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bubble_mod.pdb
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bubble_mod.pdb
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HEADER EXUDATE PROTEIN 26-SEP-03 1UOY
TITLE THE BUBBLE PROTEIN FROM PENICILLIUM BREVICOMPACTUM DIERCKX
TITLE 2 EXUDATE.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BUBBLE PROTEIN;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM BREVICOMPACTUM;
SOURCE 3 ORGANISM_TAXID: 5074;
SOURCE 4 VARIANT: DIERCKX
KEYWDS EXUDATE PROTEIN, SULFUR PHASING, POTENTIAL KILLER TOXIN
EXPDTA X-RAY DIFFRACTION
AUTHOR J.G.OLSEN,C.FLENSBURG,O.OLSEN,M.SEIBOLD,G.BRICOGNE,
AUTHOR 2 A.HENRIKSEN
REVDAT 3 24-FEB-09 1UOY 1 VERSN
REVDAT 2 05-FEB-04 1UOY 1 JRNL
REVDAT 1 04-NOV-03 1UOY 0
JRNL AUTH J.G.OLSEN,C.FLENSBURG,O.OLSEN,G.BRICOGNE,
JRNL AUTH 2 A.HENRIKSEN
JRNL TITL SOLVING THE STRUCTURE OF THE BUBBLE PROTEIN USING
JRNL TITL 2 THE ANOMALOUS SULFUR SIGNAL FROM SINGLE-CRYSTAL
JRNL TITL 3 IN-HOUSE CU KALPHA DIFFRACTION DATA ONLY
JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 60 250 2004
JRNL REFN ISSN 0907-4449
JRNL PMID 14747700
JRNL DOI 10.1107/S0907444903025927
REMARK 2
REMARK 2 RESOLUTION. 1.5 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.21
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 834780.52
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.000000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.8
REMARK 3 NUMBER OF REFLECTIONS : 11234
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.164
REMARK 3 FREE R VALUE : 0.185
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.1
REMARK 3 FREE R VALUE TEST SET COUNT : 908
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.50
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.59
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1707
REMARK 3 BIN R VALUE (WORKING SET) : 0.164
REMARK 3 BIN FREE R VALUE : 0.216
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.3
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 134
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 452
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 129
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 14.0
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.7
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.13
REMARK 3 B22 (A**2) : 0.68
REMARK 3 B33 (A**2) : 0.45
REMARK 3 B12 (A**2) : 0.00
REMARK 3 B13 (A**2) : 0.00
REMARK 3 B23 (A**2) : 0.00
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.12
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.15
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.013
REMARK 3 BOND ANGLES (DEGREES) : 1.7
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.5
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.33
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : 1.38 ; 1.50
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.73 ; 2.00
REMARK 3 SIDE-CHAIN BOND (A**2) : 2.66 ; 2.00
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.63 ; 2.50
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.340968
REMARK 3 BSOL : 37.1916
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM
REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : WATER.TOP
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UOY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 31-OCT-03.
REMARK 100 THE PDBE ID CODE IS EBI-13564.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 15-JAN-02
REMARK 200 TEMPERATURE (KELVIN) : 120.0
REMARK 200 PH : 5.00
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU-H3RHB
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : MIRRORS
REMARK 200 OPTICS : MAX-FLUX OPTICAL SYSTEM
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA)
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11250
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500
REMARK 200 RESOLUTION RANGE LOW (A) : 15.200
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9
REMARK 200 DATA REDUNDANCY : 13.500
REMARK 200 R MERGE (I) : 0.05500
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 8.3000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.58
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 12.30
REMARK 200 R MERGE FOR SHELL (I) : 0.15500
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.600
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: PHASING USING THE ANOMALOUS SIGNAL FROM 8 CYSTEINE
REMARK 200 SULFURS (4 DISULFIDE BRIDGES). THE IMAGE PLATE MODEL USED WAS
REMARK 200 RAXIS IV++
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 52
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.6
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 16 MG/ML PROTEIN IN
REMARK 280 30 MM NA-ACETATE BUFFER, PH 5.0 AT 4 DEG.
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z+1/2
REMARK 290 3555 -X,Y,-Z+1/2
REMARK 290 4555 X,-Y,-Z
REMARK 290 5555 X+1/2,Y+1/2,Z
REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2
REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2
REMARK 290 8555 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 26.70750
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 26.70750
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.80750
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.21800
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.80750
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.21800
