HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-MAR-08 3CFY

TITLE CRYSTAL STRUCTURE OF SIGNAL RECEIVER DOMAIN OF PUTATIVE

TITLE 2 LUXO REPRESSOR PROTEIN FROM VIBRIO PARAHAEMOLYTICUS

COMPND MOL_ID: 1;

COMPND 2 MOLECULE: PUTATIVE LUXO REPRESSOR PROTEIN;

COMPND 3 CHAIN: A;

COMPND 4 FRAGMENT: SIGNAL RECEIVER DOMAIN: RESIDUES 2-128;

COMPND 5 ENGINEERED: YES

SOURCE MOL_ID: 1;

SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633;

SOURCE 3 ORGANISM_COMMON: BACTERIA;

SOURCE 4 STRAIN: RIMD 2210633 / SEROTYPE O3:K6;

SOURCE 5 GENE: VP1469;

SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;

SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET;

SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BC-PSGX3(BC)

KEYWDS STRUCTURAL GENOMICS, UNKNOWN FUNCTION, UNCHARACTERIZED

KEYWDS 2 PROTEIN, SIGNAL RECEIVER DOMAIN, AAA-ATPASE, PROTEIN

KEYWDS 3 STRUCTURE INITIATIVE, PSI-2, NEW YORK STRUCTURAL GENOMIX

KEYWDS 4 RESEARCH CONSORTIUM, NYSGXRC, ATP-BINDING, DNA-BINDING,

KEYWDS 5 NUCLEOTIDE-BINDING, TRANSCRIPTION, TRANSCRIPTION REGULATION

EXPDTA X-RAY DIFFRACTION

AUTHOR Y.PATSKOVSKY,U.A.RAMAGOPAL,R.FONG,J.FREEMAN,M.IIZUKA,

AUTHOR 2 C.GROSHONG,D.SMITH,S.R.WASSERMAN,J.M.SAUDER,S.K.BURLEY,

AUTHOR 3 S.C.ALMO,NEW YORK STRUCTURAL GENOMIX RESEARCH CONSORTIUM

AUTHOR 4 (NYSGXRC)

REVDAT 1 18-MAR-08 3CFY 0

JRNL AUTH Y.PATSKOVSKY,U.A.RAMAGOPAL,R.FONG,J.FREEMAN,

JRNL AUTH 2 M.IIZUKA,C.GROSHONG,D.SMITH,S.R.WASSERMAN,

JRNL AUTH 3 J.M.SAUDER,S.K.BURLEY,S.C.ALMO

JRNL TITL CRYSTAL STRUCTURE OF SIGNAL RECEIVER DOMAIN OF

JRNL TITL 2 PUTATIVE LUXO REPRESSOR PROTEIN FROM VIBRIO

JRNL TITL 3 PARAHAEMOLYTICUS.

JRNL REF TO BE PUBLISHED

JRNL REFN

REMARK 1

REMARK 2

REMARK 2 RESOLUTION. 2.50 ANGSTROMS.

REMARK 3

REMARK 3 REFINEMENT.

REMARK 3 PROGRAM : REFMAC 5.3.0034

REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON

REMARK 3

REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00

REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL

REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5

REMARK 3 NUMBER OF REFLECTIONS : 5965

REMARK 3

REMARK 3 FIT TO DATA USED IN REFINEMENT.

REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT

REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM

REMARK 3 R VALUE (WORKING + TEST SET) : 0.248

REMARK 3 R VALUE (WORKING SET) : 0.246

REMARK 3 FREE R VALUE : 0.291

REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.700

REMARK 3 FREE R VALUE TEST SET COUNT : 167

REMARK 3

REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

REMARK 3 TOTAL NUMBER OF BINS USED : 20

REMARK 3 BIN RESOLUTION RANGE HIGH : 2.50

REMARK 3 BIN RESOLUTION RANGE LOW : 2.56

REMARK 3 REFLECTION IN BIN (WORKING SET) : 421

REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00

REMARK 3 BIN R VALUE (WORKING SET) : 0.4000

REMARK 3 BIN FREE R VALUE SET COUNT : 17

REMARK 3 BIN FREE R VALUE : 0.3670

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK 3 ALL ATOMS : 1061

REMARK 3

REMARK 3 B VALUES.

REMARK 3 FROM WILSON PLOT (A**2) : NULL

REMARK 3 MEAN B VALUE (OVERALL, A**2) : 80.43

REMARK 3 OVERALL ANISOTROPIC B VALUE.

REMARK 3 B11 (A**2) : -3.38000

REMARK 3 B22 (A**2) : -3.38000

REMARK 3 B33 (A**2) : 6.76000

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 OVERALL COORDINATE ERROR.

REMARK 3 ESU BASED ON R VALUE (A): 0.489

REMARK 3 ESU BASED ON FREE R VALUE (A): 0.310

REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.297

REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 15.227

REMARK 3

REMARK 3 CORRELATION COEFFICIENTS.

REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.941

REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.912

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1062 ; 0.007 ; 0.022

REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL

REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1442 ; 1.185 ; 1.987

REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL

REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 133 ; 4.930 ; 5.000

REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 49 ;37.357 ;25.306

REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 200 ;20.373 ;15.000

REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;12.296 ;15.000

REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 170 ; 0.075 ; 0.200

REMARK 3 GENERAL PLANES REFINED ATOMS (A): 785 ; 0.003 ; 0.020

REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL

REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 470 ; 0.125 ; 0.300

REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL

REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 714 ; 0.294 ; 0.500

REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL

REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 51 ; 0.162 ; 0.500

REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL

REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL

REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL

REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 18 ; 0.106 ; 0.300

REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL

REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 4 ; 0.172 ; 0.500

REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL

REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL

REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL

REMARK 3

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 672 ; 3.652 ; 2.000

REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL

REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1066 ; 6.237 ; 3.000

REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 426 ; 6.029 ; 3.000

REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 374 ; 9.683 ; 5.000

REMARK 3

REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL

REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL

REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL

REMARK 3

REMARK 3 NCS RESTRAINTS STATISTICS

REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 0

REMARK 3

REMARK 3 TLS DETAILS

REMARK 3 NUMBER OF TLS GROUPS : 0

REMARK 3

REMARK 3 BULK SOLVENT MODELLING.

REMARK 3 METHOD USED : MASK

REMARK 3 PARAMETERS FOR MASK CALCULATION

REMARK 3 VDW PROBE RADIUS : 1.20

REMARK 3 ION PROBE RADIUS : 0.80

REMARK 3 SHRINKAGE RADIUS : 0.80

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE

REMARK 3 RIDING POSITIONS

REMARK 4

REMARK 4 3CFY COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007

REMARK 100

REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.

REMARK 100 THE RCSB ID CODE IS RCSB046728.

REMARK 200

REMARK 200 EXPERIMENTAL DETAILS

REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION

REMARK 200 DATE OF DATA COLLECTION : 15-DEC-2007

REMARK 200 TEMPERATURE (KELVIN) : 77.0

REMARK 200 PH : 7.50

REMARK 200 NUMBER OF CRYSTALS USED : 1

REMARK 200

REMARK 200 SYNCHROTRON (Y/N) : Y

REMARK 200 RADIATION SOURCE : APS

REMARK 200 BEAMLINE : 31-ID

REMARK 200 X-RAY GENERATOR MODEL : NULL

REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M

REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793

REMARK 200 MONOCHROMATOR : DIAMOND

REMARK 200 OPTICS : NULL

REMARK 200

REMARK 200 DETECTOR TYPE : CCD

REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM

REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000

REMARK 200 DATA SCALING SOFTWARE : HKL-2000

REMARK 200

REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8444

REMARK 200 RESOLUTION RANGE HIGH (A) : 2.250

REMARK 200 RESOLUTION RANGE LOW (A) : 50.000

REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -0.500

REMARK 200

REMARK 200 OVERALL.

REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3

REMARK 200 DATA REDUNDANCY : 7.400

REMARK 200 R MERGE (I) : 0.06100

REMARK 200 R SYM (I) : NULL

REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 6.1000

REMARK 200

REMARK 200 IN THE HIGHEST RESOLUTION SHELL.

REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25

REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.33

REMARK 200 COMPLETENESS FOR SHELL (%) : 98.4

REMARK 200 DATA REDUNDANCY IN SHELL : 5.60

REMARK 200 R MERGE FOR SHELL (I) : 0.82000

REMARK 200 R SYM FOR SHELL (I) : NULL

REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.100

REMARK 200

REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH

REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD

REMARK 200 SOFTWARE USED: SHELXD

REMARK 200 STARTING MODEL: NULL

REMARK 200

REMARK 200 REMARK: NULL

REMARK 280

REMARK 280 CRYSTAL

REMARK 280 SOLVENT CONTENT, VS (%): 53.14

REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.62

REMARK 280

REMARK 280 CRYSTALLIZATION CONDITIONS: 2.2M AMMONIUM SULFATE PH 7.5, 100MM

REMARK 280 SODIUM/POTASSIUM TARTRATE, 10% GLYCEROL, VAPOR DIFFUSION,

REMARK 280 SITTING DROP, TEMPERATURE 294K

REMARK 290

REMARK 290 CRYSTALLOGRAPHIC SYMMETRY

REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 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 1/2-Y,1/2+X,1/2+Z

REMARK 290 4555 1/2+Y,1/2-X,1/2+Z

REMARK 290 5555 1/2-X,1/2+Y,1/2-Z

REMARK 290 6555 1/2+X,1/2-Y,1/2-Z

REMARK 290 7555 Y,X,-Z

REMARK 290 8555 -Y,-X,-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 29.10150

REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.10150

REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 48.34600

REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.10150

REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.10150

REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 48.34600

REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.10150

REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.10150

REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 48.34600

REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.10150

REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.10150

REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 48.34600

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

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 300

REMARK 300 REMARK: AUTHORS STATE THAT THE MONOMERIC ASSEMBLY OF THE

REMARK 300 BIOLOGICAL UNIT THAT IS SHOWN IN REMARK 350 IS PUTATIVE AT

REMARK 300 THE TIME OF DEPOSITION.

