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1ERT.pdb
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HEADER OXIDOREDUCTASE 07-FEB-96 1ERT
TITLE HUMAN THIOREDOXIN (REDUCED FORM)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: THIOREDOXIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: ACTIVE SITE CYSTEINES 32 AND 35 IN THE REDUCED FORM
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS DIMER, THIOREDOXIN, OXIDOREDUCTASE
EXPDTA X-RAY DIFFRACTION
AUTHOR A.WEICHSEL,J.R.GASDASKA,G.POWIS,W.R.MONTFORT
REVDAT 3 18-APR-18 1ERT 1 REMARK
REVDAT 2 24-FEB-09 1ERT 1 VERSN
REVDAT 1 14-OCT-96 1ERT 0
JRNL AUTH A.WEICHSEL,J.R.GASDASKA,G.POWIS,W.R.MONTFORT
JRNL TITL CRYSTAL STRUCTURES OF REDUCED, OXIDIZED, AND MUTATED HUMAN
JRNL TITL 2 THIOREDOXINS: EVIDENCE FOR A REGULATORY HOMODIMER.
JRNL REF STRUCTURE V. 4 735 1996
JRNL REFN ISSN 0969-2126
JRNL PMID 8805557
JRNL DOI 10.1016/S0969-2126(96)00079-2
REMARK 2
REMARK 2 RESOLUTION. 1.70 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.0
REMARK 3 NUMBER OF REFLECTIONS : 9301
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING SET) : 0.210
REMARK 3 FREE R VALUE : 0.240
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 821
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 46
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.00
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.11
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.015
REMARK 3 BOND ANGLES (DEGREES) : 2.800
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.60
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.980
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 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 : PARAM19X.PRO
REMARK 3 PARAMETER FILE 2 : PARAM19.SOL
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO
REMARK 3 TOPOLOGY FILE 2 : TOPH19.SOL
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ERT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173140.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 02-FEB-95
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : NULL
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : DIFFRACTOMETER
REMARK 200 DETECTOR MANUFACTURER : ENRAF-NONIUS FAST
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES, PROCOR, FBSCALE
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9506
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700
REMARK 200 RESOLUTION RANGE LOW (A) : 35.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 92.0
REMARK 200 DATA REDUNDANCY : 2.000
REMARK 200 R MERGE (I) : 0.04700
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: X-PLOR 3.1
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 38.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.97
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
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 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 33.95500
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 13.24500
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 33.95500
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 13.24500
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: DIMERIC
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 67.91000
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 TRP A 31 CD1 - CG - CD2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 TRP A 31 CE2 - CD2 - CG ANGL. DEV. = -7.0 DEGREES
REMARK 500 MET A 74 CA - CB - CG ANGL. DEV. = 10.3 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 CYS A 62 62.35 -111.90
REMARK 500 GLU A 88 137.28 -170.59
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ERT A 2 105 UNP P10599 THIO_HUMAN 1 104
SEQRES 1 A 105 MET VAL LYS GLN ILE GLU SER LYS THR ALA PHE GLN GLU
SEQRES 2 A 105 ALA LEU ASP ALA ALA GLY ASP LYS LEU VAL VAL VAL ASP
SEQRES 3 A 105 PHE SER ALA THR TRP CYS GLY PRO CYS LYS MET ILE LYS
SEQRES 4 A 105 PRO PHE PHE HIS SER LEU SER GLU LYS TYR SER ASN VAL
SEQRES 5 A 105 ILE PHE LEU GLU VAL ASP VAL ASP ASP CYS GLN ASP VAL
SEQRES 6 A 105 ALA SER GLU CYS GLU VAL LYS CYS MET PRO THR PHE GLN
SEQRES 7 A 105 PHE PHE LYS LYS GLY GLN LYS VAL GLY GLU PHE SER GLY
SEQRES 8 A 105 ALA ASN LYS GLU LYS LEU GLU ALA THR ILE ASN GLU LEU
SEQRES 9 A 105 VAL
FORMUL 2 HOH *46(H2 O)
HELIX 1 1 LYS A 8 ALA A 17 1 10
HELIX 2 2 GLY A 33 LYS A 48 1 16
HELIX 3 3 GLN A 63 GLU A 68 1 6
HELIX 4 4 LYS A 94 GLU A 103 1 10
SHEET 1 A 5 VAL A 2 ILE A 5 0
SHEET 2 A 5 VAL A 52 ASP A 58 1 N PHE A 54 O LYS A 3
SHEET 3 A 5 LEU A 22 SER A 28 1 N LEU A 22 O ILE A 53
SHEET 4 A 5 THR A 76 LYS A 81 -1 N PHE A 80 O VAL A 23
SHEET 5 A 5 GLN A 84 SER A 90 -1 N PHE A 89 O PHE A 77
SSBOND 1 CYS A 73 CYS A 73 2655 1555 2.05
CISPEP 1 MET A 74 PRO A 75 0 -16.67
CRYST1 67.910 26.490 51.690 90.00 95.22 90.00 C 1 2 1 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 0.014725 0.000000 0.001345 0.00000
SCALE2 0.000000 0.037750 0.000000 0.00000
SCALE3 0.000000 0.000000 0.019427 0.00000
ATOM 1 N MET A 1 39.754 15.227 24.484 1.00 46.61 N
ATOM 2 CA MET A 1 38.666 15.939 23.789 1.00 43.78 C
ATOM 3 C MET A 1 39.084 15.962 22.295 1.00 38.11 C
ATOM 4 O MET A 1 40.223 15.570 22.006 1.00 38.31 O
ATOM 5 CB MET A 1 38.530 17.378 24.338 1.00 50.16 C
ATOM 6 CG MET A 1 37.128 18.009 24.493 1.00 56.73 C
ATOM 7 SD MET A 1 36.112 17.494 25.928 1.00 64.33 S