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 26.70750
REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.80750
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 29.21800
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 26.70750
REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.80750
REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 29.21800
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 350
REMARK 350 GENERATING THE BIOMOLECULE
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PQS
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 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 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 ASN A 15 -0.13 76.92
REMARK 500 ARG A 32 16.19 58.70
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 SEQUENCE YET TO BE DEPOSITED IN PUBLIC DATABASE
DBREF 1UOY A 1 64 PDB 1UOY 1UOY 1 64
SEQRES 1 A 64 ASP THR CYS GLY SER GLY TYR ASN VAL ASP GLN ARG ARG
SEQRES 2 A 64 THR ASN SER GLY CYS LYS ALA GLY ASN GLY ASP ARG HIS
SEQRES 3 A 64 PHE CYS GLY CYS ASP ARG THR GLY VAL VAL GLU CYS LYS
SEQRES 4 A 64 GLY GLY LYS TRP THR GLU VAL GLN ASP CYS GLY SER SER
SEQRES 5 A 64 SER CYS LYS GLY THR SER ASN GLY GLY ALA THR CYS
FORMUL 2 HOH *129(H2 O1)
HELIX 1 1 LYS A 19 GLY A 23 5 5
SHEET 1 AA 3 HIS A 26 CYS A 28 0
SHEET 2 AA 3 GLY A 34 LYS A 39 -1 O VAL A 36 N PHE A 27
SHEET 3 AA 3 LYS A 42 ASP A 48 -1 O LYS A 42 N LYS A 39
SHEET 1 AB 2 LYS A 55 THR A 57 0
SHEET 2 AB 2 GLY A 60 THR A 63 -1 O GLY A 60 N THR A 57
SSBOND 1 CYS A 3 CYS A 30 1555 1555 2.04
SSBOND 2 CYS A 18 CYS A 38 1555 1555 2.04
SSBOND 3 CYS A 28 CYS A 54 1555 1555 2.04
SSBOND 4 CYS A 49 CYS A 64 1555 1555 2.01
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 0.022928 0.000000 0.000000 0.00000
SCALE2 0.000000 0.017113 0.000000 0.00000
SCALE3 0.000000 0.000000 0.018721 0.00000
CRYST1 43.615 58.436 53.415 90.00 90.00 90.00 C 2 2 21 1
ATOM 1 N ASP A 1 -1.975 13.681 1.305 1.00 0.00 N
ATOM 2 CA ASP A 1 -2.770 14.720 1.986 1.00 0.00 C
ATOM 3 C ASP A 1 -2.208 16.073 1.634 1.00 0.00 C
ATOM 4 O ASP A 1 -1.015 16.183 1.262 1.00 0.00 O
ATOM 5 CB ASP A 1 -2.572 14.585 3.510 1.00 0.00 C
ATOM 6 CG ASP A 1 -3.062 13.279 4.058 1.00 0.00 C
ATOM 7 OD1 ASP A 1 -3.385 12.350 3.295 1.00 0.00 O
ATOM 8 OD2 ASP A 1 -3.091 13.176 5.309 1.00 0.00 O
ATOM 9 N THR A 2 -3.063 17.082 1.704 1.00 0.00 N
ATOM 10 CA THR A 2 -2.567 18.458 1.587 1.00 0.00 C
ATOM 11 C THR A 2 -1.999 18.729 3.003 1.00 0.00 C
ATOM 12 O THR A 2 -2.145 17.926 3.938 1.00 0.00 O
ATOM 13 CB THR A 2 -3.664 19.455 1.226 1.00 0.00 C
ATOM 14 OG1 THR A 2 -4.695 19.366 2.209 1.00 0.00 O
ATOM 15 CG2 THR A 2 -4.278 19.164 -0.138 1.00 0.00 C
ATOM 16 N CYS A 3 -1.383 19.899 3.170 1.00 0.00 N
ATOM 17 CA CYS A 3 -0.761 20.227 4.434 1.00 0.00 C
ATOM 18 C CYS A 3 -1.690 20.801 5.476 1.00 0.00 C
ATOM 19 O CYS A 3 -1.331 20.803 6.661 1.00 0.00 O
ATOM 20 CB CYS A 3 0.390 21.191 4.175 1.00 0.00 C
ATOM 21 SG CYS A 3 1.743 20.404 3.240 1.00 0.00 S
ATOM 22 N GLY A 4 -2.879 21.230 5.054 1.00 0.00 N
ATOM 23 CA GLY A 4 -3.790 21.801 6.035 1.00 0.00 C
ATOM 24 C GLY A 4 -3.896 23.318 5.995 1.00 0.00 C
ATOM 25 O GLY A 4 -3.425 24.010 5.090 1.00 0.00 O
ATOM 26 N SER A 5 -4.614 23.822 6.989 1.00 0.00 N
ATOM 27 CA SER A 5 -4.858 25.243 7.098 1.00 0.00 C
ATOM 28 C SER A 5 -3.555 26.034 7.191 1.00 0.00 C
ATOM 29 O SER A 5 -2.638 25.686 7.940 1.00 0.00 O
ATOM 30 CB SER A 5 -5.721 25.511 8.338 1.00 0.00 C
ATOM 31 OG SER A 5 -6.059 26.892 8.403 1.00 0.00 O
ATOM 32 N GLY A 6 -3.491 27.112 6.419 1.00 0.00 N
ATOM 33 CA GLY A 6 -2.295 27.945 6.399 1.00 0.00 C
ATOM 34 C GLY A 6 -1.312 27.601 5.306 1.00 0.00 C
ATOM 35 O GLY A 6 -0.307 28.301 5.140 1.00 0.00 O
ATOM 36 N TYR A 7 -1.538 26.462 4.648 1.00 0.00 N
ATOM 37 CA TYR A 7 -0.656 26.019 3.588 1.00 0.00 C
ATOM 38 C TYR A 7 -1.336 26.230 2.229 1.00 0.00 C
ATOM 39 O TYR A 7 -2.541 26.434 2.135 1.00 0.00 O
ATOM 40 CB TYR A 7 -0.287 24.558 3.850 1.00 0.00 C
ATOM 41 CG TYR A 7 0.567 24.357 5.070 1.00 0.00 C
ATOM 42 CD1 TYR A 7 1.935 24.532 5.023 1.00 0.00 C
ATOM 43 CD2 TYR A 7 -0.023 23.973 6.278 1.00 0.00 C
ATOM 44 CE1 TYR A 7 2.723 24.319 6.154 1.00 0.00 C
ATOM 45 CE2 TYR A 7 0.747 23.761 7.405 1.00 0.00 C
ATOM 46 CZ TYR A 7 2.117 23.934 7.326 1.00 0.00 C
ATOM 47 OH TYR A 7 2.886 23.662 8.445 1.00 0.00 O
ATOM 48 N ASN A 8 -0.521 26.168 1.182 1.00 0.00 N
ATOM 49 CA ASN A 8 -0.942 26.515 -0.167 1.00 0.00 C
ATOM 50 C ASN A 8 -1.256 25.343 -1.072 1.00 0.00 C
ATOM 51 O ASN A 8 -0.895 24.190 -0.741 1.00 0.00 O
ATOM 52 CB ASN A 8 0.157 27.409 -0.780 1.00 0.00 C
ATOM 53 CG ASN A 8 -0.325 28.252 -1.940 1.00 0.00 C
ATOM 54 OD1 ASN A 8 -1.432 28.777 -1.917 1.00 0.00 O
ATOM 55 ND2 ASN A 8 0.487 28.351 -2.981 1.00 0.00 N
ATOM 56 N VAL A 9 -1.928 25.657 -2.187 1.00 0.00 N
ATOM 57 CA VAL A 9 -2.379 24.632 -3.114 1.00 0.00 C
ATOM 58 C VAL A 9 -1.260 23.881 -3.797 1.00 0.00 C
ATOM 59 O VAL A 9 -1.544 22.865 -4.420 1.00 0.00 O
ATOM 60 CB VAL A 9 -3.342 25.214 -4.188 1.00 0.00 C
ATOM 61 CG1 VAL A 9 -4.671 25.639 -3.502 1.00 0.00 C
ATOM 62 CG2 VAL A 9 -2.704 26.365 -4.913 1.00 0.00 C
ATOM 63 N ASP A 10 -0.025 24.409 -3.726 1.00 0.00 N
ATOM 64 CA ASP A 10 1.100 23.685 -4.348 1.00 0.00 C
ATOM 65 C ASP A 10 1.798 22.798 -3.327 1.00 0.00 C
ATOM 66 O ASP A 10 2.874 22.299 -3.648 1.00 0.00 O
ATOM 67 CB ASP A 10 2.127 24.679 -4.955 1.00 0.00 C
ATOM 68 CG ASP A 10 2.782 25.562 -3.922 1.00 0.00 C
ATOM 69 OD1 ASP A 10 2.151 25.855 -2.874 1.00 0.00 O
