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3ICB.pdb
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HEADER CALCIUM-BINDING PROTEIN 09-SEP-86 3ICB
TITLE THE REFINED STRUCTURE OF VITAMIN D-DEPENDENT CALCIUM-
TITLE 2 BINDING PROTEIN FROM BOVINE INTESTINE. MOLECULAR DETAILS,
TITLE 3 ION BINDING, AND IMPLICATIONS FOR THE STRUCTURE OF OTHER
TITLE 4 CALCIUM-BINDING PROTEINS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CALCIUM-BINDING PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913
KEYWDS CALCIUM-BINDING PROTEIN
EXPDTA X-RAY DIFFRACTION
AUTHOR D.M.E.SZEBENYI,K.MOFFAT
REVDAT 3 24-FEB-09 3ICB 1 VERSN
REVDAT 2 01-APR-03 3ICB 1 JRNL
REVDAT 1 24-OCT-86 3ICB 0
SPRSDE 24-OCT-86 3ICB 2ICB
JRNL AUTH D.M.SZEBENYI,K.MOFFAT
JRNL TITL THE REFINED STRUCTURE OF VITAMIN D-DEPENDENT
JRNL TITL 2 CALCIUM-BINDING PROTEIN FROM BOVINE INTESTINE.
JRNL TITL 3 MOLECULAR DETAILS, ION BINDING, AND IMPLICATIONS
JRNL TITL 4 FOR THE STRUCTURE OF OTHER CALCIUM-BINDING
JRNL TITL 5 PROTEINS.
JRNL REF J.BIOL.CHEM. V. 261 8761 1986
JRNL REFN ISSN 0021-9258
JRNL PMID 3722173
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH D.M.E.SZEBENYI,S.K.OBENDORF,K.MOFFAT
REMARK 1 TITL STRUCTURE OF VITAMIN D-DEPENDENT CALCIUM-BINDING
REMARK 1 TITL 2 PROTEIN FROM BOVINE INTESTINE
REMARK 1 REF NATURE V. 294 327 1981
REMARK 1 REFN ISSN 0028-0836
REMARK 1 REFERENCE 2
REMARK 1 AUTH K.MOFFAT,C.H.FULLMER,R.H.WASSERMAN
REMARK 1 TITL PRELIMINARY CRYSTALLOGRAPHIC DATA FOR A CALCIUM
REMARK 1 TITL 2 BINDING PROTEIN FROM BOVINE INTESTINE
REMARK 1 REF J.MOL.BIOL. V. 97 661 1975
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH C.S.FULLMER,R.H.WASSERMAN
REMARK 1 TITL THE AMINO ACID SEQUENCE OF BOVINE INTESTINAL
REMARK 1 TITL 2 CALCIUM-BINDING PROTEIN
REMARK 1 REF J.BIOL.CHEM. V. 256 5669 1981
REMARK 1 REFN ISSN 0021-9258
REMARK 2
REMARK 2 RESOLUTION. 2.30 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PROLSQ
REMARK 3 AUTHORS : KONNERT,HENDRICKSON
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : NULL
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING + TEST SET) : NULL
REMARK 3 R VALUE (WORKING SET) : 0.178
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 600
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 7
REMARK 3 SOLVENT ATOMS : 36
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA
REMARK 3 BOND LENGTH (A) : NULL ; NULL
REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL
REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL
REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL
REMARK 3
REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL
REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL
REMARK 3
REMARK 3 NON-BONDED CONTACT RESTRAINTS.
REMARK 3 SINGLE TORSION (A) : NULL ; NULL
REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL
REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL
REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL
REMARK 3
REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS.
REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL
REMARK 3 PLANAR (DEGREES) : NULL ; NULL
REMARK 3 STAGGERED (DEGREES) : NULL ; NULL
REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3ICB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : NULL
REMARK 200 RADIATION SOURCE : NULL
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
REMARK 200 WAVELENGTH OR RANGE (A) : NULL
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : NULL
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 40.08
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 -X+1/2,Y+1/2,-Z
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 28.10000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.30000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.10000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 21.30000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: 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 400
REMARK 400 COMPOUND
REMARK 400
REMARK 400 THE MOLECULE CONTAINS TWO CALCIUM BINDING LOOPS - I-II
REMARK 400 (CB1) AND III-IV (CB2) COMPRISING RESIDUES 14-27 AND 54-65
REMARK 400 RESPECTIVELY.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 GLU A 60 CD GLU A 60 OE1 -0.079
REMARK 500
REMARK 500 REMARK: NULL
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 GLU A 48 CA - CB - CG ANGL. DEV. = 21.0 DEGREES
REMARK 500 GLU A 60 CG - CD - OE1 ANGL. DEV. = 12.7 DEGREES
REMARK 500 LEU A 69 CA - CB - CG ANGL. DEV. = 15.2 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 LYS A 41 50.16 -118.86
REMARK 500 ASP A 54 90.74 -67.35
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA A 76 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 GLN A 22 O
REMARK 620 2 HOH A 80 O 83.0
REMARK 620 3 ALA A 14 O 85.1 161.0
REMARK 620 4 GLU A 17 O 162.1 98.4 88.5
REMARK 620 5 ASP A 19 O 82.3 91.7 72.0 79.9
REMARK 620 6 GLU A 27 OE1 130.2 119.0 80.0 64.5 134.9
REMARK 620 7 GLU A 27 OE2 84.0 94.1 99.3 113.5 164.4 52.7
REMARK 620 N 1 2 3 4 5 6
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA A 77 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP A 54 OD1
REMARK 620 2 GLU A 60 O 80.3
REMARK 620 3 GLU A 65 OE1 92.1 116.9
REMARK 620 4 HOH A 79 O 164.1 97.5 102.8
REMARK 620 5 ASN A 56 OD1 94.0 153.9 88.6 81.1
REMARK 620 6 ASP A 58 OD1 80.5 82.4 158.1 83.7 71.6
REMARK 620 7 GLU A 65 OE2 116.4 77.0 51.1 77.9 127.4 150.0