ATOM 8 CE MET A 1 36.567 18.706 27.151 1.00 63.71 C
ATOM 9 N VAL A 2 38.253 16.410 21.347 1.00 31.67 N
ATOM 10 CA VAL A 2 38.580 16.380 19.924 1.00 25.48 C
ATOM 11 C VAL A 2 39.243 17.677 19.442 1.00 23.10 C
ATOM 12 O VAL A 2 38.651 18.756 19.508 1.00 24.09 O
ATOM 13 CB VAL A 2 37.263 16.088 19.137 1.00 22.96 C
ATOM 14 CG1 VAL A 2 37.527 16.091 17.647 1.00 20.52 C
ATOM 15 CG2 VAL A 2 36.726 14.706 19.508 1.00 20.90 C
ATOM 16 N LYS A 3 40.446 17.598 18.895 1.00 20.47 N
ATOM 17 CA LYS A 3 41.205 18.740 18.406 1.00 17.34 C
ATOM 18 C LYS A 3 40.848 19.046 16.941 1.00 14.38 C
ATOM 19 O LYS A 3 41.063 18.232 16.051 1.00 13.47 O
ATOM 20 CB LYS A 3 42.675 18.391 18.581 1.00 19.80 C
ATOM 21 CG LYS A 3 43.051 17.999 20.022 1.00 22.74 C
ATOM 22 CD LYS A 3 44.333 17.200 20.021 1.00 26.54 C
ATOM 23 CE LYS A 3 45.529 17.974 20.560 1.00 31.15 C
ATOM 24 NZ LYS A 3 45.290 18.320 21.963 1.00 34.86 N
ATOM 25 N GLN A 4 40.227 20.186 16.659 1.00 12.55 N
ATOM 26 CA GLN A 4 39.903 20.619 15.302 1.00 13.60 C
ATOM 27 C GLN A 4 41.130 21.090 14.513 1.00 11.60 C
ATOM 28 O GLN A 4 41.748 22.102 14.874 1.00 13.73 O
ATOM 29 CB GLN A 4 38.873 21.757 15.377 1.00 16.60 C
ATOM 30 CG GLN A 4 38.306 22.169 14.033 1.00 17.23 C
ATOM 31 CD GLN A 4 37.290 21.194 13.462 1.00 18.12 C
ATOM 32 OE1 GLN A 4 36.440 20.690 14.183 1.00 21.38 O
ATOM 33 NE2 GLN A 4 37.283 20.866 12.188 1.00 19.11 N
ATOM 34 N ILE A 5 41.509 20.431 13.416 1.00 11.94 N
ATOM 35 CA ILE A 5 42.707 20.744 12.637 1.00 9.91 C
ATOM 36 C ILE A 5 42.353 21.661 11.481 1.00 10.60 C
ATOM 37 O ILE A 5 41.507 21.316 10.642 1.00 11.40 O
ATOM 38 CB ILE A 5 43.345 19.401 12.135 1.00 10.33 C
ATOM 39 CG1 ILE A 5 43.874 18.634 13.347 1.00 10.07 C
ATOM 40 CG2 ILE A 5 44.407 19.662 11.044 1.00 9.22 C
ATOM 41 CD1 ILE A 5 44.959 19.302 14.209 1.00 12.48 C
ATOM 42 N GLU A 6 42.962 22.845 11.434 1.00 10.72 N
ATOM 43 CA GLU A 6 42.694 23.793 10.369 1.00 10.07 C
ATOM 44 C GLU A 6 43.921 24.151 9.510 1.00 10.63 C
ATOM 45 O GLU A 6 43.935 25.213 8.878 1.00 10.76 O
ATOM 46 CB GLU A 6 42.060 25.049 10.979 1.00 9.58 C
ATOM 47 CG GLU A 6 40.682 24.768 11.560 1.00 11.28 C
ATOM 48 CD GLU A 6 39.619 24.289 10.553 1.00 12.88 C
ATOM 49 OE1 GLU A 6 39.759 24.462 9.348 1.00 13.16 O
ATOM 50 OE2 GLU A 6 38.617 23.745 10.985 1.00 14.95 O
ATOM 51 N SER A 7 44.957 23.299 9.437 1.00 9.84 N
ATOM 52 CA SER A 7 46.058 23.425 8.487 1.00 10.64 C
ATOM 53 C SER A 7 46.894 22.150 8.489 1.00 9.00 C
ATOM 54 O SER A 7 46.833 21.354 9.425 1.00 8.16 O
ATOM 55 CB SER A 7 47.042 24.590 8.810 1.00 11.06 C
ATOM 56 OG SER A 7 47.668 24.439 10.100 1.00 13.21 O
ATOM 57 N LYS A 8 47.689 21.990 7.431 1.00 9.37 N
ATOM 58 CA LYS A 8 48.701 20.940 7.285 1.00 11.84 C
ATOM 59 C LYS A 8 49.797 21.084 8.369 1.00 10.67 C
ATOM 60 O LYS A 8 50.184 20.098 8.990 1.00 10.83 O
ATOM 61 CB LYS A 8 49.290 21.050 5.877 1.00 13.66 C
ATOM 62 CG LYS A 8 50.286 19.959 5.594 1.00 20.33 C
ATOM 63 CD LYS A 8 50.653 20.127 4.144 1.00 25.89 C
ATOM 64 CE LYS A 8 51.779 19.176 3.814 1.00 30.40 C
ATOM 65 NZ LYS A 8 52.982 19.482 4.575 1.00 36.67 N
ATOM 66 N THR A 9 50.234 22.315 8.657 1.00 11.59 N
ATOM 67 CA THR A 9 51.141 22.626 9.748 1.00 13.50 C
ATOM 68 C THR A 9 50.548 22.208 11.108 1.00 13.64 C
ATOM 69 O THR A 9 51.250 21.546 11.887 1.00 15.57 O
ATOM 70 CB THR A 9 51.469 24.158 9.700 1.00 15.10 C
ATOM 71 OG1 THR A 9 52.202 24.413 8.487 1.00 19.56 O
ATOM 72 CG2 THR A 9 52.300 24.606 10.881 1.00 17.73 C
ATOM 73 N ALA A 10 49.287 22.481 11.430 1.00 11.48 N
ATOM 74 CA ALA A 10 48.720 22.044 12.679 1.00 10.94 C
ATOM 75 C ALA A 10 48.577 20.526 12.719 1.00 11.05 C
ATOM 76 O ALA A 10 48.731 19.941 13.801 1.00 13.13 O
ATOM 77 CB ALA A 10 47.362 22.722 12.861 1.00 11.27 C
ATOM 78 N PHE A 11 48.350 19.833 11.592 1.00 9.87 N
ATOM 79 CA PHE A 11 48.259 18.365 11.561 1.00 10.34 C
ATOM 80 C PHE A 11 49.580 17.693 11.899 1.00 11.40 C
ATOM 81 O PHE A 11 49.648 16.803 12.752 1.00 11.65 O
ATOM 82 CB PHE A 11 47.797 17.892 10.172 1.00 10.73 C
ATOM 83 CG PHE A 11 47.440 16.415 10.048 1.00 11.35 C
ATOM 84 CD1 PHE A 11 46.322 15.888 10.687 1.00 16.04 C
ATOM 85 CD2 PHE A 11 48.195 15.571 9.238 1.00 15.57 C
ATOM 86 CE1 PHE A 11 45.962 14.551 10.512 1.00 15.58 C
ATOM 87 CE2 PHE A 11 47.833 14.232 9.067 1.00 13.96 C
ATOM 88 CZ PHE A 11 46.718 13.729 9.702 1.00 14.34 C
ATOM 89 N GLN A 12 50.639 18.146 11.230 1.00 11.51 N
ATOM 90 CA GLN A 12 52.004 17.685 11.451 1.00 12.82 C
ATOM 91 C GLN A 12 52.431 17.924 12.875 1.00 12.16 C
ATOM 92 O GLN A 12 52.973 17.023 13.515 1.00 12.28 O
ATOM 93 CB GLN A 12 52.970 18.417 10.557 1.00 17.56 C
ATOM 94 CG GLN A 12 52.660 18.275 9.059 1.00 23.61 C
ATOM 95 CD GLN A 12 53.653 18.983 8.147 1.00 25.42 C
ATOM 96 OE1 GLN A 12 54.269 18.349 7.308 1.00 32.43 O
ATOM 97 NE2 GLN A 12 53.890 20.282 8.211 1.00 26.92 N
ATOM 98 N GLU A 13 52.153 19.123 13.401 1.00 12.54 N
ATOM 99 CA GLU A 13 52.511 19.468 14.776 1.00 15.14 C
ATOM 100 C GLU A 13 51.825 18.568 15.778 1.00 13.36 C
ATOM 101 O GLU A 13 52.451 18.115 16.738 1.00 10.65 O
ATOM 102 CB GLU A 13 52.131 20.907 15.145 1.00 21.87 C
ATOM 103 CG GLU A 13 52.925 22.080 14.538 1.00 33.40 C
ATOM 104 CD GLU A 13 54.229 22.572 15.223 1.00 41.56 C
ATOM 105 OE1 GLU A 13 54.603 22.103 16.324 1.00 45.03 O
ATOM 106 OE2 GLU A 13 54.872 23.459 14.625 1.00 43.92 O
ATOM 107 N ALA A 14 50.538 18.271 15.554 1.00 11.62 N
ATOM 108 CA ALA A 14 49.787 17.399 16.442 1.00 11.29 C
