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1j4n.pdb
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1j4n.pdb
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HEADER MEMBRANE PROTEIN 19-OCT-01 1J4N
TITLE CRYSTAL STRUCTURE OF THE AQP1 WATER CHANNEL
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AQUAPORIN 1;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: AQP1, AQUAPORIN-CHIP, WATER CHANNEL PROTEIN FOR
COMPND 5 RED BLOOD CELLS AND KIDNEY PROXIMAL TUBULE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: BOVINE;
SOURCE 4 TISSUE: BLOOD
KEYWDS MEMBRANE PROTEIN, CHANNEL PROTEIN, TRANSMEMBRANE HELICES
EXPDTA X-RAY DIFFRACTION
AUTHOR H.SUI,B.-G.HAN,J.K.LEE,P.WALIAN,B.K.JAP
REVDAT 1 27-MAR-02 1J4N 0
JRNL AUTH H.SUI,B.-G.HAN,J.K.LEE,P.WALIAN,B.K.JAP
JRNL TITL STRUCTURAL BASIS OF WATER-SPECIFIC TRANSPORT
JRNL TITL 2 THROUGH THE AQP1 WATER CHANNEL
JRNL REF NATURE V. 414 872 2001
JRNL REFN ASTM NATUAS UK ISSN 0028-0836
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.20 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 0.5
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 : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000
REMARK 3 OUTLIER CUTOFF HIGH (RMS(ABS(F))) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.2
REMARK 3 NUMBER OF REFLECTIONS : 18169
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) : 0.266
REMARK 3 FREE R VALUE : 0.308
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.800
REMARK 3 FREE R VALUE TEST SET COUNT : 1235
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 72.30
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2288
REMARK 3 BIN R VALUE (WORKING SET) : 0.3600
REMARK 3 BIN FREE R VALUE : 0.3930
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 6.50
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 160
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.031
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1852
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 63
REMARK 3 SOLVENT ATOMS : 114
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 42.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.20
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -2.98000
REMARK 3 B22 (A**2) : -2.98000
REMARK 3 B33 (A**2) : 5.96000
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) : 0.36
REMARK 3 ESD FROM SIGMAA (A) : 0.39
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) : 0.45
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.48
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.006
REMARK 3 BOND ANGLES (DEGREES) : 1.25
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.40
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.94
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.32
REMARK 3 BSOL : 95.77
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 : BNG.PARA
REMARK 3 PARAMETER FILE 4 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 4 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1J4N COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-OCT-2001.
REMARK 100 THE RCSB ID CODE IS RCSB001607.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 110.0
REMARK 200 PH : 7.50
REMARK 200 NUMBER OF CRYSTALS USED : 2
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y; Y
REMARK 200 RADIATION SOURCE : ALS ; NSLS
REMARK 200 BEAMLINE : 5.0.2; X25
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0367
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19626
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200
REMARK 200 RESOLUTION RANGE LOW (A) : 15.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 95.2
REMARK 200 DATA REDUNDANCY : 15.800
REMARK 200 R MERGE (I) : 0.06200
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 41.8000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.34
REMARK 200 COMPLETENESS FOR SHELL (%) : 94.6
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.58000
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: NULL
REMARK 200 SOFTWARE USED: SOLVE
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: DATA COLLECTED AT ALS WAS USED FOR FINAL DATA
REMARK 200 PROCESSING. DATA COLLECTED AT NSLS WAS USED FOR INITIAL DATA
REMARK 200 PROCESSING.
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): NULL
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG, MONOMETHYL ETHER 550, TRIS-
REMARK 280 HCL, NG
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 -Y,X,Z
REMARK 290 4555 Y,-X,Z
REMARK 290 5555 -X,Y,-Z
REMARK 290 6555 X,-Y,-Z
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,-Z
REMARK 290 9555 1/2+X,1/2+Y,1/2+Z
REMARK 290 10555 1/2-X,1/2-Y,1/2+Z
REMARK 290 11555 1/2-Y,1/2+X,1/2+Z
REMARK 290 12555 1/2+Y,1/2-X,1/2+Z
REMARK 290 13555 1/2-X,1/2+Y,1/2-Z
REMARK 290 14555 1/2+X,1/2-Y,1/2-Z
REMARK 290 15555 1/2+Y,1/2+X,1/2-Z
REMARK 290 16555 1/2-Y,1/2-X,1/2-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 46.66550
REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 90.24500
REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 46.66550
REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 90.24500
REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 46.66550
REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 90.24500
REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 46.66550
REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 90.24500
REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 46.66550
REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 90.24500
REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 46.66550
REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 90.24500
REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 46.66550
REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 90.24500
REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 46.66550
REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 46.66550
REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 90.24500
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
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 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 93.33100
REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 93.33100
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 93.33100
REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 93.33100
REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 GLY A 250
REMARK 465 GLN A 251
REMARK 465 VAL A 252
REMARK 465 GLU A 253
REMARK 465 GLU A 254
REMARK 465 TYR A 255
REMARK 465 ASP A 256
REMARK 465 LEU A 257
REMARK 465 ASP A 258
REMARK 465 ALA A 259
REMARK 465 ASP A 260
REMARK 465 ASP A 261
REMARK 465 ILE A 262
REMARK 465 ASN A 263
REMARK 465 SER A 264
REMARK 465 ARG A 265
REMARK 465 VAL A 266
REMARK 465 GLU A 267
REMARK 465 MET A 268
REMARK 465 LYS A 269
REMARK 465 PRO A 270
REMARK 465 LYS A 271
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 MET A 21 CE MET A 21 SD -0.041
REMARK 500 VAL A 155 CG2 VAL A 155 CB -0.041
REMARK 500 ALA A 179 CB ALA A 179 CA 0.047
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 LYS A 6 N - CA - C ANGL. DEV. = -7.9 DEGREES
REMARK 500 TYR A 37 N - CA - C ANGL. DEV. = 10.9 DEGREES
REMARK 500 PRO A 38 N - CA - C ANGL. DEV. = -9.5 DEGREES
REMARK 500 LEU A 184 CA - CB - CG ANGL. DEV. = 9.0 DEGREES
REMARK 500 ALA A 185 N - CA - C ANGL. DEV. = 10.7 DEGREES
REMARK 500 ARG A 236 N - CA - C ANGL. DEV. = -8.0 DEGREES
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 M RES CSSEQI PSI PHI
REMARK 500 ARG A 161 -31.90 81.38
REMARK 525
REMARK 525 SOLVENT
REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED
REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE
REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL
REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH 313 DISTANCE = 6.76 ANGSTROMS
REMARK 525 HOH 333 DISTANCE = 5.51 ANGSTROMS
REMARK 525 HOH 334 DISTANCE = 6.13 ANGSTROMS
REMARK 525 HOH 340 DISTANCE = 7.00 ANGSTROMS
REMARK 525 HOH 347 DISTANCE = 5.05 ANGSTROMS
REMARK 525 HOH 360 DISTANCE = 6.98 ANGSTROMS
REMARK 525 HOH 362 DISTANCE = 5.18 ANGSTROMS
REMARK 525 HOH 363 DISTANCE = 6.47 ANGSTROMS
REMARK 525 HOH 365 DISTANCE = 5.53 ANGSTROMS
REMARK 525 HOH 366 DISTANCE = 7.34 ANGSTROMS
REMARK 525 HOH 374 DISTANCE = 7.17 ANGSTROMS
REMARK 525 HOH 380 DISTANCE = 5.93 ANGSTROMS
REMARK 525 HOH 402 DISTANCE = 5.89 ANGSTROMS
REMARK 525 HOH 403 DISTANCE = 5.47 ANGSTROMS
REMARK 525 HOH 409 DISTANCE = 5.57 ANGSTROMS
REMARK 525 HOH 412 DISTANCE = 5.36 ANGSTROMS
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FQY RELATED DB: PDB
REMARK 900 AQUAPORIN-1 (1FQY) IS A SIMILAR PROTEIN SOLVED BY EM.