REMARK 350

REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN

REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE

REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS

REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND

REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.

REMARK 350

REMARK 350 BIOMOLECULE: 1

REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC

REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC

REMARK 350 SOFTWARE USED: PISA

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 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; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)

REMARK 465

REMARK 465 M RES C SSEQI

REMARK 465 MET A -1

REMARK 465 SER A 0

REMARK 465 HIS A 131

REMARK 465 HIS A 132

REMARK 465 HIS A 133

REMARK 465 HIS A 134

REMARK 465 HIS A 135

REMARK 470

REMARK 470 MISSING ATOM

REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;

REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;

REMARK 470 I=INSERTION CODE):

REMARK 470 M RES CSSEQI ATOMS

REMARK 470 THR A 12 CB OG1 CG2

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 PRO A 26 46.93 -80.43

REMARK 500 ARG A 44 -68.35 -92.65

REMARK 500 LYS A 46 70.11 51.49

REMARK 500 GLU A 128 59.63 -111.07

REMARK 500

REMARK 500 REMARK: NULL

REMARK 900

REMARK 900 RELATED ENTRIES

REMARK 900 RELATED ID: NYSGXRC-11019X RELATED DB: TARGETDB

DBREF 3CFY A 2 128 UNP Q87PN2 Q87PN2_VIBPA 2 128

SEQADV 3CFY MET A -1 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY SER A 0 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY LEU A 1 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY GLY A 129 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 130 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 131 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 132 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 133 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 134 UNP Q87PN2 EXPRESSION TAG

SEQADV 3CFY HIS A 135 UNP Q87PN2 EXPRESSION TAG

SEQRES 1 A 137 MET SER LEU ARG PRO ARG VAL LEU LEU VAL GLU ASP SER

SEQRES 2 A 137 THR SER LEU ALA ILE LEU TYR LYS GLN TYR VAL LYS ASP

SEQRES 3 A 137 GLU PRO TYR ASP ILE PHE HIS VAL GLU THR GLY ARG ASP

SEQRES 4 A 137 ALA ILE GLN PHE ILE GLU ARG SER LYS PRO GLN LEU ILE

SEQRES 5 A 137 ILE LEU ASP LEU LYS LEU PRO ASP MET SER GLY GLU ASP

SEQRES 6 A 137 VAL LEU ASP TRP ILE ASN GLN ASN ASP ILE PRO THR SER

SEQRES 7 A 137 VAL ILE ILE ALA THR ALA HIS GLY SER VAL ASP LEU ALA

SEQRES 8 A 137 VAL ASN LEU ILE GLN LYS GLY ALA GLU ASP PHE LEU GLU

SEQRES 9 A 137 LYS PRO ILE ASN ALA ASP ARG LEU LYS THR SER VAL ALA

SEQRES 10 A 137 LEU HIS LEU LYS ARG ALA LYS LEU GLU ASP LEU VAL GLU

SEQRES 11 A 137 GLY HIS HIS HIS HIS HIS HIS

FORMUL 2 HOH *18(H2 O)