ATOM 109 C ALA A 14 50.334 15.983 16.386 1.00 9.16 C
ATOM 110 O ALA A 14 50.393 15.316 17.411 1.00 12.26 O
ATOM 111 CB ALA A 14 48.304 17.345 16.047 1.00 10.38 C
ATOM 112 N LEU A 15 50.759 15.460 15.256 1.00 9.53 N
ATOM 113 CA LEU A 15 51.246 14.111 15.209 1.00 11.56 C
ATOM 114 C LEU A 15 52.625 14.042 15.862 1.00 13.69 C
ATOM 115 O LEU A 15 53.008 12.995 16.391 1.00 13.76 O
ATOM 116 CB LEU A 15 51.317 13.642 13.778 1.00 13.66 C
ATOM 117 CG LEU A 15 50.044 13.328 12.999 1.00 13.57 C
ATOM 118 CD1 LEU A 15 50.489 12.967 11.622 1.00 16.85 C
ATOM 119 CD2 LEU A 15 49.280 12.173 13.546 1.00 14.65 C
ATOM 120 N ASP A 16 53.387 15.142 15.844 1.00 15.20 N
ATOM 121 CA ASP A 16 54.667 15.214 16.571 1.00 18.39 C
ATOM 122 C ASP A 16 54.429 15.267 18.097 1.00 17.95 C
ATOM 123 O ASP A 16 54.973 14.455 18.855 1.00 18.30 O
ATOM 124 CB ASP A 16 55.452 16.463 16.111 1.00 20.69 C
ATOM 125 CG ASP A 16 56.843 16.600 16.761 1.00 27.56 C
ATOM 126 OD1 ASP A 16 56.950 17.187 17.841 1.00 27.74 O
ATOM 127 OD2 ASP A 16 57.821 16.123 16.178 1.00 32.40 O
ATOM 128 N ALA A 17 53.572 16.162 18.614 1.00 17.13 N
ATOM 129 CA ALA A 17 53.327 16.302 20.051 1.00 18.48 C
ATOM 130 C ALA A 17 52.614 15.119 20.707 1.00 19.28 C
ATOM 131 O ALA A 17 52.590 15.004 21.935 1.00 20.14 O
ATOM 132 CB ALA A 17 52.492 17.569 20.323 1.00 18.12 C
ATOM 133 N ALA A 18 52.032 14.188 19.933 1.00 17.31 N
ATOM 134 CA ALA A 18 51.325 13.063 20.524 1.00 17.57 C
ATOM 135 C ALA A 18 52.302 12.135 21.209 1.00 17.69 C
ATOM 136 O ALA A 18 51.898 11.361 22.064 1.00 17.71 O
ATOM 137 CB ALA A 18 50.563 12.237 19.467 1.00 14.93 C
ATOM 138 N GLY A 19 53.575 12.174 20.829 1.00 18.96 N
ATOM 139 CA GLY A 19 54.591 11.321 21.407 1.00 20.78 C
ATOM 140 C GLY A 19 54.356 9.848 21.065 1.00 20.11 C
ATOM 141 O GLY A 19 54.342 9.422 19.919 1.00 19.67 O
ATOM 142 N ASP A 20 54.090 9.088 22.124 1.00 22.09 N
ATOM 143 CA ASP A 20 53.886 7.647 22.088 1.00 24.23 C
ATOM 144 C ASP A 20 52.390 7.332 21.932 1.00 20.55 C
ATOM 145 O ASP A 20 52.059 6.176 21.723 1.00 21.20 O
ATOM 146 CB ASP A 20 54.436 7.012 23.405 1.00 29.07 C
ATOM 147 CG AASP A 20 53.919 7.536 24.768 0.50 31.95 C
ATOM 148 CG BASP A 20 55.391 5.808 23.334 0.50 32.16 C
ATOM 149 OD1AASP A 20 54.183 8.698 25.097 0.50 34.82 O
ATOM 150 OD1BASP A 20 54.925 4.680 23.176 0.50 34.55 O
ATOM 151 OD2AASP A 20 53.267 6.780 25.494 0.50 33.48 O
ATOM 152 OD2BASP A 20 56.601 6.003 23.465 0.50 35.73 O
ATOM 153 N LYS A 21 51.454 8.273 22.020 1.00 16.25 N
ATOM 154 CA LYS A 21 50.042 7.929 22.075 1.00 14.98 C
ATOM 155 C LYS A 21 49.425 7.659 20.707 1.00 13.44 C
ATOM 156 O LYS A 21 49.895 8.145 19.688 1.00 13.72 O
ATOM 157 CB LYS A 21 49.266 9.046 22.727 1.00 13.04 C
ATOM 158 CG LYS A 21 49.624 9.370 24.156 1.00 16.62 C
ATOM 159 CD LYS A 21 49.044 10.748 24.321 1.00 19.42 C
ATOM 160 CE LYS A 21 49.144 11.313 25.719 1.00 23.09 C
ATOM 161 NZ LYS A 21 48.589 12.658 25.703 1.00 27.40 N
ATOM 162 N LEU A 22 48.382 6.842 20.676 1.00 13.62 N
ATOM 163 CA LEU A 22 47.619 6.595 19.464 1.00 10.20 C
ATOM 164 C LEU A 22 46.917 7.887 19.109 1.00 8.09 C
ATOM 165 O LEU A 22 46.405 8.584 19.988 1.00 10.70 O
ATOM 166 CB LEU A 22 46.561 5.521 19.698 1.00 11.08 C
ATOM 167 CG LEU A 22 45.645 5.125 18.531 1.00 9.39 C
ATOM 168 CD1 LEU A 22 46.429 4.490 17.399 1.00 9.04 C
ATOM 169 CD2 LEU A 22 44.630 4.125 19.040 1.00 11.24 C
ATOM 170 N VAL A 23 46.883 8.205 17.830 1.00 7.56 N
ATOM 171 CA VAL A 23 46.148 9.348 17.291 1.00 8.52 C
ATOM 172 C VAL A 23 45.102 8.751 16.326 1.00 7.51 C
ATOM 173 O VAL A 23 45.447 7.922 15.485 1.00 6.55 O
ATOM 174 CB VAL A 23 47.053 10.311 16.492 1.00 8.71 C
ATOM 175 CG1 VAL A 23 46.249 11.555 16.141 1.00 8.31 C
ATOM 176 CG2 VAL A 23 48.264 10.765 17.296 1.00 8.69 C
ATOM 177 N VAL A 24 43.840 9.123 16.528 1.00 7.49 N
ATOM 178 CA VAL A 24 42.686 8.730 15.704 1.00 8.36 C
ATOM 179 C VAL A 24 42.275 10.009 14.962 1.00 7.95 C
ATOM 180 O VAL A 24 41.980 11.027 15.602 1.00 8.01 O
ATOM 181 CB VAL A 24 41.448 8.281 16.535 1.00 8.64 C
ATOM 182 CG1 VAL A 24 40.373 7.740 15.595 1.00 9.48 C
ATOM 183 CG2 VAL A 24 41.859 7.228 17.535 1.00 10.28 C
ATOM 184 N VAL A 25 42.233 10.033 13.630 1.00 8.37 N
ATOM 185 CA VAL A 25 41.827 11.210 12.876 1.00 7.12 C
ATOM 186 C VAL A 25 40.486 10.870 12.208 1.00 7.42 C
ATOM 187 O VAL A 25 40.355 9.827 11.571 1.00 9.14 O
ATOM 188 CB VAL A 25 42.858 11.557 11.791 1.00 7.16 C
ATOM 189 CG1 VAL A 25 42.450 12.866 11.181 1.00 6.58 C
ATOM 190 CG2 VAL A 25 44.270 11.621 12.341 1.00 7.48 C
ATOM 191 N ASP A 26 39.475 11.687 12.398 1.00 5.37 N
ATOM 192 CA ASP A 26 38.237 11.545 11.692 1.00 5.74 C
ATOM 193 C ASP A 26 38.261 12.546 10.539 1.00 5.73 C
ATOM 194 O ASP A 26 38.282 13.760 10.741 1.00 7.25 O
ATOM 195 CB ASP A 26 37.095 11.846 12.640 1.00 7.62 C
ATOM 196 CG ASP A 26 35.685 11.953 12.054 1.00 12.98 C
ATOM 197 OD1 ASP A 26 35.463 11.708 10.867 1.00 11.48 O
ATOM 198 OD2 ASP A 26 34.779 12.292 12.808 1.00 16.59 O
ATOM 199 N PHE A 27 38.286 12.064 9.308 1.00 6.21 N
ATOM 200 CA PHE A 27 38.167 12.905 8.124 1.00 7.66 C
ATOM 201 C PHE A 27 36.693 13.010 7.769 1.00 7.93 C
ATOM 202 O PHE A 27 36.110 11.971 7.439 1.00 7.58 O
ATOM 203 CB PHE A 27 38.912 12.304 6.931 1.00 8.78 C
ATOM 204 CG PHE A 27 40.425 12.411 7.069 1.00 8.69 C
ATOM 205 CD1 PHE A 27 41.088 13.573 6.677 1.00 9.93 C
ATOM 206 CD2 PHE A 27 41.158 11.336 7.577 1.00 8.33 C