DBREF 1J4N A 1 271 SWS P47865 AQP1_BOVIN 1 271
SEQRES 1 A 271 MET ALA SER GLU PHE LYS LYS LYS LEU PHE TRP ARG ALA
SEQRES 2 A 271 VAL VAL ALA GLU PHE LEU ALA MET ILE LEU PHE ILE PHE
SEQRES 3 A 271 ILE SER ILE GLY SER ALA LEU GLY PHE HIS TYR PRO ILE
SEQRES 4 A 271 LYS SER ASN GLN THR THR GLY ALA VAL GLN ASP ASN VAL
SEQRES 5 A 271 LYS VAL SER LEU ALA PHE GLY LEU SER ILE ALA THR LEU
SEQRES 6 A 271 ALA GLN SER VAL GLY HIS ILE SER GLY ALA HIS LEU ASN
SEQRES 7 A 271 PRO ALA VAL THR LEU GLY LEU LEU LEU SER CYS GLN ILE
SEQRES 8 A 271 SER VAL LEU ARG ALA ILE MET TYR ILE ILE ALA GLN CYS
SEQRES 9 A 271 VAL GLY ALA ILE VAL ALA THR ALA ILE LEU SER GLY ILE
SEQRES 10 A 271 THR SER SER LEU PRO ASP ASN SER LEU GLY LEU ASN ALA
SEQRES 11 A 271 LEU ALA PRO GLY VAL ASN SER GLY GLN GLY LEU GLY ILE
SEQRES 12 A 271 GLU ILE ILE GLY THR LEU GLN LEU VAL LEU CYS VAL LEU
SEQRES 13 A 271 ALA THR THR ASP ARG ARG ARG ARG ASP LEU GLY GLY SER
SEQRES 14 A 271 GLY PRO LEU ALA ILE GLY PHE SER VAL ALA LEU GLY HIS
SEQRES 15 A 271 LEU LEU ALA ILE ASP TYR THR GLY CYS GLY ILE ASN PRO
SEQRES 16 A 271 ALA ARG SER PHE GLY SER SER VAL ILE THR HIS ASN PHE
SEQRES 17 A 271 GLN ASP HIS TRP ILE PHE TRP VAL GLY PRO PHE ILE GLY
SEQRES 18 A 271 ALA ALA LEU ALA VAL LEU ILE TYR ASP PHE ILE LEU ALA
SEQRES 19 A 271 PRO ARG SER SER ASP LEU THR ASP ARG VAL LYS VAL TRP
SEQRES 20 A 271 THR SER GLY GLN VAL GLU GLU TYR ASP LEU ASP ALA ASP
SEQRES 21 A 271 ASP ILE ASN SER ARG VAL GLU MET LYS PRO LYS
HET BNG 801 21
HET BNG 802 21
HET BNG 803 21
HETNAM BNG B-NONYLGLUCOSIDE
FORMUL 2 BNG 3(C15 H30 O6)
FORMUL 5 HOH *114(H2 O1)
HELIX 1 1 PHE A 5 GLY A 34 1 30
HELIX 2 2 PHE A 35 TYR A 37 5 3
HELIX 3 3 ASP A 50 GLY A 74 1 25
HELIX 4 4 ASN A 78 SER A 88 1 11
HELIX 5 5 SER A 92 THR A 118 1 27
HELIX 6 6 GLY A 138 GLY A 140 5 3
HELIX 7 7 LEU A 141 THR A 159 1 19
HELIX 8 8 SER A 169 GLY A 190 1 22
HELIX 9 9 ASN A 194 THR A 205 1 12
HELIX 10 10 TRP A 212 PHE A 231 1 20
HELIX 11 11 ASP A 239 LYS A 245 1 7
HELIX 12 12 VAL A 246 THR A 248 5 3
CRYST1 93.331 93.331 180.490 90.00 90.00 90.00 I 4 2 2 16
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 0.010715 0.000000 0.000000 0.00000
SCALE2 0.000000 0.010715 0.000000 0.00000
SCALE3 0.000000 0.000000 0.005540 0.00000
ATOM 1 N MET A 1 29.362 19.955 2.725 1.00166.14 N
ATOM 2 CA MET A 1 30.243 18.931 2.093 1.00164.58 C
ATOM 3 C MET A 1 30.833 17.996 3.139 1.00165.28 C
ATOM 4 O MET A 1 31.299 18.438 4.190 1.00164.45 O
ATOM 5 CB MET A 1 31.374 19.616 1.320 1.00164.27 C
ATOM 6 CG MET A 1 32.313 18.657 0.605 1.00161.77 C
ATOM 7 SD MET A 1 33.547 19.511 -0.394 1.00159.96 S
ATOM 8 CE MET A 1 34.990 19.387 0.642 1.00157.15 C
ATOM 9 N ALA A 2 30.809 16.701 2.843 1.00161.04 N
ATOM 10 CA ALA A 2 31.344 15.696 3.752 1.00155.49 C
ATOM 11 C ALA A 2 32.192 14.691 2.978 1.00148.64 C
ATOM 12 O ALA A 2 31.927 13.488 3.001 1.00152.43 O
ATOM 13 CB ALA A 2 30.204 14.980 4.473 1.00159.82 C
ATOM 14 N SER A 3 33.215 15.194 2.295 1.00145.04 N
ATOM 15 CA SER A 3 34.098 14.343 1.510 1.00138.33 C
ATOM 16 C SER A 3 35.567 14.701 1.715 1.00134.54 C
ATOM 17 O SER A 3 35.891 15.705 2.344 1.00132.88 O
ATOM 18 CB SER A 3 33.743 14.448 0.024 1.00135.60 C
ATOM 19 OG SER A 3 33.842 15.786 -0.428 1.00139.59 O
ATOM 20 N GLU A 4 36.448 13.868 1.169 1.00126.06 N
ATOM 21 CA GLU A 4 37.892 14.063 1.280 1.00119.87 C
ATOM 22 C GLU A 4 38.337 14.550 2.658 1.00114.60 C
ATOM 23 O GLU A 4 37.826 14.086 3.678 1.00112.95 O
ATOM 24 CB GLU A 4 38.387 15.018 0.190 1.00120.24 C
ATOM 25 CG GLU A 4 38.323 14.415 -1.209 1.00118.30 C
ATOM 26 CD GLU A 4 39.126 15.196 -2.232 1.00118.07 C
ATOM 27 OE1 GLU A 4 40.343 15.392 -2.017 1.00119.37 O
ATOM 28 OE2 GLU A 4 38.545 15.605 -3.259 1.00118.24 O
ATOM 29 N PHE A 5 39.293 15.474 2.691 1.00113.42 N
ATOM 30 CA PHE A 5 39.794 15.980 3.960 1.00110.17 C
ATOM 31 C PHE A 5 38.883 17.008 4.619 1.00110.26 C
ATOM 32 O PHE A 5 39.274 17.659 5.591 1.00106.75 O
ATOM 33 CB PHE A 5 41.198 16.565 3.788 1.00107.35 C
ATOM 34 CG PHE A 5 41.272 17.698 2.815 1.00109.02 C
ATOM 35 CD1 PHE A 5 40.609 18.896 3.062 1.00113.26 C
ATOM 36 CD2 PHE A 5 42.015 17.572 1.650 1.00108.68 C
ATOM 37 CE1 PHE A 5 40.684 19.955 2.166 1.00108.47 C
ATOM 38 CE2 PHE A 5 42.098 18.621 0.747 1.00112.02 C
ATOM 39 CZ PHE A 5 41.431 19.817 1.005 1.00113.55 C
ATOM 40 N LYS A 6 37.672 17.164 4.090 1.00106.97 N
ATOM 41 CA LYS A 6 36.716 18.098 4.677 1.00101.58 C
ATOM 42 C LYS A 6 36.415 17.483 6.038 1.00 94.65 C
ATOM 43 O LYS A 6 35.825 18.111 6.914 1.00101.10 O
ATOM 44 CB LYS A 6 35.442 18.176 3.830 1.00108.62 C
ATOM 45 CG LYS A 6 34.703 19.508 3.922 1.00111.87 C
ATOM 46 CD LYS A 6 34.147 19.773 5.311 1.00121.47 C