HELIX 1 1 SER A 13 VAL A 22 1 10

HELIX 2 2 THR A 34 LYS A 46 1 13

HELIX 3 3 SER A 60 ASN A 71 1 12

HELIX 4 4 SER A 85 LYS A 95 1 11

HELIX 5 5 ASN A 106 LEU A 126 1 21

SHEET 1 A 5 ASP A 28 VAL A 32 0

SHEET 2 A 5 ARG A 4 VAL A 8 1 N VAL A 5 O ASP A 28

SHEET 3 A 5 LEU A 49 LEU A 52 1 O ILE A 51 N LEU A 6

SHEET 4 A 5 SER A 76 THR A 81 1 O ILE A 78 N LEU A 52

SHEET 5 A 5 ASP A 99 GLU A 102 1 O LEU A 101 N ILE A 79

CISPEP 1 LYS A 103 PRO A 104 0 0.12

CISPEP 2 LYS A 103 PRO A 104 0 0.09

CRYST1 58.203 58.203 96.692 90.00 90.00 90.00 P 42 21 2 8

ORIGX1 1.000000 0.000000 0.000000 0.00000

ORIGX2 0.000000 1.000000 0.000000 0.00000

ORIGX3 0.000000 0.000000 1.000000 0.00000

SCALE1 0.017181 0.000000 0.000000 0.00000

SCALE2 0.000000 0.017181 0.000000 0.00000

SCALE3 0.000000 0.000000 0.010342 0.00000

ATOM 1 N LEU A 1 5.421 -9.212 29.578 1.00114.23 N

ATOM 2 CA LEU A 1 5.705 -10.631 29.209 1.00115.29 C

ATOM 3 C LEU A 1 6.095 -10.758 27.732 1.00112.19 C

ATOM 4 O LEU A 1 7.178 -11.252 27.407 1.00112.51 O

ATOM 5 CB LEU A 1 4.495 -11.525 29.527 1.00118.17 C

ATOM 6 CG LEU A 1 4.063 -11.703 30.990 1.00119.94 C

ATOM 7 CD1 LEU A 1 2.575 -12.024 31.082 1.00116.28 C

ATOM 8 CD2 LEU A 1 4.897 -12.769 31.700 1.00119.52 C

ATOM 9 N ARG A 2 5.204 -10.301 26.851 1.00105.45 N

ATOM 10 CA ARG A 2 5.387 -10.386 25.401 1.00 92.23 C

ATOM 11 C ARG A 2 6.029 -9.107 24.860 1.00 84.74 C

ATOM 12 O ARG A 2 5.536 -8.013 25.132 1.00 84.92 O

ATOM 13 CB ARG A 2 4.036 -10.639 24.722 1.00 89.40 C

ATOM 14 CG ARG A 2 4.085 -10.856 23.217 1.00 82.60 C

ATOM 15 CD ARG A 2 2.779 -11.454 22.741 1.00 82.62 C

ATOM 16 NE ARG A 2 2.562 -11.274 21.308 1.00 89.35 N

ATOM 17 CZ ARG A 2 2.671 -12.235 20.394 1.00 91.30 C

ATOM 18 NH1 ARG A 2 2.444 -11.958 19.114 1.00 87.91 N

ATOM 19 NH2 ARG A 2 3.001 -13.472 20.750 1.00 83.69 N

ATOM 20 N PRO A 3 7.142 -9.244 24.111 1.00 79.58 N

ATOM 21 CA PRO A 3 7.874 -8.133 23.478 1.00 75.41 C

ATOM 22 C PRO A 3 7.067 -7.311 22.468 1.00 71.03 C

ATOM 23 O PRO A 3 6.215 -7.857 21.766 1.00 69.13 O

ATOM 24 CB PRO A 3 9.030 -8.838 22.760 1.00 72.75 C

ATOM 25 CG PRO A 3 9.193 -10.127 23.481 1.00 79.31 C

ATOM 26 CD PRO A 3 7.807 -10.535 23.864 1.00 78.18 C

ATOM 27 N ARG A 4 7.348 -6.007 22.423 1.00 68.52 N

ATOM 28 CA ARG A 4 6.775 -5.081 21.447 1.00 69.07 C

ATOM 29 C ARG A 4 7.848 -4.620 20.471 1.00 67.77 C

ATOM 30 O ARG A 4 8.930 -4.203 20.886 1.00 73.01 O

ATOM 31 CB ARG A 4 6.225 -3.838 22.141 1.00 71.56 C

ATOM 32 CG ARG A 4 4.871 -3.984 22.785 1.00 83.74 C

ATOM 33 CD ARG A 4 4.335 -2.602 23.142 1.00 95.55 C

ATOM 34 NE ARG A 4 3.731 -2.566 24.472 1.00107.46 N

ATOM 35 CZ ARG A 4 4.411 -2.403 25.606 1.00114.26 C

ATOM 36 NH1 ARG A 4 3.764 -2.386 26.762 1.00121.70 N

ATOM 37 NH2 ARG A 4 5.734 -2.260 25.594 1.00108.46 N

ATOM 38 N VAL A 5 7.544 -4.686 19.179 1.00 61.96 N

ATOM 39 CA VAL A 5 8.454 -4.203 18.143 1.00 51.37 C

ATOM 40 C VAL A 5 7.777 -3.047 17.416 1.00 53.09 C

ATOM 41 O VAL A 5 6.635 -3.180 16.982 1.00 56.14 O

ATOM 42 CB VAL A 5 8.848 -5.345 17.164 1.00 49.96 C

ATOM 43 CG1 VAL A 5 9.509 -4.807 15.887 1.00 48.50 C

ATOM 44 CG2 VAL A 5 9.774 -6.323 17.852 1.00 40.36 C

ATOM 45 N LEU A 6 8.460 -1.904 17.325 1.00 51.52 N

ATOM 46 CA LEU A 6 7.974 -0.780 16.515 1.00 53.23 C

ATOM 47 C LEU A 6 8.663 -0.757 15.156 1.00 49.59 C

ATOM 48 O LEU A 6 9.854 -1.024 15.051 1.00 57.61 O

ATOM 49 CB LEU A 6 8.157 0.562 17.234 1.00 46.71 C

ATOM 50 CG LEU A 6 7.633 1.832 16.539 1.00 48.45 C

ATOM 51 CD1 LEU A 6 6.109 1.829 16.344 1.00 31.16 C

ATOM 52 CD2 LEU A 6 8.092 3.088 17.269 1.00 50.32 C

ATOM 53 N LEU A 7 7.892 -0.437 14.126 1.00 48.72 N

ATOM 54 CA LEU A 7 8.366 -0.378 12.759 1.00 47.94 C

ATOM 55 C LEU A 7 8.111 1.036 12.303 1.00 51.13 C

ATOM 56 O LEU A 7 6.964 1.481 12.297 1.00 56.13 O

ATOM 57 CB LEU A 7 7.523 -1.319 11.912 1.00 53.83 C

ATOM 58 CG LEU A 7 8.093 -2.237 10.837 1.00 60.52 C

ATOM 59 CD1 LEU A 7 6.915 -2.899 10.148 1.00 51.30 C

ATOM 60 CD2 LEU A 7 8.960 -1.496 9.833 1.00 60.01 C

ATOM 61 N VAL A 8 9.166 1.756 11.937 1.00 52.49 N

ATOM 62 CA VAL A 8 9.024 3.157 11.527 1.00 51.12 C

ATOM 63 C VAL A 8 9.321 3.307 10.038 1.00 60.28 C

ATOM 64 O VAL A 8 10.475 3.426 9.645 1.00 62.53 O

ATOM 65 CB VAL A 8 9.933 4.093 12.356 1.00 47.24 C

ATOM 66 CG1 VAL A 8 9.609 5.541 12.064 1.00 41.62 C

ATOM 67 CG2 VAL A 8 9.773 3.815 13.844 1.00 41.00 C

ATOM 68 N GLU A 9 8.270 3.288 9.220 1.00 68.77 N

ATOM 69 CA GLU A 9 8.401 3.343 7.762 1.00 79.82 C

ATOM 70 C GLU A 9 7.422 4.325 7.146 1.00 82.15 C

ATOM 71 O GLU A 9 6.223 4.251 7.411 1.00 83.53 O

ATOM 72 CB GLU A 9 8.146 1.961 7.147 1.00 87.08 C

ATOM 73 CG GLU A 9 9.355 1.036 7.082 1.00102.29 C

ATOM 74 CD GLU A 9 10.309 1.355 5.938 1.00115.23 C

ATOM 75 OE1 GLU A 9 9.876 1.937 4.916 1.00116.62 O

ATOM 76 OE2 GLU A 9 11.502 1.010 6.065 1.00119.45 O

ATOM 77 N ASP A 10 7.934 5.234 6.317 1.00 88.06 N

ATOM 78 CA ASP A 10 7.083 6.115 5.510 1.00 92.75 C

ATOM 79 C ASP A 10 6.344 5.326 4.424 1.00 93.76 C

ATOM 80 O ASP A 10 5.163 5.567 4.170 1.00 96.69 O

ATOM 81 CB ASP A 10 7.877 7.296 4.915 1.00 95.85 C

ATOM 82 CG ASP A 10 9.065 6.861 4.042 1.00104.14 C

ATOM 83 OD1 ASP A 10 9.584 5.734 4.206 1.00104.24 O

ATOM 84 OD2 ASP A 10 9.489 7.672 3.188 1.00108.53 O

ATOM 85 N SER A 11 7.044 4.375 3.808 1.00 95.16 N

ATOM 86 CA SER A 11 6.450 3.462 2.841 1.00 96.88 C

ATOM 87 C SER A 11 5.642 2.392 3.567 1.00 97.48 C

ATOM 88 O SER A 11 6.141 1.296 3.850 1.00 97.74 O

ATOM 89 CB SER A 11 7.531 2.821 1.966 1.00 97.62 C

ATOM 90 OG SER A 11 6.999 1.753 1.199 1.00 99.62 O

ATOM 91 N THR A 12 4.383 2.714 3.849 1.00 99.68 N

ATOM 92 CA THR A 12 3.496 1.827 4.598 1.00103.80 C

ATOM 93 C THR A 12 2.942 0.642 3.824 1.00105.11 C

ATOM 94 O THR A 12 2.027 -0.035 4.296 1.00105.72 O

ATOM 95 N SER A 13 3.480 0.411 2.629 1.00104.89 N

ATOM 96 CA SER A 13 3.207 -0.795 1.861 1.00101.28 C