REMARK 620 N 1 2 3 4 5 6
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: CB1
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: NULL
REMARK 800 SITE_IDENTIFIER: CB2
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: NULL
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 76
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 77
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 78
DBREF 3ICB A 1 75 UNP P02633 S100G_BOVIN 4 78
SEQRES 1 A 75 LYS SER PRO GLU GLU LEU LYS GLY ILE PHE GLU LYS TYR
SEQRES 2 A 75 ALA ALA LYS GLU GLY ASP PRO ASN GLN LEU SER LYS GLU
SEQRES 3 A 75 GLU LEU LYS LEU LEU LEU GLN THR GLU PHE PRO SER LEU
SEQRES 4 A 75 LEU LYS GLY PRO SER THR LEU ASP GLU LEU PHE GLU GLU
SEQRES 5 A 75 LEU ASP LYS ASN GLY ASP GLY GLU VAL SER PHE GLU GLU
SEQRES 6 A 75 PHE GLN VAL LEU VAL LYS LYS ILE SER GLN
HET CA A 76 1
HET CA A 77 1
HET SO4 A 78 5
HETNAM CA CALCIUM ION
HETNAM SO4 SULFATE ION
FORMUL 2 CA 2(CA 2+)
FORMUL 4 SO4 O4 S 2-
FORMUL 5 HOH *36(H2 O)
HELIX 1 I SER A 2 LYS A 16 1BECOMES 3/10 RES 13-16 15
HELIX 2 II SER A 24 PHE A 36 1 13
HELIX 3 L PHE A 36 LYS A 41 1IRREGULAR 6
HELIX 4 III THR A 45 ASP A 54 1 10
HELIX 5 IV SER A 62 GLN A 75 1IRREGULAR, 3/10 FOR 66-70 14
LINK CA CA A 76 O GLN A 22 1555 1555 2.22
LINK CA CA A 76 O HOH A 80 1555 1555 2.54
LINK CA CA A 76 O ALA A 14 1555 1555 2.16
LINK CA CA A 76 O GLU A 17 1555 1555 2.39
LINK CA CA A 76 O ASP A 19 1555 1555 2.38
LINK CA CA A 76 OE1 GLU A 27 1555 1555 2.51
LINK CA CA A 76 OE2 GLU A 27 1555 1555 2.27
LINK CA CA A 77 OD1 ASP A 54 1555 1555 2.38
LINK CA CA A 77 O GLU A 60 1555 1555 2.26
LINK CA CA A 77 OE1 GLU A 65 1555 1555 2.29
LINK CA CA A 77 O HOH A 79 1555 1555 2.25
LINK CA CA A 77 OD1 ASN A 56 1555 1555 2.45
LINK CA CA A 77 OD1 ASP A 58 1555 1555 2.29
LINK CA CA A 77 OE2 GLU A 65 1555 1555 2.61
SITE 1 CB1 14 ALA A 14 ALA A 15 LYS A 16 GLU A 17
SITE 2 CB1 14 GLY A 18 ASP A 19 PRO A 20 ASN A 21
SITE 3 CB1 14 GLN A 22 LEU A 23 SER A 24 LYS A 25
SITE 4 CB1 14 GLU A 26 GLU A 27
SITE 1 CB2 12 ASP A 54 LYS A 55 ASN A 56 GLY A 57
SITE 2 CB2 12 ASP A 58 GLY A 59 GLU A 60 VAL A 61
SITE 3 CB2 12 SER A 62 PHE A 63 GLU A 64 GLU A 65
SITE 1 AC1 6 ALA A 14 GLU A 17 ASP A 19 GLN A 22
SITE 2 AC1 6 GLU A 27 HOH A 80
SITE 1 AC2 6 ASP A 54 ASN A 56 ASP A 58 GLU A 60
SITE 2 AC2 6 GLU A 65 HOH A 79
SITE 1 AC3 5 GLU A 35 PHE A 36 PRO A 37 SER A 38