ATOM 47 CE LYS A 6 33.539 21.168 5.410 1.00124.39 C
ATOM 48 NZ LYS A 6 32.430 21.386 4.436 1.00126.23 N
ATOM 49 N LYS A 7 36.829 16.229 6.188 1.00 85.85 N
ATOM 50 CA LYS A 7 36.669 15.493 7.429 1.00 74.88 C
ATOM 51 C LYS A 7 37.808 15.975 8.309 1.00 61.96 C
ATOM 52 O LYS A 7 37.590 16.433 9.427 1.00 56.92 O
ATOM 53 CB LYS A 7 36.809 13.990 7.179 1.00 84.71 C
ATOM 54 CG LYS A 7 35.573 13.175 7.527 1.00103.26 C
ATOM 55 CD LYS A 7 34.387 13.539 6.645 1.00115.20 C
ATOM 56 CE LYS A 7 33.176 12.676 6.974 1.00123.05 C
ATOM 57 NZ LYS A 7 32.007 12.966 6.097 1.00132.07 N
ATOM 58 N LYS A 8 39.022 15.878 7.773 1.00 61.29 N
ATOM 59 CA LYS A 8 40.237 16.303 8.459 1.00 62.76 C
ATOM 60 C LYS A 8 40.091 17.687 9.081 1.00 64.85 C
ATOM 61 O LYS A 8 40.051 17.821 10.302 1.00 68.48 O
ATOM 62 CB LYS A 8 41.408 16.315 7.477 1.00 68.93 C
ATOM 63 CG LYS A 8 42.283 15.082 7.514 1.00 78.83 C
ATOM 64 CD LYS A 8 43.278 15.156 8.661 1.00 84.36 C
ATOM 65 CE LYS A 8 44.294 14.022 8.592 1.00 83.72 C
ATOM 66 NZ LYS A 8 45.341 14.137 9.651 1.00 88.99 N
ATOM 67 N LEU A 9 40.020 18.714 8.237 1.00 63.39 N
ATOM 68 CA LEU A 9 39.885 20.089 8.711 1.00 55.39 C
ATOM 69 C LEU A 9 38.934 20.179 9.891 1.00 45.33 C
ATOM 70 O LEU A 9 39.261 20.780 10.912 1.00 53.05 O
ATOM 71 CB LEU A 9 39.392 21.004 7.587 1.00 58.75 C
ATOM 72 CG LEU A 9 40.450 21.584 6.641 1.00 64.39 C
ATOM 73 CD1 LEU A 9 41.234 20.466 5.960 1.00 62.88 C
ATOM 74 CD2 LEU A 9 39.761 22.468 5.611 1.00 68.78 C
ATOM 75 N PHE A 10 37.760 19.575 9.743 1.00 42.17 N
ATOM 76 CA PHE A 10 36.749 19.574 10.796 1.00 44.81 C
ATOM 77 C PHE A 10 37.315 19.054 12.116 1.00 49.28 C
ATOM 78 O PHE A 10 37.366 19.775 13.110 1.00 48.24 O
ATOM 79 CB PHE A 10 35.552 18.725 10.362 1.00 38.82 C
ATOM 80 CG PHE A 10 34.484 18.589 11.409 1.00 39.72 C
ATOM 81 CD1 PHE A 10 34.635 17.703 12.471 1.00 39.89 C
ATOM 82 CD2 PHE A 10 33.310 19.330 11.319 1.00 43.66 C
ATOM 83 CE1 PHE A 10 33.634 17.554 13.425 1.00 39.72 C
ATOM 84 CE2 PHE A 10 32.299 19.190 12.269 1.00 45.46 C
ATOM 85 CZ PHE A 10 32.462 18.300 13.322 1.00 39.78 C
ATOM 86 N TRP A 11 37.746 17.802 12.126 1.00 50.58 N
ATOM 87 CA TRP A 11 38.300 17.225 13.339 1.00 52.36 C
ATOM 88 C TRP A 11 39.466 18.033 13.891 1.00 46.96 C
ATOM 89 O TRP A 11 39.622 18.150 15.110 1.00 56.31 O
ATOM 90 CB TRP A 11 38.716 15.771 13.091 1.00 55.28 C
ATOM 91 CG TRP A 11 37.533 14.896 12.852 1.00 63.12 C
ATOM 92 CD1 TRP A 11 37.295 14.121 11.760 1.00 57.11 C
ATOM 93 CD2 TRP A 11 36.381 14.771 13.695 1.00 63.37 C
ATOM 94 NE1 TRP A 11 36.061 13.524 11.862 1.00 69.52 N
ATOM 95 CE2 TRP A 11 35.476 13.906 13.040 1.00 65.02 C
ATOM 96 CE3 TRP A 11 36.021 15.306 14.938 1.00 67.99 C
ATOM 97 CZ2 TRP A 11 34.232 13.564 13.585 1.00 67.83 C
ATOM 98 CZ3 TRP A 11 34.785 14.967 15.481 1.00 74.53 C
ATOM 99 CH2 TRP A 11 33.905 14.105 14.803 1.00 73.17 C
ATOM 100 N ARG A 12 40.278 18.599 13.005 1.00 42.77 N
ATOM 101 CA ARG A 12 41.418 19.401 13.440 1.00 35.03 C
ATOM 102 C ARG A 12 40.910 20.587 14.244 1.00 31.27 C
ATOM 103 O ARG A 12 41.547 21.024 15.206 1.00 23.66 O
ATOM 104 CB ARG A 12 42.214 19.887 12.233 1.00 45.19 C
ATOM 105 CG ARG A 12 43.093 18.820 11.617 1.00 57.21 C
ATOM 106 CD ARG A 12 43.793 19.335 10.376 1.00 74.81 C
ATOM 107 NE ARG A 12 44.866 18.441 9.950 1.00 80.99 N
ATOM 108 CZ ARG A 12 45.611 18.632 8.868 1.00 88.61 C
ATOM 109 NH1 ARG A 12 45.401 19.686 8.092 1.00 92.50 N
ATOM 110 NH2 ARG A 12 46.571 17.772 8.564 1.00 91.57 N
ATOM 111 N ALA A 13 39.754 21.106 13.844 1.00 20.99 N
ATOM 112 CA ALA A 13 39.154 22.218 14.551 1.00 35.19 C
ATOM 113 C ALA A 13 38.772 21.704 15.938 1.00 41.92 C
ATOM 114 O ALA A 13 39.372 22.109 16.943 1.00 40.61 O
ATOM 115 CB ALA A 13 37.920 22.715 13.796 1.00 38.07 C
ATOM 116 N VAL A 14 37.791 20.798 15.984 1.00 38.40 N
ATOM 117 CA VAL A 14 37.338 20.207 17.244 1.00 29.92 C
ATOM 118 C VAL A 14 38.524 19.951 18.174 1.00 28.06 C
ATOM 119 O VAL A 14 38.507 20.334 19.340 1.00 30.72 O
ATOM 120 CB VAL A 14 36.605 18.846 17.022 1.00 21.67 C
ATOM 121 CG1 VAL A 14 36.204 18.256 18.367 1.00 16.11 C
ATOM 122 CG2 VAL A 14 35.371 19.036 16.150 1.00 18.81 C
ATOM 123 N VAL A 15 39.551 19.294 17.645 1.00 19.43 N
ATOM 124 CA VAL A 15 40.743 18.993 18.421 1.00 24.17 C
ATOM 125 C VAL A 15 41.483 20.252 18.877 1.00 34.08 C
ATOM 126 O VAL A 15 41.902 20.341 20.036 1.00 38.68 O
ATOM 127 CB VAL A 15 41.710 18.111 17.606 1.00 28.74 C
ATOM 128 CG1 VAL A 15 43.009 17.889 18.380 1.00 24.42 C
ATOM 129 CG2 VAL A 15 41.040 16.781 17.299 1.00 41.58 C
ATOM 130 N ALA A 16 41.668 21.213 17.972 1.00 35.24 N
ATOM 131 CA ALA A 16 42.355 22.459 18.333 1.00 39.09 C
ATOM 132 C ALA A 16 41.501 23.182 19.367 1.00 32.11 C
