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1VDS.pdb
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1VDS.pdb
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HEADER HYDROLASE 24-MAR-04 1VDS
TITLE THE CRYSTAL STRUCTURE OF THE TETRAGONAL FORM OF HEN EGG
TITLE 2 WHITE LYSOZYME AT 1.6 ANGSTROMS RESOLUTION IN SPACE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LYSOZYME C;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D 4,
COMPND 5 GAL D IV;
COMPND 6 EC: 3.2.1.17
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
SOURCE 3 ORGANISM_COMMON: CHICKEN;
SOURCE 4 ORGANISM_TAXID: 9031;
SOURCE 5 TISSUE: EGG WHITE
KEYWDS LYSOZYME, HEN EGG WHITE, TETRAGONAL, MICROGRAVITY, HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,L.J.DELUCAS,
AUTHOR 2 M.HIROSE
REVDAT 2 24-FEB-09 1VDS 1 VERSN
REVDAT 1 13-APR-04 1VDS 0
JRNL AUTH S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,
JRNL AUTH 2 L.J.DELUCAS,M.HIROSE
JRNL TITL THE CRYSTAL STRUCTURE OF THE TETRAGONAL FORM OF
JRNL TITL 2 HEN EGG WHITE LYSOZYME AT 1.6 ANGSTROMS RESOLUTION
JRNL TITL 3 IN SPACE
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.AIBARA,A.SUZUKI,A.KIDERA,K.SHIBATA,T.YAMANE,
REMARK 1 AUTH 2 L.J.DELUCAS,M.HIROSE
REMARK 1 TITL MICROGRAVITY INFLUENCES THE NUCLEATION PROCESS OF
REMARK 1 TITL 2 PROTEIN CRYSTAL GROWTH
REMARK 1 REF PROCEEDINGS OF THE 1739 2002
REMARK 1 REF 2 TWENTY-THIRD INTERNATIONAL
REMARK 1 REF 3 SYMPOSIUM ON SPACE
REMARK 1 REF 4 TECHNOLOGY AND SCIENCE
REMARK 2
REMARK 2 RESOLUTION. 1.60 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.88
REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1433592.890
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.4
REMARK 3 NUMBER OF REFLECTIONS : 15118
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) : 0.185
REMARK 3 FREE R VALUE : 0.219
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700
REMARK 3 FREE R VALUE TEST SET COUNT : 714
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008
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) : 1.60
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2320
REMARK 3 BIN R VALUE (WORKING SET) : 0.2560
REMARK 3 BIN FREE R VALUE : 0.2620
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.90
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 120
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.024
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1265
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 117
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 20.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.60
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -0.17000
REMARK 3 B22 (A**2) : -0.17000
REMARK 3 B33 (A**2) : 0.34000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17
REMARK 3 ESD FROM SIGMAA (A) : 0.13
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) : 0.20
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.08
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.014
REMARK 3 BOND ANGLES (DEGREES) : 2.40
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.30
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.31
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) : 1.290 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.970 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 23.560; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 13.570; 2.500
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 : PARAM19.PRO
REMARK 3 PARAMETER FILE 2 : PARAM.WAT
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 PARAMETER FILE 4 : NULL
REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO
REMARK 3 TOPOLOGY FILE 2 : TOPH19.PEP
REMARK 3 TOPOLOGY FILE 3 : TOPH.WAT
REMARK 3 TOPOLOGY FILE 4 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-MAR-04.
REMARK 100 THE RCSB ID CODE IS RCSB006502.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 27-MAY-97
REMARK 200 TEMPERATURE (KELVIN) : 293
REMARK 200 PH : NULL
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 RU300
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : YALE MIRRORS
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15634
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600
REMARK 200 RESOLUTION RANGE LOW (A) : 17.600
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 94.8
REMARK 200 DATA REDUNDANCY : 6.600
REMARK 200 R MERGE (I) : 0.06100
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66
REMARK 200 COMPLETENESS FOR SHELL (%) : 98.7
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.14500
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 19.000
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 40.71
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2
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 -Y+1/2,X+1/2,Z+3/4
REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4
REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4
REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,-Z+1/2
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 18.96650
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.59600
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.59600
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.44975
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.59600
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.59600
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.48325
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.59600
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.59600