ATOM 70 OD2 ASP A 10 3.901 26.030 -4.200 1.00 0.00 O
ATOM 71 N GLN A 11 1.198 22.547 -2.160 1.00 0.00 N
ATOM 72 CA GLN A 11 1.859 21.774 -1.116 1.00 0.00 C
ATOM 73 C GLN A 11 1.171 20.469 -0.797 1.00 0.00 C
ATOM 74 O GLN A 11 -0.077 20.392 -0.860 1.00 0.00 O
ATOM 75 CB GLN A 11 1.970 22.615 0.143 1.00 0.00 C
ATOM 76 CG GLN A 11 2.793 23.859 -0.101 1.00 0.00 C
ATOM 77 CD GLN A 11 3.022 24.633 1.163 1.00 0.00 C
ATOM 78 OE1 GLN A 11 2.168 25.428 1.600 1.00 0.00 O
ATOM 79 NE2 GLN A 11 4.181 24.391 1.803 1.00 0.00 N
ATOM 80 N ARG A 12 1.985 19.451 -0.498 1.00 0.00 N
ATOM 81 CA ARG A 12 1.501 18.124 -0.123 1.00 0.00 C
ATOM 82 C ARG A 12 2.368 17.667 1.008 1.00 0.00 C
ATOM 83 O ARG A 12 3.564 18.016 1.089 1.00 0.00 O
ATOM 84 CB ARG A 12 1.580 17.130 -1.297 1.00 0.00 C
ATOM 85 CG ARG A 12 0.737 17.546 -2.485 1.00 0.00 C
ATOM 86 CD ARG A 12 -0.756 17.362 -2.211 1.00 0.00 C
ATOM 87 NE ARG A 12 -1.567 17.580 -3.413 1.00 0.00 N
ATOM 88 CZ ARG A 12 -1.938 18.759 -3.882 1.00 0.00 C
ATOM 89 NH1 ARG A 12 -1.571 19.887 -3.267 1.00 0.00 N
ATOM 90 NH2 ARG A 12 -2.675 18.826 -4.995 1.00 0.00 N
ATOM 91 N ARG A 13 1.790 16.890 1.928 1.00 0.00 N
ATOM 92 CA ARG A 13 2.547 16.505 3.109 1.00 0.00 C
ATOM 93 C ARG A 13 3.452 15.313 2.817 1.00 0.00 C
ATOM 94 O ARG A 13 2.965 14.224 2.449 1.00 0.00 O
ATOM 95 CB ARG A 13 1.577 16.236 4.281 1.00 0.00 C
ATOM 96 CG ARG A 13 2.350 15.900 5.552 1.00 0.00 C
ATOM 97 CD ARG A 13 1.374 15.910 6.779 1.00 0.00 C
ATOM 98 NE ARG A 13 0.883 17.263 7.039 1.00 0.00 N
ATOM 99 CZ ARG A 13 1.541 18.202 7.730 1.00 0.00 C
ATOM 100 NH1 ARG A 13 2.736 17.947 8.260 1.00 0.00 N
ATOM 101 NH2 ARG A 13 1.006 19.408 7.894 1.00 0.00 N
ATOM 102 N THR A 14 4.760 15.512 2.980 1.00 0.00 N
ATOM 103 CA THR A 14 5.700 14.444 2.732 1.00 0.00 C
ATOM 104 C THR A 14 5.322 13.200 3.574 1.00 0.00 C
ATOM 105 O THR A 14 4.981 13.296 4.768 1.00 0.00 O
ATOM 106 CB THR A 14 7.123 14.898 3.065 1.00 0.00 C
ATOM 107 OG1 THR A 14 7.355 16.170 2.429 1.00 0.00 O
ATOM 108 CG2 THR A 14 8.159 13.881 2.601 1.00 0.00 C
ATOM 109 N ASN A 15 5.347 12.068 2.891 1.00 0.00 N
ATOM 110 CA ASN A 15 5.074 10.745 3.436 1.00 0.00 C
ATOM 111 C ASN A 15 3.596 10.446 3.661 1.00 0.00 C
ATOM 112 O ASN A 15 3.242 9.381 4.136 1.00 0.00 O
ATOM 113 CB ASN A 15 5.936 10.491 4.692 1.00 0.00 C
ATOM 114 CG ASN A 15 7.391 10.597 4.374 1.00 0.00 C
ATOM 115 OD1 ASN A 15 7.829 10.173 3.303 1.00 0.00 O
ATOM 116 ND2 ASN A 15 8.163 11.178 5.289 1.00 0.00 N
ATOM 117 N SER A 16 2.729 11.401 3.347 1.00 0.00 N
ATOM 118 CA SER A 16 1.291 11.120 3.449 1.00 0.00 C
ATOM 119 C SER A 16 0.823 10.407 2.183 1.00 0.00 C
ATOM 120 O SER A 16 1.535 10.309 1.174 1.00 0.00 O
ATOM 121 CB SER A 16 0.503 12.417 3.645 1.00 0.00 C
ATOM 122 OG SER A 16 0.518 13.271 2.493 1.00 0.00 O
ATOM 123 N GLY A 17 -0.392 9.871 2.226 1.00 0.00 N
ATOM 124 CA GLY A 17 -0.900 9.141 1.081 1.00 0.00 C
ATOM 125 C GLY A 17 -1.174 9.994 -0.157 1.00 0.00 C
ATOM 126 O GLY A 17 -1.442 11.190 -0.042 1.00 0.00 O
ATOM 127 N CYS A 18 -1.142 9.357 -1.327 1.00 0.00 N
ATOM 128 CA CYS A 18 -1.385 10.067 -2.595 1.00 0.00 C
ATOM 129 C CYS A 18 -1.957 9.128 -3.644 1.00 0.00 C
ATOM 130 O CYS A 18 -1.532 7.974 -3.779 1.00 0.00 O
ATOM 131 CB CYS A 18 -0.087 10.749 -3.097 1.00 0.00 C
ATOM 132 SG CYS A 18 1.292 9.614 -3.380 1.00 0.00 S
ATOM 133 N LYS A 19 -2.925 9.666 -4.360 1.00 0.00 N
ATOM 134 CA LYS A 19 -3.626 8.924 -5.414 1.00 0.00 C
ATOM 135 C LYS A 19 -2.725 8.674 -6.606 1.00 0.00 C
ATOM 136 O LYS A 19 -1.906 9.513 -7.012 1.00 0.00 O
ATOM 137 CB LYS A 19 -4.833 9.713 -5.904 1.00 0.00 C
ATOM 138 CG LYS A 19 -5.901 9.891 -4.850 1.00 0.00 C
ATOM 139 CD LYS A 19 -7.112 10.649 -5.342 1.00 0.00 C
ATOM 140 CE LYS A 19 -7.568 11.567 -4.218 1.00 0.00 C
ATOM 141 NZ LYS A 19 -8.003 10.816 -2.979 1.00 0.00 N
ATOM 142 N ALA A 20 -2.932 7.518 -7.213 1.00 0.00 N
ATOM 143 CA ALA A 20 -2.074 7.156 -8.329 1.00 0.00 C
ATOM 144 C ALA A 20 -2.175 8.119 -9.535 1.00 0.00 C
ATOM 145 O ALA A 20 -1.183 8.285 -10.271 1.00 0.00 O
ATOM 146 CB ALA A 20 -2.389 5.735 -8.760 1.00 0.00 C
ATOM 147 N GLY A 21 -3.341 8.737 -9.726 1.00 0.00 N
ATOM 148 CA GLY A 21 -3.549 9.692 -10.816 1.00 0.00 C
ATOM 149 C GLY A 21 -2.643 10.910 -10.753 1.00 0.00 C
ATOM 150 O GLY A 21 -2.558 11.655 -11.714 1.00 0.00 O
ATOM 151 N ASN A 22 -1.982 11.137 -9.622 1.00 0.00 N
ATOM 152 CA ASN A 22 -1.037 12.234 -9.543 1.00 0.00 C
ATOM 153 C ASN A 22 0.084 12.049 -10.565 1.00 0.00 C
ATOM 154 O ASN A 22 0.696 13.050 -10.989 1.00 0.00 O
ATOM 155 CB ASN A 22 -0.426 12.309 -8.130 1.00 0.00 C
ATOM 156 CG ASN A 22 -1.328 13.021 -7.170 1.00 0.00 C
ATOM 157 OD1 ASN A 22 -1.484 14.228 -7.259 1.00 0.00 O
ATOM 158 ND2 ASN A 22 -1.923 12.291 -6.228 1.00 0.00 N
ATOM 159 N GLY A 23 0.333 10.810 -10.980 1.00 0.00 N
ATOM 160 CA GLY A 23 1.400 10.600 -11.943 1.00 0.00 C
ATOM 161 C GLY A 23 2.703 11.161 -11.400 1.00 0.00 C
ATOM 162 O GLY A 23 2.999 11.006 -10.186 1.00 0.00 O
ATOM 163 N ASP A 24 3.493 11.811 -12.269 1.00 0.00 N
ATOM 164 CA ASP A 24 4.766 12.326 -11.824 1.00 0.00 C
ATOM 165 C ASP A 24 4.748 13.784 -11.480 1.00 0.00 C
ATOM 166 O ASP A 24 5.783 14.424 -11.480 1.00 0.00 O
ATOM 167 CB ASP A 24 5.858 12.011 -12.853 1.00 0.00 C
ATOM 168 CG ASP A 24 5.622 12.632 -14.214 1.00 0.00 C
ATOM 169 OD1 ASP A 24 4.791 13.553 -14.375 1.00 0.00 O
ATOM 170 OD2 ASP A 24 6.337 12.204 -15.162 1.00 0.00 O
ATOM 171 N ARG A 25 3.568 14.307 -11.135 1.00 0.00 N
ATOM 172 CA ARG A 25 3.514 15.725 -10.715 1.00 0.00 C