ATOM 97 C SER A 13 4.265 -1.834 2.224 1.00 99.27 C

ATOM 98 O SER A 13 3.968 -3.026 2.343 1.00103.12 O

ATOM 99 CB SER A 13 3.234 -0.496 0.359 1.00101.81 C

ATOM 100 OG SER A 13 2.481 0.668 0.051 1.00 99.55 O

ATOM 101 N LEU A 14 5.495 -1.358 2.422 1.00 93.47 N

ATOM 102 CA LEU A 14 6.635 -2.196 2.801 1.00 90.17 C

ATOM 103 C LEU A 14 6.558 -2.646 4.262 1.00 93.85 C

ATOM 104 O LEU A 14 7.140 -3.665 4.647 1.00 93.30 O

ATOM 105 CB LEU A 14 7.936 -1.431 2.552 1.00 84.12 C

ATOM 106 CG LEU A 14 9.273 -2.172 2.595 1.00 78.66 C

ATOM 107 CD1 LEU A 14 9.318 -3.344 1.622 1.00 81.95 C

ATOM 108 CD2 LEU A 14 10.403 -1.206 2.312 1.00 77.15 C

ATOM 109 N ALA A 15 5.832 -1.871 5.063 1.00 95.32 N

ATOM 110 CA ALA A 15 5.601 -2.174 6.468 1.00 94.39 C

ATOM 111 C ALA A 15 4.743 -3.415 6.676 1.00 96.26 C

ATOM 112 O ALA A 15 4.994 -4.188 7.600 1.00100.08 O

ATOM 113 CB ALA A 15 4.961 -1.002 7.133 1.00 91.14 C

ATOM 114 N ILE A 16 3.733 -3.599 5.827 1.00 96.71 N

ATOM 115 CA ILE A 16 2.846 -4.764 5.920 1.00100.07 C

ATOM 116 C ILE A 16 3.583 -6.037 5.490 1.00 98.59 C

ATOM 117 O ILE A 16 3.317 -7.119 6.016 1.00 99.41 O

ATOM 118 CB ILE A 16 1.530 -4.591 5.102 1.00102.33 C

ATOM 119 CG1 ILE A 16 0.996 -3.159 5.210 1.00103.20 C

ATOM 120 CG2 ILE A 16 0.455 -5.586 5.572 1.00105.55 C

ATOM 121 CD1 ILE A 16 0.010 -2.793 4.125 1.00 98.41 C

ATOM 122 N LEU A 17 4.515 -5.892 4.546 1.00 97.02 N

ATOM 123 CA LEU A 17 5.389 -6.988 4.128 1.00 93.78 C

ATOM 124 C LEU A 17 6.325 -7.392 5.265 1.00 95.20 C

ATOM 125 O LEU A 17 6.600 -8.579 5.469 1.00 94.82 O

ATOM 126 CB LEU A 17 6.203 -6.588 2.895 1.00 90.04 C

ATOM 127 CG LEU A 17 7.306 -7.556 2.451 1.00 91.06 C

ATOM 128 CD1 LEU A 17 6.725 -8.872 1.932 1.00 95.79 C

ATOM 129 CD2 LEU A 17 8.224 -6.923 1.421 1.00 93.82 C

ATOM 130 N TYR A 18 6.801 -6.391 6.001 1.00 97.21 N

ATOM 131 CA TYR A 18 7.632 -6.617 7.179 1.00100.20 C

ATOM 132 C TYR A 18 6.823 -7.224 8.331 1.00 99.87 C

ATOM 133 O TYR A 18 7.365 -7.968 9.151 1.00 99.32 O

ATOM 134 CB TYR A 18 8.316 -5.320 7.626 1.00103.59 C

ATOM 135 CG TYR A 18 9.401 -4.789 6.698 1.00107.09 C

ATOM 136 CD1 TYR A 18 9.774 -3.444 6.737 1.00105.48 C

ATOM 137 CD2 TYR A 18 10.055 -5.626 5.786 1.00114.14 C

ATOM 138 CE1 TYR A 18 10.774 -2.946 5.901 1.00106.72 C

ATOM 139 CE2 TYR A 18 11.051 -5.136 4.939 1.00111.83 C

ATOM 140 CZ TYR A 18 11.406 -3.797 5.004 1.00108.77 C

ATOM 141 OH TYR A 18 12.388 -3.311 4.169 1.00106.97 O

ATOM 142 N LYS A 19 5.530 -6.899 8.379 1.00 98.78 N

ATOM 143 CA LYS A 19 4.589 -7.528 9.308 1.00 95.61 C

ATOM 144 C LYS A 19 4.253 -8.952 8.868 1.00 93.47 C

ATOM 145 O LYS A 19 3.964 -9.801 9.712 1.00 95.24 O

ATOM 146 CB LYS A 19 3.299 -6.710 9.424 1.00 95.83 C

ATOM 147 CG LYS A 19 3.398 -5.473 10.298 1.00 92.33 C

ATOM 148 CD LYS A 19 2.130 -4.641 10.196 1.00 94.32 C

ATOM 149 CE LYS A 19 2.041 -3.634 11.326 1.00103.27 C

ATOM 150 NZ LYS A 19 0.907 -2.681 11.152 1.00106.34 N

ATOM 151 N GLN A 20 4.280 -9.191 7.553 1.00 90.89 N

ATOM 152 CA AGLN A 20 4.021 -10.515 6.983 0.50 91.11 C

ATOM 153 CA BGLN A 20 4.021 -10.514 6.992 0.50 92.71 C

ATOM 154 C GLN A 20 5.185 -11.453 7.294 1.00 94.65 C

ATOM 155 O GLN A 20 4.980 -12.640 7.565 1.00 96.72 O

ATOM 156 CB AGLN A 20 3.774 -10.415 5.466 0.50 88.01 C

ATOM 157 CB BGLN A 20 3.782 -10.421 5.480 0.50 91.42 C

ATOM 158 CG AGLN A 20 3.366 -11.719 4.759 0.50 75.89 C

ATOM 159 CG BGLN A 20 3.040 -11.609 4.869 0.50 85.65 C

ATOM 160 CD AGLN A 20 4.515 -12.390 4.011 0.50 64.99 C

ATOM 161 CD BGLN A 20 1.549 -11.615 5.180 0.50 81.96 C

ATOM 162 OE1AGLN A 20 5.344 -11.724 3.391 0.50 61.96 O

ATOM 163 OE1BGLN A 20 0.939 -12.677 5.305 0.50 78.20 O

ATOM 164 NE2AGLN A 20 4.554 -13.716 4.055 0.50 55.64 N

ATOM 165 NE2BGLN A 20 0.956 -10.429 5.304 0.50 77.81 N

ATOM 166 N TYR A 21 6.401 -10.904 7.256 1.00 97.96 N

ATOM 167 CA TYR A 21 7.629 -11.641 7.567 1.00100.56 C

ATOM 168 C TYR A 21 7.647 -12.178 8.996 1.00 97.65 C

ATOM 169 O TYR A 21 8.040 -13.323 9.233 1.00 96.38 O

ATOM 170 CB TYR A 21 8.855 -10.745 7.377 1.00104.95 C

ATOM 171 CG TYR A 21 9.246 -10.450 5.945 1.00108.66 C

ATOM 172 CD1 TYR A 21 9.826 -9.228 5.610 1.00105.76 C

ATOM 173 CD2 TYR A 21 9.053 -11.390 4.931 1.00112.71 C

ATOM 174 CE1 TYR A 21 10.204 -8.944 4.308 1.00106.11 C

ATOM 175 CE2 TYR A 21 9.427 -11.116 3.620 1.00113.46 C

ATOM 176 CZ TYR A 21 10.002 -9.890 3.319 1.00110.98 C

ATOM 177 OH TYR A 21 10.377 -9.603 2.028 1.00114.31 O

ATOM 178 N VAL A 22 7.216 -11.338 9.936 1.00 95.08 N

ATOM 179 CA VAL A 22 7.277 -11.650 11.365 1.00 92.38 C

ATOM 180 C VAL A 22 5.900 -12.043 11.949 1.00 93.05 C

ATOM 181 O VAL A 22 5.695 -11.994 13.168 1.00 87.71 O

ATOM 182 CB VAL A 22 7.967 -10.494 12.173 1.00 90.37 C

ATOM 183 CG1 VAL A 22 9.327 -10.153 11.571 1.00 83.53 C

ATOM 184 CG2 VAL A 22 7.103 -9.243 12.219 1.00 94.39 C

ATOM 185 N LYS A 23 4.984 -12.454 11.062 1.00 96.90 N

ATOM 186 CA LYS A 23 3.605 -12.858 11.409 1.00 97.81 C

ATOM 187 C LYS A 23 3.514 -13.977 12.445 1.00 96.43 C

ATOM 188 O LYS A 23 2.652 -13.942 13.328 1.00 95.81 O

ATOM 189 CB LYS A 23 2.830 -13.292 10.153 1.00100.24 C

ATOM 190 CG LYS A 23 1.810 -12.282 9.609 1.00106.73 C

ATOM 191 CD LYS A 23 0.631 -12.019 10.559 1.00117.14 C

ATOM 192 CE LYS A 23 -0.421 -13.132 10.531 1.00120.20 C

ATOM 193 NZ LYS A 23 -0.174 -14.210 11.537 1.00120.22 N

ATOM 194 N ASP A 24 4.399 -14.966 12.320 1.00 96.15 N

ATOM 195 CA ASP A 24 4.430 -16.115 13.225 1.00 94.39 C

ATOM 196 C ASP A 24 5.623 -16.063 14.186 1.00 86.41 C

ATOM 197 O ASP A 24 6.158 -17.095 14.598 1.00 84.09 O

ATOM 198 CB ASP A 24 4.404 -17.425 12.426 1.00100.04 C

ATOM 199 CG ASP A 24 3.050 -17.690 11.779 1.00108.84 C

ATOM 200 OD1 ASP A 24 2.042 -17.789 12.515 1.00110.93 O

ATOM 201 OD2 ASP A 24 2.995 -17.806 10.533 1.00114.12 O

ATOM 202 N GLU A 25 6.019 -14.844 14.538 1.00 80.73 N