ATOM 207 CE1 PHE A 27 42.482 13.646 6.796 1.00 9.80 C
ATOM 208 CE2 PHE A 27 42.553 11.435 7.690 1.00 10.70 C
ATOM 209 CZ PHE A 27 43.216 12.585 7.299 1.00 7.20 C
ATOM 210 N SER A 28 36.062 14.161 7.827 1.00 8.19 N
ATOM 211 CA SER A 28 34.626 14.243 7.591 1.00 12.19 C
ATOM 212 C SER A 28 34.284 15.372 6.636 1.00 12.33 C
ATOM 213 O SER A 28 35.136 16.164 6.227 1.00 13.44 O
ATOM 214 CB SER A 28 33.906 14.443 8.937 1.00 12.41 C
ATOM 215 OG SER A 28 34.400 15.622 9.584 1.00 20.83 O
ATOM 216 N ALA A 29 33.010 15.451 6.256 1.00 14.04 N
ATOM 217 CA ALA A 29 32.478 16.467 5.357 1.00 15.21 C
ATOM 218 C ALA A 29 31.130 16.811 5.977 1.00 17.82 C
ATOM 219 O ALA A 29 30.422 15.923 6.492 1.00 15.61 O
ATOM 220 CB ALA A 29 32.217 15.903 3.979 1.00 16.04 C
ATOM 221 N THR A 30 30.782 18.096 5.919 1.00 21.20 N
ATOM 222 CA THR A 30 29.534 18.616 6.494 1.00 25.20 C
ATOM 223 C THR A 30 28.278 18.099 5.797 1.00 25.16 C
ATOM 224 O THR A 30 27.224 17.896 6.404 1.00 29.16 O
ATOM 225 CB THR A 30 29.566 20.187 6.475 1.00 26.45 C
ATOM 226 OG1 THR A 30 29.903 20.661 5.164 1.00 30.11 O
ATOM 227 CG2 THR A 30 30.585 20.692 7.499 1.00 25.98 C
ATOM 228 N TRP A 31 28.421 17.823 4.519 1.00 24.54 N
ATOM 229 CA TRP A 31 27.323 17.325 3.712 1.00 24.88 C
ATOM 230 C TRP A 31 26.992 15.835 3.864 1.00 24.65 C
ATOM 231 O TRP A 31 25.943 15.351 3.411 1.00 26.33 O
ATOM 232 CB TRP A 31 27.649 17.657 2.245 1.00 21.52 C
ATOM 233 CG TRP A 31 28.965 17.181 1.701 1.00 19.99 C
ATOM 234 CD1 TRP A 31 30.077 17.970 1.642 1.00 18.89 C
ATOM 235 CD2 TRP A 31 29.187 15.897 1.188 1.00 19.94 C
ATOM 236 NE1 TRP A 31 31.008 17.218 1.097 1.00 17.69 N
ATOM 237 CE2 TRP A 31 30.527 16.000 0.828 1.00 18.74 C
ATOM 238 CE3 TRP A 31 28.446 14.753 1.022 1.00 20.17 C
ATOM 239 CZ2 TRP A 31 31.161 14.897 0.282 1.00 21.01 C
ATOM 240 CZ3 TRP A 31 29.085 13.655 0.476 1.00 18.69 C
ATOM 241 CH2 TRP A 31 30.422 13.721 0.114 1.00 21.12 C
ATOM 242 N CYS A 32 27.898 15.073 4.484 1.00 21.52 N
ATOM 243 CA CYS A 32 27.783 13.654 4.495 1.00 17.67 C
ATOM 244 C CYS A 32 27.017 13.222 5.731 1.00 16.52 C
ATOM 245 O CYS A 32 27.480 13.408 6.862 1.00 17.41 O
ATOM 246 CB CYS A 32 29.196 13.193 4.424 1.00 17.06 C
ATOM 247 SG CYS A 32 29.236 11.447 4.092 1.00 20.31 S
ATOM 248 N GLY A 33 25.855 12.598 5.530 1.00 14.93 N
ATOM 249 CA GLY A 33 24.978 12.153 6.605 1.00 16.95 C
ATOM 250 C GLY A 33 25.615 11.229 7.650 1.00 17.07 C
ATOM 251 O GLY A 33 25.574 11.563 8.834 1.00 18.01 O
ATOM 252 N PRO A 34 26.220 10.078 7.330 1.00 17.03 N
ATOM 253 CA PRO A 34 27.010 9.267 8.259 1.00 16.34 C
ATOM 254 C PRO A 34 28.031 10.022 9.112 1.00 15.76 C
ATOM 255 O PRO A 34 28.223 9.618 10.264 1.00 14.88 O
ATOM 256 CB PRO A 34 27.663 8.225 7.393 1.00 17.53 C
ATOM 257 CG PRO A 34 27.549 8.805 5.989 1.00 21.18 C
ATOM 258 CD PRO A 34 26.189 9.463 6.010 1.00 17.04 C
ATOM 259 N CYS A 35 28.650 11.115 8.615 1.00 13.12 N
ATOM 260 CA CYS A 35 29.574 11.917 9.375 1.00 12.90 C
ATOM 261 C CYS A 35 28.880 12.602 10.535 1.00 15.26 C
ATOM 262 O CYS A 35 29.401 12.584 11.655 1.00 14.35 O
ATOM 263 CB CYS A 35 30.237 12.956 8.469 1.00 12.96 C
ATOM 264 SG CYS A 35 31.393 12.239 7.269 1.00 12.03 S
ATOM 265 N LYS A 36 27.661 13.114 10.339 1.00 16.42 N
ATOM 266 CA LYS A 36 26.902 13.808 11.385 1.00 17.98 C
ATOM 267 C LYS A 36 26.415 12.825 12.433 1.00 16.83 C
ATOM 268 O LYS A 36 26.449 13.090 13.631 1.00 18.03 O
ATOM 269 CB LYS A 36 25.720 14.536 10.738 1.00 20.46 C
ATOM 270 CG LYS A 36 26.160 15.709 9.847 1.00 26.77 C
ATOM 271 CD LYS A 36 25.062 16.539 9.119 1.00 30.36 C
ATOM 272 CE LYS A 36 24.366 15.845 7.932 1.00 34.46 C
ATOM 273 NZ LYS A 36 23.658 16.775 7.049 1.00 33.38 N
ATOM 274 N MET A 37 26.034 11.648 11.956 1.00 18.16 N
ATOM 275 CA MET A 37 25.521 10.547 12.751 1.00 21.31 C
ATOM 276 C MET A 37 26.542 10.077 13.800 1.00 20.48 C
ATOM 277 O MET A 37 26.192 9.857 14.967 1.00 21.29 O
ATOM 278 CB MET A 37 25.169 9.418 11.771 1.00 26.72 C
ATOM 279 CG MET A 37 23.808 8.687 11.772 1.00 37.29 C
ATOM 280 SD MET A 37 22.333 9.546 11.133 1.00 44.55 S
ATOM 281 CE MET A 37 22.681 9.875 9.420 1.00 44.51 C
ATOM 282 N ILE A 38 27.814 9.921 13.404 1.00 17.29 N
ATOM 283 CA ILE A 38 28.859 9.457 14.314 1.00 16.60 C
ATOM 284 C ILE A 38 29.599 10.562 15.088 1.00 16.26 C
ATOM 285 O ILE A 38 30.388 10.257 15.994 1.00 16.67 O
ATOM 286 CB ILE A 38 29.870 8.583 13.508 1.00 14.92 C
ATOM 287 CG1 ILE A 38 30.424 7.582 14.521 1.00 13.86 C
ATOM 288 CG2 ILE A 38 30.918 9.430 12.736 1.00 12.78 C
ATOM 289 CD1 ILE A 38 31.262 6.482 13.911 1.00 17.18 C
ATOM 290 N LYS A 39 29.393 11.856 14.861 1.00 16.85 N
ATOM 291 CA LYS A 39 30.128 12.890 15.580 1.00 18.72 C
ATOM 292 C LYS A 39 29.982 12.895 17.122 1.00 17.18 C
ATOM 293 O LYS A 39 31.018 12.991 17.808 1.00 15.52 O
ATOM 294 CB LYS A 39 29.726 14.263 15.019 1.00 22.07 C
ATOM 295 CG LYS A 39 31.002 15.039 14.856 1.00 30.40 C
ATOM 296 CD LYS A 39 30.769 16.494 14.501 1.00 37.46 C
ATOM 297 CE LYS A 39 30.139 17.274 15.650 1.00 41.64 C
ATOM 298 NZ LYS A 39 30.947 17.241 16.868 1.00 45.49 N
ATOM 299 N PRO A 40 28.805 12.800 17.759 1.00 16.19 N
ATOM 300 CA PRO A 40 28.668 12.650 19.207 1.00 14.70 C
ATOM 301 C PRO A 40 29.400 11.431 19.727 1.00 12.55 C
ATOM 302 O PRO A 40 30.106 11.590 20.713 1.00 12.62 O
ATOM 303 CB PRO A 40 27.175 12.577 19.457 1.00 15.95 C
ATOM 304 CG PRO A 40 26.596 13.325 18.280 1.00 17.38 C
ATOM 305 CD PRO A 40 27.464 12.835 17.135 1.00 18.09 C