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.44975
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.59600
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.59600
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.48325
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 18.96650
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 TRP A 28 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES
REMARK 500 TRP A 28 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES
REMARK 500 TRP A 62 CD1 - CG - CD2 ANGL. DEV. = 7.1 DEGREES
REMARK 500 TRP A 62 CE2 - CD2 - CG ANGL. DEV. = -6.2 DEGREES
REMARK 500 TRP A 63 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES
REMARK 500 TRP A 63 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES
REMARK 500 TRP A 108 CD1 - CG - CD2 ANGL. DEV. = 5.4 DEGREES
REMARK 500 TRP A 108 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES
REMARK 500 TRP A 111 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES
REMARK 500 TRP A 111 CE2 - CD2 - CG ANGL. DEV. = -6.3 DEGREES
REMARK 500 TRP A 123 CD1 - CG - CD2 ANGL. DEV. = 6.7 DEGREES
REMARK 500 TRP A 123 CE2 - CD2 - CG ANGL. DEV. = -6.2 DEGREES
REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ARG A 68 18.85 -140.57
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VDP RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, THE MONOCLINIC FORM AT 1.7 A RESOLUTION
REMARK 900 IN SPACE
REMARK 900 RELATED ID: 1VDQ RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, THE ORTHORHOMBIC FORM AT 1.5 A RESOLUTION
REMARK 900 RELATED ID: 1VDT RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, THE TETRAGONAL FORM AT 1.7 A RESOLUTION
REMARK 900 UNDER BASIC CONDITIONS IN SPACE
REMARK 900 RELATED ID: 1VED RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, THE ORTHORHOMBIC FORM AT 1.9 A RESOLUTION
REMARK 900 IN SPACE
DBREF 1VDS A 1 129 UNP P00698 LYSC_CHICK 19 147
SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS
SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY
SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN
SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP
SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN
SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE
SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER
SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY
SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY
SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU
FORMUL 2 HOH *117(H2 O)
HELIX 1 1 GLY A 4 HIS A 15 1 12
HELIX 2 2 ASN A 19 TYR A 23 5 5
HELIX 3 3 SER A 24 ASN A 37 1 14
HELIX 4 4 PRO A 79 SER A 85 5 7
HELIX 5 5 ILE A 88 ASP A 101 1 14
HELIX 6 6 ASN A 103 ALA A 107 5 5
HELIX 7 7 TRP A 108 CYS A 115 1 8
HELIX 8 8 ASP A 119 ARG A 125 5 7
SHEET 1 A 3 THR A 43 ARG A 45 0
SHEET 2 A 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44
SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53
SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.00
SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03
SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04
SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03
CRYST1 79.192 79.192 37.933 90.00 90.00 90.00 P 43 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 0.012628 0.000000 0.000000 0.00000
SCALE2 0.000000 0.012628 0.000000 0.00000
SCALE3 0.000000 0.000000 0.026362 0.00000
ATOM 1 N LYS A 1 10.116 3.157 27.726 1.00 18.06 N
ATOM 2 CA LYS A 1 10.486 2.302 28.826 1.00 17.96 C
ATOM 3 C LYS A 1 12.005 2.379 29.007 1.00 17.22 C
ATOM 4 O LYS A 1 12.714 2.486 28.006 1.00 15.61 O
ATOM 5 CB LYS A 1 10.042 0.896 28.432 1.00 17.63 C
ATOM 6 CG LYS A 1 10.391 -0.138 29.427 1.00 19.11 C
ATOM 7 CD LYS A 1 10.042 -1.471 28.787 1.00 23.17 C
ATOM 8 CE LYS A 1 10.209 -2.656 29.770 1.00 25.56 C
ATOM 9 NZ LYS A 1 11.440 -2.485 30.503 1.00 29.77 N
ATOM 10 H1 LYS A 1 10.590 2.811 26.870 1.00 0.00 H
ATOM 11 H2 LYS A 1 10.333 4.122 27.889 1.00 0.00 H
ATOM 12 H3 LYS A 1 9.108 3.046 27.666 1.00 0.00 H
ATOM 13 HZ1 LYS A 1 11.404 -1.603 31.046 1.00 0.00 H
ATOM 14 HZ2 LYS A 1 12.243 -2.457 29.841 1.00 0.00 H
ATOM 15 HZ3 LYS A 1 11.561 -3.278 31.151 1.00 0.00 H
ATOM 16 N VAL A 2 12.480 2.506 30.230 1.00 15.83 N
ATOM 17 CA VAL A 2 13.873 2.440 30.553 1.00 17.04 C
ATOM 18 C VAL A 2 14.112 1.010 31.060 1.00 17.10 C
ATOM 19 O VAL A 2 13.565 0.570 32.079 1.00 18.88 O
ATOM 20 CB VAL A 2 14.259 3.504 31.641 1.00 16.63 C
ATOM 21 CG1 VAL A 2 15.749 3.439 31.956 1.00 17.34 C
ATOM 22 CG2 VAL A 2 14.017 4.909 31.108 1.00 17.92 C
ATOM 23 H VAL A 2 11.902 2.655 30.973 1.00 0.00 H
ATOM 24 N PHE A 3 14.818 0.210 30.283 1.00 16.18 N
ATOM 25 CA PHE A 3 15.166 -1.145 30.677 1.00 16.30 C
ATOM 26 C PHE A 3 16.221 -1.259 31.763 1.00 17.02 C
ATOM 27 O PHE A 3 17.140 -0.453 31.885 1.00 16.43 O
ATOM 28 CB PHE A 3 15.682 -1.920 29.474 1.00 15.55 C
ATOM 29 CG PHE A 3 14.585 -2.457 28.560 1.00 17.06 C
ATOM 30 CD1 PHE A 3 13.974 -1.630 27.607 1.00 16.32 C
ATOM 31 CD2 PHE A 3 14.195 -3.804 28.682 1.00 17.16 C
ATOM 32 CE1 PHE A 3 12.975 -2.161 26.785 1.00 17.98 C
ATOM 33 CE2 PHE A 3 13.192 -4.311 27.850 1.00 18.45 C
ATOM 34 CZ PHE A 3 12.580 -3.491 26.893 1.00 18.16 C
ATOM 35 H PHE A 3 15.121 0.536 29.406 1.00 0.00 H
ATOM 36 N GLY A 4 16.105 -2.292 32.588 1.00 17.90 N
ATOM 37 CA GLY A 4 17.221 -2.679 33.415 1.00 17.82 C
ATOM 38 C GLY A 4 18.219 -3.464 32.540 1.00 16.98 C
ATOM 39 O GLY A 4 17.857 -4.036 31.513 1.00 16.29 O
ATOM 40 H GLY A 4 15.279 -2.803 32.617 1.00 0.00 H