ATOM 203 CA GLU A 25 7.076 -14.598 15.511 1.00 74.01 C

ATOM 204 C GLU A 25 6.438 -14.183 16.837 1.00 68.63 C

ATOM 205 O GLU A 25 5.386 -13.544 16.832 1.00 66.82 O

ATOM 206 CB GLU A 25 8.019 -13.515 14.989 1.00 76.02 C

ATOM 207 CG GLU A 25 9.004 -13.998 13.933 1.00 80.28 C

ATOM 208 CD GLU A 25 10.242 -14.646 14.532 1.00 90.36 C

ATOM 209 OE1 GLU A 25 11.019 -13.944 15.220 1.00 88.05 O

ATOM 210 OE2 GLU A 25 10.446 -15.856 14.295 1.00 96.09 O

ATOM 211 N PRO A 26 7.063 -14.547 17.979 1.00 65.85 N

ATOM 212 CA PRO A 26 6.454 -14.353 19.300 1.00 63.69 C

ATOM 213 C PRO A 26 6.568 -12.935 19.872 1.00 64.44 C

ATOM 214 O PRO A 26 6.929 -12.765 21.042 1.00 67.08 O

ATOM 215 CB PRO A 26 7.243 -15.325 20.173 1.00 64.24 C

ATOM 216 CG PRO A 26 8.593 -15.302 19.578 1.00 58.21 C

ATOM 217 CD PRO A 26 8.389 -15.187 18.096 1.00 64.69 C

ATOM 218 N TYR A 27 6.262 -11.934 19.054 1.00 60.15 N

ATOM 219 CA TYR A 27 6.193 -10.552 19.511 1.00 62.44 C

ATOM 220 C TYR A 27 5.131 -9.775 18.745 1.00 67.74 C

ATOM 221 O TYR A 27 4.732 -10.175 17.649 1.00 71.14 O

ATOM 222 CB TYR A 27 7.556 -9.854 19.400 1.00 61.88 C

ATOM 223 CG TYR A 27 8.311 -10.068 18.099 1.00 57.83 C

ATOM 224 CD1 TYR A 27 9.397 -10.941 18.046 1.00 53.81 C

ATOM 225 CD2 TYR A 27 7.959 -9.379 16.932 1.00 50.01 C

ATOM 226 CE1 TYR A 27 10.108 -11.131 16.872 1.00 51.86 C

ATOM 227 CE2 TYR A 27 8.664 -9.566 15.745 1.00 43.51 C

ATOM 228 CZ TYR A 27 9.734 -10.443 15.727 1.00 53.88 C

ATOM 229 OH TYR A 27 10.439 -10.639 14.568 1.00 61.16 O

ATOM 230 N ASP A 28 4.686 -8.664 19.326 1.00 71.25 N

ATOM 231 CA ASP A 28 3.721 -7.784 18.674 1.00 72.19 C

ATOM 232 C ASP A 28 4.443 -6.736 17.834 1.00 69.47 C

ATOM 233 O ASP A 28 5.427 -6.138 18.283 1.00 69.89 O

ATOM 234 CB ASP A 28 2.812 -7.103 19.707 1.00 74.18 C

ATOM 235 CG ASP A 28 2.031 -8.098 20.563 1.00 75.54 C

ATOM 236 OD1 ASP A 28 1.537 -9.115 20.020 1.00 73.41 O

ATOM 237 OD2 ASP A 28 1.904 -7.850 21.783 1.00 62.84 O

ATOM 238 N ILE A 29 3.955 -6.525 16.614 1.00 64.74 N

ATOM 239 CA ILE A 29 4.535 -5.525 15.719 1.00 61.98 C

ATOM 240 C ILE A 29 3.563 -4.364 15.440 1.00 62.20 C

ATOM 241 O ILE A 29 2.400 -4.576 15.098 1.00 65.47 O

ATOM 242 CB ILE A 29 5.160 -6.168 14.429 1.00 61.97 C

ATOM 243 CG1 ILE A 29 5.804 -5.102 13.535 1.00 66.59 C

ATOM 244 CG2 ILE A 29 4.144 -7.025 13.669 1.00 57.48 C

ATOM 245 CD1 ILE A 29 7.123 -5.519 12.928 1.00 68.00 C

ATOM 246 N PHE A 30 4.050 -3.143 15.645 1.00 62.07 N

ATOM 247 CA PHE A 30 3.266 -1.930 15.452 1.00 62.69 C

ATOM 248 C PHE A 30 3.970 -1.045 14.440 1.00 62.61 C

ATOM 249 O PHE A 30 5.200 -1.019 14.383 1.00 67.60 O

ATOM 250 CB PHE A 30 3.105 -1.166 16.769 1.00 67.43 C

ATOM 251 CG PHE A 30 2.467 -1.968 17.870 1.00 77.83 C

ATOM 252 CD1 PHE A 30 1.083 -2.106 17.939 1.00 86.44 C

ATOM 253 CD2 PHE A 30 3.249 -2.579 18.848 1.00 80.93 C

ATOM 254 CE1 PHE A 30 0.490 -2.847 18.961 1.00 87.87 C

ATOM 255 CE2 PHE A 30 2.663 -3.320 19.876 1.00 82.65 C

ATOM 256 CZ PHE A 30 1.283 -3.452 19.932 1.00 81.36 C

ATOM 257 N HIS A 31 3.190 -0.309 13.657 1.00 58.03 N

ATOM 258 CA HIS A 31 3.736 0.488 12.570 1.00 58.82 C

ATOM 259 C HIS A 31 3.351 1.963 12.673 1.00 58.81 C

ATOM 260 O HIS A 31 2.193 2.293 12.931 1.00 63.01 O

ATOM 261 CB HIS A 31 3.302 -0.107 11.223 1.00 63.69 C

ATOM 262 CG HIS A 31 3.591 0.768 10.045 1.00 73.84 C

ATOM 263 ND1 HIS A 31 2.609 1.186 9.173 1.00 80.98 N

ATOM 264 CD2 HIS A 31 4.747 1.317 9.602 1.00 80.79 C

ATOM 265 CE1 HIS A 31 3.150 1.948 8.239 1.00 85.96 C

ATOM 266 NE2 HIS A 31 4.445 2.046 8.478 1.00 82.31 N

ATOM 267 N VAL A 32 4.339 2.839 12.489 1.00 57.85 N

ATOM 268 CA VAL A 32 4.115 4.285 12.360 1.00 58.56 C

ATOM 269 C VAL A 32 4.759 4.819 11.070 1.00 59.31 C

ATOM 270 O VAL A 32 5.674 4.197 10.530 1.00 59.36 O

ATOM 271 CB VAL A 32 4.628 5.075 13.589 1.00 51.68 C

ATOM 272 CG1 VAL A 32 3.784 4.770 14.817 1.00 54.66 C

ATOM 273 CG2 VAL A 32 6.087 4.770 13.855 1.00 61.21 C

ATOM 274 N GLU A 33 4.282 5.967 10.587 1.00 64.86 N

ATOM 275 CA GLU A 33 4.708 6.498 9.285 1.00 70.05 C

ATOM 276 C GLU A 33 5.664 7.686 9.366 1.00 70.43 C

ATOM 277 O GLU A 33 6.469 7.899 8.457 1.00 73.19 O

ATOM 278 CB GLU A 33 3.498 6.868 8.410 1.00 78.39 C

ATOM 279 CG GLU A 33 2.609 5.691 7.978 1.00 83.95 C

ATOM 280 CD GLU A 33 1.430 5.451 8.918 1.00 91.15 C

ATOM 281 OE1 GLU A 33 0.779 6.433 9.342 1.00 87.62 O

ATOM 282 OE2 GLU A 33 1.146 4.275 9.224 1.00 94.06 O

ATOM 283 N THR A 34 5.561 8.462 10.445 1.00 68.47 N

ATOM 284 CA THR A 34 6.357 9.678 10.617 1.00 64.47 C

ATOM 285 C THR A 34 7.262 9.587 11.834 1.00 65.90 C

ATOM 286 O THR A 34 7.029 8.770 12.727 1.00 67.24 O

ATOM 287 CB THR A 34 5.469 10.923 10.793 1.00 65.03 C

ATOM 288 OG1 THR A 34 4.737 10.819 12.019 1.00 64.11 O

ATOM 289 CG2 THR A 34 4.492 11.075 9.626 1.00 71.31 C

ATOM 290 N GLY A 35 8.280 10.446 11.864 1.00 65.97 N

ATOM 291 CA GLY A 35 9.236 10.504 12.966 1.00 62.22 C

ATOM 292 C GLY A 35 8.641 10.948 14.291 1.00 65.97 C

ATOM 293 O GLY A 35 9.047 10.463 15.349 1.00 67.06 O

ATOM 294 N ARG A 36 7.675 11.862 14.242 1.00 66.18 N

ATOM 295 CA ARG A 36 7.039 12.348 15.466 1.00 68.13 C

ATOM 296 C ARG A 36 6.067 11.346 16.086 1.00 67.32 C

ATOM 297 O ARG A 36 5.919 11.309 17.307 1.00 68.44 O

ATOM 298 CB ARG A 36 6.374 13.717 15.269 1.00 68.78 C

ATOM 299 CG ARG A 36 5.149 13.742 14.355 1.00 83.92 C

ATOM 300 CD ARG A 36 3.962 14.384 15.065 1.00 89.80 C

ATOM 301 NE ARG A 36 4.361 15.535 15.879 1.00 88.88 N

ATOM 302 CZ ARG A 36 3.657 16.033 16.894 1.00 88.90 C

ATOM 303 NH1 ARG A 36 4.118 17.083 17.562 1.00 81.83 N

ATOM 304 NH2 ARG A 36 2.497 15.487 17.250 1.00 82.46 N

ATOM 305 N ASP A 37 5.424 10.530 15.250 1.00 68.26 N

ATOM 306 CA ASP A 37 4.563 9.439 15.727 1.00 67.04 C

ATOM 307 C ASP A 37 5.385 8.301 16.331 1.00 66.22 C

ATOM 308 O ASP A 37 4.922 7.611 17.245 1.00 63.75 O

ATOM 309 CB ASP A 37 3.674 8.899 14.604 1.00 65.75 C