SITE 2 AC3 5 HOH A 84
CRYST1 56.200 42.600 29.200 90.00 90.00 90.00 P 21 21 2 4
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.017794 0.000000 0.000000 0.00000
SCALE2 0.000000 0.023494 0.000000 0.00000
SCALE3 0.000000 0.000000 0.034247 0.00000
ATOM 1 N LYS A 1 3.440 10.397 -1.989 1.00 18.23 N
ATOM 2 CA LYS A 1 3.897 11.093 -3.203 1.00 17.09 C
ATOM 3 C LYS A 1 4.920 10.272 -3.962 1.00 16.14 C
ATOM 4 O LYS A 1 5.472 9.269 -3.488 1.00 15.98 O
ATOM 5 CB LYS A 1 4.545 12.393 -2.714 1.00 18.69 C
ATOM 6 CG LYS A 1 3.718 12.949 -1.529 1.00 19.75 C
ATOM 7 CD LYS A 1 4.482 14.041 -0.807 1.00 21.02 C
ATOM 8 CE LYS A 1 4.965 13.581 0.550 1.00 22.73 C
ATOM 9 NZ LYS A 1 3.774 13.315 1.420 1.00 24.88 N
ATOM 10 N SER A 2 5.184 10.759 -5.169 1.00 14.91 N
ATOM 11 CA SER A 2 6.164 10.106 -6.045 1.00 12.43 C
ATOM 12 C SER A 2 7.559 10.305 -5.463 1.00 10.83 C
ATOM 13 O SER A 2 7.776 11.189 -4.644 1.00 10.93 O
ATOM 14 CB SER A 2 6.127 10.586 -7.471 1.00 13.07 C
ATOM 15 OG SER A 2 6.646 11.890 -7.621 1.00 13.28 O
ATOM 16 N PRO A 3 8.436 9.466 -5.979 1.00 10.44 N
ATOM 17 CA PRO A 3 9.823 9.462 -5.576 1.00 10.01 C
ATOM 18 C PRO A 3 10.500 10.788 -5.888 1.00 10.08 C
ATOM 19 O PRO A 3 11.335 11.240 -5.085 1.00 10.42 O
ATOM 20 CB PRO A 3 10.412 8.256 -6.289 1.00 10.13 C
ATOM 21 CG PRO A 3 9.247 7.405 -6.659 1.00 9.99 C
ATOM 22 CD PRO A 3 8.149 8.404 -6.983 1.00 10.13 C
ATOM 23 N GLU A 4 10.120 11.390 -6.990 1.00 10.30 N
ATOM 24 CA GLU A 4 10.667 12.653 -7.479 1.00 10.93 C
ATOM 25 C GLU A 4 10.259 13.832 -6.599 1.00 10.08 C
ATOM 26 O GLU A 4 11.041 14.803 -6.404 1.00 9.14 O
ATOM 27 CB GLU A 4 10.378 12.900 -8.962 1.00 11.24 C
ATOM 28 CG GLU A 4 10.885 14.250 -9.510 1.00 12.85 C
ATOM 29 CD GLU A 4 12.384 14.414 -9.487 1.00 15.35 C
ATOM 30 OE1 GLU A 4 12.973 15.480 -9.503 1.00 15.72 O
ATOM 31 OE2 GLU A 4 12.996 13.304 -9.468 1.00 16.12 O
ATOM 32 N GLU A 5 9.085 13.705 -6.027 1.00 9.47 N
ATOM 33 CA GLU A 5 8.452 14.646 -5.096 1.00 9.31 C
ATOM 34 C GLU A 5 9.149 14.546 -3.729 1.00 8.29 C
ATOM 35 O GLU A 5 9.370 15.582 -3.128 1.00 7.63 O
ATOM 36 CB GLU A 5 6.993 14.350 -4.833 1.00 10.87 C
ATOM 37 CG GLU A 5 6.230 15.160 -3.801 1.00 14.28 C
ATOM 38 CD GLU A 5 4.724 15.139 -3.993 1.00 16.27 C
ATOM 39 OE1 GLU A 5 4.144 14.437 -4.820 1.00 18.50 O
ATOM 40 OE2 GLU A 5 4.146 15.926 -3.227 1.00 16.78 O
ATOM 41 N LEU A 6 9.473 13.317 -3.298 1.00 7.37 N