ATOM 41 N ARG A 5 19.464 -3.552 32.993 1.00 18.07 N
ATOM 42 CA ARG A 5 20.543 -4.228 32.289 1.00 18.21 C
ATOM 43 C ARG A 5 20.192 -5.700 31.971 1.00 19.20 C
ATOM 44 O ARG A 5 20.084 -6.115 30.792 1.00 17.57 O
ATOM 45 CB ARG A 5 21.795 -4.110 33.178 1.00 18.50 C
ATOM 46 CG ARG A 5 23.017 -4.783 32.591 1.00 19.27 C
ATOM 47 CD ARG A 5 24.292 -4.487 33.346 1.00 20.65 C
ATOM 48 NE ARG A 5 24.206 -5.030 34.688 1.00 25.14 N
ATOM 49 CZ ARG A 5 24.566 -6.292 35.010 1.00 26.46 C
ATOM 50 NH1 ARG A 5 25.055 -7.187 34.132 1.00 25.40 N
ATOM 51 NH2 ARG A 5 24.364 -6.684 36.261 1.00 27.47 N
ATOM 52 H ARG A 5 19.648 -3.138 33.858 1.00 0.00 H
ATOM 53 HE ARG A 5 23.870 -4.452 35.401 1.00 0.00 H
ATOM 54 HH11 ARG A 5 25.182 -6.924 33.173 1.00 0.00 H
ATOM 55 HH12 ARG A 5 25.306 -8.101 34.434 1.00 0.00 H
ATOM 56 HH21 ARG A 5 23.955 -6.053 36.916 1.00 0.00 H
ATOM 57 HH22 ARG A 5 24.614 -7.612 36.528 1.00 0.00 H
ATOM 58 N CYS A 6 19.899 -6.474 33.047 1.00 17.78 N
ATOM 59 CA CYS A 6 19.531 -7.865 32.854 1.00 17.84 C
ATOM 60 C CYS A 6 18.197 -8.078 32.156 1.00 16.82 C
ATOM 61 O CYS A 6 18.049 -8.988 31.338 1.00 17.87 O
ATOM 62 CB CYS A 6 19.531 -8.591 34.192 1.00 19.35 C
ATOM 63 SG CYS A 6 21.196 -8.709 34.883 1.00 21.41 S
ATOM 64 H CYS A 6 19.897 -6.097 33.936 1.00 0.00 H
ATOM 65 N GLU A 7 17.230 -7.205 32.370 1.00 16.11 N
ATOM 66 CA GLU A 7 15.994 -7.247 31.640 1.00 16.43 C
ATOM 67 C GLU A 7 16.207 -7.078 30.120 1.00 15.82 C
ATOM 68 O GLU A 7 15.607 -7.785 29.294 1.00 14.97 O
ATOM 69 CB GLU A 7 15.154 -6.150 32.192 1.00 17.91 C
ATOM 70 CG GLU A 7 13.816 -6.055 31.513 1.00 19.81 C
ATOM 71 CD GLU A 7 12.999 -4.882 32.009 1.00 20.45 C
ATOM 72 OE1 GLU A 7 13.541 -3.900 32.504 1.00 21.55 O
ATOM 73 OE2 GLU A 7 11.783 -4.968 31.878 1.00 25.70 O
ATOM 74 H GLU A 7 17.336 -6.538 33.080 1.00 0.00 H
ATOM 75 N LEU A 8 17.072 -6.131 29.724 1.00 15.04 N
ATOM 76 CA LEU A 8 17.335 -5.906 28.317 1.00 15.27 C
ATOM 77 C LEU A 8 18.100 -7.078 27.730 1.00 14.34 C
ATOM 78 O LEU A 8 17.772 -7.546 26.640 1.00 15.53 O
ATOM 79 CB LEU A 8 18.151 -4.632 28.117 1.00 14.50 C
ATOM 80 CG LEU A 8 18.452 -4.277 26.661 1.00 15.50 C
ATOM 81 CD1 LEU A 8 17.129 -4.081 25.881 1.00 15.08 C
ATOM 82 CD2 LEU A 8 19.326 -3.055 26.625 1.00 15.58 C
ATOM 83 H LEU A 8 17.551 -5.591 30.385 1.00 0.00 H
ATOM 84 N ALA A 9 19.118 -7.582 28.421 1.00 15.32 N
ATOM 85 CA ALA A 9 19.865 -8.752 27.952 1.00 15.96 C
ATOM 86 C ALA A 9 18.934 -9.936 27.656 1.00 14.88 C
ATOM 87 O ALA A 9 19.024 -10.566 26.596 1.00 15.47 O
ATOM 88 CB ALA A 9 20.893 -9.152 29.023 1.00 14.57 C
ATOM 89 H ALA A 9 19.409 -7.129 29.243 1.00 0.00 H
ATOM 90 N ALA A 10 17.947 -10.152 28.530 1.00 15.83 N
ATOM 91 CA ALA A 10 17.017 -11.241 28.351 1.00 16.10 C
ATOM 92 C ALA A 10 16.096 -11.007 27.171 1.00 16.83 C
ATOM 93 O ALA A 10 15.837 -11.903 26.366 1.00 17.01 O
ATOM 94 CB ALA A 10 16.228 -11.398 29.648 1.00 17.50 C
ATOM 95 H ALA A 10 17.854 -9.559 29.310 1.00 0.00 H
ATOM 96 N ALA A 11 15.617 -9.801 26.930 1.00 16.92 N
ATOM 97 CA ALA A 11 14.762 -9.560 25.772 1.00 16.99 C
ATOM 98 C ALA A 11 15.556 -9.656 24.443 1.00 16.82 C
ATOM 99 O ALA A 11 15.046 -10.137 23.420 1.00 17.04 O
ATOM 100 CB ALA A 11 14.137 -8.167 25.879 1.00 18.23 C
ATOM 101 H ALA A 11 15.816 -9.064 27.544 1.00 0.00 H
ATOM 102 N MET A 12 16.823 -9.210 24.411 1.00 16.68 N
ATOM 103 CA MET A 12 17.633 -9.261 23.202 1.00 15.78 C
ATOM 104 C MET A 12 17.953 -10.702 22.881 1.00 16.51 C
ATOM 105 O MET A 12 17.921 -11.104 21.724 1.00 17.69 O
ATOM 106 CB MET A 12 18.930 -8.493 23.384 1.00 14.49 C
ATOM 107 CG MET A 12 18.716 -6.976 23.344 1.00 16.37 C
ATOM 108 SD MET A 12 20.274 -6.119 23.653 1.00 17.48 S
ATOM 109 CE MET A 12 19.975 -4.678 22.680 1.00 16.65 C
ATOM 110 H MET A 12 17.216 -8.842 25.228 1.00 0.00 H
ATOM 111 N LYS A 13 18.199 -11.518 23.904 1.00 18.32 N
ATOM 112 CA LYS A 13 18.488 -12.948 23.742 1.00 19.85 C
ATOM 113 C LYS A 13 17.269 -13.595 23.147 1.00 18.99 C
ATOM 114 O LYS A 13 17.429 -14.269 22.139 1.00 18.96 O
ATOM 115 CB LYS A 13 18.797 -13.645 25.081 1.00 21.61 C
ATOM 116 CG LYS A 13 19.247 -15.087 24.882 1.00 26.00 C
ATOM 117 CD LYS A 13 19.843 -15.613 26.154 1.00 28.87 C
ATOM 118 CE LYS A 13 20.300 -17.041 25.976 1.00 33.22 C
ATOM 119 NZ LYS A 13 21.043 -17.443 27.163 1.00 36.66 N
ATOM 120 H LYS A 13 18.192 -11.135 24.813 1.00 0.00 H
ATOM 121 HZ1 LYS A 13 20.435 -17.357 28.004 1.00 0.00 H
ATOM 122 HZ2 LYS A 13 21.869 -16.817 27.275 1.00 0.00 H
ATOM 123 HZ3 LYS A 13 21.367 -18.425 27.065 1.00 0.00 H
ATOM 124 N ARG A 14 16.061 -13.314 23.659 1.00 20.25 N
ATOM 125 CA ARG A 14 14.871 -13.941 23.103 1.00 22.63 C
ATOM 126 C ARG A 14 14.646 -13.588 21.657 1.00 21.71 C
ATOM 127 O ARG A 14 14.190 -14.391 20.863 1.00 21.56 O
ATOM 128 CB ARG A 14 13.651 -13.538 23.929 1.00 24.71 C
ATOM 129 CG ARG A 14 12.408 -14.273 23.441 1.00 29.26 C
ATOM 130 CD ARG A 14 11.239 -14.086 24.390 1.00 32.15 C
ATOM 131 NE ARG A 14 10.692 -12.739 24.463 1.00 35.14 N
ATOM 132 CZ ARG A 14 9.714 -12.296 23.654 1.00 35.06 C
ATOM 133 NH1 ARG A 14 9.163 -13.057 22.699 1.00 33.98 N
ATOM 134 NH2 ARG A 14 9.250 -11.058 23.862 1.00 35.50 N
ATOM 135 H ARG A 14 15.989 -12.705 24.432 1.00 0.00 H
ATOM 136 HE ARG A 14 11.056 -12.124 25.132 1.00 0.00 H
ATOM 137 HH11 ARG A 14 9.484 -13.985 22.564 1.00 0.00 H
ATOM 138 HH12 ARG A 14 8.433 -12.686 22.129 1.00 0.00 H
ATOM 139 HH21 ARG A 14 9.631 -10.507 24.609 1.00 0.00 H
ATOM 140 HH22 ARG A 14 8.516 -10.695 23.295 1.00 0.00 H
ATOM 141 N HIS A 15 14.971 -12.347 21.297 1.00 22.41 N
ATOM 142 CA HIS A 15 14.855 -11.880 19.915 1.00 22.10 C