ATOM 310 CG ASP A 37 2.543 9.845 14.238 1.00 67.72 C

ATOM 311 OD1 ASP A 37 2.112 10.645 15.100 1.00 75.82 O

ATOM 312 OD2 ASP A 37 2.077 9.777 13.082 1.00 69.37 O

ATOM 313 N ALA A 38 6.595 8.112 15.803 1.00 62.78 N

ATOM 314 CA ALA A 38 7.553 7.159 16.349 1.00 58.68 C

ATOM 315 C ALA A 38 7.957 7.568 17.759 1.00 62.33 C

ATOM 316 O ALA A 38 7.804 6.785 18.693 1.00 63.57 O

ATOM 317 CB ALA A 38 8.766 7.060 15.458 1.00 52.72 C

ATOM 318 N ILE A 39 8.438 8.806 17.894 1.00 61.79 N

ATOM 319 CA ILE A 39 8.836 9.394 19.172 1.00 61.39 C

ATOM 320 C ILE A 39 7.737 9.288 20.226 1.00 64.53 C

ATOM 321 O ILE A 39 8.008 8.901 21.365 1.00 68.62 O

ATOM 322 CB ILE A 39 9.290 10.862 18.982 1.00 61.26 C

ATOM 323 CG1 ILE A 39 10.764 10.898 18.577 1.00 58.98 C

ATOM 324 CG2 ILE A 39 9.059 11.705 20.245 1.00 64.77 C

ATOM 325 CD1 ILE A 39 11.289 12.287 18.284 1.00 63.01 C

ATOM 326 N GLN A 40 6.502 9.583 19.822 1.00 65.62 N

ATOM 327 CA GLN A 40 5.346 9.520 20.713 1.00 70.28 C

ATOM 328 C GLN A 40 4.989 8.095 21.118 1.00 69.68 C

ATOM 329 O GLN A 40 4.483 7.872 22.216 1.00 78.28 O

ATOM 330 CB GLN A 40 4.135 10.210 20.082 1.00 73.85 C

ATOM 331 CG GLN A 40 4.185 11.739 20.128 1.00 75.13 C

ATOM 332 CD GLN A 40 3.008 12.401 19.419 1.00 79.31 C

ATOM 333 OE1 GLN A 40 2.817 13.614 19.522 1.00 85.42 O

ATOM 334 NE2 GLN A 40 2.209 11.607 18.705 1.00 83.60 N

ATOM 335 N PHE A 41 5.254 7.139 20.231 1.00 70.06 N

ATOM 336 CA PHE A 41 5.071 5.723 20.543 1.00 61.82 C

ATOM 337 C PHE A 41 6.125 5.262 21.546 1.00 61.23 C

ATOM 338 O PHE A 41 5.827 4.473 22.437 1.00 62.69 O

ATOM 339 CB PHE A 41 5.137 4.870 19.270 1.00 58.83 C

ATOM 340 CG PHE A 41 4.666 3.451 19.458 1.00 58.51 C

ATOM 341 CD1 PHE A 41 5.553 2.447 19.852 1.00 65.81 C

ATOM 342 CD2 PHE A 41 3.337 3.115 19.237 1.00 52.81 C

ATOM 343 CE1 PHE A 41 5.120 1.136 20.029 1.00 66.33 C

ATOM 344 CE2 PHE A 41 2.895 1.807 19.411 1.00 58.09 C

ATOM 345 CZ PHE A 41 3.788 0.817 19.811 1.00 61.05 C

ATOM 346 N ILE A 42 7.352 5.751 21.381 1.00 63.70 N

ATOM 347 CA ILE A 42 8.465 5.417 22.270 1.00 69.07 C

ATOM 348 C ILE A 42 8.219 5.949 23.688 1.00 75.03 C

ATOM 349 O ILE A 42 8.412 5.226 24.663 1.00 76.16 O

ATOM 350 CB ILE A 42 9.818 5.946 21.717 1.00 66.76 C

ATOM 351 CG1 ILE A 42 10.133 5.322 20.360 1.00 61.89 C

ATOM 352 CG2 ILE A 42 10.965 5.636 22.664 1.00 59.19 C

ATOM 353 CD1 ILE A 42 11.015 6.198 19.498 1.00 73.58 C

ATOM 354 N GLU A 43 7.772 7.200 23.788 1.00 81.46 N

ATOM 355 CA GLU A 43 7.529 7.844 25.083 1.00 85.90 C

ATOM 356 C GLU A 43 6.339 7.249 25.845 1.00 88.00 C

ATOM 357 O GLU A 43 6.337 7.236 27.076 1.00 92.02 O

ATOM 358 CB GLU A 43 7.349 9.359 24.913 1.00 87.94 C

ATOM 359 CG GLU A 43 8.620 10.121 24.519 1.00 91.99 C

ATOM 360 CD GLU A 43 9.537 10.434 25.699 1.00 99.97 C

ATOM 361 OE1 GLU A 43 9.034 10.853 26.765 1.00101.82 O

ATOM 362 OE2 GLU A 43 10.769 10.278 25.552 1.00101.41 O

ATOM 363 N ARG A 44 5.345 6.747 25.112 1.00 88.82 N

ATOM 364 CA ARG A 44 4.150 6.151 25.715 1.00 91.86 C

ATOM 365 C ARG A 44 4.283 4.632 25.903 1.00 92.80 C

ATOM 366 O ARG A 44 4.367 4.150 27.038 1.00 91.71 O

ATOM 367 CB ARG A 44 2.897 6.507 24.894 1.00 93.75 C

ATOM 368 CG ARG A 44 1.563 6.224 25.582 1.00102.42 C

ATOM 369 CD ARG A 44 0.869 4.990 25.015 1.00115.90 C

ATOM 370 NE ARG A 44 -0.078 4.418 25.973 1.00128.00 N

ATOM 371 CZ ARG A 44 0.161 3.346 26.728 1.00131.28 C

ATOM 372 NH1 ARG A 44 1.318 2.699 26.641 1.00127.22 N

ATOM 373 NH2 ARG A 44 -0.765 2.912 27.571 1.00132.13 N

ATOM 374 N SER A 45 4.310 3.896 24.790 1.00 91.57 N

ATOM 375 CA SER A 45 4.286 2.427 24.798 1.00 88.36 C

ATOM 376 C SER A 45 5.604 1.769 25.227 1.00 89.66 C

ATOM 377 O SER A 45 5.589 0.650 25.742 1.00 93.99 O

ATOM 378 CB SER A 45 3.844 1.885 23.431 1.00 85.98 C

ATOM 379 OG SER A 45 2.590 2.418 23.038 1.00 83.91 O

ATOM 380 N LYS A 46 6.719 2.474 25.019 1.00 89.97 N

ATOM 381 CA LYS A 46 8.089 1.995 25.317 1.00 91.88 C

ATOM 382 C LYS A 46 8.427 0.616 24.721 1.00 88.16 C

ATOM 383 O LYS A 46 8.561 -0.359 25.473 1.00 86.76 O

ATOM 384 CB LYS A 46 8.379 2.020 26.832 1.00 95.01 C

ATOM 385 CG LYS A 46 8.272 3.395 27.493 1.00102.30 C

ATOM 386 CD LYS A 46 8.314 3.293 29.017 1.00100.78 C

ATOM 387 CE LYS A 46 8.040 4.644 29.673 1.00108.71 C

ATOM 388 NZ LYS A 46 7.938 4.551 31.160 1.00109.45 N

ATOM 389 N PRO A 47 8.570 0.528 23.376 1.00 83.56 N

ATOM 390 CA PRO A 47 8.789 -0.777 22.742 1.00 77.68 C

ATOM 391 C PRO A 47 10.187 -1.334 23.013 1.00 74.36 C

ATOM 392 O PRO A 47 11.090 -0.580 23.380 1.00 74.66 O

ATOM 393 CB PRO A 47 8.596 -0.483 21.250 1.00 76.18 C

ATOM 394 CG PRO A 47 8.945 0.938 21.099 1.00 78.57 C

ATOM 395 CD PRO A 47 8.546 1.617 22.379 1.00 81.98 C

ATOM 396 N GLN A 48 10.341 -2.648 22.849 1.00 69.90 N

ATOM 397 CA GLN A 48 11.605 -3.338 23.120 1.00 64.96 C

ATOM 398 C GLN A 48 12.635 -3.137 22.011 1.00 63.08 C

ATOM 399 O GLN A 48 13.836 -3.060 22.285 1.00 63.24 O

ATOM 400 CB GLN A 48 11.368 -4.836 23.353 1.00 66.12 C

ATOM 401 CG GLN A 48 11.082 -5.227 24.807 1.00 69.79 C

ATOM 402 CD GLN A 48 9.724 -4.752 25.305 1.00 70.93 C

ATOM 403 OE1 GLN A 48 8.693 -5.001 24.680 1.00 73.75 O

ATOM 404 NE2 GLN A 48 9.722 -4.066 26.439 1.00 72.14 N

ATOM 405 N LEU A 49 12.157 -3.055 20.770 1.00 55.82 N

ATOM 406 CA LEU A 49 13.019 -2.881 19.607 1.00 50.12 C

ATOM 407 C LEU A 49 12.342 -2.015 18.554 1.00 51.94 C

ATOM 408 O LEU A 49 11.131 -2.091 18.371 1.00 58.01 O

ATOM 409 CB LEU A 49 13.409 -4.243 19.020 1.00 47.32 C

ATOM 410 CG LEU A 49 14.411 -4.291 17.860 1.00 48.93 C

ATOM 411 CD1 LEU A 49 15.481 -5.338 18.108 1.00 44.58 C

ATOM 412 CD2 LEU A 49 13.706 -4.515 16.516 1.00 43.66 C

ATOM 413 N ILE A 50 13.138 -1.193 17.873 1.00 52.81 N

ATOM 414 CA ILE A 50 12.672 -0.367 16.763 1.00 52.99 C

ATOM 415 C ILE A 50 13.355 -0.812 15.481 1.00 50.77 C

ATOM 416 O ILE A 50 14.579 -0.960 15.450 1.00 52.24 O