ATOM 173 C ARG A 25 4.424 15.954 -9.518 1.00 0.00 C
ATOM 174 O ARG A 25 4.515 15.132 -8.585 1.00 0.00 O
ATOM 175 CB ARG A 25 2.092 16.087 -10.269 1.00 0.00 C
ATOM 176 CG ARG A 25 1.099 16.279 -11.408 1.00 0.00 C
ATOM 177 CD ARG A 25 -0.240 16.619 -10.771 1.00 0.00 C
ATOM 178 NE ARG A 25 -1.399 16.772 -11.671 1.00 0.00 N
ATOM 179 CZ ARG A 25 -2.136 15.762 -12.113 1.00 0.00 C
ATOM 180 NH1 ARG A 25 -1.811 14.492 -11.904 1.00 0.00 N
ATOM 181 NH2 ARG A 25 -3.365 16.016 -12.595 1.00 0.00 N
ATOM 182 N HIS A 26 5.049 17.129 -9.522 1.00 0.00 N
ATOM 183 CA HIS A 26 5.904 17.535 -8.407 1.00 0.00 C
ATOM 184 C HIS A 26 5.249 18.662 -7.646 1.00 0.00 C
ATOM 185 O HIS A 26 4.807 19.661 -8.218 1.00 0.00 O
ATOM 186 CB HIS A 26 7.241 18.009 -8.967 1.00 0.00 C
ATOM 187 CG HIS A 26 8.123 16.886 -9.334 1.00 0.00 C
ATOM 188 ND1 HIS A 26 9.410 17.081 -9.778 1.00 0.00 N
ATOM 189 CD2 HIS A 26 7.920 15.556 -9.293 1.00 0.00 C
ATOM 190 CE1 HIS A 26 9.965 15.897 -9.997 1.00 0.00 C
ATOM 191 NE2 HIS A 26 9.079 14.960 -9.717 1.00 0.00 N
ATOM 192 N PHE A 27 5.168 18.461 -6.341 1.00 0.00 N
ATOM 193 CA PHE A 27 4.619 19.440 -5.403 1.00 0.00 C
ATOM 194 C PHE A 27 5.667 19.794 -4.356 1.00 0.00 C
ATOM 195 O PHE A 27 6.749 19.205 -4.353 1.00 0.00 O
ATOM 196 CB PHE A 27 3.359 18.877 -4.704 1.00 0.00 C
ATOM 197 CG PHE A 27 2.160 18.813 -5.625 1.00 0.00 C
ATOM 198 CD1 PHE A 27 1.361 19.933 -5.806 1.00 0.00 C
ATOM 199 CD2 PHE A 27 1.854 17.662 -6.307 1.00 0.00 C
ATOM 200 CE1 PHE A 27 0.240 19.879 -6.667 1.00 0.00 C
ATOM 201 CE2 PHE A 27 0.743 17.590 -7.173 1.00 0.00 C
ATOM 202 CZ PHE A 27 -0.062 18.686 -7.352 1.00 0.00 C
ATOM 203 N CYS A 28 5.371 20.779 -3.511 1.00 0.00 N
ATOM 204 CA CYS A 28 6.272 21.146 -2.431 1.00 0.00 C
ATOM 205 C CYS A 28 5.811 20.520 -1.144 1.00 0.00 C
ATOM 206 O CYS A 28 4.599 20.394 -0.919 1.00 0.00 O
ATOM 207 CB CYS A 28 6.255 22.644 -2.225 1.00 0.00 C
ATOM 208 SG CYS A 28 6.960 23.559 -3.608 1.00 0.00 S
ATOM 209 N GLY A 29 6.758 20.119 -0.278 1.00 0.00 N
ATOM 210 CA GLY A 29 6.378 19.655 1.047 1.00 0.00 C
ATOM 211 C GLY A 29 5.889 20.844 1.862 1.00 0.00 C
ATOM 212 O GLY A 29 5.971 22.012 1.456 1.00 0.00 O
ATOM 213 N CYS A 30 5.356 20.553 3.032 1.00 0.00 N
ATOM 214 CA CYS A 30 4.796 21.603 3.851 1.00 0.00 C
ATOM 215 C CYS A 30 5.781 22.682 4.274 1.00 0.00 C
ATOM 216 O CYS A 30 5.420 23.869 4.300 1.00 0.00 O
ATOM 217 CB CYS A 30 4.072 21.054 5.084 1.00 0.00 C
ATOM 218 SG CYS A 30 2.934 19.673 4.726 1.00 0.00 S
ATOM 219 N ASP A 31 7.003 22.290 4.613 1.00 0.00 N
ATOM 220 CA ASP A 31 7.975 23.306 4.990 1.00 0.00 C
ATOM 221 C ASP A 31 8.799 23.854 3.863 1.00 0.00 C
ATOM 222 O ASP A 31 9.678 24.678 4.086 1.00 0.00 O
ATOM 223 CB ASP A 31 8.866 22.821 6.137 1.00 0.00 C
ATOM 224 CG ASP A 31 9.802 21.704 5.748 1.00 0.00 C
ATOM 225 OD1 ASP A 31 9.948 21.378 4.548 1.00 0.00 O
ATOM 226 OD2 ASP A 31 10.459 21.151 6.686 1.00 0.00 O
ATOM 227 N ARG A 32 8.413 23.480 2.631 1.00 0.00 N
ATOM 228 CA ARG A 32 9.062 23.908 1.396 1.00 0.00 C
ATOM 229 C ARG A 32 10.519 23.560 1.284 1.00 0.00 C
ATOM 230 O ARG A 32 11.195 24.044 0.399 1.00 0.00 O
ATOM 231 CB ARG A 32 8.836 25.408 1.139 1.00 0.00 C
ATOM 232 CG ARG A 32 7.335 25.705 0.939 1.00 0.00 C
ATOM 233 CD ARG A 32 7.154 27.139 0.373 1.00 0.00 C
ATOM 234 NE ARG A 32 5.711 27.415 0.200 1.00 0.00 N
ATOM 235 CZ ARG A 32 4.997 27.048 -0.867 1.00 0.00 C
ATOM 236 NH1 ARG A 32 5.574 26.413 -1.890 1.00 0.00 N
ATOM 237 NH2 ARG A 32 3.672 27.233 -0.866 1.00 0.00 N
ATOM 238 N THR A 33 11.001 22.642 2.114 1.00 0.00 N
ATOM 239 CA THR A 33 12.406 22.237 2.013 1.00 0.00 C
ATOM 240 C THR A 33 12.630 21.081 1.072 1.00 0.00 C
ATOM 241 O THR A 33 13.767 20.670 0.874 1.00 0.00 O
ATOM 242 CB THR A 33 13.072 21.859 3.374 1.00 0.00 C
ATOM 243 OG1 THR A 33 12.437 20.683 3.899 1.00 0.00 O
ATOM 244 CG2 THR A 33 12.977 23.025 4.369 1.00 0.00 C
ATOM 245 N GLY A 34 11.547 20.607 0.434 1.00 0.00 N
ATOM 246 CA GLY A 34 11.701 19.534 -0.509 1.00 0.00 C
ATOM 247 C GLY A 34 10.595 19.505 -1.546 1.00 0.00 C
ATOM 248 O GLY A 34 9.520 20.023 -1.334 1.00 0.00 O
ATOM 249 N VAL A 35 10.942 18.922 -2.671 1.00 0.00 N
ATOM 250 CA VAL A 35 10.021 18.652 -3.760 1.00 0.00 C
ATOM 251 C VAL A 35 9.563 17.228 -3.581 1.00 0.00 C
ATOM 252 O VAL A 35 10.411 16.313 -3.370 1.00 0.00 O
ATOM 253 CB VAL A 35 10.720 18.753 -5.084 1.00 0.00 C
ATOM 254 CG1 VAL A 35 9.729 18.409 -6.225 1.00 0.00 C
ATOM 255 CG2 VAL A 35 11.240 20.191 -5.261 1.00 0.00 C
ATOM 256 N VAL A 36 8.244 16.962 -3.657 1.00 0.00 N
ATOM 257 CA VAL A 36 7.733 15.591 -3.500 1.00 0.00 C
ATOM 258 C VAL A 36 6.981 15.114 -4.750 1.00 0.00 C
ATOM 259 O VAL A 36 6.393 15.917 -5.500 1.00 0.00 O
ATOM 260 CB VAL A 36 6.794 15.486 -2.259 1.00 0.00 C
ATOM 261 CG1 VAL A 36 7.608 15.763 -0.949 1.00 0.00 C
ATOM 262 CG2 VAL A 36 5.664 16.550 -2.301 1.00 0.00 C
ATOM 263 N GLU A 37 6.946 13.786 -4.906 1.00 0.00 N
ATOM 264 CA GLU A 37 6.293 13.144 -6.050 1.00 0.00 C
ATOM 265 C GLU A 37 5.563 11.948 -5.472 1.00 0.00 C
ATOM 266 O GLU A 37 6.036 11.325 -4.527 1.00 0.00 O
ATOM 267 CB GLU A 37 7.373 12.675 -7.069 1.00 0.00 C
ATOM 268 CG GLU A 37 6.756 12.064 -8.349 1.00 0.00 C
ATOM 269 CD GLU A 37 7.802 11.605 -9.309 1.00 0.00 C
ATOM 270 OE1 GLU A 37 8.905 12.182 -9.371 1.00 0.00 O
ATOM 271 OE2 GLU A 37 7.526 10.636 -10.036 1.00 0.00 O
ATOM 272 N CYS A 38 4.432 11.571 -6.068 1.00 0.00 N
ATOM 273 CA CYS A 38 3.696 10.415 -5.592 1.00 0.00 C
ATOM 274 C CYS A 38 4.343 9.137 -6.095 1.00 0.00 C