ATOM 133 O ALA A 16 42.008 23.820 20.289 1.00 38.34 O
ATOM 134 CB ALA A 16 42.543 23.344 17.107 1.00 37.39 C
ATOM 135 N GLU A 17 40.192 23.073 19.195 1.00 24.94 N
ATOM 136 CA GLU A 17 39.252 23.691 20.104 1.00 12.39 C
ATOM 137 C GLU A 17 39.319 22.997 21.450 1.00 31.47 C
ATOM 138 O GLU A 17 39.025 23.600 22.485 1.00 33.66 O
ATOM 139 CB GLU A 17 37.844 23.563 19.557 1.00 17.02 C
ATOM 140 CG GLU A 17 36.809 24.241 20.402 1.00 29.21 C
ATOM 141 CD GLU A 17 36.757 25.729 20.152 1.00 35.73 C
ATOM 142 OE1 GLU A 17 35.876 26.387 20.730 1.00 40.71 O
ATOM 143 OE2 GLU A 17 37.586 26.241 19.371 1.00 39.80 O
ATOM 144 N PHE A 18 39.696 21.720 21.429 1.00 39.70 N
ATOM 145 CA PHE A 18 39.796 20.938 22.652 1.00 34.00 C
ATOM 146 C PHE A 18 41.114 21.211 23.349 1.00 33.43 C
ATOM 147 O PHE A 18 41.149 21.427 24.557 1.00 38.11 O
ATOM 148 CB PHE A 18 39.646 19.440 22.343 1.00 47.57 C
ATOM 149 CG PHE A 18 40.056 18.531 23.481 1.00 46.94 C
ATOM 150 CD1 PHE A 18 41.304 17.909 23.478 1.00 45.45 C
ATOM 151 CD2 PHE A 18 39.205 18.316 24.563 1.00 36.65 C
ATOM 152 CE1 PHE A 18 41.701 17.086 24.538 1.00 56.19 C
ATOM 153 CE2 PHE A 18 39.589 17.498 25.626 1.00 47.84 C
ATOM 154 CZ PHE A 18 40.841 16.881 25.614 1.00 57.14 C
ATOM 155 N LEU A 19 42.205 21.211 22.595 1.00 26.24 N
ATOM 156 CA LEU A 19 43.501 21.472 23.203 1.00 25.93 C
ATOM 157 C LEU A 19 43.590 22.914 23.727 1.00 43.11 C
ATOM 158 O LEU A 19 44.080 23.158 24.833 1.00 39.08 O
ATOM 159 CB LEU A 19 44.615 21.207 22.192 1.00 25.00 C
ATOM 160 CG LEU A 19 44.886 19.744 21.829 1.00 34.02 C
ATOM 161 CD1 LEU A 19 46.073 19.657 20.879 1.00 31.16 C
ATOM 162 CD2 LEU A 19 45.177 18.943 23.102 1.00 35.27 C
ATOM 163 N ALA A 20 43.107 23.866 22.935 1.00 38.51 N
ATOM 164 CA ALA A 20 43.147 25.264 23.326 1.00 39.45 C
ATOM 165 C ALA A 20 42.383 25.528 24.621 1.00 32.76 C
ATOM 166 O ALA A 20 42.775 26.398 25.402 1.00 36.27 O
ATOM 167 CB ALA A 20 42.595 26.137 22.203 1.00 44.74 C
ATOM 168 N MET A 21 41.289 24.802 24.852 1.00 22.28 N
ATOM 169 CA MET A 21 40.522 25.002 26.079 1.00 30.73 C
ATOM 170 C MET A 21 41.340 24.551 27.273 1.00 32.91 C
ATOM 171 O MET A 21 41.222 25.100 28.364 1.00 40.71 O
ATOM 172 CB MET A 21 39.208 24.223 26.047 1.00 35.53 C
ATOM 173 CG MET A 21 38.015 24.993 25.486 1.00 42.40 C
ATOM 174 SD MET A 21 37.090 26.005 26.675 1.00 38.81 S
ATOM 175 CE MET A 21 37.771 25.439 28.185 1.00 36.19 C
ATOM 176 N ILE A 22 42.184 23.551 27.070 1.00 33.55 N
ATOM 177 CA ILE A 22 42.992 23.065 28.168 1.00 34.69 C
ATOM 178 C ILE A 22 43.928 24.171 28.635 1.00 24.37 C
ATOM 179 O ILE A 22 43.985 24.479 29.820 1.00 41.23 O
ATOM 180 CB ILE A 22 43.784 21.797 27.757 1.00 36.17 C
ATOM 181 CG1 ILE A 22 42.803 20.628 27.561 1.00 44.95 C
ATOM 182 CG2 ILE A 22 44.837 21.460 28.813 1.00 30.70 C
ATOM 183 CD1 ILE A 22 43.438 19.318 27.079 1.00 25.67 C
ATOM 184 N LEU A 23 44.658 24.774 27.706 1.00 27.06 N
ATOM 185 CA LEU A 23 45.582 25.851 28.056 1.00 30.10 C
ATOM 186 C LEU A 23 44.813 26.997 28.704 1.00 29.30 C
ATOM 187 O LEU A 23 45.223 27.556 29.722 1.00 29.54 O
ATOM 188 CB LEU A 23 46.276 26.360 26.802 1.00 27.77 C
ATOM 189 CG LEU A 23 47.072 25.297 26.066 1.00 22.73 C
ATOM 190 CD1 LEU A 23 47.359 25.758 24.655 1.00 20.38 C
ATOM 191 CD2 LEU A 23 48.333 25.001 26.832 1.00 19.20 C
ATOM 192 N PHE A 24 43.681 27.332 28.103 1.00 21.65 N
ATOM 193 CA PHE A 24 42.857 28.411 28.609 1.00 23.90 C
ATOM 194 C PHE A 24 42.592 28.272 30.102 1.00 30.02 C
ATOM 195 O PHE A 24 43.046 29.091 30.905 1.00 33.11 O
ATOM 196 CB PHE A 24 41.546 28.452 27.833 1.00 11.43 C
ATOM 197 CG PHE A 24 40.572 29.470 28.346 1.00 28.44 C
ATOM 198 CD1 PHE A 24 41.008 30.738 28.740 1.00 23.73 C
ATOM 199 CD2 PHE A 24 39.220 29.170 28.428 1.00 10.05 C
ATOM 200 CE1 PHE A 24 40.109 31.689 29.209 1.00 15.09 C
ATOM 201 CE2 PHE A 24 38.307 30.116 28.896 1.00 29.41 C
ATOM 202 CZ PHE A 24 38.756 31.382 29.289 1.00 25.78 C
ATOM 203 N ILE A 25 41.868 27.220 30.470 1.00 36.04 N
ATOM 204 CA ILE A 25 41.528 26.968 31.860 1.00 23.30 C
ATOM 205 C ILE A 25 42.755 26.809 32.745 1.00 26.61 C
ATOM 206 O ILE A 25 42.831 27.394 33.825 1.00 31.86 O
ATOM 207 CB ILE A 25 40.654 25.710 31.990 1.00 41.20 C
ATOM 208 CG1 ILE A 25 39.324 25.930 31.266 1.00 37.52 C
ATOM 209 CG2 ILE A 25 40.408 25.392 33.462 1.00 45.03 C
ATOM 210 CD1 ILE A 25 38.517 27.093 31.800 1.00 49.06 C
ATOM 211 N PHE A 26 43.731 26.031 32.303 1.00 24.92 N
ATOM 212 CA PHE A 26 44.903 25.851 33.136 1.00 23.57 C
ATOM 213 C PHE A 26 45.552 27.183 33.492 1.00 31.44 C
ATOM 214 O PHE A 26 45.872 27.441 34.651 1.00 37.52 O
ATOM 215 CB PHE A 26 45.941 24.987 32.452 1.00 23.32 C
