1.862 12.683 22.190 1.00 32.04 N
ATOM 438 N ASN A 59 -5.142 9.071 17.681 1.00 17.16 N
ATOM 439 CA ASN A 59 -4.977 9.770 16.425 1.00 16.20 C
ATOM 440 C ASN A 59 -4.255 11.067 16.744 1.00 15.64 C
ATOM 441 O ASN A 59 -4.741 11.877 17.536 1.00 16.01 O
ATOM 442 CB ASN A 59 -6.343 10.046 15.798 1.00 16.86 C
ATOM 443 CG ASN A 59 -7.165 8.779 15.621 1.00 18.61 C
ATOM 444 OD1 ASN A 59 -8.365 8.753 15.914 1.00 21.98 O
ATOM 445 ND2 ASN A 59 -6.523 7.720 15.152 1.00 16.03 N
ATOM 446 N THR A 60 -3.078 11.242 16.154 1.00 13.34 N
ATOM 447 CA THR A 60 -2.298 12.455 16.366 1.00 14.62 C
ATOM 448 C THR A 60 -1.741 12.974 15.048 1.00 13.26 C
ATOM 449 O THR A 60 -1.724 12.265 14.038 1.00 12.59 O
ATOM 450 CB THR A 60 -1.096 12.223 17.297 1.00 15.02 C
ATOM 451 OG1 THR A 60 -1.401 11.201 18.249 1.00 20.78 O
ATOM 452 CG2 THR A 60 -0.781 13.503 18.054 1.00 17.72 C
ATOM 453 N GLU A 61 -1.266 14.212 15.075 1.00 12.42 N
ATOM 454 CA GLU A 61 -0.763 14.859 13.876 1.00 12.67 C
ATOM 455 C GLU A 61 0.131 16.035 14.248 1.00 11.13 C
ATOM 456 O GLU A 61 -0.194 16.810 15.148 1.00 10.69 O
ATOM 457 CB GLU A 61 -1.949 15.326 13.033 1.00 14.74 C
ATOM 458 CG GLU A 61 -1.683 16.509 12.136 1.00 18.08 C
ATOM 459 CD GLU A 61 -2.950 16.978 11.448 1.00 19.55 C
ATOM 460 OE1 GLU A 61 -3.858 16.143 11.259 1.00 22.55 O
ATOM 461 OE2 GLU A 61 -3.049 18.172 11.109 1.00 20.07 O
ATOM 462 N ILE A 62 1.269 16.155 13.571 1.00 9.27 N
ATOM 463 CA ILE A 62 2.109 17.333 13.724 1.00 8.58 C
ATOM 464 C ILE A 62 2.356 17.969 12.365 1.00 8.78 C
ATOM 465 O ILE A 62 2.552 17.268 11.373 1.00 8.90 O
ATOM 466 CB ILE A 62 3.473 16.992 14.368 1.00 9.58 C
ATOM 467 CG1 ILE A 62 4.232 15.991 13.496 1.00 9.52 C
ATOM 468 CG2 ILE A 62 3.258 16.436 15.774 1.00 10.19 C
ATOM 469 CD1 ILE A 62 5.652 15.736 13.962 1.00 10.31 C
ATOM 470 N SER A 63 2.320 19.298 12.326 1.00 7.42 N
ATOM 471 CA SER A 63 2.677 20.056 11.130 1.00 8.19 C
ATOM 472 C SER A 63 3.797 21.011 11.505 1.00 8.59 C
ATOM 473 O SER A 63 3.788 21.596 12.594 1.00 10.42 O
ATOM 474 CB SER A 63 1.476 20.847 10.608 1.00 8.62 C
ATOM 475 OG SER A 63 0.507 19.988 10.031 1.00 8.30 O
ATOM 476 N PHE A 64 4.766 21.164 10.614 1.00 7.31 N
ATOM 477 CA PHE A 64 5.980 21.880 10.961 1.00 8.13 C
ATOM 478 C PHE A 64 6.745 22.345 9.729 1.00 7.85 C
ATOM 479 O PHE A 64 6.537 21.849 8.618 1.00 7.48 O
ATOM 480 CB PHE A 64 6.878 20.982 11.816 1.00 6.38 C