ATOM 275 O CYS A 38 4.313 8.859 -7.292 1.00 0.00 O
ATOM 276 CB CYS A 38 2.254 10.555 -6.066 1.00 0.00 C
ATOM 277 SG CYS A 38 1.217 9.210 -5.383 1.00 0.00 S
ATOM 278 N LYS A 39 4.942 8.405 -5.180 1.00 0.00 N
ATOM 279 CA LYS A 39 5.615 7.142 -5.513 1.00 0.00 C
ATOM 280 C LYS A 39 5.194 6.078 -4.507 1.00 0.00 C
ATOM 281 O LYS A 39 5.267 6.273 -3.301 1.00 0.00 O
ATOM 282 CB LYS A 39 7.139 7.315 -5.442 1.00 0.00 C
ATOM 283 CG LYS A 39 7.662 8.360 -6.440 1.00 0.00 C
ATOM 284 CD LYS A 39 9.178 8.508 -6.280 1.00 0.00 C
ATOM 285 CE LYS A 39 9.774 9.136 -7.495 1.00 0.00 C
ATOM 286 NZ LYS A 39 9.672 8.224 -8.666 1.00 0.00 N
ATOM 287 N GLY A 40 4.748 4.944 -5.033 1.00 0.00 N
ATOM 288 CA GLY A 40 4.349 3.876 -4.121 1.00 0.00 C
ATOM 289 C GLY A 40 3.270 4.291 -3.129 1.00 0.00 C
ATOM 290 O GLY A 40 3.249 3.828 -1.982 1.00 0.00 O
ATOM 291 N GLY A 41 2.397 5.182 -3.584 1.00 0.00 N
ATOM 292 CA GLY A 41 1.283 5.620 -2.782 1.00 0.00 C
ATOM 293 C GLY A 41 1.545 6.635 -1.716 1.00 0.00 C
ATOM 294 O GLY A 41 0.657 6.914 -0.925 1.00 0.00 O
ATOM 295 N LYS A 42 2.764 7.166 -1.682 1.00 0.00 N
ATOM 296 CA LYS A 42 3.100 8.169 -0.699 1.00 0.00 C
ATOM 297 C LYS A 42 3.840 9.339 -1.326 1.00 0.00 C
ATOM 298 O LYS A 42 4.608 9.159 -2.280 1.00 0.00 O
ATOM 299 CB LYS A 42 4.016 7.553 0.372 1.00 0.00 C
ATOM 300 CG LYS A 42 3.408 6.355 1.103 1.00 0.00 C
ATOM 301 CD LYS A 42 2.215 6.742 1.989 1.00 0.00 C
ATOM 302 CE LYS A 42 1.580 5.502 2.668 1.00 0.00 C
ATOM 303 NZ LYS A 42 0.129 5.714 3.093 1.00 0.00 N
ATOM 304 N TRP A 43 3.582 10.540 -0.806 1.00 0.00 N
ATOM 305 CA TRP A 43 4.363 11.703 -1.264 1.00 0.00 C
ATOM 306 C TRP A 43 5.800 11.498 -0.820 1.00 0.00 C
ATOM 307 O TRP A 43 6.103 11.431 0.354 1.00 0.00 O
ATOM 308 CB TRP A 43 3.806 13.018 -0.708 1.00 0.00 C
ATOM 309 CG TRP A 43 2.517 13.364 -1.373 1.00 0.00 C
ATOM 310 CD1 TRP A 43 1.258 13.311 -0.809 1.00 0.00 C
ATOM 311 CD2 TRP A 43 2.342 13.758 -2.726 1.00 0.00 C
ATOM 312 NE1 TRP A 43 0.325 13.646 -1.740 1.00 0.00 N
ATOM 313 CE2 TRP A 43 0.954 13.924 -2.927 1.00 0.00 C
ATOM 314 CE3 TRP A 43 3.215 13.986 -3.801 1.00 0.00 C
ATOM 315 CZ2 TRP A 43 0.418 14.288 -4.155 1.00 0.00 C
ATOM 316 CZ3 TRP A 43 2.667 14.341 -5.054 1.00 0.00 C
ATOM 317 CH2 TRP A 43 1.284 14.479 -5.200 1.00 0.00 C
ATOM 318 N THR A 44 6.709 11.422 -1.773 1.00 0.00 N
ATOM 319 CA THR A 44 8.104 11.042 -1.512 1.00 0.00 C
ATOM 320 C THR A 44 8.996 12.156 -1.954 1.00 0.00 C
ATOM 321 O THR A 44 8.861 12.673 -3.078 1.00 0.00 O
ATOM 322 CB THR A 44 8.374 9.767 -2.346 1.00 0.00 C
ATOM 323 OG1 THR A 44 7.480 8.729 -1.923 1.00 0.00 O
ATOM 324 CG2 THR A 44 9.786 9.238 -2.162 1.00 0.00 C
ATOM 325 N GLU A 45 9.934 12.523 -1.094 1.00 0.00 N
ATOM 326 CA GLU A 45 10.839 13.624 -1.454 1.00 0.00 C
ATOM 327 C GLU A 45 11.804 13.185 -2.552 1.00 0.00 C
ATOM 328 O GLU A 45 12.499 12.163 -2.393 1.00 0.00 O
ATOM 329 CB GLU A 45 11.614 14.109 -0.226 1.00 0.00 C
ATOM 330 CG GLU A 45 12.482 15.331 -0.535 1.00 0.00 C
ATOM 331 CD GLU A 45 13.046 15.956 0.704 1.00 0.00 C
ATOM 332 OE1 GLU A 45 14.226 15.677 1.019 1.00 0.00 O
ATOM 333 OE2 GLU A 45 12.305 16.697 1.378 1.00 0.00 O
ATOM 334 N VAL A 46 11.766 13.927 -3.658 1.00 0.00 N
ATOM 335 CA VAL A 46 12.649 13.653 -4.807 1.00 0.00 C
ATOM 336 C VAL A 46 13.790 14.650 -4.954 1.00 0.00 C
ATOM 337 O VAL A 46 14.743 14.407 -5.727 1.00 0.00 O
ATOM 338 CB VAL A 46 11.861 13.535 -6.140 1.00 0.00 C
ATOM 339 CG1 VAL A 46 10.943 12.297 -6.094 1.00 0.00 C
ATOM 340 CG2 VAL A 46 11.077 14.785 -6.418 1.00 0.00 C
ATOM 341 N GLN A 47 13.724 15.753 -4.210 1.00 0.00 N
ATOM 342 CA GLN A 47 14.822 16.697 -4.191 1.00 0.00 C
ATOM 343 C GLN A 47 14.764 17.409 -2.871 1.00 0.00 C
ATOM 344 O GLN A 47 13.694 17.827 -2.404 1.00 0.00 O
ATOM 345 CB GLN A 47 14.744 17.724 -5.309 1.00 0.00 C
ATOM 346 CG GLN A 47 15.993 18.658 -5.311 1.00 0.00 C
ATOM 347 CD GLN A 47 15.965 19.684 -6.456 1.00 0.00 C
ATOM 348 OE1 GLN A 47 15.187 19.574 -7.419 1.00 0.00 O
ATOM 349 NE2 GLN A 47 16.828 20.679 -6.362 1.00 0.00 N
ATOM 350 N ASP A 48 15.914 17.500 -2.213 1.00 0.00 N
ATOM 351 CA ASP A 48 16.014 18.227 -0.960 1.00 0.00 C
ATOM 352 C ASP A 48 16.480 19.634 -1.274 1.00 0.00 C
ATOM 353 O ASP A 48 17.631 19.828 -1.706 1.00 0.00 O
ATOM 354 CB ASP A 48 17.053 17.548 -0.053 1.00 0.00 C
ATOM 355 CG ASP A 48 17.022 18.037 1.365 1.00 0.00 C
ATOM 356 OD1 ASP A 48 16.368 19.070 1.658 1.00 0.00 O
ATOM 357 OD2 ASP A 48 17.682 17.401 2.245 1.00 0.00 O
ATOM 358 N CYS A 49 15.601 20.620 -1.093 1.00 0.00 N
ATOM 359 CA CYS A 49 15.957 22.000 -1.326 1.00 0.00 C
ATOM 360 C CYS A 49 16.881 22.537 -0.257 1.00 0.00 C
ATOM 361 O CYS A 49 17.544 23.538 -0.466 1.00 0.00 O
ATOM 362 CB CYS A 49 14.675 22.866 -1.392 1.00 0.00 C
ATOM 363 SG CYS A 49 13.459 22.342 -2.624 1.00 0.00 S
ATOM 364 N GLY A 50 16.909 21.847 0.883 1.00 0.00 N
ATOM 365 CA GLY A 50 17.750 22.284 2.005 1.00 0.00 C
ATOM 366 C GLY A 50 17.006 23.361 2.751 1.00 0.00 C
ATOM 367 O GLY A 50 16.408 23.084 3.797 1.00 0.00 O
ATOM 368 N SER A 51 17.059 24.566 2.204 1.00 0.00 N
ATOM 369 CA SER A 51 16.278 25.679 2.749 1.00 0.00 C
ATOM 370 C SER A 51 14.820 25.582 2.204 1.00 0.00 C
ATOM 371 O SER A 51 14.502 24.768 1.295 1.00 0.00 O
ATOM 372 CB SER A 51 16.912 26.987 2.336 1.00 0.00 C
ATOM 373 OG SER A 51 16.981 27.023 0.899 1.00 0.00 O
ATOM 374 N SER A 52 13.953 26.412 2.778 1.00 0.00 N
ATOM 375 CA SER A 52 12.508 26.399 2.493 1.00 0.00 C
ATOM 376 C SER A 52 12.149 27.118 1.207 1.00 0.00 C