ATOM 417 CB ILE A 50 12.992 1.133 17.005 1.00 56.21 C

ATOM 418 CG1 ILE A 50 12.150 1.683 18.146 1.00 60.21 C

ATOM 419 CG2 ILE A 50 12.741 1.983 15.753 1.00 48.13 C

ATOM 420 CD1 ILE A 50 12.653 2.997 18.662 1.00 71.95 C

ATOM 421 N ILE A 51 12.565 -1.048 14.436 1.00 50.07 N

ATOM 422 CA ILE A 51 13.106 -1.174 13.086 1.00 47.68 C

ATOM 423 C ILE A 51 12.932 0.181 12.419 1.00 50.37 C

ATOM 424 O ILE A 51 11.822 0.551 12.042 1.00 58.86 O

ATOM 425 CB ILE A 51 12.396 -2.262 12.266 1.00 44.05 C

ATOM 426 CG1 ILE A 51 12.350 -3.578 13.048 1.00 46.39 C

ATOM 427 CG2 ILE A 51 13.105 -2.446 10.918 1.00 51.39 C

ATOM 428 CD1 ILE A 51 11.357 -4.599 12.513 1.00 51.13 C

ATOM 429 N LEU A 52 14.033 0.917 12.278 1.00 57.23 N

ATOM 430 CA LEU A 52 13.988 2.332 11.898 1.00 57.06 C

ATOM 431 C LEU A 52 14.451 2.632 10.476 1.00 63.29 C

ATOM 432 O LEU A 52 15.581 2.322 10.107 1.00 71.35 O

ATOM 433 CB LEU A 52 14.810 3.157 12.895 1.00 56.67 C

ATOM 434 CG LEU A 52 14.955 4.677 12.768 1.00 58.91 C

ATOM 435 CD1 LEU A 52 13.611 5.399 12.662 1.00 57.08 C

ATOM 436 CD2 LEU A 52 15.745 5.184 13.965 1.00 54.14 C

ATOM 437 N ASP A 53 13.573 3.254 9.691 1.00 66.63 N

ATOM 438 CA ASP A 53 13.932 3.755 8.369 1.00 69.46 C

ATOM 439 C ASP A 53 14.597 5.116 8.517 1.00 71.80 C

ATOM 440 O ASP A 53 14.181 5.924 9.347 1.00 73.01 O

ATOM 441 CB ASP A 53 12.694 3.865 7.473 1.00 71.48 C

ATOM 442 CG ASP A 53 13.035 4.131 6.016 1.00 85.94 C

ATOM 443 OD1 ASP A 53 14.145 3.764 5.575 1.00 92.12 O

ATOM 444 OD2 ASP A 53 12.183 4.701 5.302 1.00 94.22 O

ATOM 445 N LEU A 54 15.630 5.364 7.714 1.00 72.76 N

ATOM 446 CA LEU A 54 16.345 6.639 7.759 1.00 71.75 C

ATOM 447 C LEU A 54 15.603 7.783 7.078 1.00 72.54 C

ATOM 448 O LEU A 54 15.716 8.928 7.507 1.00 71.93 O

ATOM 449 CB LEU A 54 17.754 6.508 7.176 1.00 71.54 C

ATOM 450 CG LEU A 54 18.903 6.338 8.170 1.00 73.16 C

ATOM 451 CD1 LEU A 54 20.183 6.019 7.436 1.00 69.43 C

ATOM 452 CD2 LEU A 54 19.082 7.599 9.011 1.00 82.49 C

ATOM 453 N LYS A 55 14.858 7.479 6.018 1.00 78.62 N

ATOM 454 CA LYS A 55 14.114 8.511 5.298 1.00 82.07 C

ATOM 455 C LYS A 55 12.675 8.594 5.788 1.00 82.37 C

ATOM 456 O LYS A 55 11.870 7.685 5.570 1.00 85.80 O

ATOM 457 CB LYS A 55 14.179 8.304 3.777 1.00 88.38 C

ATOM 458 CG LYS A 55 13.340 9.308 2.973 1.00 99.74 C

ATOM 459 CD LYS A 55 14.073 9.831 1.741 1.00108.28 C

ATOM 460 CE LYS A 55 14.981 11.010 2.090 1.00108.81 C

ATOM 461 NZ LYS A 55 15.650 11.586 0.890 1.00108.68 N

ATOM 462 N LEU A 56 12.374 9.695 6.466 1.00 80.03 N

ATOM 463 CA LEU A 56 11.046 9.951 7.004 1.00 78.36 C

ATOM 464 C LEU A 56 10.597 11.346 6.559 1.00 80.82 C

ATOM 465 O LEU A 56 11.441 12.228 6.380 1.00 84.14 O

ATOM 466 CB LEU A 56 11.061 9.819 8.534 1.00 77.13 C

ATOM 467 CG LEU A 56 11.322 8.425 9.125 1.00 76.05 C

ATOM 468 CD1 LEU A 56 11.536 8.507 10.630 1.00 71.72 C

ATOM 469 CD2 LEU A 56 10.207 7.433 8.787 1.00 75.34 C

ATOM 470 N PRO A 57 9.274 11.546 6.358 1.00 80.19 N

ATOM 471 CA PRO A 57 8.771 12.803 5.783 1.00 79.55 C

ATOM 472 C PRO A 57 8.882 14.059 6.658 1.00 80.23 C

ATOM 473 O PRO A 57 8.801 15.169 6.124 1.00 81.42 O

ATOM 474 CB PRO A 57 7.296 12.493 5.500 1.00 80.89 C

ATOM 475 CG PRO A 57 6.941 11.433 6.464 1.00 79.89 C

ATOM 476 CD PRO A 57 8.174 10.598 6.626 1.00 80.19 C

ATOM 477 N ASP A 58 9.060 13.897 7.970 1.00 74.84 N

ATOM 478 CA ASP A 58 9.118 15.051 8.878 1.00 69.39 C

ATOM 479 C ASP A 58 10.502 15.356 9.464 1.00 70.97 C

ATOM 480 O ASP A 58 10.797 16.507 9.794 1.00 74.44 O

ATOM 481 CB ASP A 58 8.060 14.948 9.988 1.00 67.71 C

ATOM 482 CG ASP A 58 8.151 13.657 10.787 1.00 65.24 C

ATOM 483 OD1 ASP A 58 7.491 13.579 11.844 1.00 66.48 O

ATOM 484 OD2 ASP A 58 8.863 12.720 10.370 1.00 66.99 O

ATOM 485 N MET A 59 11.340 14.327 9.578 1.00 68.92 N

ATOM 486 CA MET A 59 12.679 14.448 10.168 1.00 65.33 C

ATOM 487 C MET A 59 13.573 13.310 9.672 1.00 70.38 C

ATOM 488 O MET A 59 13.152 12.503 8.845 1.00 73.44 O

ATOM 489 CB MET A 59 12.601 14.444 11.711 1.00 66.26 C

ATOM 490 CG MET A 59 12.035 13.158 12.318 1.00 54.66 C

ATOM 491 SD MET A 59 11.330 13.361 13.959 1.00 53.08 S

ATOM 492 CE MET A 59 12.702 12.899 14.967 1.00 49.97 C

ATOM 493 N SER A 60 14.802 13.249 10.182 1.00 76.61 N

ATOM 494 CA SER A 60 15.725 12.154 9.879 1.00 78.79 C

ATOM 495 C SER A 60 15.451 10.936 10.763 1.00 80.04 C

ATOM 496 O SER A 60 14.812 11.053 11.811 1.00 84.16 O

ATOM 497 CB SER A 60 17.175 12.618 10.060 1.00 78.55 C

ATOM 498 OG SER A 60 18.087 11.547 9.886 1.00 84.17 O

ATOM 499 N GLY A 61 15.931 9.771 10.331 1.00 78.68 N

ATOM 500 CA GLY A 61 15.879 8.558 11.146 1.00 75.52 C

ATOM 501 C GLY A 61 16.840 8.696 12.308 1.00 78.24 C

ATOM 502 O GLY A 61 16.520 8.340 13.442 1.00 73.07 O

ATOM 503 N GLU A 62 18.014 9.249 12.007 1.00 80.31 N

ATOM 504 CA GLU A 62 19.040 9.594 12.990 1.00 84.02 C

ATOM 505 C GLU A 62 18.493 10.438 14.147 1.00 83.06 C

ATOM 506 O GLU A 62 18.922 10.280 15.293 1.00 86.77 O

ATOM 507 CB GLU A 62 20.175 10.342 12.287 1.00 84.90 C

ATOM 508 CG GLU A 62 21.452 10.502 13.096 1.00 90.82 C

ATOM 509 CD GLU A 62 22.644 10.893 12.239 1.00 91.49 C

ATOM 510 OE1 GLU A 62 23.702 11.223 12.817 1.00 96.58 O

ATOM 511 OE2 GLU A 62 22.530 10.867 10.992 1.00 99.43 O

ATOM 512 N ASP A 63 17.540 11.317 13.837 1.00 77.53 N

ATOM 513 CA ASP A 63 16.899 12.174 14.830 1.00 75.41 C

ATOM 514 C ASP A 63 16.083 11.389 15.858 1.00 75.19 C

ATOM 515 O ASP A 63 15.971 11.812 17.009 1.00 76.00 O

ATOM 516 CB ASP A 63 16.011 13.219 14.147 1.00 78.10 C

ATOM 517 CG ASP A 63 16.801 14.296 13.422 1.00 83.36 C

ATOM 518 OD1 ASP A 63 16.260 14.862 12.448 1.00 86.27 O

ATOM 519 OD2 ASP A 63 17.948 14.587 13.821 1.00 87.89 O

ATOM 520 N VAL A 64 15.523 10.252 15.440 1.00 74.63 N

ATOM 521 CA VAL A 64 14.803 9.351 16.350 1.00 70.50 C

ATOM 522 C VAL A 64 15.790 8.642 17.287 1.00 70.76 C

ATOM 523 O VAL A 64 15.544 8.545 18.493 1.00 69.12 O