ATOM 143 C HIS A 15 16.018 -12.251 19.003 1.00 21.79 C
ATOM 144 O HIS A 15 16.128 -11.690 17.914 1.00 23.07 O
ATOM 145 CB HIS A 15 14.705 -10.401 19.906 1.00 22.13 C
ATOM 146 CG HIS A 15 13.331 -9.973 20.342 1.00 24.62 C
ATOM 147 ND1 HIS A 15 12.962 -9.627 21.570 1.00 26.49 N
ATOM 148 CD2 HIS A 15 12.232 -9.886 19.525 1.00 26.19 C
ATOM 149 CE1 HIS A 15 11.686 -9.332 21.543 1.00 25.80 C
ATOM 150 NE2 HIS A 15 11.262 -9.495 20.314 1.00 27.03 N
ATOM 151 H HIS A 15 15.290 -11.724 21.986 1.00 0.00 H
ATOM 152 HD1 HIS A 15 13.554 -9.600 22.360 1.00 0.00 H
ATOM 153 HE2 HIS A 15 10.327 -9.364 20.052 1.00 0.00 H
ATOM 154 N GLY A 16 16.921 -13.142 19.425 1.00 21.87 N
ATOM 155 CA GLY A 16 17.975 -13.672 18.560 1.00 21.82 C
ATOM 156 C GLY A 16 19.269 -12.867 18.459 1.00 23.15 C
ATOM 157 O GLY A 16 20.118 -13.182 17.603 1.00 21.79 O
ATOM 158 H GLY A 16 16.868 -13.474 20.344 1.00 0.00 H
ATOM 159 N LEU A 17 19.475 -11.824 19.277 1.00 21.83 N
ATOM 160 CA LEU A 17 20.738 -11.132 19.167 1.00 20.42 C
ATOM 161 C LEU A 17 21.969 -11.797 19.768 1.00 20.68 C
ATOM 162 O LEU A 17 23.065 -11.399 19.363 1.00 20.90 O
ATOM 163 CB LEU A 17 20.569 -9.738 19.747 1.00 17.91 C
ATOM 164 CG LEU A 17 19.772 -8.799 18.887 1.00 18.54 C
ATOM 165 CD1 LEU A 17 19.766 -7.445 19.590 1.00 21.60 C
ATOM 166 CD2 LEU A 17 20.394 -8.604 17.510 1.00 20.26 C
ATOM 167 H LEU A 17 18.791 -11.548 19.922 1.00 0.00 H
ATOM 168 N ASP A 18 21.991 -12.761 20.696 1.00 20.28 N
ATOM 169 CA ASP A 18 23.242 -13.309 21.206 1.00 21.63 C
ATOM 170 C ASP A 18 23.968 -14.070 20.108 1.00 21.97 C
ATOM 171 O ASP A 18 23.480 -15.049 19.549 1.00 21.66 O
ATOM 172 CB ASP A 18 23.006 -14.255 22.379 1.00 23.76 C
ATOM 173 CG ASP A 18 24.260 -14.754 23.148 1.00 26.73 C
ATOM 174 OD1 ASP A 18 25.388 -14.212 23.009 1.00 25.85 O
ATOM 175 OD2 ASP A 18 24.088 -15.708 23.932 1.00 29.23 O
ATOM 176 H ASP A 18 21.141 -13.144 21.002 1.00 0.00 H
ATOM 177 N ASN A 19 25.174 -13.588 19.830 1.00 21.54 N
ATOM 178 CA ASN A 19 26.040 -14.065 18.753 1.00 23.14 C
ATOM 179 C ASN A 19 25.480 -13.848 17.355 1.00 21.01 C
ATOM 180 O ASN A 19 25.989 -14.431 16.398 1.00 20.03 O
ATOM 181 CB ASN A 19 26.382 -15.564 18.912 1.00 28.95 C
ATOM 182 CG ASN A 19 27.055 -15.914 20.240 1.00 33.91 C
ATOM 183 OD1 ASN A 19 26.569 -16.742 21.021 1.00 38.69 O
ATOM 184 ND2 ASN A 19 28.163 -15.293 20.639 1.00 36.51 N
ATOM 185 H ASN A 19 25.456 -12.790 20.322 1.00 0.00 H
ATOM 186 HD21 ASN A 19 28.573 -14.629 20.061 1.00 0.00 H
ATOM 187 HD22 ASN A 19 28.538 -15.602 21.493 1.00 0.00 H
ATOM 188 N TYR A 20 24.523 -12.932 17.143 1.00 19.03 N
ATOM 189 CA TYR A 20 24.011 -12.668 15.806 1.00 17.98 C
ATOM 190 C TYR A 20 25.168 -12.007 15.057 1.00 19.32 C
ATOM 191 O TYR A 20 25.804 -11.079 15.577 1.00 19.07 O
ATOM 192 CB TYR A 20 22.819 -11.727 15.838 1.00 17.28 C
ATOM 193 CG TYR A 20 22.177 -11.540 14.479 1.00 17.30 C
ATOM 194 CD1 TYR A 20 21.241 -12.469 14.007 1.00 17.84 C
ATOM 195 CD2 TYR A 20 22.589 -10.479 13.669 1.00 16.93 C
ATOM 196 CE1 TYR A 20 20.745 -12.347 12.703 1.00 19.23 C
ATOM 197 CE2 TYR A 20 22.105 -10.355 12.372 1.00 18.73 C
ATOM 198 CZ TYR A 20 21.185 -11.291 11.887 1.00 21.13 C
ATOM 199 OH TYR A 20 20.741 -11.189 10.573 1.00 23.60 O
ATOM 200 H TYR A 20 24.180 -12.420 17.910 1.00 0.00 H
ATOM 201 HH TYR A 20 21.112 -10.391 10.176 1.00 0.00 H
ATOM 202 N ARG A 21 25.497 -12.588 13.887 1.00 18.94 N
ATOM 203 CA ARG A 21 26.656 -12.222 13.066 1.00 20.37 C
ATOM 204 C ARG A 21 27.965 -12.211 13.843 1.00 18.49 C
ATOM 205 O ARG A 21 28.879 -11.415 13.594 1.00 19.31 O
ATOM 206 CB ARG A 21 26.468 -10.840 12.411 1.00 21.86 C
ATOM 207 CG ARG A 21 25.710 -10.910 11.116 1.00 30.25 C
ATOM 208 CD ARG A 21 26.359 -9.819 10.309 1.00 36.30 C
ATOM 209 NE ARG A 21 26.724 -10.222 8.942 1.00 44.43 N
ATOM 210 CZ ARG A 21 27.868 -9.790 8.367 1.00 45.92 C
ATOM 211 NH1 ARG A 21 28.717 -8.988 9.043 1.00 49.07 N
ATOM 212 NH2 ARG A 21 28.136 -10.081 7.090 1.00 46.95 N
ATOM 213 H ARG A 21 24.906 -13.313 13.568 1.00 0.00 H
ATOM 214 HE ARG A 21 26.131 -10.812 8.435 1.00 0.00 H
ATOM 215 HH11 ARG A 21 28.486 -8.678 9.967 1.00 0.00 H
ATOM 216 HH12 ARG A 21 29.544 -8.642 8.602 1.00 0.00 H
ATOM 217 HH21 ARG A 21 27.500 -10.643 6.561 1.00 0.00 H
ATOM 218 HH22 ARG A 21 28.984 -9.757 6.670 1.00 0.00 H
ATOM 219 N GLY A 22 28.038 -13.106 14.825 1.00 17.22 N
ATOM 220 CA GLY A 22 29.239 -13.265 15.644 1.00 15.79 C
ATOM 221 C GLY A 22 29.393 -12.282 16.791 1.00 14.46 C
ATOM 222 O GLY A 22 30.415 -12.279 17.451 1.00 14.72 O
ATOM 223 H GLY A 22 27.264 -13.683 14.994 1.00 0.00 H
ATOM 224 N TYR A 23 28.386 -11.458 17.126 1.00 14.71 N
ATOM 225 CA TYR A 23 28.503 -10.468 18.198 1.00 13.92 C
ATOM 226 C TYR A 23 27.761 -10.981 19.409 1.00 14.43 C
ATOM 227 O TYR A 23 26.541 -11.170 19.409 1.00 14.90 O
ATOM 228 CB TYR A 23 27.905 -9.124 17.781 1.00 12.75 C
ATOM 229 CG TYR A 23 28.771 -8.421 16.765 1.00 10.93 C
ATOM 230 CD1 TYR A 23 29.799 -7.580 17.194 1.00 10.47 C
ATOM 231 CD2 TYR A 23 28.519 -8.629 15.405 1.00 10.57 C
ATOM 232 CE1 TYR A 23 30.596 -6.934 16.253 1.00 11.48 C
ATOM 233 CE2 TYR A 23 29.325 -7.994 14.445 1.00 12.85 C
ATOM 234 CZ TYR A 23 30.357 -7.135 14.880 1.00 12.68 C
ATOM 235 OH TYR A 23 31.111 -6.443 13.931 1.00 13.28 O
ATOM 236 H TYR A 23 27.537 -11.500 16.628 1.00 0.00 H
ATOM 237 HH TYR A 23 31.785 -5.907 14.364 1.00 0.00 H
ATOM 238 N SER A 24 28.506 -11.290 20.454 1.00 14.95 N
ATOM 239 CA SER A 24 27.891 -11.840 21.647 1.00 15.44 C
ATOM 240 C SER A 24 26.988 -10.789 22.310 1.00 14.60 C
ATOM 241 O SER A 24 27.161 -9.572 22.138 1.00 13.49 O