ATOM 306 N PHE A 41 29.310 10.248 19.103 1.00 12.11 N
ATOM 307 CA PHE A 41 29.991 9.066 19.574 1.00 11.47 C
ATOM 308 C PHE A 41 31.507 9.306 19.472 1.00 11.20 C
ATOM 309 O PHE A 41 32.226 8.961 20.422 1.00 9.16 O
ATOM 310 CB PHE A 41 29.532 7.848 18.750 1.00 10.90 C
ATOM 311 CG PHE A 41 30.188 6.530 19.190 1.00 12.87 C
ATOM 312 CD1 PHE A 41 29.700 5.852 20.308 1.00 15.10 C
ATOM 313 CD2 PHE A 41 31.324 6.027 18.525 1.00 12.45 C
ATOM 314 CE1 PHE A 41 30.348 4.692 20.756 1.00 15.40 C
ATOM 315 CE2 PHE A 41 31.956 4.875 18.985 1.00 11.95 C
ATOM 316 CZ PHE A 41 31.468 4.205 20.100 1.00 11.43 C
ATOM 317 N PHE A 42 32.037 9.959 18.431 1.00 9.73 N
ATOM 318 CA PHE A 42 33.467 10.246 18.325 1.00 8.73 C
ATOM 319 C PHE A 42 33.879 11.167 19.457 1.00 9.56 C
ATOM 320 O PHE A 42 34.908 10.958 20.093 1.00 10.19 O
ATOM 321 CB PHE A 42 33.767 10.917 17.010 1.00 7.56 C
ATOM 322 CG PHE A 42 35.244 11.048 16.707 1.00 5.80 C
ATOM 323 CD1 PHE A 42 35.996 9.914 16.410 1.00 8.40 C
ATOM 324 CD2 PHE A 42 35.847 12.297 16.703 1.00 8.51 C
ATOM 325 CE1 PHE A 42 37.367 10.033 16.099 1.00 10.20 C
ATOM 326 CE2 PHE A 42 37.205 12.409 16.393 1.00 7.82 C
ATOM 327 CZ PHE A 42 37.976 11.287 16.089 1.00 6.80 C
ATOM 328 N HIS A 43 33.061 12.168 19.795 1.00 11.31 N
ATOM 329 CA HIS A 43 33.398 13.070 20.883 1.00 12.92 C
ATOM 330 C HIS A 43 33.213 12.278 22.196 1.00 12.39 C
ATOM 331 O HIS A 43 34.056 12.486 23.072 1.00 10.43 O
ATOM 332 CB HIS A 43 32.513 14.357 20.797 1.00 15.87 C
ATOM 333 CG AHIS A 43 32.838 15.324 21.944 0.50 18.13 C
ATOM 334 CG BHIS A 43 32.829 15.147 19.505 0.50 17.40 C
ATOM 335 ND1AHIS A 43 31.974 15.981 22.699 0.50 20.47 N
ATOM 336 ND1BHIS A 43 33.091 14.629 18.305 0.50 21.03 N
ATOM 337 CD2AHIS A 43 34.107 15.681 22.325 0.50 19.97 C
ATOM 338 CD2BHIS A 43 32.984 16.506 19.410 0.50 19.30 C
ATOM 339 CE1AHIS A 43 32.649 16.738 23.532 0.50 19.83 C
ATOM 340 CE1BHIS A 43 33.422 15.581 17.477 0.50 20.34 C
ATOM 341 NE2AHIS A 43 33.924 16.570 23.320 0.50 18.51 N
ATOM 342 NE2BHIS A 43 33.361 16.715 18.129 0.50 21.52 N
ATOM 343 N SER A 44 32.295 11.311 22.395 1.00 10.45 N
ATOM 344 CA SER A 44 32.256 10.549 23.633 1.00 12.02 C
ATOM 345 C SER A 44 33.519 9.707 23.813 1.00 10.82 C
ATOM 346 O SER A 44 33.992 9.581 24.948 1.00 11.24 O
ATOM 347 CB SER A 44 31.015 9.653 23.660 1.00 9.68 C
ATOM 348 OG SER A 44 31.109 8.410 22.993 1.00 15.05 O
ATOM 349 N LEU A 45 34.113 9.159 22.730 1.00 11.17 N
ATOM 350 CA LEU A 45 35.296 8.319 22.800 1.00 11.47 C
ATOM 351 C LEU A 45 36.450 9.137 23.298 1.00 12.21 C
ATOM 352 O LEU A 45 37.268 8.626 24.075 1.00 11.11 O
ATOM 353 CB LEU A 45 35.611 7.749 21.420 1.00 13.70 C
ATOM 354 CG LEU A 45 35.495 6.227 21.149 1.00 16.47 C
ATOM 355 CD1 LEU A 45 34.471 5.542 22.002 1.00 15.87 C
ATOM 356 CD2 LEU A 45 35.142 6.048 19.711 1.00 13.57 C
ATOM 357 N SER A 46 36.505 10.421 22.932 1.00 12.04 N
ATOM 358 CA SER A 46 37.578 11.288 23.436 1.00 14.16 C
ATOM 359 C SER A 46 37.532 11.585 24.933 1.00 13.92 C
ATOM 360 O SER A 46 38.555 11.898 25.532 1.00 15.24 O
ATOM 361 CB SER A 46 37.612 12.636 22.680 1.00 13.76 C
ATOM 362 OG SER A 46 36.601 13.611 22.914 1.00 14.73 O
ATOM 363 N GLU A 47 36.357 11.558 25.548 1.00 13.91 N
ATOM 364 CA GLU A 47 36.235 11.714 26.991 1.00 15.47 C
ATOM 365 C GLU A 47 36.456 10.400 27.707 1.00 14.78 C
ATOM 366 O GLU A 47 36.895 10.402 28.838 1.00 17.02 O
ATOM 367 CB GLU A 47 34.879 12.219 27.340 1.00 17.00 C
ATOM 368 CG GLU A 47 34.746 13.632 26.886 1.00 22.28 C
ATOM 369 CD GLU A 47 33.329 14.170 26.847 1.00 27.68 C
ATOM 370 OE1 GLU A 47 32.366 13.498 27.216 1.00 32.18 O
ATOM 371 OE2 GLU A 47 33.182 15.311 26.422 1.00 34.41 O
ATOM 372 N LYS A 48 36.156 9.263 27.109 1.00 12.61 N
ATOM 373 CA LYS A 48 36.350 7.973 27.712 1.00 13.41 C
ATOM 374 C LYS A 48 37.812 7.547 27.733 1.00 14.86 C
ATOM 375 O LYS A 48 38.318 6.928 28.685 1.00 14.51 O
ATOM 376 CB LYS A 48 35.480 7.007 26.934 1.00 10.32 C
ATOM 377 CG LYS A 48 35.646 5.566 27.276 1.00 11.83 C
ATOM 378 CD LYS A 48 34.552 4.681 26.690 1.00 11.98 C
ATOM 379 CE LYS A 48 34.880 3.318 27.252 1.00 9.32 C
ATOM 380 NZ LYS A 48 33.960 2.319 26.740 1.00 12.14 N
ATOM 381 N TYR A 49 38.508 7.784 26.617 1.00 17.05 N
ATOM 382 CA TYR A 49 39.910 7.393 26.457 1.00 16.70 C
ATOM 383 C TYR A 49 40.782 8.642 26.510 1.00 19.37 C
ATOM 384 O TYR A 49 41.015 9.364 25.548 1.00 17.89 O
ATOM 385 CB TYR A 49 40.158 6.679 25.120 1.00 15.42 C
ATOM 386 CG TYR A 49 39.438 5.351 24.991 1.00 15.01 C
ATOM 387 CD1 TYR A 49 40.009 4.197 25.552 1.00 15.15 C
ATOM 388 CD2 TYR A 49 38.210 5.294 24.333 1.00 11.50 C
ATOM 389 CE1 TYR A 49 39.352 2.980 25.471 1.00 14.81 C
ATOM 390 CE2 TYR A 49 37.542 4.073 24.240 1.00 12.22 C
ATOM 391 CZ TYR A 49 38.121 2.935 24.809 1.00 14.41 C
ATOM 392 OH TYR A 49 37.477 1.727 24.702 1.00 16.02 O
ATOM 393 N SER A 50 41.287 8.946 27.698 1.00 21.27 N
ATOM 394 CA SER A 50 42.148 10.105 27.878 1.00 23.07 C
ATOM 395 C SER A 50 43.579 9.847 27.427 1.00 20.21 C
ATOM 396 O SER A 50 44.353 10.769 27.265 1.00 22.73 O
ATOM 397 CB SER A 50 42.070 10.497 29.372 1.00 25.96 C
ATOM 398 OG SER A 50 42.092 9.302 30.154 1.00 32.13 O
ATOM 399 N ASN A 51 43.957 8.607 27.169 1.00 18.82 N
ATOM 400 CA ASN A 51 45.292 8.235 26.731 1.00 20.97 C
ATOM 401 C ASN A 51 45.415 8.137 25.184 1.00 20.37 C
ATOM 402 O ASN A 51 46.394 7.574 24.647 1.00 22.66 O