ATOM 481 CG PHE A 64 7.265 19.695 11.136 1.00 7.64 C
ATOM 482 CD1 PHE A 64 6.491 18.553 11.287 1.00 7.62 C
ATOM 483 CD2 PHE A 64 8.388 19.634 10.327 1.00 7.59 C
ATOM 484 CE1 PHE A 64 6.832 17.374 10.642 1.00 5.59 C
ATOM 485 CE2 PHE A 64 8.735 18.456 9.678 1.00 6.66 C
ATOM 486 CZ PHE A 64 7.955 17.328 9.837 1.00 6.62 C
ATOM 487 N ILE A 65 7.633 23.309 9.937 1.00 8.10 N
ATOM 488 CA ILE A 65 8.551 23.737 8.896 1.00 8.31 C
ATOM 489 C ILE A 65 9.969 23.398 9.352 1.00 7.86 C
ATOM 490 O ILE A 65 10.340 23.658 10.494 1.00 7.48 O
ATOM 491 CB ILE A 65 8.421 25.256 8.641 1.00 8.16 C
ATOM 492 CG1 ILE A 65 7.015 25.577 8.123 1.00 7.29 C
ATOM 493 CG2 ILE A 65 9.468 25.712 7.640 1.00 6.37 C
ATOM 494 CD1 ILE A 65 6.707 27.060 8.066 1.00 9.11 C
ATOM 495 N LEU A 66 10.752 22.798 8.464 1.00 7.19 N
ATOM 496 CA LEU A 66 12.100 22.371 8.816 1.00 8.15 C
ATOM 497 C LEU A 66 12.877 23.525 9.438 1.00 8.71 C
ATOM 498 O LEU A 66 12.869 24.639 8.914 1.00 8.06 O
ATOM 499 CB LEU A 66 12.839 21.871 7.575 1.00 8.24 C
ATOM 500 CG LEU A 66 12.278 20.617 6.903 1.00 9.46 C
ATOM 501 CD1 LEU A 66 13.025 20.360 5.605 1.00 11.81 C
ATOM 502 CD2 LEU A 66 12.406 19.429 7.840 1.00 10.11 C
ATOM 503 N GLY A 67 13.540 23.251 10.557 1.00 8.51 N
ATOM 504 CA GLY A 67 14.385 24.250 11.189 1.00 8.40 C
ATOM 505 C GLY A 67 13.666 25.172 12.158 1.00 9.55 C
ATOM 506 O GLY A 67 14.299 25.986 12.835 1.00 9.97 O
ATOM 507 N GLN A 68 12.346 25.057 12.237 1.00 8.84 N
ATOM 508 CA GLN A 68 11.574 25.962 13.081 1.00 10.00 C
ATOM 509 C GLN A 68 10.922 25.210 14.235 1.00 9.92 C
ATOM 510 O GLN A 68 10.087 24.329 14.031 1.00 10.54 O
ATOM 511 CB GLN A 68 10.512 26.685 12.242 1.00 10.39 C
ATOM 512 CG GLN A 68 11.094 27.406 11.025 1.00 12.83 C
ATOM 513 CD GLN A 68 10.113 28.377 10.374 1.00 14.48 C
ATOM 514 OE1 GLN A 68 8.980 28.537 10.829 1.00 12.98 O
ATOM 515 NE2 GLN A 68 10.551 29.027 9.300 1.00 14.48 N
ATOM 516 N GLU A 69 11.307 25.571 15.451 1.00 10.45 N
ATOM 517 CA GLU A 69 10.859 24.865 16.644 1.00 10.98 C
ATOM 518 C GLU A 69 9.355 25.031 16.856 1.00 10.84 C
ATOM 519 O GLU A 69 8.782 26.070 16.527 1.00 9.38 O
ATOM 520 CB GLU A 69 11.629 25.384 17.859 1.00 11.01 C
ATOM 521 CG GLU A 69 11.258 24.743 19.184 1.00 14.97 C
ATOM 522 CD GLU A 69 12.050 25.335 20.331 1.00 18.53 C
ATOM 523 OE1 GLU A 69 11.762 26.488 20.714 1.00 19.74 O
ATOM 524 OE2 GLU A 69 12.965 24.653 20.842 1.00 19.80 O