ATOM 242 CB SER A 24 29.022 -12.287 22.552 1.00 16.73 C
ATOM 243 OG SER A 24 29.689 -11.122 23.026 1.00 18.09 O
ATOM 244 H SER A 24 29.482 -11.159 20.438 1.00 0.00 H
ATOM 245 HG SER A 24 29.081 -10.587 23.544 1.00 0.00 H
ATOM 246 N LEU A 25 26.073 -11.296 23.139 1.00 14.34 N
ATOM 247 CA LEU A 25 25.084 -10.457 23.799 1.00 13.57 C
ATOM 248 C LEU A 25 25.641 -9.267 24.559 1.00 13.35 C
ATOM 249 O LEU A 25 25.032 -8.199 24.512 1.00 13.65 O
ATOM 250 CB LEU A 25 24.256 -11.296 24.774 1.00 15.96 C
ATOM 251 CG LEU A 25 22.854 -10.900 25.226 1.00 15.61 C
ATOM 252 CD1 LEU A 25 21.912 -10.605 24.077 1.00 16.87 C
ATOM 253 CD2 LEU A 25 22.294 -12.093 25.947 1.00 16.68 C
ATOM 254 H LEU A 25 26.073 -12.249 23.321 1.00 0.00 H
ATOM 255 N GLY A 26 26.782 -9.377 25.257 1.00 13.34 N
ATOM 256 CA GLY A 26 27.366 -8.256 25.977 1.00 12.10 C
ATOM 257 C GLY A 26 27.632 -7.100 25.023 1.00 12.42 C
ATOM 258 O GLY A 26 27.514 -5.935 25.411 1.00 14.57 O
ATOM 259 H GLY A 26 27.245 -10.241 25.293 1.00 0.00 H
ATOM 260 N ASN A 27 27.986 -7.342 23.751 1.00 11.98 N
ATOM 261 CA ASN A 27 28.215 -6.242 22.792 1.00 12.74 C
ATOM 262 C ASN A 27 26.959 -5.412 22.566 1.00 12.93 C
ATOM 263 O ASN A 27 26.992 -4.177 22.540 1.00 11.28 O
ATOM 264 CB ASN A 27 28.634 -6.733 21.429 1.00 12.68 C
ATOM 265 CG ASN A 27 30.052 -7.253 21.440 1.00 13.35 C
ATOM 266 OD1 ASN A 27 30.326 -8.458 21.474 1.00 16.86 O
ATOM 267 ND2 ASN A 27 31.009 -6.372 21.429 1.00 9.95 N
ATOM 268 H ASN A 27 28.055 -8.274 23.444 1.00 0.00 H
ATOM 269 HD21 ASN A 27 30.790 -5.444 21.432 1.00 0.00 H
ATOM 270 HD22 ASN A 27 31.917 -6.725 21.419 1.00 0.00 H
ATOM 271 N TRP A 28 25.822 -6.103 22.443 1.00 12.66 N
ATOM 272 CA TRP A 28 24.534 -5.460 22.157 1.00 11.42 C
ATOM 273 C TRP A 28 24.067 -4.671 23.365 1.00 11.67 C
ATOM 274 O TRP A 28 23.570 -3.557 23.208 1.00 10.87 O
ATOM 275 CB TRP A 28 23.496 -6.542 21.756 1.00 10.98 C
ATOM 276 CG TRP A 28 23.844 -7.180 20.415 1.00 11.29 C
ATOM 277 CD1 TRP A 28 24.383 -8.446 20.339 1.00 12.98 C
ATOM 278 CD2 TRP A 28 23.654 -6.604 19.176 1.00 13.32 C
ATOM 279 NE1 TRP A 28 24.536 -8.679 19.048 1.00 13.23 N
ATOM 280 CE2 TRP A 28 24.115 -7.622 18.317 1.00 13.93 C
ATOM 281 CE3 TRP A 28 23.158 -5.395 18.635 1.00 12.67 C
ATOM 282 CZ2 TRP A 28 24.081 -7.440 16.925 1.00 15.10 C
ATOM 283 CZ3 TRP A 28 23.133 -5.226 17.247 1.00 13.89 C
ATOM 284 CH2 TRP A 28 23.590 -6.242 16.405 1.00 14.44 C
ATOM 285 H TRP A 28 25.855 -7.076 22.542 1.00 0.00 H
ATOM 286 HE1 TRP A 28 24.873 -9.528 18.670 1.00 0.00 H
ATOM 287 N VAL A 29 24.260 -5.187 24.591 1.00 11.36 N
ATOM 288 CA VAL A 29 23.838 -4.503 25.814 1.00 11.36 C
ATOM 289 C VAL A 29 24.718 -3.279 26.049 1.00 10.95 C
ATOM 290 O VAL A 29 24.205 -2.210 26.397 1.00 11.41 O
ATOM 291 CB VAL A 29 23.898 -5.502 27.027 1.00 12.28 C
ATOM 292 CG1 VAL A 29 23.544 -4.821 28.357 1.00 12.64 C
ATOM 293 CG2 VAL A 29 22.873 -6.628 26.751 1.00 11.37 C
ATOM 294 H VAL A 29 24.695 -6.071 24.670 1.00 0.00 H
ATOM 295 N CYS A 30 26.027 -3.418 25.821 1.00 10.27 N
ATOM 296 CA CYS A 30 26.967 -2.305 25.922 1.00 11.39 C
ATOM 297 C CYS A 30 26.586 -1.177 24.932 1.00 12.13 C
ATOM 298 O CYS A 30 26.526 0.001 25.307 1.00 11.97 O
ATOM 299 CB CYS A 30 28.390 -2.819 25.617 1.00 10.44 C
ATOM 300 SG CYS A 30 29.634 -1.556 25.896 1.00 12.80 S
ATOM 301 H CYS A 30 26.374 -4.301 25.570 1.00 0.00 H
ATOM 302 N ALA A 31 26.255 -1.536 23.674 1.00 11.13 N
ATOM 303 CA ALA A 31 25.874 -0.574 22.652 1.00 12.51 C
ATOM 304 C ALA A 31 24.606 0.140 23.052 1.00 11.83 C
ATOM 305 O ALA A 31 24.619 1.373 22.998 1.00 12.68 O
ATOM 306 CB ALA A 31 25.607 -1.257 21.336 1.00 13.81 C
ATOM 307 H ALA A 31 26.289 -2.485 23.424 1.00 0.00 H
ATOM 308 N ALA A 32 23.587 -0.577 23.550 1.00 10.90 N
ATOM 309 CA ALA A 32 22.352 0.079 24.007 1.00 11.87 C
ATOM 310 C ALA A 32 22.568 1.022 25.197 1.00 12.51 C
ATOM 311 O ALA A 32 21.966 2.098 25.304 1.00 11.98 O
ATOM 312 CB ALA A 32 21.329 -0.939 24.444 1.00 12.55 C
ATOM 313 H ALA A 32 23.664 -1.551 23.606 1.00 0.00 H
ATOM 314 N LYS A 33 23.497 0.643 26.102 1.00 12.88 N
ATOM 315 CA LYS A 33 23.862 1.425 27.291 1.00 13.39 C
ATOM 316 C LYS A 33 24.366 2.773 26.881 1.00 12.27 C
ATOM 317 O LYS A 33 23.854 3.811 27.276 1.00 14.83 O
ATOM 318 CB LYS A 33 24.960 0.700 28.086 1.00 13.86 C
ATOM 319 CG LYS A 33 25.665 1.566 29.120 1.00 17.14 C
ATOM 320 CD LYS A 33 24.686 1.838 30.221 1.00 20.16 C
ATOM 321 CE LYS A 33 25.325 2.714 31.241 1.00 23.08 C
ATOM 322 NZ LYS A 33 24.234 3.069 32.114 1.00 26.68 N
ATOM 323 H LYS A 33 23.956 -0.214 25.950 1.00 0.00 H
ATOM 324 HZ1 LYS A 33 23.818 2.213 32.530 1.00 0.00 H
ATOM 325 HZ2 LYS A 33 23.521 3.580 31.558 1.00 0.00 H
ATOM 326 HZ3 LYS A 33 24.592 3.690 32.871 1.00 0.00 H
ATOM 327 N PHE A 34 25.331 2.785 25.990 1.00 12.42 N
ATOM 328 CA PHE A 34 25.955 4.039 25.656 1.00 12.90 C
ATOM 329 C PHE A 34 25.230 4.789 24.563 1.00 13.44 C
ATOM 330 O PHE A 34 25.418 5.998 24.424 1.00 14.45 O
ATOM 331 CB PHE A 34 27.405 3.742 25.286 1.00 13.79 C
ATOM 332 CG PHE A 34 28.183 3.318 26.537 1.00 12.92 C
ATOM 333 CD1 PHE A 34 28.218 4.162 27.657 1.00 13.38 C
ATOM 334 CD2 PHE A 34 28.895 2.114 26.525 1.00 15.71 C
ATOM 335 CE1 PHE A 34 28.948 3.774 28.770 1.00 15.37 C
ATOM 336 CE2 PHE A 34 29.624 1.733 27.638 1.00 16.82 C
ATOM 337 CZ PHE A 34 29.657 2.574 28.749 1.00 17.00 C
ATOM 338 H PHE A 34 25.643 1.944 25.570 1.00 0.00 H
ATOM 339 N GLU A 35 24.389 4.126 23.790 1.00 11.32 N
ATOM 340 CA GLU A 35 23.617 4.825 22.786 1.00 11.53 C
ATOM 341 C GLU A 35 22.400 5.503 23.384 1.00 13.38 C