ATOM 403 CB ASN A 51 45.645 6.894 27.403 1.00 22.04 C
ATOM 404 CG ASN A 51 44.642 5.775 27.130 1.00 25.20 C
ATOM 405 OD1 ASN A 51 45.024 4.700 26.716 1.00 29.49 O
ATOM 406 ND2 ASN A 51 43.341 5.819 27.412 1.00 24.78 N
ATOM 407 N VAL A 52 44.439 8.678 24.430 1.00 15.08 N
ATOM 408 CA VAL A 52 44.405 8.576 22.971 1.00 12.23 C
ATOM 409 C VAL A 52 44.090 10.015 22.524 1.00 11.54 C
ATOM 410 O VAL A 52 43.338 10.725 23.210 1.00 11.29 O
ATOM 411 CB VAL A 52 43.283 7.554 22.515 1.00 12.10 C
ATOM 412 CG1 VAL A 52 43.140 7.520 20.978 1.00 10.02 C
ATOM 413 CG2 VAL A 52 43.662 6.138 22.902 1.00 11.67 C
ATOM 414 N ILE A 53 44.657 10.505 21.416 1.00 10.25 N
ATOM 415 CA ILE A 53 44.446 11.867 20.917 1.00 10.65 C
ATOM 416 C ILE A 53 43.416 11.718 19.777 1.00 9.24 C
ATOM 417 O ILE A 53 43.551 10.864 18.901 1.00 9.58 O
ATOM 418 CB ILE A 53 45.813 12.438 20.390 1.00 13.12 C
ATOM 419 CG1 ILE A 53 46.862 12.493 21.498 1.00 13.94 C
ATOM 420 CG2 ILE A 53 45.632 13.837 19.826 1.00 10.51 C
ATOM 421 CD1 ILE A 53 46.410 13.419 22.626 1.00 21.17 C
ATOM 422 N PHE A 54 42.434 12.587 19.731 1.00 10.01 N
ATOM 423 CA PHE A 54 41.343 12.556 18.761 1.00 9.16 C
ATOM 424 C PHE A 54 41.358 13.853 17.977 1.00 9.50 C
ATOM 425 O PHE A 54 41.250 14.916 18.585 1.00 9.86 O
ATOM 426 CB PHE A 54 39.981 12.418 19.468 1.00 8.45 C
ATOM 427 CG PHE A 54 39.796 11.028 20.050 1.00 10.62 C
ATOM 428 CD1 PHE A 54 40.257 10.741 21.342 1.00 9.47 C
ATOM 429 CD2 PHE A 54 39.162 10.030 19.302 1.00 10.12 C
ATOM 430 CE1 PHE A 54 40.069 9.451 21.874 1.00 8.97 C
ATOM 431 CE2 PHE A 54 38.983 8.752 19.843 1.00 11.33 C
ATOM 432 CZ PHE A 54 39.430 8.456 21.127 1.00 9.21 C
ATOM 433 N LEU A 55 41.523 13.757 16.652 1.00 9.08 N
ATOM 434 CA LEU A 55 41.639 14.859 15.707 1.00 7.86 C
ATOM 435 C LEU A 55 40.444 14.833 14.750 1.00 8.74 C
ATOM 436 O LEU A 55 39.968 13.724 14.446 1.00 6.62 O
ATOM 437 CB LEU A 55 42.909 14.697 14.885 1.00 9.12 C
ATOM 438 CG LEU A 55 44.261 15.347 15.208 1.00 14.86 C
ATOM 439 CD1 LEU A 55 44.566 15.374 16.655 1.00 13.73 C
ATOM 440 CD2 LEU A 55 45.315 14.580 14.460 1.00 15.13 C
ATOM 441 N GLU A 56 39.942 16.017 14.350 1.00 6.96 N
ATOM 442 CA GLU A 56 38.948 16.111 13.285 1.00 10.08 C
ATOM 443 C GLU A 56 39.491 17.007 12.173 1.00 8.09 C
ATOM 444 O GLU A 56 40.008 18.108 12.403 1.00 7.48 O
ATOM 445 CB GLU A 56 37.617 16.697 13.789 1.00 13.50 C
ATOM 446 CG GLU A 56 36.535 16.108 12.922 1.00 22.78 C
ATOM 447 CD GLU A 56 35.210 16.805 12.999 1.00 28.18 C
ATOM 448 OE1 GLU A 56 34.663 16.960 14.100 1.00 32.02 O
ATOM 449 OE2 GLU A 56 34.741 17.186 11.931 1.00 31.60 O
ATOM 450 N VAL A 57 39.387 16.531 10.928 1.00 7.97 N
ATOM 451 CA VAL A 57 39.852 17.243 9.750 1.00 8.56 C
ATOM 452 C VAL A 57 38.634 17.301 8.858 1.00 9.06 C
ATOM 453 O VAL A 57 38.097 16.278 8.426 1.00 11.16 O
ATOM 454 CB VAL A 57 40.957 16.504 9.002 1.00 8.30 C
ATOM 455 CG1 VAL A 57 41.250 17.238 7.726 1.00 9.69 C
ATOM 456 CG2 VAL A 57 42.233 16.463 9.809 1.00 10.03 C
ATOM 457 N ASP A 58 38.136 18.484 8.591 1.00 10.47 N
ATOM 458 CA ASP A 58 37.025 18.650 7.663 1.00 12.84 C
ATOM 459 C ASP A 58 37.681 18.672 6.284 1.00 12.37 C
ATOM 460 O ASP A 58 38.506 19.573 6.019 1.00 12.23 O
ATOM 461 CB ASP A 58 36.339 19.955 7.975 1.00 15.63 C
ATOM 462 CG ASP A 58 35.031 20.098 7.231 1.00 21.74 C
ATOM 463 OD1 ASP A 58 35.053 20.265 6.014 1.00 21.47 O
ATOM 464 OD2 ASP A 58 33.996 20.039 7.889 1.00 27.55 O
ATOM 465 N VAL A 59 37.317 17.755 5.368 1.00 12.08 N
ATOM 466 CA VAL A 59 38.006 17.682 4.078 1.00 13.86 C
ATOM 467 C VAL A 59 37.796 18.914 3.210 1.00 15.88 C
ATOM 468 O VAL A 59 38.635 19.233 2.377 1.00 15.29 O
ATOM 469 CB VAL A 59 37.594 16.378 3.296 1.00 13.73 C
ATOM 470 CG1 VAL A 59 38.026 15.175 4.156 1.00 11.83 C
ATOM 471 CG2 VAL A 59 36.096 16.325 2.975 1.00 13.07 C
ATOM 472 N ASP A 60 36.735 19.676 3.460 1.00 17.80 N
ATOM 473 CA ASP A 60 36.496 20.931 2.761 1.00 23.31 C
ATOM 474 C ASP A 60 37.461 22.004 3.269 1.00 23.96 C
ATOM 475 O ASP A 60 37.979 22.746 2.438 1.00 27.06 O
ATOM 476 CB ASP A 60 35.064 21.436 2.972 1.00 26.24 C
ATOM 477 CG ASP A 60 33.974 20.389 2.737 1.00 31.72 C
ATOM 478 OD1 ASP A 60 33.887 19.884 1.603 1.00 32.31 O
ATOM 479 OD2 ASP A 60 33.238 20.083 3.707 1.00 33.35 O
ATOM 480 N ASP A 61 37.786 22.159 4.558 1.00 22.27 N
ATOM 481 CA ASP A 61 38.768 23.161 4.978 1.00 20.77 C
ATOM 482 C ASP A 61 40.201 22.766 4.694 1.00 20.72 C
ATOM 483 O ASP A 61 41.033 23.610 4.374 1.00 22.13 O
ATOM 484 CB ASP A 61 38.720 23.432 6.459 1.00 19.63 C
ATOM 485 CG ASP A 61 37.374 23.857 6.968 1.00 19.85 C
ATOM 486 OD1 ASP A 61 36.537 24.347 6.210 1.00 21.15 O
ATOM 487 OD2 ASP A 61 37.161 23.674 8.153 1.00 21.04 O
ATOM 488 N CYS A 62 40.539 21.495 4.864 1.00 17.85 N
ATOM 489 CA CYS A 62 41.876 21.054 4.622 1.00 17.75 C
ATOM 490 C CYS A 62 41.968 20.148 3.423 1.00 15.72 C
ATOM 491 O CYS A 62 42.456 19.023 3.522 1.00 15.31 O
ATOM 492 CB CYS A 62 42.415 20.319 5.832 1.00 18.84 C
ATOM 493 SG CYS A 62 42.655 21.456 7.182 1.00 20.23 S
ATOM 494 N GLN A 63 41.628 20.657 2.243 1.00 16.04 N
ATOM 495 CA GLN A 63 41.701 19.864 1.022 1.00 16.19 C
ATOM 496 C GLN A 63 43.080 19.266 0.773 1.00 16.94 C
ATOM 497 O GLN A 63 43.195 18.130 0.324 1.00 15.81 O
ATOM 498 CB GLN A 63 41.295 20.702 -0.158 1.00 16.27 C
ATOM 499 CG GLN A 63 39.815 20.961 -0.062 1.00 19.40 C
ATOM 500 CD GLN A 63 39.199 21.626 -1.291 1.00 24.53 C
ATOM 501 OE1 GLN A 63 39.829 21.755 -2.350 1.00 25.50 O