ATOM 42 CA LEU A 6 10.194 13.162 -2.032 1.00 6.64 C
ATOM 43 C LEU A 6 11.604 13.764 -2.161 1.00 5.41 C
ATOM 44 O LEU A 6 12.097 14.327 -1.177 1.00 5.26 O
ATOM 45 CB LEU A 6 10.233 11.706 -1.593 1.00 8.26 C
ATOM 46 CG LEU A 6 8.839 11.159 -1.220 1.00 11.69 C
ATOM 47 CD1 LEU A 6 8.930 9.768 -0.615 1.00 11.31 C
ATOM 48 CD2 LEU A 6 8.239 12.196 -0.260 1.00 12.48 C
ATOM 49 N LYS A 7 12.224 13.575 -3.291 1.00 4.35 N
ATOM 50 CA LYS A 7 13.572 14.104 -3.498 1.00 5.66 C
ATOM 51 C LYS A 7 13.515 15.621 -3.411 1.00 4.64 C
ATOM 52 O LYS A 7 14.439 16.301 -2.930 1.00 5.13 O
ATOM 53 CB LYS A 7 14.219 13.606 -4.771 1.00 7.91 C
ATOM 54 CG LYS A 7 15.674 14.013 -4.919 1.00 11.22 C
ATOM 55 CD LYS A 7 16.516 13.117 -5.813 1.00 13.26 C
ATOM 56 CE LYS A 7 17.958 12.966 -5.286 1.00 15.80 C
ATOM 57 NZ LYS A 7 18.520 11.643 -5.784 1.00 18.48 N
ATOM 58 N GLY A 8 12.396 16.134 -3.813 1.00 5.16 N
ATOM 59 CA GLY A 8 12.092 17.578 -3.812 1.00 5.29 C
ATOM 60 C GLY A 8 12.081 18.149 -2.387 1.00 5.32 C
ATOM 61 O GLY A 8 12.677 19.220 -2.106 1.00 5.64 O
ATOM 62 N ILE A 9 11.365 17.474 -1.536 1.00 5.37 N
ATOM 63 CA ILE A 9 11.168 17.753 -0.086 1.00 4.93 C
ATOM 64 C ILE A 9 12.530 17.546 0.563 1.00 4.55 C
ATOM 65 O ILE A 9 13.098 18.466 1.160 1.00 5.29 O
ATOM 66 CB ILE A 9 10.043 16.794 0.425 1.00 5.10 C
ATOM 67 CG1 ILE A 9 8.683 17.233 -0.197 1.00 3.71 C
ATOM 68 CG2 ILE A 9 9.859 16.517 1.922 1.00 2.58 C
ATOM 69 CD1 ILE A 9 7.557 16.223 0.303 1.00 5.25 C
ATOM 70 N PHE A 10 13.081 16.336 0.400 1.00 4.51 N
ATOM 71 CA PHE A 10 14.426 16.064 0.939 1.00 4.46 C
ATOM 72 C PHE A 10 15.316 17.291 0.691 1.00 6.70 C
ATOM 73 O PHE A 10 15.913 17.825 1.637 1.00 8.18 O
ATOM 74 CB PHE A 10 15.072 14.789 0.406 1.00 2.01 C
ATOM 75 CG PHE A 10 16.496 14.590 0.809 1.00 2.00 C
ATOM 76 CD1 PHE A 10 16.822 13.894 1.982 1.00 2.00 C
ATOM 77 CD2 PHE A 10 17.530 15.118 0.043 1.00 2.00 C
ATOM 78 CE1 PHE A 10 18.159 13.713 2.362 1.00 2.00 C
ATOM 79 CE2 PHE A 10 18.877 14.978 0.411 1.00 2.00 C
ATOM 80 CZ PHE A 10 19.187 14.235 1.575 1.00 2.00 C
ATOM 81 N GLU A 11 15.421 17.704 -0.548 1.00 7.84 N
ATOM 82 CA GLU A 11 16.202 18.783 -1.104 1.00 8.54 C
ATOM 83 C GLU A 11 16.078 20.179 -0.543 1.00 6.72 C
ATOM 84 O GLU A 11 17.121 20.847 -0.324 1.00 5.06 O
ATOM 85 CB GLU A 11 15.981 18.836 -2.627 1.00 15.11 C
ATOM 86 CG GLU A 11 17.088 18.245 -3.498 1.00 18.56 C