ATOM 377 O SER A 52 11.296 27.980 1.229 1.00 0.00 O
ATOM 378 CB SER A 52 11.769 27.044 3.677 1.00 0.00 C
ATOM 379 OG SER A 52 12.352 28.307 4.003 1.00 0.00 O
ATOM 380 N SER A 53 12.804 26.753 0.107 1.00 0.00 N
ATOM 381 CA SER A 53 12.643 27.490 -1.130 1.00 0.00 C
ATOM 382 C SER A 53 11.713 26.949 -2.187 1.00 0.00 C
ATOM 383 O SER A 53 11.513 27.599 -3.228 1.00 0.00 O
ATOM 384 CB SER A 53 14.025 27.676 -1.768 1.00 0.00 C
ATOM 385 OG SER A 53 14.485 26.411 -2.251 1.00 0.00 O
ATOM 386 N CYS A 54 11.145 25.770 -1.965 1.00 0.00 N
ATOM 387 CA CYS A 54 10.309 25.161 -3.023 1.00 0.00 C
ATOM 388 C CYS A 54 9.107 26.013 -3.417 1.00 0.00 C
ATOM 389 O CYS A 54 8.493 26.647 -2.554 1.00 0.00 O
ATOM 390 CB CYS A 54 9.833 23.792 -2.526 1.00 0.00 C
ATOM 391 SG CYS A 54 8.859 22.821 -3.732 1.00 0.00 S
ATOM 392 N LYS A 55 8.793 26.028 -4.718 1.00 0.00 N
ATOM 393 CA LYS A 55 7.552 26.692 -5.180 1.00 0.00 C
ATOM 394 C LYS A 55 7.002 25.902 -6.365 1.00 0.00 C
ATOM 395 O LYS A 55 7.757 25.327 -7.158 1.00 0.00 O
ATOM 396 CB LYS A 55 7.736 28.162 -5.606 1.00 0.00 C
ATOM 397 CG LYS A 55 8.698 28.362 -6.771 1.00 0.00 C
ATOM 398 CD LYS A 55 10.154 28.376 -6.208 1.00 0.00 C
ATOM 399 CE LYS A 55 11.169 28.971 -7.162 1.00 0.00 C
ATOM 400 NZ LYS A 55 12.528 28.870 -6.581 1.00 0.00 N
ATOM 401 N GLY A 56 5.675 25.871 -6.483 1.00 0.00 N
ATOM 402 CA GLY A 56 5.064 25.205 -7.601 1.00 0.00 C
ATOM 403 C GLY A 56 3.673 25.748 -7.777 1.00 0.00 C
ATOM 404 O GLY A 56 3.346 26.888 -7.395 1.00 0.00 O
ATOM 405 N THR A 57 2.836 24.922 -8.392 1.00 0.00 N
ATOM 406 CA THR A 57 1.461 25.320 -8.651 1.00 0.00 C
ATOM 407 C THR A 57 0.497 24.236 -8.194 1.00 0.00 C
ATOM 408 O THR A 57 0.880 23.120 -7.817 1.00 0.00 O
ATOM 409 CB THR A 57 1.184 25.547 -10.179 1.00 0.00 C
ATOM 410 OG1 THR A 57 1.018 24.285 -10.862 1.00 0.00 O
ATOM 411 CG2 THR A 57 2.326 26.303 -10.836 1.00 0.00 C
ATOM 412 N SER A 58 -0.792 24.557 -8.254 1.00 0.00 N
ATOM 413 CA SER A 58 -1.812 23.604 -7.871 1.00 0.00 C
ATOM 414 C SER A 58 -1.859 22.385 -8.803 1.00 0.00 C
ATOM 415 O SER A 58 -2.469 21.382 -8.462 1.00 0.00 O
ATOM 416 CB SER A 58 -3.188 24.288 -7.881 1.00 0.00 C
ATOM 417 OG SER A 58 -3.513 24.693 -9.206 1.00 0.00 O
ATOM 418 N ASN A 59 -1.178 22.491 -9.940 1.00 0.00 N
ATOM 419 CA ASN A 59 -1.165 21.390 -10.899 1.00 0.00 C
ATOM 420 C ASN A 59 0.181 20.703 -10.954 1.00 0.00 C
ATOM 421 O ASN A 59 0.388 19.833 -11.802 1.00 0.00 O
ATOM 422 CB ASN A 59 -1.487 21.959 -12.298 1.00 0.00 C
ATOM 423 CG ASN A 59 -2.959 22.258 -12.462 1.00 0.00 C
ATOM 424 OD1 ASN A 59 -3.754 21.356 -12.408 1.00 0.00 O
ATOM 425 ND2 ASN A 59 -3.320 23.537 -12.614 1.00 0.00 N
ATOM 426 N GLY A 60 1.073 21.069 -10.028 1.00 0.00 N
ATOM 427 CA GLY A 60 2.423 20.498 -10.033 1.00 0.00 C
ATOM 428 C GLY A 60 3.445 21.516 -10.521 1.00 0.00 C
ATOM 429 O GLY A 60 3.247 22.721 -10.383 1.00 0.00 O
ATOM 430 N GLY A 61 4.552 21.044 -11.073 1.00 0.00 N
ATOM 431 CA GLY A 61 5.602 21.945 -11.542 1.00 0.00 C
ATOM 432 C GLY A 61 6.527 22.478 -10.455 1.00 0.00 C
ATOM 433 O GLY A 61 7.266 23.440 -10.695 1.00 0.00 O
ATOM 434 N ALA A 62 6.483 21.891 -9.262 1.00 0.00 N
ATOM 435 CA ALA A 62 7.364 22.405 -8.205 1.00 0.00 C
ATOM 436 C ALA A 62 8.865 22.234 -8.500 1.00 0.00 C
ATOM 437 O ALA A 62 9.303 21.234 -9.068 1.00 0.00 O
ATOM 438 CB ALA A 62 7.042 21.720 -6.880 1.00 0.00 C
ATOM 439 N THR A 63 9.597 23.238 -8.068 1.00 0.00 N
ATOM 440 CA THR A 63 11.068 23.225 -8.151 1.00 0.00 C
ATOM 441 C THR A 63 11.595 23.862 -6.873 1.00 0.00 C
ATOM 442 O THR A 63 10.885 24.563 -6.148 1.00 0.00 O
ATOM 443 CB THR A 63 11.657 24.049 -9.317 1.00 0.00 C
ATOM 444 OG1 THR A 63 11.375 25.417 -9.104 1.00 0.00 O
ATOM 445 CG2 THR A 63 11.092 23.621 -10.656 1.00 0.00 C
ATOM 446 N CYS A 64 12.856 23.607 -6.577 1.00 0.00 N
ATOM 447 CA CYS A 64 13.483 24.267 -5.454 1.00 0.00 C
ATOM 448 C CYS A 64 13.738 25.750 -5.785 1.00 0.00 C
ATOM 449 O CYS A 64 14.189 26.505 -4.923 1.00 0.00 O
ATOM 450 CB CYS A 64 14.794 23.566 -5.098 1.00 0.00 C
ATOM 451 SG CYS A 64 14.537 21.952 -4.271 1.00 0.00 S
ATOM 452 OXT CYS A 64 13.470 26.182 -6.936 1.00 0.00 O
ATOM 453 H ASP A 1 -2.101 13.764 0.296 1.00 0.00 H
ATOM 454 H ASP A 1 -2.286 12.759 1.612 1.00 0.00 H
ATOM 455 H ASP A 1 -3.795 14.616 1.698 1.00 0.00 H
ATOM 456 H ASP A 1 -3.105 15.377 3.993 1.00 0.00 H
ATOM 457 H ASP A 1 -1.520 14.633 3.698 1.00 0.00 H
ATOM 458 H ASP A 1 -2.839 13.902 5.845 1.00 0.00 H
ATOM 459 H THR A 2 -4.024 16.910 1.834 1.00 0.00 H
ATOM 460 H THR A 2 -1.850 18.572 0.801 1.00 0.00 H
ATOM 461 H THR A 2 -3.227 20.431 1.193 1.00 0.00 H
ATOM 462 H THR A 2 -5.066 18.470 2.208 1.00 0.00 H
ATOM 463 H THR A 2 -4.722 18.191 -0.129 1.00 0.00 H
ATOM 464 H THR A 2 -3.515 19.201 -0.888 1.00 0.00 H
ATOM 465 H THR A 2 -5.027 19.896 -0.355 1.00 0.00 H
ATOM 466 H CYS A 3 -1.351 20.545 2.428 1.00 0.00 H
ATOM 467 H CYS A 3 -0.420 19.302 4.850 1.00 0.00 H
ATOM 468 H CYS A 3 0.022 22.025 3.615 1.00 0.00 H
ATOM 469 H CYS A 3 0.780 21.502 5.122 1.00 0.00 H
ATOM 470 H GLY A 4 -3.134 21.163 4.105 1.00 0.00 H
ATOM 471 H GLY A 4 -3.452 21.516 7.009 1.00 0.00 H
ATOM 472 H GLY A 4 -4.763 21.423 5.800 1.00 0.00 H
ATOM 473 H SER A 5 -4.989 23.216 7.668 1.00 0.00 H
ATOM 474 H SER A 5 -5.369 25.566 6.215 1.00 0.00 H
ATOM 475 H SER A 5 -5.175 25.238 9.216 1.00 0.00 H
ATOM 476 H SER A 5 -6.618 24.931 8.275 1.00 0.00 H
ATOM 477 H SER A 5 -5.248 27.421 8.460 1.00 0.00 H
ATOM 478 H GLY A 6 -4.260 27.352 5.853 1.00 0.00 H