ATOM 525 N PHE A 70 8.720 23.995 17.394 1.00 9.50 N
ATOM 526 CA PHE A 70 7.282 24.016 17.621 1.00 9.87 C
ATOM 527 C PHE A 70 6.911 23.272 18.901 1.00 10.45 C
ATOM 528 O PHE A 70 7.687 22.462 19.404 1.00 8.53 O
ATOM 529 CB PHE A 70 6.538 23.402 16.421 1.00 7.85 C
ATOM 530 CG PHE A 70 6.939 21.981 16.101 1.00 8.89 C
ATOM 531 CD1 PHE A 70 8.067 21.716 15.338 1.00 7.95 C
ATOM 532 CD2 PHE A 70 6.170 20.913 16.537 1.00 9.27 C
ATOM 533 CE1 PHE A 70 8.420 20.415 15.015 1.00 8.76 C
ATOM 534 CE2 PHE A 70 6.519 19.605 16.217 1.00 7.99 C
ATOM 535 CZ PHE A 70 7.647 19.360 15.454 1.00 9.46 C
ATOM 536 N ASP A 71 5.724 23.567 19.427 1.00 11.46 N
ATOM 537 CA ASP A 71 5.185 22.842 20.570 1.00 11.50 C
ATOM 538 C ASP A 71 4.583 21.545 20.061 1.00 10.62 C
ATOM 539 O ASP A 71 3.873 21.539 19.056 1.00 11.71 O
ATOM 540 CB ASP A 71 4.088 23.656 21.262 1.00 12.57 C
ATOM 541 CG ASP A 71 4.577 24.994 21.765 1.00 16.19 C
ATOM 542 OD1 ASP A 71 5.558 25.017 22.540 1.00 15.88 O
ATOM 543 OD2 ASP A 71 3.972 26.025 21.387 1.00 17.69 O
ATOM 544 N GLU A 72 4.865 20.448 20.753 1.00 10.18 N
ATOM 545 CA GLU A 72 4.332 19.149 20.365 1.00 10.65 C
ATOM 546 C GLU A 72 3.742 18.430 21.576 1.00 11.00 C
ATOM 547 O GLU A 72 4.391 18.310 22.610 1.00 11.46 O
ATOM 548 CB GLU A 72 5.442 18.290 19.739 1.00 8.43 C
ATOM 549 CG GLU A 72 4.959 16.963 19.155 1.00 9.58 C
ATOM 550 CD GLU A 72 6.095 16.098 18.622 1.00 8.52 C
ATOM 551 OE1 GLU A 72 7.268 16.495 18.768 1.00 10.76 O
ATOM 552 OE2 GLU A 72 5.818 15.020 18.055 1.00 8.51 O
ATOM 553 N VAL A 73 2.506 17.961 21.450 1.00 11.96 N
ATOM 554 CA VAL A 73 1.946 17.060 22.445 1.00 12.71 C
ATOM 555 C VAL A 73 2.053 15.640 21.905 1.00 12.12 C
ATOM 556 O VAL A 73 1.313 15.259 20.997 1.00 12.37 O
ATOM 557 CB VAL A 73 0.462 17.374 22.730 1.00 14.62 C
ATOM 558 CG1 VAL A 73 -0.060 16.444 23.815 1.00 14.89 C
ATOM 559 CG2 VAL A 73 0.303 18.826 23.147 1.00 14.70 C
ATOM 560 N THR A 74 2.978 14.864 22.461 1.00 11.37 N
ATOM 561 CA THR A 74 3.248 13.520 21.963 1.00 11.50 C
ATOM 562 C THR A 74 2.077 12.598 22.279 1.00 12.39 C
ATOM 563 O THR A 74 1.206 12.947 23.076 1.00 12.56 O
ATOM 564 CB THR A 74 4.543 12.941 22.586 1.00 9.77 C
ATOM 565 OG1 THR A 74 4.368 12.755 23.997 1.00 12.90 O
ATOM 566 CG2 THR A 74 5.706 13.890 22.358 1.00 8.54 C
ATOM 567 N ALA A 75 2.050 11.429 21.647 1.00 12.25 N
ATOM 568 CA ALA A 75 0.918 10.522 21.788 1.00 12.84 C