ATOM 342 O GLU A 35 22.079 6.623 23.003 1.00 13.83 O
ATOM 343 CB GLU A 35 23.114 3.886 21.687 1.00 12.07 C
ATOM 344 CG GLU A 35 24.174 3.350 20.706 1.00 11.44 C
ATOM 345 CD GLU A 35 24.819 4.443 19.835 1.00 14.86 C
ATOM 346 OE1 GLU A 35 24.289 5.566 19.763 1.00 15.23 O
ATOM 347 OE2 GLU A 35 25.857 4.175 19.215 1.00 17.01 O
ATOM 348 H GLU A 35 24.331 3.156 23.879 1.00 0.00 H
ATOM 349 N SER A 36 21.707 4.892 24.327 1.00 11.80 N
ATOM 350 CA SER A 36 20.421 5.449 24.764 1.00 11.68 C
ATOM 351 C SER A 36 20.207 5.438 26.267 1.00 14.05 C
ATOM 352 O SER A 36 19.126 5.817 26.751 1.00 12.92 O
ATOM 353 CB SER A 36 19.322 4.640 24.149 1.00 12.34 C
ATOM 354 OG SER A 36 19.309 3.316 24.696 1.00 12.25 O
ATOM 355 H SER A 36 22.043 4.066 24.720 1.00 0.00 H
ATOM 356 HG SER A 36 18.606 2.818 24.289 1.00 0.00 H
ATOM 357 N ASN A 37 21.200 4.883 26.998 1.00 12.69 N
ATOM 358 CA ASN A 37 21.118 4.643 28.424 1.00 14.26 C
ATOM 359 C ASN A 37 19.888 3.746 28.711 1.00 13.78 C
ATOM 360 O ASN A 37 19.165 3.876 29.701 1.00 13.88 O
ATOM 361 CB ASN A 37 21.067 6.022 29.128 1.00 17.21 C
ATOM 362 CG ASN A 37 21.371 5.922 30.607 1.00 21.67 C
ATOM 363 OD1 ASN A 37 22.226 5.150 31.047 1.00 25.35 O
ATOM 364 ND2 ASN A 37 20.659 6.652 31.449 1.00 26.00 N
ATOM 365 H ASN A 37 22.009 4.596 26.536 1.00 0.00 H
ATOM 366 HD21 ASN A 37 19.933 7.207 31.094 1.00 0.00 H
ATOM 367 HD22 ASN A 37 20.854 6.563 32.401 1.00 0.00 H
ATOM 368 N PHE A 38 19.674 2.767 27.800 1.00 13.17 N
ATOM 369 CA PHE A 38 18.585 1.772 27.870 1.00 13.56 C
ATOM 370 C PHE A 38 17.155 2.346 27.810 1.00 12.92 C
ATOM 371 O PHE A 38 16.169 1.709 28.200 1.00 12.08 O
ATOM 372 CB PHE A 38 18.675 0.920 29.169 1.00 14.19 C
ATOM 373 CG PHE A 38 19.985 0.198 29.396 1.00 14.11 C
ATOM 374 CD1 PHE A 38 20.633 -0.437 28.335 1.00 14.69 C
ATOM 375 CD2 PHE A 38 20.495 0.142 30.694 1.00 16.33 C
ATOM 376 CE1 PHE A 38 21.817 -1.159 28.580 1.00 18.12 C
ATOM 377 CE2 PHE A 38 21.674 -0.577 30.934 1.00 17.92 C
ATOM 378 CZ PHE A 38 22.335 -1.223 29.878 1.00 17.93 C
ATOM 379 H PHE A 38 20.277 2.705 27.033 1.00 0.00 H
ATOM 380 N ASN A 39 17.043 3.559 27.296 1.00 11.11 N
ATOM 381 CA ASN A 39 15.750 4.223 27.195 1.00 11.77 C
ATOM 382 C ASN A 39 15.174 4.043 25.787 1.00 11.54 C
ATOM 383 O ASN A 39 15.729 4.591 24.809 1.00 12.16 O
ATOM 384 CB ASN A 39 15.971 5.691 27.497 1.00 12.07 C
ATOM 385 CG ASN A 39 14.690 6.511 27.542 1.00 13.29 C
ATOM 386 OD1 ASN A 39 14.700 7.716 27.813 1.00 19.21 O
ATOM 387 ND2 ASN A 39 13.502 5.963 27.324 1.00 11.22 N
ATOM 388 H ASN A 39 17.843 4.050 27.011 1.00 0.00 H
ATOM 389 HD21 ASN A 39 13.447 5.008 27.145 1.00 0.00 H
ATOM 390 HD22 ASN A 39 12.761 6.608 27.365 1.00 0.00 H
ATOM 391 N THR A 40 14.018 3.376 25.606 1.00 11.80 N
ATOM 392 CA THR A 40 13.406 3.186 24.283 1.00 12.88 C
ATOM 393 C THR A 40 12.964 4.471 23.580 1.00 12.46 C
ATOM 394 O THR A 40 12.858 4.495 22.365 1.00 13.60 O
ATOM 395 CB THR A 40 12.164 2.262 24.337 1.00 13.31 C
ATOM 396 OG1 THR A 40 11.176 2.854 25.187 1.00 14.26 O
ATOM 397 CG2 THR A 40 12.582 0.868 24.838 1.00 14.49 C
ATOM 398 H THR A 40 13.553 2.988 26.370 1.00 0.00 H
ATOM 399 HG1 THR A 40 10.396 2.290 25.144 1.00 0.00 H
ATOM 400 N GLN A 41 12.731 5.528 24.363 1.00 12.14 N
ATOM 401 CA GLN A 41 12.231 6.803 23.872 1.00 12.02 C
ATOM 402 C GLN A 41 13.318 7.807 23.469 1.00 13.32 C
ATOM 403 O GLN A 41 13.004 8.933 23.029 1.00 14.37 O
ATOM 404 CB GLN A 41 11.326 7.436 24.945 1.00 13.30 C
ATOM 405 CG GLN A 41 10.060 6.626 25.131 1.00 14.18 C
ATOM 406 CD GLN A 41 8.953 7.411 25.821 1.00 15.91 C
ATOM 407 OE1 GLN A 41 8.258 8.227 25.217 1.00 17.08 O
ATOM 408 NE2 GLN A 41 8.747 7.244 27.110 1.00 15.55 N
ATOM 409 H GLN A 41 12.898 5.449 25.313 1.00 0.00 H
ATOM 410 HE21 GLN A 41 9.316 6.632 27.612 1.00 0.00 H
ATOM 411 HE22 GLN A 41 8.051 7.808 27.503 1.00 0.00 H
ATOM 412 N ALA A 42 14.607 7.446 23.593 1.00 12.35 N
ATOM 413 CA ALA A 42 15.693 8.390 23.263 1.00 13.58 C
ATOM 414 C ALA A 42 15.726 8.789 21.784 1.00 11.83 C
ATOM 415 O ALA A 42 15.582 7.975 20.864 1.00 11.07 O
ATOM 416 CB ALA A 42 17.064 7.792 23.605 1.00 13.16 C
ATOM 417 H ALA A 42 14.829 6.538 23.874 1.00 0.00 H
ATOM 418 N THR A 43 15.836 10.081 21.552 1.00 12.58 N
ATOM 419 CA THR A 43 15.999 10.598 20.199 1.00 13.83 C
ATOM 420 C THR A 43 17.144 11.597 20.180 1.00 14.99 C
ATOM 421 O THR A 43 17.386 12.266 21.198 1.00 15.65 O
ATOM 422 CB THR A 43 14.746 11.332 19.691 1.00 13.62 C
ATOM 423 OG1 THR A 43 14.474 12.429 20.579 1.00 13.95 O
ATOM 424 CG2 THR A 43 13.576 10.376 19.542 1.00 13.26 C
ATOM 425 H THR A 43 15.807 10.720 22.290 1.00 0.00 H
ATOM 426 HG1 THR A 43 14.347 12.079 21.471 1.00 0.00 H
ATOM 427 N ASN A 44 17.924 11.702 19.103 1.00 15.18 N
ATOM 428 CA ASN A 44 18.912 12.779 19.023 1.00 17.82 C
ATOM 429 C ASN A 44 19.013 13.247 17.605 1.00 16.23 C
ATOM 430 O ASN A 44 19.087 12.436 16.693 1.00 15.28 O
ATOM 431 CB ASN A 44 20.310 12.361 19.401 1.00 23.12 C
ATOM 432 CG ASN A 44 21.038 13.502 20.149 1.00 31.25 C
ATOM 433 OD1 ASN A 44 20.969 13.653 21.384 1.00 35.24 O
ATOM 434 ND2 ASN A 44 21.724 14.415 19.448 1.00 34.68 N
ATOM 435 H ASN A 44 17.829 11.064 18.363 1.00 0.00 H
ATOM 436 HD21 ASN A 44 21.789 14.324 18.477 1.00 0.00 H
ATOM 437 HD22 ASN A 44 22.167 15.117 19.959 1.00 0.00 H
ATOM 438 N ARG A 45 19.053 14.548 17.403 1.00 17.27 N
ATOM 439 CA ARG A 45 19.097 15.164 16.072 1.00 19.49 C
ATOM 440 C ARG A 45 20.538 15.267 15.636 1.00 20.33 C
ATOM 441 O ARG A 45 21.400 15.599 16.450 1.00 21.68 O
ATOM 442 CB ARG A 45 18.510 16.577 16.094 1.00 20.55 C
ATOM 443 CG ARG A 45 18.296 17.194 14.736 1.00 24.71 C