ATOM 216 CG PHE A 26 47.140 24.746 33.303 1.00 27.49 C
ATOM 217 CD1 PHE A 26 47.181 23.665 34.177 1.00 29.09 C
ATOM 218 CD2 PHE A 26 48.206 25.640 33.287 1.00 27.65 C
ATOM 219 CE1 PHE A 26 48.265 23.483 35.025 1.00 35.16 C
ATOM 220 CE2 PHE A 26 49.294 25.466 34.131 1.00 23.91 C
ATOM 221 CZ PHE A 26 49.324 24.384 35.003 1.00 34.54 C
ATOM 222 N ILE A 27 45.765 28.012 32.478 1.00 28.78 N
ATOM 223 CA ILE A 27 46.381 29.317 32.660 1.00 20.63 C
ATOM 224 C ILE A 27 45.514 30.240 33.524 1.00 14.84 C
ATOM 225 O ILE A 27 45.961 30.723 34.568 1.00 13.61 O
ATOM 226 CB ILE A 27 46.631 29.982 31.275 1.00 31.71 C
ATOM 227 CG1 ILE A 27 47.573 29.101 30.453 1.00 28.43 C
ATOM 228 CG2 ILE A 27 47.220 31.388 31.449 1.00 25.91 C
ATOM 229 CD1 ILE A 27 47.774 29.555 29.020 1.00 30.29 C
ATOM 230 N SER A 28 44.266 30.449 33.107 1.00 16.67 N
ATOM 231 CA SER A 28 43.346 31.343 33.824 1.00 21.14 C
ATOM 232 C SER A 28 42.994 30.962 35.256 1.00 27.47 C
ATOM 233 O SER A 28 43.241 31.738 36.174 1.00 18.89 O
ATOM 234 CB SER A 28 42.057 31.532 33.019 1.00 23.06 C
ATOM 235 OG SER A 28 42.327 32.238 31.827 1.00 28.54 O
ATOM 236 N ILE A 29 42.387 29.797 35.465 1.00 34.93 N
ATOM 237 CA ILE A 29 42.076 29.407 36.833 1.00 26.65 C
ATOM 238 C ILE A 29 43.419 29.279 37.551 1.00 23.95 C
ATOM 239 O ILE A 29 43.531 29.533 38.756 1.00 32.07 O
ATOM 240 CB ILE A 29 41.295 28.071 36.900 1.00 29.40 C
ATOM 241 CG1 ILE A 29 39.956 28.220 36.167 1.00 34.00 C
ATOM 242 CG2 ILE A 29 41.044 27.693 38.362 1.00 31.36 C
ATOM 243 CD1 ILE A 29 38.941 27.136 36.472 1.00 40.90 C
ATOM 244 N GLY A 30 44.446 28.908 36.793 1.00 20.77 N
ATOM 245 CA GLY A 30 45.774 28.788 37.372 1.00 27.49 C
ATOM 246 C GLY A 30 46.213 30.118 37.964 1.00 29.99 C
ATOM 247 O GLY A 30 46.837 30.168 39.022 1.00 27.91 O
ATOM 248 N SER A 31 45.874 31.206 37.277 1.00 34.69 N
ATOM 249 CA SER A 31 46.232 32.550 37.729 1.00 27.47 C
ATOM 250 C SER A 31 45.385 32.958 38.925 1.00 25.49 C
ATOM 251 O SER A 31 45.894 33.520 39.891 1.00 28.68 O
ATOM 252 CB SER A 31 46.032 33.558 36.587 1.00 26.72 C
ATOM 253 OG SER A 31 46.391 34.874 36.981 1.00 22.35 O
ATOM 254 N ALA A 32 44.088 32.677 38.851 1.00 18.14 N
ATOM 255 CA ALA A 32 43.162 33.012 39.923 1.00 23.06 C
ATOM 256 C ALA A 32 43.516 32.394 41.285 1.00 30.09 C
ATOM 257 O ALA A 32 43.317 33.020 42.322 1.00 27.96 O
ATOM 258 CB ALA A 32 41.749 32.596 39.529 1.00 31.40 C
ATOM 259 N LEU A 33 44.024 31.167 41.290 1.00 36.88 N
ATOM 260 CA LEU A 33 44.364 30.515 42.548 1.00 33.74 C
ATOM 261 C LEU A 33 45.720 30.963 43.078 1.00 33.27 C
ATOM 262 O LEU A 33 46.060 30.717 44.232 1.00 34.58 O
ATOM 263 CB LEU A 33 44.382 28.997 42.371 1.00 38.49 C
ATOM 264 CG LEU A 33 43.106 28.274 41.950 1.00 46.51 C
ATOM 265 CD1 LEU A 33 43.421 26.793 41.786 1.00 36.65 C
ATOM 266 CD2 LEU A 33 42.008 28.481 42.982 1.00 38.75 C
ATOM 267 N GLY A 34 46.490 31.629 42.233 1.00 30.24 N
ATOM 268 CA GLY A 34 47.813 32.062 42.638 1.00 26.42 C
ATOM 269 C GLY A 34 47.942 32.962 43.853 1.00 27.29 C
ATOM 270 O GLY A 34 48.997 32.991 44.482 1.00 32.40 O
ATOM 271 N PHE A 35 46.901 33.710 44.197 1.00 30.06 N
ATOM 272 CA PHE A 35 47.022 34.601 45.341 1.00 33.79 C
ATOM 273 C PHE A 35 46.990 33.855 46.664 1.00 34.18 C
ATOM 274 O PHE A 35 47.491 34.358 47.667 1.00 27.80 O
ATOM 275 CB PHE A 35 45.951 35.702 45.304 1.00 36.71 C
ATOM 276 CG PHE A 35 44.589 35.265 45.762 1.00 38.54 C
ATOM 277 CD1 PHE A 35 43.945 35.953 46.792 1.00 49.98 C
ATOM 278 CD2 PHE A 35 43.921 34.221 45.135 1.00 23.40 C
ATOM 279 CE1 PHE A 35 42.652 35.614 47.187 1.00 35.23 C
ATOM 280 CE2 PHE A 35 42.630 33.874 45.520 1.00 37.41 C
ATOM 281 CZ PHE A 35 41.991 34.576 46.551 1.00 31.97 C
ATOM 282 N HIS A 36 46.406 32.657 46.660 1.00 40.37 N
ATOM 283 CA HIS A 36 46.344 31.815 47.855 1.00 36.01 C
ATOM 284 C HIS A 36 47.733 31.269 48.148 1.00 46.46 C
ATOM 285 O HIS A 36 47.872 30.333 48.931 1.00 59.65 O
ATOM 286 CB HIS A 36 45.432 30.603 47.643 1.00 27.47 C
ATOM 287 CG HIS A 36 43.977 30.931 47.581 1.00 35.37 C
ATOM 288 ND1 HIS A 36 43.352 31.719 48.522 1.00 37.49 N
ATOM 289 CD2 HIS A 36 43.018 30.564 46.701 1.00 41.85 C
ATOM 290 CE1 HIS A 36 42.071 31.826 48.223 1.00 34.21 C
ATOM 291 NE2 HIS A 36 41.842 31.134 47.122 1.00 36.51 N
ATOM 292 N TYR A 37 48.768 31.839 47.544 1.00 48.90 N
ATOM 293 CA TYR A 37 50.086 31.287 47.779 1.00 61.08 C
ATOM 294 C TYR A 37 51.127 32.009 48.617 1.00 82.69 C
ATOM 295 O TYR A 37 52.200 32.369 48.134 1.00 66.85 O
ATOM 296 CB TYR A 37 50.685 30.844 46.447 1.00 53.98 C
ATOM 297 CG TYR A 37 50.160 29.487 46.042 1.00 44.20 C
ATOM 298 CD1 TYR A 37 50.893 28.331 46.303 1.00 34.64 C
ATOM 299 CD2 TYR A 37 48.895 29.348 45.465 1.00 41.69 C