ATOM 569 C ALA A 75 0.806 9.998 23.217 1.00 13.17 C
ATOM 570 O ALA A 75 -0.277 9.611 23.659 1.00 12.77 O
ATOM 571 CB ALA A 75 1.048 9.360 20.809 1.00 12.64 C
ATOM 572 N ASP A 76 1.927 9.990 23.936 1.00 11.93 N
ATOM 573 CA ASP A 76 1.927 9.601 25.339 1.00 13.22 C
ATOM 574 C ASP A 76 1.751 10.800 26.270 1.00 13.95 C
ATOM 575 O ASP A 76 1.899 10.677 27.483 1.00 14.60 O
ATOM 576 CB ASP A 76 3.218 8.844 25.687 1.00 12.45 C
ATOM 577 CG ASP A 76 4.468 9.683 25.486 1.00 12.48 C
ATOM 578 OD1 ASP A 76 4.694 10.157 24.352 1.00 10.92 O
ATOM 579 OD2 ASP A 76 5.228 9.861 26.465 1.00 10.67 O
ATOM 580 N ASP A 77 1.436 11.957 25.690 1.00 15.65 N
ATOM 581 CA ASP A 77 0.989 13.130 26.446 1.00 17.51 C
ATOM 582 C ASP A 77 2.116 13.927 27.102 1.00 17.31 C
ATOM 583 O ASP A 77 1.906 14.589 28.118 1.00 16.51 O
ATOM 584 CB ASP A 77 -0.029 12.715 27.516 1.00 19.84 C
ATOM 585 CG ASP A 77 -1.050 13.797 27.807 1.00 22.57 C
ATOM 586 OD1 ASP A 77 -1.227 14.706 26.966 1.00 23.80 O
ATOM 587 OD2 ASP A 77 -1.683 13.738 28.885 1.00 25.17 O
ATOM 588 N ARG A 78 3.315 13.864 26.531 1.00 16.08 N
ATOM 589 CA ARG A 78 4.372 14.794 26.916 1.00 15.17 C
ATOM 590 C ARG A 78 4.197 16.087 26.127 1.00 14.71 C
ATOM 591 O ARG A 78 3.895 16.054 24.934 1.00 15.13 O
ATOM 592 CB ARG A 78 5.751 14.198 26.612 1.00 14.42 C
ATOM 593 CG ARG A 78 6.191 13.100 27.563 1.00 13.48 C
ATOM 594 CD ARG A 78 7.438 12.392 27.043 1.00 12.67 C
ATOM 595 NE ARG A 78 7.132 11.605 25.852 1.00 11.90 N
ATOM 596 CZ ARG A 78 7.807 11.673 24.710 1.00 11.24 C
ATOM 597 NH1 ARG A 78 8.843 12.493 24.594 1.00 11.69 N
ATOM 598 NH2 ARG A 78 7.431 10.932 23.676 1.00 9.09 N
ATOM 599 N LYS A 79 4.373 17.225 26.791 1.00 13.74 N
ATOM 600 CA LYS A 79 4.447 18.495 26.080 1.00 14.03 C
ATOM 601 C LYS A 79 5.915 18.865 25.913 1.00 13.35 C
ATOM 602 O LYS A 79 6.619 19.148 26.886 1.00 11.97 O
ATOM 603 CB LYS A 79 3.703 19.586 26.854 1.00 14.52 C
ATOM 604 CG LYS A 79 4.113 19.703 28.297 1.00 16.88 C
ATOM 605 N VAL A 80 6.380 18.846 24.670 1.00 11.30 N
ATOM 606 CA VAL A 80 7.803 18.983 24.411 1.00 11.50 C
ATOM 607 C VAL A 80 8.059 20.137 23.443 1.00 10.84 C
ATOM 608 O VAL A 80 7.148 20.600 22.759 1.00 11.09 O
ATOM 609 CB VAL A 80 8.379 17.683 23.805 1.00 9.63 C
ATOM 610 CG1 VAL A 80 7.994 16.493 24.677 1.00 8.92 C
ATOM 611 CG2 VAL A 80 7.866 17.494 22.383 1.00 9.37 C