ATOM 444 CD ARG A 45 16.944 16.710 14.307 1.00 28.39 C
ATOM 445 NE ARG A 45 16.690 16.907 12.901 1.00 34.13 N
ATOM 446 CZ ARG A 45 15.968 17.928 12.432 1.00 35.91 C
ATOM 447 NH1 ARG A 45 15.456 18.850 13.273 1.00 37.80 N
ATOM 448 NH2 ARG A 45 15.682 17.970 11.115 1.00 34.17 N
ATOM 449 H ARG A 45 19.001 15.122 18.183 1.00 0.00 H
ATOM 450 HE ARG A 45 17.056 16.266 12.258 1.00 0.00 H
ATOM 451 HH11 ARG A 45 15.614 18.788 14.258 1.00 0.00 H
ATOM 452 HH12 ARG A 45 14.914 19.614 12.912 1.00 0.00 H
ATOM 453 HH21 ARG A 45 16.000 17.244 10.510 1.00 0.00 H
ATOM 454 HH22 ARG A 45 15.133 18.725 10.751 1.00 0.00 H
ATOM 455 N ASN A 46 20.848 14.963 14.397 1.00 19.38 N
ATOM 456 CA ASN A 46 22.203 15.079 13.882 1.00 20.97 C
ATOM 457 C ASN A 46 22.344 16.376 13.084 1.00 20.83 C
ATOM 458 O ASN A 46 21.363 16.953 12.596 1.00 20.72 O
ATOM 459 CB ASN A 46 22.508 13.863 12.985 1.00 19.84 C
ATOM 460 CG ASN A 46 22.427 12.553 13.741 1.00 18.97 C
ATOM 461 OD1 ASN A 46 21.731 11.601 13.414 1.00 21.73 O
ATOM 462 ND2 ASN A 46 23.143 12.460 14.818 1.00 21.06 N
ATOM 463 H ASN A 46 20.135 14.652 13.801 1.00 0.00 H
ATOM 464 HD21 ASN A 46 23.710 13.211 15.107 1.00 0.00 H
ATOM 465 HD22 ASN A 46 23.130 11.617 15.305 1.00 0.00 H
ATOM 466 N THR A 47 23.577 16.843 12.862 1.00 23.28 N
ATOM 467 CA THR A 47 23.819 18.073 12.076 1.00 25.81 C
ATOM 468 C THR A 47 23.321 18.011 10.633 1.00 25.00 C
ATOM 469 O THR A 47 22.894 19.032 10.111 1.00 26.83 O
ATOM 470 CB THR A 47 25.341 18.413 12.091 1.00 28.34 C
ATOM 471 OG1 THR A 47 26.090 17.227 11.742 1.00 31.78 O
ATOM 472 CG2 THR A 47 25.747 18.911 13.476 1.00 27.85 C
ATOM 473 H THR A 47 24.345 16.402 13.270 1.00 0.00 H
ATOM 474 HG1 THR A 47 25.903 16.992 10.822 1.00 0.00 H
ATOM 475 N ASP A 48 23.296 16.841 9.984 1.00 23.74 N
ATOM 476 CA ASP A 48 22.775 16.748 8.633 1.00 23.45 C
ATOM 477 C ASP A 48 21.238 16.782 8.621 1.00 22.81 C
ATOM 478 O ASP A 48 20.639 16.579 7.563 1.00 25.62 O
ATOM 479 CB ASP A 48 23.294 15.451 7.964 1.00 23.85 C
ATOM 480 CG ASP A 48 22.869 14.119 8.601 1.00 26.10 C
ATOM 481 OD1 ASP A 48 22.217 14.110 9.648 1.00 25.34 O
ATOM 482 OD2 ASP A 48 23.180 13.063 8.045 1.00 26.89 O
ATOM 483 H ASP A 48 23.627 16.030 10.401 1.00 0.00 H
ATOM 484 N GLY A 49 20.528 16.979 9.749 1.00 22.21 N
ATOM 485 CA GLY A 49 19.061 17.011 9.772 1.00 19.46 C
ATOM 486 C GLY A 49 18.406 15.634 9.998 1.00 19.42 C
ATOM 487 O GLY A 49 17.191 15.570 10.223 1.00 19.39 O
ATOM 488 H GLY A 49 21.002 17.146 10.585 1.00 0.00 H
ATOM 489 N SER A 50 19.141 14.503 9.947 1.00 16.46 N
ATOM 490 CA SER A 50 18.526 13.222 10.266 1.00 15.46 C
ATOM 491 C SER A 50 18.398 13.105 11.816 1.00 13.78 C
ATOM 492 O SER A 50 18.981 13.916 12.564 1.00 14.63 O
ATOM 493 CB SER A 50 19.399 12.116 9.722 1.00 15.50 C
ATOM 494 OG SER A 50 20.645 12.037 10.419 1.00 15.53 O
ATOM 495 H SER A 50 20.081 14.529 9.698 1.00 0.00 H
ATOM 496 HG SER A 50 20.468 11.850 11.348 1.00 0.00 H
ATOM 497 N THR A 51 17.715 12.087 12.336 1.00 12.11 N
ATOM 498 CA THR A 51 17.559 11.919 13.780 1.00 10.63 C
ATOM 499 C THR A 51 17.808 10.439 14.050 1.00 11.22 C
ATOM 500 O THR A 51 17.562 9.589 13.164 1.00 11.01 O
ATOM 501 CB THR A 51 16.134 12.317 14.200 1.00 10.95 C
ATOM 502 OG1 THR A 51 15.978 13.688 13.817 1.00 12.11 O
ATOM 503 CG2 THR A 51 15.875 12.231 15.703 1.00 11.31 C
ATOM 504 H THR A 51 17.324 11.421 11.739 1.00 0.00 H
ATOM 505 HG1 THR A 51 15.086 13.980 14.058 1.00 0.00 H
ATOM 506 N ASP A 52 18.382 10.149 15.212 1.00 10.33 N
ATOM 507 CA ASP A 52 18.576 8.784 15.714 1.00 11.63 C
ATOM 508 C ASP A 52 17.479 8.436 16.716 1.00 11.43 C
ATOM 509 O ASP A 52 17.079 9.248 17.562 1.00 12.37 O
ATOM 510 CB ASP A 52 19.916 8.637 16.414 1.00 14.09 C
ATOM 511 CG ASP A 52 21.102 9.006 15.528 1.00 18.44 C
ATOM 512 OD1 ASP A 52 21.070 8.717 14.339 1.00 17.69 O
ATOM 513 OD2 ASP A 52 22.037 9.616 16.038 1.00 22.97 O
ATOM 514 H ASP A 52 18.704 10.879 15.772 1.00 0.00 H
ATOM 515 N TYR A 53 16.994 7.211 16.645 1.00 11.18 N
ATOM 516 CA TYR A 53 15.799 6.785 17.378 1.00 12.14 C
ATOM 517 C TYR A 53 15.952 5.479 18.141 1.00 11.33 C
ATOM 518 O TYR A 53 16.403 4.466 17.597 1.00 11.36 O
ATOM 519 CB TYR A 53 14.615 6.547 16.438 1.00 12.24 C
ATOM 520 CG TYR A 53 14.133 7.789 15.728 1.00 11.72 C
ATOM 521 CD1 TYR A 53 14.781 8.222 14.555 1.00 11.69 C
ATOM 522 CD2 TYR A 53 13.031 8.501 16.250 1.00 12.58 C
ATOM 523 CE1 TYR A 53 14.344 9.389 13.914 1.00 12.13 C
ATOM 524 CE2 TYR A 53 12.595 9.673 15.609 1.00 11.18 C
ATOM 525 CZ TYR A 53 13.249 10.099 14.433 1.00 12.78 C
ATOM 526 OH TYR A 53 12.835 11.232 13.768 1.00 13.53 O
ATOM 527 H TYR A 53 17.441 6.546 16.077 1.00 0.00 H
ATOM 528 HH TYR A 53 13.438 11.343 13.043 1.00 0.00 H
ATOM 529 N GLY A 54 15.528 5.554 19.391 1.00 11.09 N
ATOM 530 CA GLY A 54 15.313 4.366 20.196 1.00 12.39 C
ATOM 531 C GLY A 54 16.548 3.841 20.907 1.00 12.38 C
ATOM 532 O GLY A 54 17.600 4.477 20.912 1.00 12.04 O
ATOM 533 H GLY A 54 15.342 6.431 19.783 1.00 0.00 H
ATOM 534 N ILE A 55 16.400 2.659 21.482 1.00 12.03 N
ATOM 535 CA ILE A 55 17.394 2.012 22.282 1.00 14.08 C
ATOM 536 C ILE A 55 18.731 1.831 21.570 1.00 13.44 C
ATOM 537 O ILE A 55 19.773 1.881 22.223 1.00 14.03 O
ATOM 538 CB ILE A 55 16.742 0.685 22.776 1.00 16.07 C
ATOM 539 CG1 ILE A 55 17.565 0.308 23.977 1.00 19.08 C
ATOM 540 CG2 ILE A 55 16.615 -0.418 21.702 1.00 16.12 C
ATOM 541 CD1 ILE A 55 16.748 -0.127 25.191 1.00 22.18 C
ATOM 542 H ILE A 55 15.560 2.200 21.329 1.00 0.00 H
ATOM 543 N LEU A 56 18.713 1.619 20.252 1.00 11.87 N
ATOM 544 CA LEU A 56 19.958 1.504 19.543 1.00 13.07 C