ATOM 479 H GLY A 6 -2.598 28.963 6.268 1.00 0.00 H
ATOM 480 H GLY A 6 -1.790 27.776 7.327 1.00 0.00 H
ATOM 481 H TYR A 7 -2.319 25.913 4.888 1.00 0.00 H
ATOM 482 H TYR A 7 0.249 26.590 3.569 1.00 0.00 H
ATOM 483 H TYR A 7 0.247 24.187 3.000 1.00 0.00 H
ATOM 484 H TYR A 7 -1.203 24.031 4.021 1.00 0.00 H
ATOM 485 H TYR A 7 2.381 24.824 4.139 1.00 0.00 H
ATOM 486 H TYR A 7 -1.046 23.846 6.328 1.00 0.00 H
ATOM 487 H TYR A 7 3.746 24.449 6.111 1.00 0.00 H
ATOM 488 H TYR A 7 0.306 23.477 8.294 1.00 0.00 H
ATOM 489 H TYR A 7 3.816 23.773 8.413 1.00 0.00 H
ATOM 490 H ASN A 8 0.408 25.875 1.325 1.00 0.00 H
ATOM 491 H ASN A 8 -1.878 27.026 -0.087 1.00 0.00 H
ATOM 492 H ASN A 8 0.526 28.062 -0.017 1.00 0.00 H
ATOM 493 H ASN A 8 0.916 26.757 -1.160 1.00 0.00 H
ATOM 494 H ASN A 8 0.222 28.888 -3.763 1.00 0.00 H
ATOM 495 H ASN A 8 1.356 27.888 -2.973 1.00 0.00 H
ATOM 496 H VAL A 9 -2.121 26.602 -2.383 1.00 0.00 H
ATOM 497 H VAL A 9 -2.902 23.927 -2.502 1.00 0.00 H
ATOM 498 H VAL A 9 -3.555 24.464 -4.920 1.00 0.00 H
ATOM 499 H VAL A 9 -4.469 26.390 -2.767 1.00 0.00 H
ATOM 500 H VAL A 9 -5.116 24.788 -3.030 1.00 0.00 H
ATOM 501 H VAL A 9 -5.342 26.031 -4.237 1.00 0.00 H
ATOM 502 H VAL A 9 -2.473 27.142 -4.215 1.00 0.00 H
ATOM 503 H VAL A 9 -3.380 26.739 -5.653 1.00 0.00 H
ATOM 504 H VAL A 9 -1.804 26.033 -5.388 1.00 0.00 H
ATOM 505 H ASP A 10 0.126 25.266 -3.266 1.00 0.00 H
ATOM 506 H ASP A 10 0.701 23.074 -5.130 1.00 0.00 H
ATOM 507 H ASP A 10 1.620 25.302 -5.662 1.00 0.00 H
ATOM 508 H ASP A 10 2.900 24.097 -5.412 1.00 0.00 H
ATOM 509 H ASP A 10 1.310 25.474 -2.711 1.00 0.00 H
ATOM 510 H GLN A 11 0.289 22.892 -2.002 1.00 0.00 H
ATOM 511 H GLN A 11 2.828 21.519 -1.492 1.00 0.00 H
ATOM 512 H GLN A 11 2.436 22.034 0.911 1.00 0.00 H
ATOM 513 H GLN A 11 0.986 22.913 0.439 1.00 0.00 H
ATOM 514 H GLN A 11 2.278 24.483 -0.801 1.00 0.00 H
ATOM 515 H GLN A 11 3.746 23.557 -0.483 1.00 0.00 H
ATOM 516 H GLN A 11 4.829 23.755 1.423 1.00 0.00 H
ATOM 517 H GLN A 11 4.380 24.850 2.651 1.00 0.00 H
ATOM 518 H ARG A 12 2.957 19.603 -0.532 1.00 0.00 H
ATOM 519 H ARG A 12 0.470 18.170 0.159 1.00 0.00 H
ATOM 520 H ARG A 12 2.600 17.056 -1.612 1.00 0.00 H
ATOM 521 H ARG A 12 1.199 16.193 -0.948 1.00 0.00 H
ATOM 522 H ARG A 12 0.926 18.577 -2.700 1.00 0.00 H
ATOM 523 H ARG A 12 1.003 16.926 -3.316 1.00 0.00 H
ATOM 524 H ARG A 12 -0.922 16.365 -1.858 1.00 0.00 H
ATOM 525 H ARG A 12 -1.049 18.086 -1.479 1.00 0.00 H
ATOM 526 H ARG A 12 -1.859 16.783 -3.912 1.00 0.00 H
ATOM 527 H ARG A 12 -1.854 20.758 -3.627 1.00 0.00 H
ATOM 528 H ARG A 12 -1.017 19.847 -2.454 1.00 0.00 H
ATOM 529 H ARG A 12 -2.950 17.999 -5.454 1.00 0.00 H
ATOM 530 H ARG A 13 0.863 16.582 1.808 1.00 0.00 H
ATOM 531 H ARG A 13 3.193 17.309 3.394 1.00 0.00 H
ATOM 532 H ARG A 13 0.941 15.414 4.029 1.00 0.00 H
ATOM 533 H ARG A 13 0.994 17.116 4.455 1.00 0.00 H
ATOM 534 H ARG A 13 3.120 16.627 5.703 1.00 0.00 H
ATOM 535 H ARG A 13 2.789 14.929 5.455 1.00 0.00 H
ATOM 536 H ARG A 13 1.893 15.553 7.644 1.00 0.00 H
ATOM 537 H ARG A 13 0.539 15.278 6.559 1.00 0.00 H
ATOM 538 H ARG A 13 -0.001 17.502 6.677 1.00 0.00 H
ATOM 539 H ARG A 13 3.145 17.059 8.147 1.00 0.00 H
ATOM 540 H ARG A 13 3.210 18.647 8.765 1.00 0.00 H
ATOM 541 H ARG A 13 0.123 19.612 7.508 1.00 0.00 H
ATOM 542 H THR A 14 5.088 16.393 3.272 1.00 0.00 H
ATOM 543 H THR A 14 5.661 14.185 1.695 1.00 0.00 H
ATOM 544 H THR A 14 7.221 14.987 4.127 1.00 0.00 H
ATOM 545 H THR A 14 7.263 16.073 1.468 1.00 0.00 H
ATOM 546 H THR A 14 8.092 13.763 1.540 1.00 0.00 H
ATOM 547 H THR A 14 7.974 12.941 3.077 1.00 0.00 H
ATOM 548 H THR A 14 9.138 14.225 2.861 1.00 0.00 H
ATOM 549 H ASN A 15 5.569 12.124 1.933 1.00 0.00 H
ATOM 550 H ASN A 15 5.361 10.042 2.683 1.00 0.00 H
ATOM 551 H ASN A 15 5.730 9.509 5.065 1.00 0.00 H
ATOM 552 H ASN A 15 5.693 11.230 5.427 1.00 0.00 H
ATOM 553 H ASN A 15 9.130 11.273 5.129 1.00 0.00 H
ATOM 554 H ASN A 15 7.767 11.513 6.126 1.00 0.00 H
ATOM 555 H SER A 16 3.045 12.285 3.050 1.00 0.00 H
ATOM 556 H SER A 16 1.118 10.491 4.297 1.00 0.00 H
ATOM 557 H SER A 16 -0.513 12.166 3.868 1.00 0.00 H
ATOM 558 H SER A 16 0.971 12.954 4.443 1.00 0.00 H
ATOM 559 H SER A 16 0.099 12.814 1.747 1.00 0.00 H
ATOM 560 H GLY A 17 -0.946 9.969 3.034 1.00 0.00 H
ATOM 561 H GLY A 17 -0.181 8.394 0.817 1.00 0.00 H
ATOM 562 H GLY A 17 -1.844 8.734 1.379 1.00 0.00 H
ATOM 563 H CYS A 18 -0.952 8.391 -1.345 1.00 0.00 H
ATOM 564 H CYS A 18 -2.111 10.832 -2.417 1.00 0.00 H
ATOM 565 H CYS A 18 -0.305 11.247 -4.019 1.00 0.00 H
ATOM 566 H CYS A 18 0.224 11.420 -2.324 1.00 0.00 H
ATOM 567 H LYS A 19 -3.186 10.598 -4.181 1.00 0.00 H
ATOM 568 H LYS A 19 -3.930 7.990 -4.990 1.00 0.00 H
ATOM 569 H LYS A 19 -5.261 9.196 -6.737 1.00 0.00 H
ATOM 570 H LYS A 19 -4.486 10.689 -6.170 1.00 0.00 H
ATOM 571 H LYS A 19 -5.478 10.427 -4.026 1.00 0.00 H
ATOM 572 H LYS A 19 -6.234 8.913 -4.570 1.00 0.00 H
ATOM 573 H LYS A 19 -7.894 9.964 -5.593 1.00 0.00 H
ATOM 574 H LYS A 19 -6.870 11.217 -6.216 1.00 0.00 H
ATOM 575 H LYS A 19 -8.393 12.152 -4.569 1.00 0.00 H
ATOM 576 H LYS A 19 -6.732 12.177 -3.945 1.00 0.00 H
ATOM 577 H LYS A 19 -8.801 10.222 -3.204 1.00 0.00 H
ATOM 578 H LYS A 19 -8.269 11.482 -2.253 1.00 0.00 H
ATOM 579 H ALA A 20 -3.652 6.915 -6.916 1.00 0.00 H
ATOM 580 H ALA A 20 -1.064 7.231 -7.983 1.00 0.00 H
ATOM 581 H ALA A 20 -3.402 5.682 -9.102 1.00 0.00 H
ATOM 582 H ALA A 20 -2.258 5.073 -7.930 1.00 0.00 H
ATOM 583 H ALA A 20 -1.730 5.448 -9.552 1.00 0.00 H