ATOM 612 N LYS A 81 9.300 20.603 23.404 1.00 11.08 N
ATOM 613 CA LYS A 81 9.715 21.556 22.386 1.00 12.12 C
ATOM 614 C LYS A 81 10.486 20.816 21.301 1.00 10.72 C
ATOM 615 O LYS A 81 11.533 20.228 21.569 1.00 8.77 O
ATOM 616 CB LYS A 81 10.601 22.641 23.004 1.00 14.47 C
ATOM 617 CG LYS A 81 9.852 23.648 23.862 1.00 15.88 C
ATOM 618 CD LYS A 81 9.526 24.906 23.074 1.00 18.94 C
ATOM 619 CE LYS A 81 9.202 26.053 24.006 1.00 20.71 C
ATOM 620 NZ LYS A 81 8.115 25.689 24.951 1.00 20.91 N
ATOM 621 N SER A 82 9.971 20.860 20.074 1.00 10.23 N
ATOM 622 CA SER A 82 10.502 20.029 19.002 1.00 9.54 C
ATOM 623 C SER A 82 10.995 20.819 17.805 1.00 9.05 C
ATOM 624 O SER A 82 10.402 21.831 17.413 1.00 9.10 O
ATOM 625 CB SER A 82 9.443 19.024 18.541 1.00 8.88 C
ATOM 626 OG SER A 82 9.120 18.129 19.587 1.00 9.60 O
ATOM 627 N THR A 83 12.088 20.341 17.226 1.00 9.06 N
ATOM 628 CA THR A 83 12.596 20.882 15.970 1.00 8.68 C
ATOM 629 C THR A 83 12.889 19.725 15.033 1.00 8.14 C
ATOM 630 O THR A 83 13.527 18.748 15.426 1.00 7.19 O
ATOM 631 CB THR A 83 13.900 21.659 16.178 1.00 8.90 C
ATOM 632 OG1 THR A 83 13.724 22.599 17.243 1.00 8.88 O
ATOM 633 CG2 THR A 83 14.279 22.407 14.901 1.00 8.85 C
ATOM 634 N ILE A 84 12.418 19.834 13.797 1.00 6.44 N
ATOM 635 CA ILE A 84 12.687 18.808 12.807 1.00 6.82 C
ATOM 636 C ILE A 84 13.453 19.408 11.642 1.00 8.26 C
ATOM 637 O ILE A 84 13.083 20.455 11.105 1.00 7.09 O
ATOM 638 CB ILE A 84 11.380 18.169 12.295 1.00 6.87 C
ATOM 639 CG1 ILE A 84 10.633 17.527 13.470 1.00 6.53 C
ATOM 640 CG2 ILE A 84 11.690 17.120 11.239 1.00 7.24 C
ATOM 641 CD1 ILE A 84 9.277 16.954 13.121 1.00 6.32 C
ATOM 642 N THR A 85 14.540 18.746 11.271 1.00 7.40 N
ATOM 643 CA THR A 85 15.377 19.222 10.187 1.00 9.19 C
ATOM 644 C THR A 85 15.675 18.071 9.243 1.00 10.23 C
ATOM 645 O THR A 85 15.400 16.909 9.548 1.00 9.42 O
ATOM 646 CB THR A 85 16.712 19.809 10.714 1.00 9.41 C
ATOM 647 OG1 THR A 85 17.374 18.840 11.536 1.00 9.12 O
ATOM 648 CG2 THR A 85 16.459 21.072 11.526 1.00 12.78 C
ATOM 649 N LEU A 86 16.228 18.398 8.086 1.00 11.60 N
ATOM 650 CA LEU A 86 16.609 17.382 7.126 1.00 13.21 C
ATOM 651 C LEU A 86 18.131 17.379 7.049 1.00 14.31 C
ATOM 652 O LEU A 86 18.738 18.414 6.792 1.00 16.76 O
ATOM 653 CB LEU A 86 15.993 17.717 5.769 1.00 13.33 C
ATOM 654 CG LEU A 86 15.876 16.662 4.670 1.00 16.57 C
ATOM 655 CD1 LEU A 86 15.202 15.398 5.188 1.00 14.22 C