ATOM 545 C LEU A 56 20.184 2.668 18.584 1.00 13.45 C
ATOM 546 O LEU A 56 21.067 2.595 17.721 1.00 12.48 O
ATOM 547 CB LEU A 56 19.981 0.193 18.808 1.00 15.00 C
ATOM 548 CG LEU A 56 20.241 -1.023 19.702 1.00 16.48 C
ATOM 549 CD1 LEU A 56 19.874 -2.278 18.907 1.00 20.25 C
ATOM 550 CD2 LEU A 56 21.683 -1.019 20.185 1.00 18.03 C
ATOM 551 H LEU A 56 17.854 1.542 19.767 1.00 0.00 H
ATOM 552 N GLN A 57 19.404 3.774 18.739 1.00 12.14 N
ATOM 553 CA GLN A 57 19.635 5.023 18.036 1.00 11.59 C
ATOM 554 C GLN A 57 19.830 4.873 16.520 1.00 12.27 C
ATOM 555 O GLN A 57 20.820 5.311 15.906 1.00 13.45 O
ATOM 556 CB GLN A 57 20.855 5.694 18.678 1.00 12.22 C
ATOM 557 CG GLN A 57 20.556 6.240 20.069 1.00 12.24 C
ATOM 558 CD GLN A 57 19.611 7.425 20.050 1.00 13.65 C
ATOM 559 OE1 GLN A 57 20.045 8.555 19.847 1.00 14.60 O
ATOM 560 NE2 GLN A 57 18.304 7.233 20.185 1.00 12.42 N
ATOM 561 H GLN A 57 18.664 3.726 19.374 1.00 0.00 H
ATOM 562 HE21 GLN A 57 17.959 6.320 20.328 1.00 0.00 H
ATOM 563 HE22 GLN A 57 17.719 8.019 20.148 1.00 0.00 H
ATOM 564 N ILE A 58 18.836 4.239 15.910 1.00 12.14 N
ATOM 565 CA ILE A 58 18.854 3.980 14.494 1.00 12.98 C
ATOM 566 C ILE A 58 18.528 5.265 13.760 1.00 12.67 C
ATOM 567 O ILE A 58 17.628 6.011 14.128 1.00 12.98 O
ATOM 568 CB ILE A 58 17.859 2.834 14.276 1.00 14.39 C
ATOM 569 CG1 ILE A 58 18.484 1.562 14.885 1.00 13.26 C
ATOM 570 CG2 ILE A 58 17.510 2.664 12.770 1.00 15.51 C
ATOM 571 CD1 ILE A 58 17.506 0.395 14.800 1.00 16.82 C
ATOM 572 H ILE A 58 18.035 3.995 16.431 1.00 0.00 H
ATOM 573 N ASN A 59 19.315 5.539 12.737 1.00 13.50 N
ATOM 574 CA ASN A 59 19.295 6.786 11.980 1.00 15.12 C
ATOM 575 C ASN A 59 18.282 6.883 10.847 1.00 14.38 C
ATOM 576 O ASN A 59 18.171 5.954 10.041 1.00 15.83 O
ATOM 577 CB ASN A 59 20.717 7.023 11.442 1.00 17.96 C
ATOM 578 CG ASN A 59 20.842 8.403 10.831 1.00 19.14 C
ATOM 579 OD1 ASN A 59 20.850 8.534 9.619 1.00 21.29 O
ATOM 580 ND2 ASN A 59 20.881 9.472 11.583 1.00 18.99 N
ATOM 581 H ASN A 59 19.899 4.844 12.450 1.00 0.00 H
ATOM 582 HD21 ASN A 59 20.827 9.396 12.543 1.00 0.00 H
ATOM 583 HD22 ASN A 59 21.012 10.332 11.141 1.00 0.00 H
ATOM 584 N SER A 60 17.639 8.026 10.704 1.00 13.04 N
ATOM 585 CA SER A 60 16.580 8.216 9.723 1.00 14.52 C
ATOM 586 C SER A 60 17.117 8.490 8.338 1.00 15.75 C
ATOM 587 O SER A 60 16.344 8.519 7.385 1.00 16.62 O
ATOM 588 CB SER A 60 15.685 9.391 10.130 1.00 13.63 C
ATOM 589 OG SER A 60 16.456 10.590 10.192 1.00 14.04 O
ATOM 590 H SER A 60 17.845 8.770 11.299 1.00 0.00 H
ATOM 591 HG SER A 60 15.849 11.315 10.418 1.00 0.00 H
ATOM 592 N ARG A 61 18.363 8.779 8.089 1.00 16.23 N
ATOM 593 CA ARG A 61 18.834 8.951 6.713 1.00 20.19 C
ATOM 594 C ARG A 61 18.763 7.650 5.915 1.00 19.36 C
ATOM 595 O ARG A 61 18.410 7.638 4.732 1.00 19.87 O
ATOM 596 CB ARG A 61 20.236 9.507 6.840 1.00 24.58 C
ATOM 597 CG ARG A 61 21.318 9.493 5.755 1.00 33.48 C
ATOM 598 CD ARG A 61 21.008 10.391 4.582 1.00 38.91 C
ATOM 599 NE ARG A 61 20.198 9.692 3.587 1.00 45.79 N
ATOM 600 CZ ARG A 61 20.684 9.299 2.389 1.00 47.04 C
ATOM 601 NH1 ARG A 61 21.958 9.521 2.014 1.00 50.08 N
ATOM 602 NH2 ARG A 61 19.872 8.704 1.508 1.00 49.41 N
ATOM 603 H ARG A 61 18.949 8.878 8.845 1.00 0.00 H
ATOM 604 HE ARG A 61 19.266 9.501 3.798 1.00 0.00 H
ATOM 605 HH11 ARG A 61 22.592 9.988 2.632 1.00 0.00 H
ATOM 606 HH12 ARG A 61 22.283 9.207 1.120 1.00 0.00 H
ATOM 607 HH21 ARG A 61 18.913 8.553 1.739 1.00 0.00 H
ATOM 608 HH22 ARG A 61 20.228 8.408 0.620 1.00 0.00 H
ATOM 609 N TRP A 62 19.054 6.520 6.555 1.00 18.90 N
ATOM 610 CA TRP A 62 19.047 5.241 5.856 1.00 19.40 C
ATOM 611 C TRP A 62 17.994 4.246 6.257 1.00 16.82 C
ATOM 612 O TRP A 62 17.534 3.472 5.423 1.00 18.31 O
ATOM 613 CB TRP A 62 20.345 4.472 6.011 1.00 22.76 C
ATOM 614 CG TRP A 62 21.524 5.201 5.429 1.00 29.69 C
ATOM 615 CD1 TRP A 62 22.357 5.967 6.204 1.00 33.22 C
ATOM 616 CD2 TRP A 62 21.884 5.170 4.115 1.00 35.13 C
ATOM 617 NE1 TRP A 62 23.263 6.431 5.374 1.00 34.42 N
ATOM 618 CE2 TRP A 62 23.026 5.981 4.129 1.00 36.58 C
ATOM 619 CE3 TRP A 62 21.428 4.578 2.934 1.00 38.81 C
ATOM 620 CZ2 TRP A 62 23.738 6.213 2.953 1.00 39.08 C
ATOM 621 CZ3 TRP A 62 22.142 4.808 1.752 1.00 40.00 C
ATOM 622 CH2 TRP A 62 23.286 5.618 1.769 1.00 40.50 C
ATOM 623 H TRP A 62 19.272 6.551 7.509 1.00 0.00 H
ATOM 624 HE1 TRP A 62 24.000 7.024 5.624 1.00 0.00 H
ATOM 625 N TRP A 63 17.566 4.234 7.516 1.00 15.03 N
ATOM 626 CA TRP A 63 16.869 3.062 8.020 1.00 14.61 C
ATOM 627 C TRP A 63 15.398 3.136 8.307 1.00 14.45 C
ATOM 628 O TRP A 63 14.718 2.105 8.294 1.00 15.30 O
ATOM 629 CB TRP A 63 17.606 2.577 9.293 1.00 15.16 C
ATOM 630 CG TRP A 63 19.082 2.279 9.027 1.00 15.76 C
ATOM 631 CD1 TRP A 63 20.091 3.112 9.459 1.00 16.96 C
ATOM 632 CD2 TRP A 63 19.552 1.238 8.271 1.00 15.09 C
ATOM 633 NE1 TRP A 63 21.207 2.612 8.968 1.00 15.80 N
ATOM 634 CE2 TRP A 63 20.938 1.510 8.249 1.00 16.63 C
ATOM 635 CE3 TRP A 63 19.009 0.122 7.609 1.00 15.50 C
ATOM 636 CZ2 TRP A 63 21.812 0.659 7.546 1.00 16.86 C
ATOM 637 CZ3 TRP A 63 19.889 -0.724 6.912 1.00 15.11 C
ATOM 638 CH2 TRP A 63 21.273 -0.451 6.880 1.00 15.98 C
ATOM 639 H TRP A 63 17.731 5.008 8.092 1.00 0.00 H
ATOM 640 HE1 TRP A 63 22.099 2.980 9.134 1.00 0.00 H
ATOM 641 N CYS A 64 14.882 4.315 8.595 1.00 13.72 N
ATOM 642 CA CYS A 64 13.463 4.434 8.916 1.00 14.67 C
ATOM 643 C CYS A 64 12.897 5.728 8.370 1.00 14.77 C
ATOM 644 O CYS A 64 13.651 6.650 8.048 1.00 15.09 O
ATOM 645 CB CYS A 64 13.236 4.383 10.438 1.00 13.72 C
ATOM 646 SG CYS A 64 14.074 5.677 11.400 1.00 13.33 S