ATOM 502 NE2 GLN A 63 37.930 22.042 -1.200 1.00 26.00 N
ATOM 503 N ASP A 64 44.145 20.022 1.077 1.00 16.78 N
ATOM 504 CA ASP A 64 45.511 19.518 0.957 1.00 16.30 C
ATOM 505 C ASP A 64 45.810 18.360 1.917 1.00 15.34 C
ATOM 506 O ASP A 64 46.445 17.404 1.462 1.00 14.78 O
ATOM 507 CB ASP A 64 46.500 20.670 1.192 1.00 19.86 C
ATOM 508 CG ASP A 64 46.401 21.457 2.514 1.00 25.28 C
ATOM 509 OD1 ASP A 64 45.331 21.492 3.162 1.00 26.52 O
ATOM 510 OD2 ASP A 64 47.432 22.051 2.877 1.00 28.57 O
ATOM 511 N VAL A 65 45.319 18.360 3.186 1.00 14.37 N
ATOM 512 CA VAL A 65 45.549 17.256 4.136 1.00 12.68 C
ATOM 513 C VAL A 65 44.738 16.047 3.640 1.00 12.71 C
ATOM 514 O VAL A 65 45.249 14.916 3.590 1.00 12.15 O
ATOM 515 CB VAL A 65 45.123 17.680 5.589 1.00 14.61 C
ATOM 516 CG1 VAL A 65 45.291 16.532 6.603 1.00 14.58 C
ATOM 517 CG2 VAL A 65 46.054 18.773 6.088 1.00 14.47 C
ATOM 518 N ALA A 66 43.492 16.281 3.204 1.00 12.81 N
ATOM 519 CA ALA A 66 42.625 15.271 2.609 1.00 13.01 C
ATOM 520 C ALA A 66 43.281 14.578 1.395 1.00 14.12 C
ATOM 521 O ALA A 66 43.367 13.343 1.413 1.00 13.49 O
ATOM 522 CB ALA A 66 41.296 15.927 2.165 1.00 11.73 C
ATOM 523 N SER A 67 43.807 15.291 0.378 1.00 14.24 N
ATOM 524 CA SER A 67 44.495 14.706 -0.785 1.00 16.95 C
ATOM 525 C SER A 67 45.720 13.940 -0.375 1.00 15.74 C
ATOM 526 O SER A 67 45.913 12.823 -0.850 1.00 14.73 O
ATOM 527 CB SER A 67 45.072 15.692 -1.798 1.00 17.08 C
ATOM 528 OG SER A 67 44.167 16.739 -1.984 1.00 24.04 O
ATOM 529 N GLU A 68 46.570 14.503 0.480 1.00 15.52 N
ATOM 530 CA GLU A 68 47.802 13.816 0.855 1.00 17.66 C
ATOM 531 C GLU A 68 47.572 12.575 1.676 1.00 16.01 C
ATOM 532 O GLU A 68 48.325 11.608 1.522 1.00 17.56 O
ATOM 533 CB GLU A 68 48.704 14.777 1.602 1.00 22.25 C
ATOM 534 CG GLU A 68 49.144 15.790 0.522 1.00 31.34 C
ATOM 535 CD GLU A 68 50.064 16.915 0.970 1.00 36.34 C
ATOM 536 OE1 GLU A 68 50.602 16.826 2.081 1.00 41.07 O
ATOM 537 OE2 GLU A 68 50.245 17.864 0.195 1.00 39.45 O
ATOM 538 N CYS A 69 46.503 12.545 2.478 1.00 11.83 N
ATOM 539 CA CYS A 69 46.171 11.328 3.205 1.00 11.79 C
ATOM 540 C CYS A 69 45.335 10.316 2.397 1.00 9.69 C
ATOM 541 O CYS A 69 44.926 9.257 2.891 1.00 8.28 O
ATOM 542 CB CYS A 69 45.455 11.730 4.531 1.00 12.05 C
ATOM 543 SG CYS A 69 46.542 12.567 5.726 1.00 14.13 S
ATOM 544 N GLU A 70 45.107 10.631 1.109 1.00 10.30 N
ATOM 545 CA GLU A 70 44.382 9.804 0.139 1.00 11.53 C
ATOM 546 C GLU A 70 43.006 9.358 0.606 1.00 9.41 C
ATOM 547 O GLU A 70 42.627 8.197 0.506 1.00 11.50 O
ATOM 548 CB GLU A 70 45.233 8.585 -0.223 1.00 14.70 C
ATOM 549 CG GLU A 70 46.648 8.972 -0.690 1.00 22.79 C
ATOM 550 CD GLU A 70 47.345 7.925 -1.536 1.00 27.57 C
ATOM 551 OE1 GLU A 70 47.344 6.750 -1.178 1.00 31.43 O
ATOM 552 OE2 GLU A 70 47.871 8.299 -2.576 1.00 32.26 O
ATOM 553 N VAL A 71 42.267 10.312 1.174 1.00 8.79 N
ATOM 554 CA VAL A 71 40.921 10.069 1.677 1.00 10.13 C
ATOM 555 C VAL A 71 40.023 10.050 0.429 1.00 11.54 C
ATOM 556 O VAL A 71 40.174 10.875 -0.488 1.00 11.75 O
ATOM 557 CB VAL A 71 40.485 11.211 2.656 1.00 12.10 C
ATOM 558 CG1 VAL A 71 38.978 11.133 3.032 1.00 11.76 C
ATOM 559 CG2 VAL A 71 41.341 11.089 3.915 1.00 12.07 C
ATOM 560 N LYS A 72 39.109 9.087 0.423 1.00 11.70 N
ATOM 561 CA LYS A 72 38.154 8.948 -0.653 1.00 15.64 C
ATOM 562 C LYS A 72 36.725 8.708 -0.223 1.00 12.86 C
ATOM 563 O LYS A 72 35.834 8.935 -1.032 1.00 13.34 O
ATOM 564 CB LYS A 72 38.641 7.823 -1.593 1.00 19.91 C
ATOM 565 CG LYS A 72 38.942 6.461 -0.969 1.00 24.47 C
ATOM 566 CD LYS A 72 39.724 5.581 -1.946 1.00 29.84 C
ATOM 567 CE LYS A 72 41.250 5.684 -1.838 1.00 35.01 C
ATOM 568 NZ LYS A 72 41.837 6.880 -2.431 1.00 37.91 N
ATOM 569 N CYS A 73 36.452 8.272 0.988 1.00 13.45 N
ATOM 570 CA CYS A 73 35.115 8.019 1.507 1.00 13.13 C
ATOM 571 C CYS A 73 34.961 8.842 2.783 1.00 14.86 C
ATOM 572 O CYS A 73 35.983 9.244 3.358 1.00 15.76 O
ATOM 573 CB CYS A 73 34.933 6.520 1.814 1.00 13.36 C
ATOM 574 SG CYS A 73 34.900 5.389 0.394 1.00 21.44 S
ATOM 575 N MET A 74 33.763 9.152 3.262 1.00 12.19 N
ATOM 576 CA MET A 74 33.504 9.948 4.455 1.00 14.56 C
ATOM 577 C MET A 74 32.587 9.087 5.308 1.00 12.77 C
ATOM 578 O MET A 74 31.664 8.463 4.765 1.00 12.74 O
ATOM 579 CB MET A 74 32.661 11.225 4.284 1.00 19.87 C
ATOM 580 CG MET A 74 32.854 12.204 3.161 1.00 25.93 C
ATOM 581 SD MET A 74 34.584 12.647 3.263 1.00 34.34 S
ATOM 582 CE MET A 74 34.999 12.023 1.669 1.00 26.19 C
ATOM 583 N PRO A 75 32.780 8.984 6.635 1.00 11.27 N
ATOM 584 CA PRO A 75 34.010 9.353 7.341 1.00 9.68 C
ATOM 585 C PRO A 75 35.106 8.307 7.072 1.00 9.23 C
ATOM 586 O PRO A 75 34.831 7.137 6.746 1.00 9.34 O
ATOM 587 CB PRO A 75 33.583 9.429 8.799 1.00 6.30 C
ATOM 588 CG PRO A 75 32.590 8.312 8.900 1.00 8.53 C
ATOM 589 CD PRO A 75 31.792 8.509 7.617 1.00 10.70 C
ATOM 590 N THR A 76 36.354 8.727 7.125 1.00 6.05 N
ATOM 591 CA THR A 76 37.461 7.777 7.107 1.00 6.96 C
ATOM 592 C THR A 76 38.182 8.001 8.451 1.00 6.61 C
ATOM 593 O THR A 76 38.346 9.158 8.863 1.00 7.27 O
ATOM 594 CB THR A 76 38.415 8.052 5.914 1.00 6.79 C
ATOM 595 OG1 THR A 76 37.777 7.527 4.778 1.00 9.67 O
ATOM 596 CG2 THR A 76 39.802 7.399 6.031 1.00 10.60 C
ATOM 597 N PHE A 77 38.616 6.953 9.139 1.00 5.88 N
ATOM 598 CA PHE A 77 39.339 7.113 10.377 1.00 6.78 C
ATOM 599 C PHE A 77 40.726 6.611 10.088 1.00 6.31 C
ATOM 600 O PHE A 77 40.852 5.503 9.577 1.00 8.57 O