ATOM 87 CD GLU A 11 16.839 18.427 -4.971 1.00 22.46 C
ATOM 88 OE1 GLU A 11 17.078 17.519 -5.750 1.00 23.62 O
ATOM 89 OE2 GLU A 11 16.370 19.559 -5.287 1.00 25.38 O
ATOM 90 N LYS A 12 14.861 20.621 -0.273 1.00 6.69 N
ATOM 91 CA LYS A 12 14.643 21.946 0.341 1.00 6.59 C
ATOM 92 C LYS A 12 15.383 22.028 1.673 1.00 4.92 C
ATOM 93 O LYS A 12 16.006 23.047 1.991 1.00 4.94 O
ATOM 94 CB LYS A 12 13.171 22.249 0.629 1.00 8.47 C
ATOM 95 CG LYS A 12 12.382 22.575 -0.625 1.00 11.29 C
ATOM 96 CD LYS A 12 10.983 23.025 -0.407 1.00 13.52 C
ATOM 97 CE LYS A 12 10.173 22.249 0.619 1.00 14.70 C
ATOM 98 NZ LYS A 12 9.470 23.288 1.470 1.00 16.73 N
ATOM 99 N TYR A 13 15.292 20.971 2.439 1.00 4.20 N
ATOM 100 CA TYR A 13 15.890 20.838 3.760 1.00 2.95 C
ATOM 101 C TYR A 13 17.367 20.589 3.769 1.00 2.43 C
ATOM 102 O TYR A 13 18.119 21.337 4.438 1.00 2.31 O
ATOM 103 CB TYR A 13 15.101 19.755 4.552 1.00 3.85 C
ATOM 104 CG TYR A 13 13.680 20.233 4.795 1.00 5.17 C
ATOM 105 CD1 TYR A 13 13.378 21.044 5.880 1.00 6.31 C
ATOM 106 CD2 TYR A 13 12.629 19.881 3.950 1.00 6.80 C
ATOM 107 CE1 TYR A 13 12.079 21.485 6.131 1.00 6.97 C
ATOM 108 CE2 TYR A 13 11.315 20.332 4.162 1.00 5.53 C
ATOM 109 CZ TYR A 13 11.063 21.132 5.252 1.00 5.87 C
ATOM 110 OH TYR A 13 9.801 21.573 5.483 1.00 8.00 O
ATOM 111 N ALA A 14 17.876 19.583 3.115 1.00 2.23 N
ATOM 112 CA ALA A 14 19.323 19.287 3.086 1.00 2.87 C
ATOM 113 C ALA A 14 20.263 20.477 2.848 1.00 3.54 C
ATOM 114 O ALA A 14 21.466 20.513 3.289 1.00 3.81 O
ATOM 115 CB ALA A 14 19.550 18.308 1.920 1.00 2.96 C
ATOM 116 N ALA A 15 19.761 21.432 2.101 1.00 2.00 N
ATOM 117 CA ALA A 15 20.399 22.654 1.705 1.00 2.00 C
ATOM 118 C ALA A 15 20.308 23.774 2.716 1.00 2.00 C
ATOM 119 O ALA A 15 20.938 24.806 2.381 1.00 2.92 O
ATOM 120 CB ALA A 15 19.762 23.179 0.386 1.00 2.00 C
ATOM 121 N LYS A 16 19.575 23.714 3.810 1.00 2.00 N
ATOM 122 CA LYS A 16 19.518 24.891 4.710 1.00 2.54 C
ATOM 123 C LYS A 16 20.850 25.230 5.356 1.00 2.31 C
ATOM 124 O LYS A 16 21.095 26.403 5.708 1.00 2.00 O
ATOM 125 CB LYS A 16 18.408 24.783 5.749 1.00 3.87 C
ATOM 126 CG LYS A 16 17.125 24.195 5.190 1.00 5.37 C
ATOM 127 CD LYS A 16 15.912 24.237 6.087 1.00 7.24 C
ATOM 128 CE LYS A 16 14.670 24.790 5.417 1.00 8.39 C
ATOM 129 NZ LYS A 16 14.691 26.305 5.643 1.00 15.30 N
ATOM 130 N GLU A 17 21.712 24.225 5.481 1.00 2.43 N
ATOM 131 CA GLU A 17 23.041 24.322 6.095 1.00 2.59 C