ATOM 584 H GLY A 21 -4.087 8.545 -9.113 1.00 0.00 H
ATOM 585 H GLY A 21 -3.371 9.188 -11.743 1.00 0.00 H
ATOM 586 H GLY A 21 -4.554 10.049 -10.727 1.00 0.00 H
ATOM 587 H ASN A 22 -2.134 10.561 -8.839 1.00 0.00 H
ATOM 588 H ASN A 22 -1.561 13.142 -9.755 1.00 0.00 H
ATOM 589 H ASN A 22 0.506 12.833 -8.183 1.00 0.00 H
ATOM 590 H ASN A 22 -0.286 11.309 -7.775 1.00 0.00 H
ATOM 591 H ASN A 22 -1.772 11.319 -6.190 1.00 0.00 H
ATOM 592 H ASN A 22 -2.514 12.723 -5.570 1.00 0.00 H
ATOM 593 H GLY A 23 -0.195 10.051 -10.642 1.00 0.00 H
ATOM 594 H GLY A 23 1.513 9.552 -12.124 1.00 0.00 H
ATOM 595 H GLY A 23 1.154 11.100 -12.856 1.00 0.00 H
ATOM 596 H ASP A 24 3.206 11.936 -13.203 1.00 0.00 H
ATOM 597 H ASP A 24 4.988 11.823 -10.906 1.00 0.00 H
ATOM 598 H ASP A 24 6.791 12.374 -12.475 1.00 0.00 H
ATOM 599 H ASP A 24 5.854 10.950 -12.993 1.00 0.00 H
ATOM 600 H ASP A 24 4.274 13.850 -13.652 1.00 0.00 H
ATOM 601 H ARG A 25 2.750 13.760 -11.160 1.00 0.00 H
ATOM 602 H ARG A 25 3.820 16.324 -11.547 1.00 0.00 H
ATOM 603 H ARG A 25 1.730 15.301 -9.639 1.00 0.00 H
ATOM 604 H ARG A 25 2.163 17.029 -9.767 1.00 0.00 H
ATOM 605 H ARG A 25 1.418 17.078 -12.044 1.00 0.00 H
ATOM 606 H ARG A 25 1.026 15.395 -12.007 1.00 0.00 H
ATOM 607 H ARG A 25 -0.473 15.839 -10.077 1.00 0.00 H
ATOM 608 H ARG A 25 -0.100 17.587 -10.338 1.00 0.00 H
ATOM 609 H ARG A 25 -1.640 17.681 -11.962 1.00 0.00 H
ATOM 610 H ARG A 25 -2.387 13.773 -12.250 1.00 0.00 H
ATOM 611 H ARG A 25 -0.994 14.269 -11.403 1.00 0.00 H
ATOM 612 H ARG A 25 -3.926 15.278 -12.927 1.00 0.00 H
ATOM 613 H HIS A 26 4.934 17.735 -10.289 1.00 0.00 H
ATOM 614 H HIS A 26 6.054 16.709 -7.744 1.00 0.00 H
ATOM 615 H HIS A 26 7.058 18.602 -9.839 1.00 0.00 H
ATOM 616 H HIS A 26 7.733 18.576 -8.205 1.00 0.00 H
ATOM 617 H HIS A 26 9.846 17.954 -9.911 1.00 0.00 H
ATOM 618 H HIS A 26 7.055 15.076 -8.998 1.00 0.00 H
ATOM 619 H HIS A 26 10.928 15.735 -10.330 1.00 0.00 H
ATOM 620 H PHE A 27 5.495 17.605 -5.981 1.00 0.00 H
ATOM 621 H PHE A 27 4.346 20.319 -5.949 1.00 0.00 H
ATOM 622 H PHE A 27 3.574 17.889 -4.353 1.00 0.00 H
ATOM 623 H PHE A 27 3.113 19.538 -3.899 1.00 0.00 H
ATOM 624 H PHE A 27 1.586 20.810 -5.310 1.00 0.00 H
ATOM 625 H PHE A 27 2.451 16.829 -6.183 1.00 0.00 H
ATOM 626 H PHE A 27 -0.356 20.712 -6.793 1.00 0.00 H
ATOM 627 H PHE A 27 0.535 16.711 -7.673 1.00 0.00 H
ATOM 628 H PHE A 27 -0.879 18.637 -7.981 1.00 0.00 H
ATOM 629 H CYS A 28 4.524 21.269 -3.620 1.00 0.00 H
ATOM 630 H CYS A 28 7.254 20.809 -2.692 1.00 0.00 H
ATOM 631 H CYS A 28 5.241 22.957 -2.092 1.00 0.00 H
ATOM 632 H CYS A 28 6.857 22.854 -1.365 1.00 0.00 H
ATOM 633 H GLY A 29 7.707 20.139 -0.540 1.00 0.00 H
ATOM 634 H GLY A 29 7.224 19.212 1.529 1.00 0.00 H
ATOM 635 H GLY A 29 5.600 18.925 0.967 1.00 0.00 H
ATOM 636 H CYS A 30 5.340 19.621 3.347 1.00 0.00 H
ATOM 637 H CYS A 30 4.089 22.076 3.202 1.00 0.00 H
ATOM 638 H CYS A 30 3.507 21.849 5.524 1.00 0.00 H
ATOM 639 H CYS A 30 4.826 20.671 5.739 1.00 0.00 H
ATOM 640 H ASP A 31 7.246 21.336 4.610 1.00 0.00 H
ATOM 641 H ASP A 31 7.384 24.134 5.323 1.00 0.00 H
ATOM 642 H ASP A 31 8.237 22.474 6.930 1.00 0.00 H
ATOM 643 H ASP A 31 9.475 23.650 6.432 1.00 0.00 H
ATOM 644 H ASP A 31 10.325 21.420 7.574 1.00 0.00 H
ATOM 645 H ARG A 32 7.639 22.876 2.557 1.00 0.00 H
ATOM 646 H ARG A 32 8.582 23.337 0.629 1.00 0.00 H
ATOM 647 H ARG A 32 9.196 25.967 1.978 1.00 0.00 H
ATOM 648 H ARG A 32 9.364 25.689 0.252 1.00 0.00 H
ATOM 649 H ARG A 32 6.921 24.997 0.252 1.00 0.00 H
ATOM 650 H ARG A 32 6.831 25.630 1.880 1.00 0.00 H
ATOM 651 H ARG A 32 7.575 27.848 1.054 1.00 0.00 H
ATOM 652 H ARG A 32 7.651 27.218 -0.571 1.00 0.00 H
ATOM 653 H ARG A 32 5.246 27.901 0.919 1.00 0.00 H
ATOM 654 H ARG A 32 5.036 26.148 -2.671 1.00 0.00 H
ATOM 655 H ARG A 32 3.137 26.966 -1.648 1.00 0.00 H
ATOM 656 H ARG A 32 3.232 27.637 -0.083 1.00 0.00 H
ATOM 657 H THR A 33 10.417 22.235 2.794 1.00 0.00 H
ATOM 658 H THR A 33 12.870 23.122 1.631 1.00 0.00 H
ATOM 659 H THR A 33 14.110 21.656 3.216 1.00 0.00 H
ATOM 660 H THR A 33 11.495 20.862 4.045 1.00 0.00 H
ATOM 661 H THR A 33 11.948 23.256 4.551 1.00 0.00 H
ATOM 662 H THR A 33 13.468 23.883 3.961 1.00 0.00 H
ATOM 663 H THR A 33 13.449 22.748 5.289 1.00 0.00 H
ATOM 664 H GLY A 34 10.658 20.991 0.611 1.00 0.00 H
ATOM 665 H GLY A 34 12.639 19.651 -1.011 1.00 0.00 H
ATOM 666 H GLY A 34 11.657 18.615 0.037 1.00 0.00 H
ATOM 667 H VAL A 35 11.882 18.652 -2.782 1.00 0.00 H
ATOM 668 H VAL A 35 9.213 19.354 -3.747 1.00 0.00 H
ATOM 669 H VAL A 35 11.539 18.065 -5.117 1.00 0.00 H
ATOM 670 H VAL A 35 8.906 19.092 -6.200 1.00 0.00 H
ATOM 671 H VAL A 35 9.368 17.410 -6.095 1.00 0.00 H
ATOM 672 H VAL A 35 10.229 18.487 -7.168 1.00 0.00 H
ATOM 673 H VAL A 35 10.417 20.874 -5.227 1.00 0.00 H
ATOM 674 H VAL A 35 11.736 20.277 -6.205 1.00 0.00 H
ATOM 675 H VAL A 35 11.928 20.421 -4.474 1.00 0.00 H
ATOM 676 H VAL A 36 7.611 17.698 -3.820 1.00 0.00 H
ATOM 677 H VAL A 36 8.584 14.958 -3.357 1.00 0.00 H
ATOM 678 H VAL A 36 6.377 14.501 -2.273 1.00 0.00 H
ATOM 679 H VAL A 36 8.005 16.756 -0.979 1.00 0.00 H
ATOM 680 H VAL A 36 8.411 15.060 -0.873 1.00 0.00 H
ATOM 681 H VAL A 36 6.964 15.662 -0.101 1.00 0.00 H
ATOM 682 H VAL A 36 6.095 17.529 -2.286 1.00 0.00 H
ATOM 683 H VAL A 36 5.027 16.428 -1.450 1.00 0.00 H
ATOM 684 H VAL A 36 5.091 16.426 -3.196 1.00 0.00 H
ATOM 685 H GLU A 37 7.375 13.218 -4.226 1.00 0.00 H
ATOM 686 H GLU A 37 5.627 13.805 -6.564 1.00 0.00 H