ATOM 601 CB PHE A 77 38.702 6.285 11.475 1.00 5.96 C
ATOM 602 CG PHE A 77 37.298 6.758 11.784 1.00 6.08 C
ATOM 603 CD1 PHE A 77 37.096 7.875 12.562 1.00 7.44 C
ATOM 604 CD2 PHE A 77 36.219 6.080 11.237 1.00 8.27 C
ATOM 605 CE1 PHE A 77 35.801 8.327 12.792 1.00 11.51 C
ATOM 606 CE2 PHE A 77 34.926 6.522 11.460 1.00 9.85 C
ATOM 607 CZ PHE A 77 34.709 7.655 12.244 1.00 10.99 C
ATOM 608 N GLN A 78 41.760 7.402 10.302 1.00 6.48 N
ATOM 609 CA GLN A 78 43.124 6.916 10.156 1.00 6.74 C
ATOM 610 C GLN A 78 43.742 6.930 11.559 1.00 7.05 C
ATOM 611 O GLN A 78 43.446 7.795 12.386 1.00 7.61 O
ATOM 612 CB GLN A 78 43.959 7.793 9.244 1.00 5.90 C
ATOM 613 CG GLN A 78 43.412 7.685 7.828 1.00 8.54 C
ATOM 614 CD GLN A 78 44.215 8.340 6.738 1.00 7.67 C
ATOM 615 OE1 GLN A 78 45.144 9.104 6.955 1.00 10.59 O
ATOM 616 NE2 GLN A 78 43.872 8.056 5.496 1.00 11.09 N
ATOM 617 N PHE A 79 44.593 5.944 11.817 1.00 8.54 N
ATOM 618 CA PHE A 79 45.197 5.725 13.126 1.00 8.94 C
ATOM 619 C PHE A 79 46.698 5.874 12.967 1.00 8.16 C
ATOM 620 O PHE A 79 47.277 5.307 12.040 1.00 10.37 O
ATOM 621 CB PHE A 79 44.848 4.313 13.614 1.00 9.21 C
ATOM 622 CG PHE A 79 43.359 4.068 13.800 1.00 9.79 C
ATOM 623 CD1 PHE A 79 42.541 3.786 12.701 1.00 11.15 C
ATOM 624 CD2 PHE A 79 42.827 4.183 15.070 1.00 11.19 C
ATOM 625 CE1 PHE A 79 41.170 3.627 12.887 1.00 13.68 C
ATOM 626 CE2 PHE A 79 41.452 4.025 15.251 1.00 13.10 C
ATOM 627 CZ PHE A 79 40.621 3.748 14.165 1.00 11.73 C
ATOM 628 N PHE A 80 47.374 6.618 13.822 1.00 9.20 N
ATOM 629 CA PHE A 80 48.800 6.872 13.700 1.00 10.41 C
ATOM 630 C PHE A 80 49.453 6.605 15.042 1.00 9.97 C
ATOM 631 O PHE A 80 48.860 6.834 16.099 1.00 8.53 O
ATOM 632 CB PHE A 80 49.094 8.350 13.323 1.00 11.62 C
ATOM 633 CG PHE A 80 48.584 8.798 11.945 1.00 10.84 C
ATOM 634 CD1 PHE A 80 47.258 9.190 11.773 1.00 11.21 C
ATOM 635 CD2 PHE A 80 49.453 8.797 10.857 1.00 11.69 C
ATOM 636 CE1 PHE A 80 46.810 9.574 10.513 1.00 12.12 C
ATOM 637 CE2 PHE A 80 49.005 9.179 9.597 1.00 13.06 C
ATOM 638 CZ PHE A 80 47.682 9.566 9.431 1.00 13.80 C
ATOM 639 N LYS A 81 50.674 6.120 14.995 1.00 11.61 N
ATOM 640 CA LYS A 81 51.434 5.943 16.197 1.00 16.55 C
ATOM 641 C LYS A 81 52.816 6.343 15.782 1.00 18.80 C
ATOM 642 O LYS A 81 53.316 5.846 14.764 1.00 19.26 O
ATOM 643 CB LYS A 81 51.407 4.495 16.603 1.00 20.55 C
ATOM 644 CG LYS A 81 51.265 4.482 18.098 1.00 27.72 C
ATOM 645 CD LYS A 81 50.867 3.073 18.527 1.00 31.93 C
ATOM 646 CE LYS A 81 50.555 3.081 20.011 1.00 33.96 C
ATOM 647 NZ LYS A 81 49.430 3.969 20.241 1.00 38.35 N
ATOM 648 N LYS A 82 53.422 7.291 16.493 1.00 21.39 N
ATOM 649 CA LYS A 82 54.778 7.784 16.198 1.00 24.21 C
ATOM 650 C LYS A 82 54.950 8.183 14.737 1.00 23.01 C
ATOM 651 O LYS A 82 55.835 7.749 14.002 1.00 23.71 O
ATOM 652 CB LYS A 82 55.794 6.703 16.578 1.00 27.41 C
ATOM 653 CG LYS A 82 55.861 6.508 18.085 1.00 34.10 C
ATOM 654 CD LYS A 82 56.767 5.304 18.422 1.00 42.60 C
ATOM 655 CE LYS A 82 56.952 5.102 19.949 1.00 45.98 C
ATOM 656 NZ LYS A 82 57.761 3.937 20.303 1.00 48.31 N
ATOM 657 N GLY A 83 53.976 8.956 14.276 1.00 22.66 N
ATOM 658 CA GLY A 83 53.956 9.505 12.941 1.00 21.49 C
ATOM 659 C GLY A 83 53.670 8.509 11.835 1.00 22.18 C
ATOM 660 O GLY A 83 53.534 8.961 10.691 1.00 23.48 O
ATOM 661 N GLN A 84 53.547 7.205 12.105 1.00 21.00 N
ATOM 662 CA GLN A 84 53.314 6.202 11.073 1.00 21.53 C
ATOM 663 C GLN A 84 51.831 5.810 11.058 1.00 18.42 C
ATOM 664 O GLN A 84 51.250 5.648 12.133 1.00 15.73 O
ATOM 665 CB GLN A 84 54.188 4.983 11.377 1.00 27.75 C
ATOM 666 CG GLN A 84 54.498 4.156 10.121 1.00 40.83 C
ATOM 667 CD GLN A 84 55.100 2.749 10.314 1.00 47.50 C
ATOM 668 OE1 GLN A 84 55.108 1.947 9.365 1.00 50.95 O
ATOM 669 NE2 GLN A 84 55.622 2.340 11.478 1.00 50.95 N
ATOM 670 N LYS A 85 51.168 5.646 9.901 1.00 16.99 N
ATOM 671 CA LYS A 85 49.771 5.223 9.835 1.00 15.39 C
ATOM 672 C LYS A 85 49.719 3.731 10.116 1.00 15.07 C
ATOM 673 O LYS A 85 50.360 2.945 9.419 1.00 17.49 O
ATOM 674 CB LYS A 85 49.177 5.496 8.444 1.00 15.63 C
ATOM 675 CG LYS A 85 47.714 5.029 8.371 1.00 15.55 C
ATOM 676 CD LYS A 85 46.970 5.678 7.247 1.00 19.91 C
ATOM 677 CE LYS A 85 47.482 5.093 5.942 1.00 22.73 C
ATOM 678 NZ LYS A 85 46.979 5.834 4.795 1.00 27.82 N
ATOM 679 N VAL A 86 49.022 3.311 11.149 1.00 14.33 N
ATOM 680 CA VAL A 86 48.957 1.909 11.557 1.00 14.28 C
ATOM 681 C VAL A 86 47.583 1.300 11.385 1.00 13.86 C
ATOM 682 O VAL A 86 47.396 0.148 11.789 1.00 14.99 O
ATOM 683 CB VAL A 86 49.360 1.702 13.044 1.00 12.18 C
ATOM 684 CG1 VAL A 86 50.828 1.989 13.190 1.00 14.33 C
ATOM 685 CG2 VAL A 86 48.596 2.630 13.973 1.00 12.90 C
ATOM 686 N GLY A 87 46.584 2.014 10.875 1.00 13.02 N
ATOM 687 CA GLY A 87 45.243 1.443 10.642 1.00 11.96 C
ATOM 688 C GLY A 87 44.366 2.448 9.888 1.00 10.06 C
ATOM 689 O GLY A 87 44.645 3.651 9.890 1.00 9.04 O
ATOM 690 N GLU A 88 43.291 1.993 9.269 1.00 9.58 N
ATOM 691 CA GLU A 88 42.431 2.866 8.516 1.00 9.65 C
ATOM 692 C GLU A 88 41.212 2.085 8.153 1.00 10.12 C
ATOM 693 O GLU A 88 41.375 0.911 7.783 1.00 11.07 O
ATOM 694 CB GLU A 88 43.096 3.297 7.216 1.00 11.03 C
ATOM 695 CG GLU A 88 42.254 4.164 6.301 1.00 16.11 C
ATOM 696 CD GLU A 88 42.982 4.747 5.106 1.00 17.45 C
ATOM 697 OE1 GLU A 88 44.155 4.436 4.905 1.00 19.92 O
ATOM 698 OE2 GLU A 88 42.372 5.527 4.378 1.00 23.57 O
ATOM 699 N PHE A 89 40.042 2.700 8.275 1.00 7.33 N
ATOM 700 CA PHE A 89 38.860 2.120 7.657 1.00 9.33 C