ATOM 132 C GLU A 17 23.926 23.111 5.717 1.00 3.37 C
ATOM 133 O GLU A 17 23.431 22.091 5.231 1.00 3.77 O
ATOM 134 CB GLU A 17 22.948 24.263 7.628 1.00 3.30 C
ATOM 135 CG GLU A 17 22.497 22.988 8.309 1.00 5.65 C
ATOM 136 CD GLU A 17 22.483 22.840 9.784 1.00 9.30 C
ATOM 137 OE1 GLU A 17 21.712 22.085 10.377 1.00 8.57 O
ATOM 138 OE2 GLU A 17 23.348 23.512 10.428 1.00 10.96 O
ATOM 139 N GLY A 18 25.202 23.257 6.025 1.00 3.95 N
ATOM 140 CA GLY A 18 26.332 22.357 5.858 1.00 3.89 C
ATOM 141 C GLY A 18 26.411 21.850 4.405 1.00 3.14 C
ATOM 142 O GLY A 18 26.426 22.713 3.545 1.00 3.24 O
ATOM 143 N ASP A 19 26.406 20.558 4.254 1.00 3.15 N
ATOM 144 CA ASP A 19 26.399 19.902 2.919 1.00 4.37 C
ATOM 145 C ASP A 19 24.967 20.187 2.432 1.00 4.09 C
ATOM 146 O ASP A 19 24.060 19.850 3.236 1.00 3.43 O
ATOM 147 CB ASP A 19 26.771 18.427 3.145 1.00 5.51 C
ATOM 148 CG ASP A 19 26.972 17.650 1.861 1.00 7.61 C
ATOM 149 OD1 ASP A 19 26.381 18.028 0.833 1.00 10.63 O
ATOM 150 OD2 ASP A 19 27.645 16.610 1.834 1.00 6.63 O
ATOM 151 N PRO A 20 24.807 20.851 1.298 1.00 3.88 N
ATOM 152 CA PRO A 20 23.496 21.205 0.755 1.00 3.71 C
ATOM 153 C PRO A 20 22.752 20.036 0.161 1.00 4.85 C
ATOM 154 O PRO A 20 21.648 20.248 -0.356 1.00 4.26 O
ATOM 155 CB PRO A 20 23.805 22.224 -0.355 1.00 3.04 C
ATOM 156 CG PRO A 20 25.116 21.746 -0.881 1.00 3.75 C
ATOM 157 CD PRO A 20 25.880 21.287 0.384 1.00 4.21 C
ATOM 158 N ASN A 21 23.395 18.883 0.208 1.00 7.02 N
ATOM 159 CA ASN A 21 23.014 17.605 -0.320 1.00 8.81 C
ATOM 160 C ASN A 21 22.575 16.532 0.692 1.00 9.32 C
ATOM 161 O ASN A 21 22.029 15.530 0.177 1.00 11.40 O
ATOM 162 CB ASN A 21 24.241 16.859 -0.953 1.00 12.79 C
ATOM 163 CG ASN A 21 24.672 17.491 -2.249 1.00 14.34 C
ATOM 164 OD1 ASN A 21 23.808 17.680 -3.114 1.00 13.57 O
ATOM 165 ND2 ASN A 21 25.984 17.783 -2.271 1.00 17.61 N
ATOM 166 N GLN A 22 22.911 16.765 1.910 1.00 8.24 N
ATOM 167 CA GLN A 22 22.677 15.879 3.041 1.00 6.55 C
ATOM 168 C GLN A 22 22.034 16.581 4.228 1.00 5.51 C
ATOM 169 O GLN A 22 22.102 17.828 4.354 1.00 3.75 O
ATOM 170 CB GLN A 22 24.061 15.295 3.404 1.00 7.84 C
ATOM 171 CG GLN A 22 24.715 14.801 2.064 1.00 9.32 C
ATOM 172 CD GLN A 22 25.718 13.766 2.551 1.00 12.94 C
ATOM 173 OE1 GLN A 22 25.388 12.598 2.645 1.00 14.08 O
ATOM 174 NE2 GLN A 22 26.865 14.271 2.997 1.00 14.21 N
ATOM 175 N LEU A 23 21.381 15.729 5.032 1.00 3.17 N