ATOM 300 CE1 TYR A 37 50.383 27.073 46.008 1.00 34.03 C
ATOM 301 CE2 TYR A 37 48.376 28.091 45.167 1.00 30.23 C
ATOM 302 CZ TYR A 37 49.129 26.961 45.441 1.00 39.82 C
ATOM 303 OH TYR A 37 48.630 25.711 45.153 1.00 39.42 O
ATOM 304 N PRO A 38 50.800 32.247 49.899 1.00107.41 N
ATOM 305 CA PRO A 38 51.678 32.901 50.871 1.00121.99 C
ATOM 306 C PRO A 38 52.134 31.724 51.743 1.00128.65 C
ATOM 307 O PRO A 38 52.996 31.852 52.614 1.00138.23 O
ATOM 308 CB PRO A 38 50.731 33.834 51.642 1.00129.85 C
ATOM 309 CG PRO A 38 49.432 33.819 50.845 1.00125.77 C
ATOM 310 CD PRO A 38 49.402 32.421 50.318 1.00120.85 C
ATOM 311 N ILE A 39 51.515 30.576 51.465 1.00131.84 N
ATOM 312 CA ILE A 39 51.739 29.308 52.157 1.00127.01 C
ATOM 313 C ILE A 39 53.156 29.046 52.648 1.00131.07 C
ATOM 314 O ILE A 39 54.130 29.317 51.951 1.00137.61 O
ATOM 315 CB ILE A 39 51.332 28.115 51.260 1.00116.40 C
ATOM 316 CG1 ILE A 39 49.896 28.292 50.769 1.00110.18 C
ATOM 317 CG2 ILE A 39 51.451 26.816 52.037 1.00108.59 C
ATOM 318 CD1 ILE A 39 49.409 27.166 49.884 1.00104.17 C
ATOM 319 N LYS A 40 53.245 28.503 53.859 1.00136.55 N
ATOM 320 CA LYS A 40 54.510 28.147 54.493 1.00138.67 C
ATOM 321 C LYS A 40 54.219 27.213 55.665 1.00145.94 C
ATOM 322 O LYS A 40 54.779 27.365 56.751 1.00149.91 O
ATOM 323 CB LYS A 40 55.257 29.390 54.992 1.00132.59 C
ATOM 324 CG LYS A 40 55.899 30.223 53.891 1.00122.50 C
ATOM 325 CD LYS A 40 56.956 31.168 54.439 1.00112.20 C
ATOM 326 CE LYS A 40 58.141 30.399 55.006 1.00104.60 C
ATOM 327 NZ LYS A 40 59.194 31.303 55.550 1.00 98.45 N
ATOM 328 N SER A 41 53.332 26.250 55.428 1.00152.32 N
ATOM 329 CA SER A 41 52.937 25.271 56.438 1.00155.70 C
ATOM 330 C SER A 41 52.254 25.917 57.640 1.00157.14 C
ATOM 331 O SER A 41 52.060 25.276 58.673 1.00156.22 O
ATOM 332 CB SER A 41 54.156 24.468 56.905 1.00156.64 C
ATOM 333 OG SER A 41 54.694 23.694 55.846 1.00158.52 O
ATOM 334 N ASN A 42 51.889 27.187 57.498 1.00156.56 N
ATOM 335 CA ASN A 42 51.222 27.919 58.569 1.00157.42 C
ATOM 336 C ASN A 42 49.772 28.195 58.183 1.00159.53 C
ATOM 337 O ASN A 42 49.261 27.619 57.223 1.00162.14 O
ATOM 338 CB ASN A 42 51.949 29.240 58.838 1.00156.08 C
ATOM 339 CG ASN A 42 53.387 29.037 59.282 1.00152.03 C
ATOM 340 OD1 ASN A 42 54.123 29.999 59.500 1.00147.65 O
ATOM 341 ND2 ASN A 42 53.794 27.780 59.418 1.00151.12 N
ATOM 342 N GLN A 43 49.113 29.075 58.930 1.00162.50 N
ATOM 343 CA GLN A 43 47.722 29.409 58.647 1.00164.89 C
ATOM 344 C GLN A 43 47.326 30.711 59.342 1.00165.22 C
ATOM 345 O GLN A 43 46.491 30.712 60.247 1.00164.37 O
ATOM 346 CB GLN A 43 46.809 28.271 59.112 1.00164.83 C
ATOM 347 CG GLN A 43 45.428 28.266 58.470 1.00168.02 C
ATOM 348 CD GLN A 43 45.461 27.881 56.998 1.00169.34 C
ATOM 349 OE1 GLN A 43 44.427 27.853 56.329 1.00168.95 O
ATOM 350 NE2 GLN A 43 46.650 27.578 56.488 1.00169.59 N
ATOM 351 N THR A 44 47.930 31.815 58.910 1.00162.13 N
ATOM 352 CA THR A 44 47.648 33.128 59.486 1.00161.62 C
ATOM 353 C THR A 44 47.207 34.134 58.420 1.00160.78 C
ATOM 354 O THR A 44 47.985 34.487 57.533 1.00160.92 O
ATOM 355 CB THR A 44 48.891 33.695 60.212 1.00161.42 C
ATOM 356 OG1 THR A 44 49.974 33.825 59.283 1.00158.58 O
ATOM 357 CG2 THR A 44 49.313 32.771 61.344 1.00159.61 C
ATOM 358 N THR A 45 45.959 34.588 58.517 1.00157.43 N
ATOM 359 CA THR A 45 45.390 35.554 57.574 1.00151.68 C
ATOM 360 C THR A 45 45.560 35.135 56.110 1.00140.42 C
ATOM 361 O THR A 45 45.920 33.994 55.822 1.00147.04 O
ATOM 362 CB THR A 45 46.008 36.962 57.773 1.00157.58 C
ATOM 363 OG1 THR A 45 47.431 36.897 57.610 1.00160.11 O
ATOM 364 CG2 THR A 45 45.686 37.492 59.162 1.00159.38 C
ATOM 365 N GLY A 46 45.290 36.061 55.190 1.00133.89 N
ATOM 366 CA GLY A 46 45.418 35.759 53.773 1.00105.98 C
ATOM 367 C GLY A 46 45.472 36.991 52.885 1.00 92.24 C
ATOM 368 O GLY A 46 45.108 38.088 53.307 1.00 90.07 O
ATOM 369 N ALA A 47 45.917 36.805 51.646 1.00 80.94 N
ATOM 370 CA ALA A 47 46.032 37.903 50.689 1.00 63.50 C
ATOM 371 C ALA A 47 44.715 38.229 49.994 1.00 56.23 C
ATOM 372 O ALA A 47 43.811 37.399 49.930 1.00 56.45 O
ATOM 373 CB ALA A 47 47.089 37.572 49.651 1.00 49.18 C
ATOM 374 N VAL A 48 44.629 39.445 49.464 1.00 52.15 N
ATOM 375 CA VAL A 48 43.443 39.923 48.760 1.00 44.10 C
ATOM 376 C VAL A 48 43.570 39.719 47.248 1.00 41.75 C
ATOM 377 O VAL A 48 44.506 40.220 46.632 1.00 41.56 O
ATOM 378 CB VAL A 48 43.221 41.433 49.017 1.00 47.12 C
ATOM 379 CG1 VAL A 48 41.943 41.897 48.339 1.00 29.12 C
ATOM 380 CG2 VAL A 48 43.170 41.709 50.518 1.00 46.26 C
ATOM 381 N GLN A 49 42.619 38.994 46.663 1.00 38.14 N
ATOM 382 CA GLN A 49 42.597 38.735 45.223 1.00 35.34 C
ATOM 383 C GLN A 49 42.734 40.007 44.389 1.00 27.53 C