ATOM 524 CB VAL A 64 13.914 8.319 15.584 1.00 71.64 C

ATOM 525 CG1 VAL A 64 13.144 7.420 16.551 1.00 69.21 C

ATOM 526 CG2 VAL A 64 12.938 9.027 14.649 1.00 63.45 C

ATOM 527 N LEU A 65 16.910 8.176 16.727 1.00 70.10 N

ATOM 528 CA LEU A 65 17.998 7.558 17.498 1.00 68.35 C

ATOM 529 C LEU A 65 18.553 8.539 18.527 1.00 72.50 C

ATOM 530 O LEU A 65 18.808 8.158 19.671 1.00 79.61 O

ATOM 531 CB LEU A 65 19.134 7.106 16.571 1.00 64.99 C

ATOM 532 CG LEU A 65 19.974 5.836 16.810 1.00 67.93 C

ATOM 533 CD1 LEU A 65 21.253 5.934 15.991 1.00 63.58 C

ATOM 534 CD2 LEU A 65 20.316 5.515 18.276 1.00 61.30 C

ATOM 535 N ASP A 66 18.727 9.794 18.108 1.00 72.89 N

ATOM 536 CA ASP A 66 19.202 10.874 18.977 1.00 71.25 C

ATOM 537 C ASP A 66 18.286 11.113 20.178 1.00 68.73 C

ATOM 538 O ASP A 66 18.759 11.475 21.253 1.00 69.69 O

ATOM 539 CB ASP A 66 19.362 12.177 18.183 1.00 71.49 C

ATOM 540 CG ASP A 66 20.601 12.189 17.299 1.00 71.47 C

ATOM 541 OD1 ASP A 66 20.861 13.233 16.659 1.00 72.38 O

ATOM 542 OD2 ASP A 66 21.314 11.166 17.237 1.00 72.03 O

ATOM 543 N TRP A 67 16.984 10.900 19.982 1.00 67.02 N

ATOM 544 CA TRP A 67 15.979 11.092 21.025 1.00 69.45 C

ATOM 545 C TRP A 67 16.055 9.997 22.087 1.00 73.45 C

ATOM 546 O TRP A 67 15.784 10.249 23.263 1.00 80.68 O

ATOM 547 CB TRP A 67 14.587 11.129 20.395 1.00 66.85 C

ATOM 548 CG TRP A 67 13.445 11.426 21.336 1.00 69.55 C

ATOM 549 CD1 TRP A 67 12.763 10.531 22.115 1.00 64.62 C

ATOM 550 CD2 TRP A 67 12.825 12.700 21.557 1.00 72.51 C

ATOM 551 NE1 TRP A 67 11.771 11.170 22.819 1.00 62.09 N

ATOM 552 CE2 TRP A 67 11.786 12.501 22.495 1.00 69.70 C

ATOM 553 CE3 TRP A 67 13.052 13.992 21.061 1.00 70.78 C

ATOM 554 CZ2 TRP A 67 10.974 13.545 22.944 1.00 72.59 C

ATOM 555 CZ3 TRP A 67 12.246 15.030 21.509 1.00 65.59 C

ATOM 556 CH2 TRP A 67 11.220 14.800 22.441 1.00 71.47 C

ATOM 557 N ILE A 68 16.418 8.790 21.659 1.00 73.51 N

ATOM 558 CA ILE A 68 16.546 7.629 22.544 1.00 70.88 C

ATOM 559 C ILE A 68 17.757 7.778 23.466 1.00 71.52 C

ATOM 560 O ILE A 68 17.684 7.471 24.656 1.00 74.00 O

ATOM 561 CB ILE A 68 16.615 6.327 21.718 1.00 66.32 C

ATOM 562 CG1 ILE A 68 15.239 6.023 21.135 1.00 62.40 C

ATOM 563 CG2 ILE A 68 17.084 5.149 22.556 1.00 74.57 C

ATOM 564 CD1 ILE A 68 15.291 5.393 19.781 1.00 69.20 C

ATOM 565 N ASN A 69 18.855 8.279 22.907 1.00 71.10 N

ATOM 566 CA ASN A 69 20.066 8.557 23.670 1.00 71.03 C

ATOM 567 C ASN A 69 19.914 9.714 24.653 1.00 73.31 C

ATOM 568 O ASN A 69 20.518 9.696 25.724 1.00 78.52 O

ATOM 569 CB ASN A 69 21.242 8.821 22.729 1.00 64.74 C

ATOM 570 CG ASN A 69 21.489 7.675 21.769 1.00 62.77 C

ATOM 571 OD1 ASN A 69 21.118 6.529 22.037 1.00 68.94 O

ATOM 572 ND2 ASN A 69 22.118 7.979 20.639 1.00 59.21 N

ATOM 573 N GLN A 70 19.111 10.711 24.291 1.00 75.78 N

ATOM 574 CA GLN A 70 18.894 11.870 25.158 1.00 82.39 C

ATOM 575 C GLN A 70 17.976 11.561 26.337 1.00 84.67 C

ATOM 576 O GLN A 70 18.264 11.944 27.466 1.00 89.14 O

ATOM 577 CB GLN A 70 18.364 13.074 24.369 1.00 81.10 C

ATOM 578 CG GLN A 70 19.447 13.896 23.665 1.00 82.85 C

ATOM 579 CD GLN A 70 20.360 14.645 24.629 1.00 83.80 C

ATOM 580 OE1 GLN A 70 21.583 14.498 24.577 1.00 84.35 O

ATOM 581 NE2 GLN A 70 19.770 15.448 25.513 1.00 73.68 N

ATOM 582 N ASN A 71 16.881 10.856 26.080 1.00 84.74 N

ATOM 583 CA ASN A 71 15.927 10.553 27.140 1.00 89.12 C

ATOM 584 C ASN A 71 16.122 9.190 27.800 1.00 91.73 C

ATOM 585 O ASN A 71 15.277 8.756 28.592 1.00 93.81 O

ATOM 586 CB ASN A 71 14.496 10.729 26.635 1.00 90.33 C

ATOM 587 CG ASN A 71 14.156 12.178 26.366 1.00 95.34 C

ATOM 588 OD1 ASN A 71 14.198 13.016 27.269 1.00 97.06 O

ATOM 589 ND2 ASN A 71 13.819 12.483 25.120 1.00 97.94 N

ATOM 590 N ASP A 72 17.247 8.544 27.480 1.00 93.03 N

ATOM 591 CA ASP A 72 17.612 7.210 27.990 1.00100.77 C

ATOM 592 C ASP A 72 16.497 6.156 27.956 1.00 99.19 C

ATOM 593 O ASP A 72 16.104 5.606 28.992 1.00 99.95 O

ATOM 594 CB ASP A 72 18.254 7.295 29.383 1.00105.94 C

ATOM 595 CG ASP A 72 19.755 7.044 29.354 1.00116.65 C

ATOM 596 OD1 ASP A 72 20.261 6.471 28.361 1.00118.94 O

ATOM 597 OD2 ASP A 72 20.430 7.411 30.339 1.00125.96 O

ATOM 598 N ILE A 73 15.982 5.893 26.760 1.00 93.17 N

ATOM 599 CA ILE A 73 15.013 4.830 26.585 1.00 87.94 C

ATOM 600 C ILE A 73 15.792 3.541 26.354 1.00 89.83 C

ATOM 601 O ILE A 73 16.708 3.519 25.528 1.00 89.14 O

ATOM 602 CB ILE A 73 14.062 5.077 25.389 1.00 85.03 C

ATOM 603 CG1 ILE A 73 13.879 6.577 25.100 1.00 82.62 C

ATOM 604 CG2 ILE A 73 12.731 4.368 25.622 1.00 87.09 C

ATOM 605 CD1 ILE A 73 12.897 7.308 26.009 1.00 87.78 C

ATOM 606 N PRO A 74 15.460 2.473 27.107 1.00 90.62 N

ATOM 607 CA PRO A 74 16.049 1.164 26.841 1.00 88.61 C

ATOM 608 C PRO A 74 15.357 0.490 25.654 1.00 86.54 C

ATOM 609 O PRO A 74 14.466 -0.344 25.835 1.00 88.06 O

ATOM 610 CB PRO A 74 15.800 0.388 28.144 1.00 89.06 C

ATOM 611 CG PRO A 74 15.174 1.370 29.104 1.00 89.66 C

ATOM 612 CD PRO A 74 14.551 2.421 28.261 1.00 91.56 C

ATOM 613 N THR A 75 15.766 0.874 24.448 1.00 81.47 N

ATOM 614 CA THR A 75 15.190 0.354 23.218 1.00 76.04 C

ATOM 615 C THR A 75 16.290 0.126 22.189 1.00 76.12 C

ATOM 616 O THR A 75 17.008 1.060 21.818 1.00 83.38 O

ATOM 617 CB THR A 75 14.145 1.322 22.624 1.00 75.04 C

ATOM 618 OG1 THR A 75 13.146 1.623 23.604 1.00 79.30 O

ATOM 619 CG2 THR A 75 13.475 0.696 21.423 1.00 76.62 C

ATOM 620 N SER A 76 16.419 -1.121 21.743 1.00 66.40 N

ATOM 621 CA SER A 76 17.350 -1.475 20.684 1.00 60.73 C

ATOM 622 C SER A 76 16.873 -0.898 19.359 1.00 56.63 C

ATOM 623 O SER A 76 15.696 -0.970 19.028 1.00 60.87 O

ATOM 624 CB SER A 76 17.486 -2.993 20.578 1.00 59.73 C

ATOM 625 OG SER A 76 18.066 -3.530 21.751 1.00 70.66 O

ATOM 626 N VAL A 77 17.791 -0.297 18.616 1.00 52.71 N

ATOM 627 CA VAL A 77 17.459 0.265 17.319 1.00 57.18 C

ATOM 628 C VAL A 77 18.202 -0.500 16.244 1.00 55.25 C