ATOM 384 O GLN A 49 42.185 41.050 44.729 1.00 28.08 O
ATOM 385 CB GLN A 49 41.291 38.035 44.828 1.00 24.51 C
ATOM 386 CG GLN A 49 41.148 37.751 43.330 1.00 30.78 C
ATOM 387 CD GLN A 49 42.227 36.824 42.795 1.00 41.60 C
ATOM 388 OE1 GLN A 49 43.412 37.170 42.774 1.00 23.74 O
ATOM 389 NE2 GLN A 49 41.822 35.635 42.360 1.00 29.80 N
ATOM 390 N ASP A 50 43.452 39.897 43.279 1.00 30.61 N
ATOM 391 CA ASP A 50 43.670 41.017 42.374 1.00 24.42 C
ATOM 392 C ASP A 50 42.757 40.832 41.178 1.00 19.10 C
ATOM 393 O ASP A 50 42.966 39.912 40.394 1.00 13.39 O
ATOM 394 CB ASP A 50 45.117 41.008 41.907 1.00 25.29 C
ATOM 395 CG ASP A 50 45.457 42.206 41.076 1.00 25.22 C
ATOM 396 OD1 ASP A 50 44.600 42.609 40.267 1.00 25.85 O
ATOM 397 OD2 ASP A 50 46.583 42.731 41.224 1.00 30.29 O
ATOM 398 N ASN A 51 41.759 41.702 41.013 1.00 18.96 N
ATOM 399 CA ASN A 51 40.813 41.561 39.901 1.00 6.28 C
ATOM 400 C ASN A 51 41.331 41.899 38.519 1.00 15.38 C
ATOM 401 O ASN A 51 40.782 41.441 37.515 1.00 16.80 O
ATOM 402 CB ASN A 51 39.559 42.389 40.176 1.00 29.69 C
ATOM 403 CG ASN A 51 38.725 41.804 41.277 1.00 23.62 C
ATOM 404 OD1 ASN A 51 39.260 41.319 42.272 1.00 23.96 O
ATOM 405 ND2 ASN A 51 37.407 41.850 41.117 1.00 34.89 N
ATOM 406 N VAL A 52 42.368 42.725 38.458 1.00 17.25 N
ATOM 407 CA VAL A 52 42.938 43.079 37.178 1.00 16.85 C
ATOM 408 C VAL A 52 43.766 41.882 36.730 1.00 6.47 C
ATOM 409 O VAL A 52 43.685 41.446 35.577 1.00 16.36 O
ATOM 410 CB VAL A 52 43.826 44.335 37.284 1.00 9.60 C
ATOM 411 CG1 VAL A 52 44.414 44.643 35.922 1.00 7.14 C
ATOM 412 CG2 VAL A 52 42.987 45.526 37.768 1.00 9.60 C
ATOM 413 N LYS A 53 44.547 41.348 37.664 1.00 14.75 N
ATOM 414 CA LYS A 53 45.386 40.187 37.398 1.00 13.62 C
ATOM 415 C LYS A 53 44.521 39.080 36.799 1.00 21.14 C
ATOM 416 O LYS A 53 44.815 38.568 35.715 1.00 23.87 O
ATOM 417 CB LYS A 53 46.029 39.714 38.703 1.00 12.69 C
ATOM 418 CG LYS A 53 46.773 38.381 38.622 1.00 14.32 C
ATOM 419 CD LYS A 53 47.083 37.878 40.036 1.00 19.82 C
ATOM 420 CE LYS A 53 47.697 36.472 40.043 1.00 22.35 C
ATOM 421 NZ LYS A 53 47.735 35.908 41.422 1.00 18.28 N
ATOM 422 N VAL A 54 43.430 38.740 37.480 1.00 21.75 N
ATOM 423 CA VAL A 54 42.552 37.675 36.989 1.00 15.94 C
ATOM 424 C VAL A 54 41.869 38.029 35.684 1.00 16.68 C
ATOM 425 O VAL A 54 41.857 37.220 34.750 1.00 15.84 O
ATOM 426 CB VAL A 54 41.460 37.292 38.016 1.00 22.37 C
ATOM 427 CG1 VAL A 54 40.748 36.021 37.559 1.00 25.01 C
ATOM 428 CG2 VAL A 54 42.075 37.086 39.384 1.00 24.62 C
ATOM 429 N SER A 55 41.287 39.223 35.594 1.00 11.77 N
ATOM 430 CA SER A 55 40.630 39.591 34.343 1.00 8.73 C
ATOM 431 C SER A 55 41.627 39.528 33.162 1.00 14.76 C
ATOM 432 O SER A 55 41.297 39.052 32.087 1.00 14.79 O
ATOM 433 CB SER A 55 40.023 40.997 34.438 1.00 17.16 C
ATOM 434 OG SER A 55 39.170 41.104 35.556 1.00 12.24 O
ATOM 435 N LEU A 56 42.847 40.013 33.344 1.00 15.58 N
ATOM 436 CA LEU A 56 43.797 39.928 32.237 1.00 24.00 C
ATOM 437 C LEU A 56 44.190 38.474 31.949 1.00 11.14 C
ATOM 438 O LEU A 56 44.376 38.093 30.794 1.00 32.64 O
ATOM 439 CB LEU A 56 45.039 40.776 32.529 1.00 13.78 C
ATOM 440 CG LEU A 56 44.726 42.277 32.627 1.00 10.55 C
ATOM 441 CD1 LEU A 56 46.008 43.054 32.978 1.00 10.00 C
ATOM 442 CD2 LEU A 56 44.151 42.772 31.299 1.00 9.17 C
ATOM 443 N ALA A 57 44.307 37.658 32.990 1.00 24.12 N
ATOM 444 CA ALA A 57 44.674 36.259 32.794 1.00 30.21 C
ATOM 445 C ALA A 57 43.696 35.594 31.833 1.00 26.55 C
ATOM 446 O ALA A 57 44.098 34.944 30.873 1.00 26.09 O
ATOM 447 CB ALA A 57 44.679 35.533 34.114 1.00 43.36 C
ATOM 448 N PHE A 58 42.407 35.768 32.090 1.00 33.45 N
ATOM 449 CA PHE A 58 41.378 35.197 31.236 1.00 23.48 C
ATOM 450 C PHE A 58 41.368 35.827 29.853 1.00 21.90 C
ATOM 451 O PHE A 58 41.399 35.123 28.851 1.00 25.97 O
ATOM 452 CB PHE A 58 39.998 35.381 31.865 1.00 25.55 C
ATOM 453 CG PHE A 58 39.630 34.307 32.848 1.00 29.20 C
ATOM 454 CD1 PHE A 58 40.139 34.319 34.142 1.00 38.00 C
ATOM 455 CD2 PHE A 58 38.774 33.276 32.475 1.00 26.74 C
ATOM 456 CE1 PHE A 58 39.800 33.316 35.056 1.00 43.73 C
ATOM 457 CE2 PHE A 58 38.428 32.269 33.378 1.00 31.65 C
ATOM 458 CZ PHE A 58 38.942 32.290 34.671 1.00 31.31 C
ATOM 459 N GLY A 59 41.327 37.156 29.807 1.00 17.12 N
ATOM 460 CA GLY A 59 41.282 37.856 28.537 1.00 15.44 C
ATOM 461 C GLY A 59 42.479 37.612 27.637 1.00 21.61 C
ATOM 462 O GLY A 59 42.314 37.352 26.441 1.00 27.21 O
ATOM 463 N LEU A 60 43.686 37.703 28.191 1.00 15.20 N
ATOM 464 CA LEU A 60 44.871 37.479 27.377 1.00 14.30 C
ATOM 465 C LEU A 60 44.993 36.006 26.985 1.00 14.45 C
ATOM 466 O LEU A 60 45.579 35.676 25.952 1.00 16.76 O
ATOM 467 CB LEU A 60 46.125 37.974 28.107 1.00 4.32 C
ATOM 468 CG LEU A 60 46.116 39.476 28.475 1.00 12.39 C
ATOM 469 CD1 LEU A 60 47.471 39.886 29.035 1.00 8.49 C
ATOM 470 CD2 LEU A 60 45.787 40.307 27.258 1.00 4.85 C
ATOM 471 N SER A 61 44.427 35.113 27.788 1.00 17.04 N
ATOM 472 CA SER A 61 44.482 33.691 27.442 1.00 17.22 C
ATOM 473 C SER A 61 43.766 33.555 26.110 1.00 6.50 C
ATOM 474 O SER A 61 44.270 32.931 25.178 1.00 18.97 O
ATOM 475 CB SER A 61 43.777 32.834 28.511 1.00 18.82 C
ATOM 476 OG SER A 61 44.585 32.690 29.666 1.00 26.95 O
ATOM 477 N ILE A 62 42.588 34.173 26.022 1.00 18.28 N
ATOM 478 CA ILE A 62 41.762 34.151 24.818 1.00 13.70 C
ATOM 479 C ILE A 62 42.435 34.868 23.643 1.00 11.28 C
ATOM 480 O ILE A 62 42.508 34.340 22.528 1.00 15.69 O
ATOM 481 CB ILE A 62 40.396 34.810 25.110 1.00 23.71 C
ATOM 482 CG1 ILE A 62 39.677 34.008 26.190 1.00 34.70 C
ATOM 483 CG2 ILE A 62 39.551 34.880 23.860 1.00 9.16 C
ATOM 484 CD1 ILE A 62 39.672 32.523 25.925 1.00 19.62 C
ATOM 485 N ALA A 63 42.931 36.079 23.892 1.00 21.10 N
ATOM 486 CA ALA A 63 43.618 36.836 22.846 1.00 10.17 C
ATOM 487 C ALA A 63 44.707 35.940 22.268 1.00 2.00 C
ATOM 488 O ALA A 63 44.823 35.783 21.071 1.00 8.85 O
ATOM 489 CB ALA A 63 44.250 38.090 23.439 1.00 6.79 C
ATOM 490 N THR A 64 45.496 35.346 23.149 1.00 12.27 N
ATOM 491 CA THR A 64 46.600 34.482 22.723 1.00 20.83 C
ATOM 492 C THR A 64 46.136 33.228 22.003 1.00 15.53 C
ATOM 493 O THR A 64 46.612 32.901 20.910 1.00 20.50 O
ATOM 494 CB THR A 64 47.421 34.068 23.917 1.00 15.04 C
ATOM 495 OG1 THR A 64 47.820 35.249 24.631 1.00 15.24 O
ATOM 496 CG2 THR A 64 48.658 33.277 23.466 1.00 15.23 C
ATOM 497 N LEU A 65 45.190 32.529 22.617 1.00 29.19 N
ATOM 498 CA LEU A 65 44.650 31.311 22.032 1.00 20.26 C
ATOM 499 C LEU A 65 43.923 31.584 20.715 1.00 24.21 C
ATOM 500 O LEU A 65 44.045 30.790 19.770 1.00 15.39 O
ATOM 501 CB LEU A 65 43.732 30.606 23.054 1.00 19.49 C
ATOM 502 CG LEU A 65 44.395 29.596 24.015 1.00 27.59 C
ATOM 503 CD1 LEU A 65 45.920 29.698 23.968 1.00 19.09 C
ATOM 504 CD2 LEU A 65 43.881 29.813 25.438 1.00 15.05 C
ATOM 505 N ALA A 66 43.189 32.701 20.629 1.00 12.41 N
ATOM 506 CA ALA A 66 42.478 33.026 19.383 1.00 8.64 C
ATOM 507 C ALA A 66 43.475 33.300 18.270 1.00 14.97 C
ATOM 508 O ALA A 66 43.210 33.041 17.091 1.00 18.13 O
ATOM 509 CB ALA A 66 41.583 34.240 19.574 1.00 17.42 C
ATOM 510 N GLN A 67 44.625 33.836 18.665 1.00 19.09 N
ATOM 511 CA GLN A 67 45.707 34.163 17.752 1.00 22.77 C
ATOM 512 C GLN A 67 46.426 32.874 17.332 1.00 21.58 C
ATOM 513 O GLN A 67 46.852 32.726 16.183 1.00 15.61 O
ATOM 514 CB GLN A 67 46.692 35.106 18.470 1.00 18.82 C
ATOM 515 CG GLN A 67 47.998 35.369 17.750 1.00 14.18 C
ATOM 516 CD GLN A 67 47.932 36.558 16.822 1.00 15.67 C
ATOM 517 OE1 GLN A 67 48.942 36.985 16.263 1.00 13.75 O
ATOM 518 NE2 GLN A 67 46.749 37.108 16.659 1.00 22.94 N
ATOM 519 N SER A 68 46.559 31.951 18.278 1.00 21.75 N
ATOM 520 CA SER A 68 47.248 30.678 18.032 1.00 25.70 C
ATOM 521 C SER A 68 46.505 29.640 17.194 1.00 20.73 C
ATOM 522 O SER A 68 47.126 28.935 16.409 1.00 31.07 O
ATOM 523 CB SER A 68 47.634 30.039 19.361 1.00 22.19 C
ATOM 524 OG SER A 68 48.438 30.920 20.123 1.00 18.98 O
ATOM 525 N VAL A 69 45.190 29.536 17.362 1.00 20.97 N
ATOM 526 CA VAL A 69 44.413 28.555 16.606 1.00 21.26 C
ATOM 527 C VAL A 69 43.107 29.103 16.033 1.00 26.77 C
ATOM 528 O VAL A 69 42.262 28.339 15.551 1.00 29.22 O
ATOM 529 CB VAL A 69 44.069 27.308 17.471 1.00 23.03 C
ATOM 530 CG1 VAL A 69 45.338 26.624 17.932 1.00 30.73 C
ATOM 531 CG2 VAL A 69 43.252 27.713 18.670 1.00 14.42 C
ATOM 532 N GLY A 70 42.938 30.421 16.077 1.00 26.97 N
ATOM 533 CA GLY A 70 41.728 31.022 15.542 1.00 14.63 C
ATOM 534 C GLY A 70 41.489 30.702 14.071 1.00 26.35 C
ATOM 535 O GLY A 70 40.337 30.638 13.626 1.00 20.06 O
ATOM 536 N HIS A 71 42.563 30.512 13.300 1.00 18.59 N
ATOM 537 CA HIS A 71 42.419 30.182 11.880 1.00 22.38 C
ATOM 538 C HIS A 71 42.011 28.716 11.655 1.00 28.94 C
ATOM 539 O HIS A 71 41.456 28.365 10.618 1.00 32.29 O
ATOM 540 CB HIS A 71 43.719 30.483 11.113 1.00 28.59 C
ATOM 541 CG HIS A 71 44.966 30.022 11.807 1.00 19.17 C
ATOM 542 ND1 HIS A 71 46.076 29.580 11.119 1.00 16.35 N
ATOM 543 CD2 HIS A 71 45.296 29.983 13.118 1.00 12.16 C
ATOM 544 CE1 HIS A 71 47.036 29.291 11.978 1.00 17.79 C
ATOM 545 NE2 HIS A 71 46.590 29.527 13.198 1.00 15.13 N
ATOM 546 N ILE A 72 42.265 27.876 12.651 1.00 33.69 N
ATOM 547 CA ILE A 72 41.961 26.451 12.581 1.00 35.89 C
ATOM 548 C ILE A 72 40.524 26.091 12.973 1.00 37.99 C
ATOM 549 O ILE A 72 39.858 25.320 12.278 1.00 38.65 O
ATOM 550 CB ILE A 72 42.972 25.669 13.459 1.00 43.25 C
ATOM 551 CG1 ILE A 72 44.388 26.000 12.980 1.00 27.27 C