ATOM 176 CA LEU A 23 20.689 16.172 6.215 1.00 3.17 C
ATOM 177 C LEU A 23 21.636 16.045 7.442 1.00 2.41 C
ATOM 178 O LEU A 23 22.319 15.061 7.596 1.00 2.00 O
ATOM 179 CB LEU A 23 19.399 15.384 6.542 1.00 2.00 C
ATOM 180 CG LEU A 23 18.319 15.359 5.498 1.00 2.30 C
ATOM 181 CD1 LEU A 23 17.283 14.260 5.703 1.00 2.00 C
ATOM 182 CD2 LEU A 23 17.604 16.733 5.483 1.00 2.00 C
ATOM 183 N SER A 24 21.542 17.069 8.215 1.00 2.93 N
ATOM 184 CA SER A 24 22.132 17.357 9.504 1.00 2.41 C
ATOM 185 C SER A 24 21.032 16.843 10.465 1.00 3.73 C
ATOM 186 O SER A 24 19.882 16.549 10.014 1.00 3.47 O
ATOM 187 CB SER A 24 22.348 18.862 9.591 1.00 2.00 C
ATOM 188 OG SER A 24 21.219 19.539 10.099 1.00 3.87 O
ATOM 189 N LYS A 25 21.338 16.616 11.710 1.00 4.16 N
ATOM 190 CA LYS A 25 20.256 16.182 12.648 1.00 5.60 C
ATOM 191 C LYS A 25 19.192 17.300 12.682 1.00 5.81 C
ATOM 192 O LYS A 25 18.000 16.979 12.763 1.00 7.79 O
ATOM 193 CB LYS A 25 20.815 16.036 14.022 1.00 6.81 C
ATOM 194 CG LYS A 25 20.227 15.122 15.082 1.00 9.93 C
ATOM 195 CD LYS A 25 21.049 15.453 16.351 1.00 12.84 C
ATOM 196 CE LYS A 25 21.442 14.220 17.137 1.00 15.00 C
ATOM 197 NZ LYS A 25 21.734 14.699 18.554 1.00 17.17 N
ATOM 198 N GLU A 26 19.517 18.570 12.621 1.00 5.01 N
ATOM 199 CA GLU A 26 18.629 19.706 12.688 1.00 4.91 C
ATOM 200 C GLU A 26 17.628 19.868 11.553 1.00 3.48 C
ATOM 201 O GLU A 26 16.458 20.276 11.721 1.00 2.00 O
ATOM 202 CB GLU A 26 19.459 20.993 12.610 1.00 12.35 C
ATOM 203 CG GLU A 26 20.110 21.455 13.909 1.00 20.20 C
ATOM 204 CD GLU A 26 19.054 22.094 14.786 1.00 26.40 C
ATOM 205 OE1 GLU A 26 18.381 21.417 15.561 1.00 30.44 O
ATOM 206 OE2 GLU A 26 18.984 23.329 14.572 1.00 29.97 O
ATOM 207 N GLU A 27 18.199 19.636 10.386 1.00 2.17 N
ATOM 208 CA GLU A 27 17.477 19.658 9.100 1.00 2.00 C
ATOM 209 C GLU A 27 16.540 18.475 9.026 1.00 2.00 C
ATOM 210 O GLU A 27 15.427 18.607 8.514 1.00 2.00 O
ATOM 211 CB GLU A 27 18.474 19.576 7.932 1.00 2.00 C
ATOM 212 CG GLU A 27 19.167 20.856 7.478 1.00 3.37 C
ATOM 213 CD GLU A 27 20.367 20.706 6.602 1.00 6.47 C
ATOM 214 OE1 GLU A 27 20.994 21.604 6.058 1.00 7.18 O
ATOM 215 OE2 GLU A 27 20.760 19.520 6.439 1.00 8.23 O
ATOM 216 N LEU A 28 16.923 17.303 9.524 1.00 2.00 N
ATOM 217 CA LEU A 28 16.055 16.134 9.541 1.00 2.00 C
ATOM 218 C LEU A 28 14.897 16.422 10.511 1.00 2.00 C
ATOM 219 O LEU A 28 13.715 16.089 10.294 1.00 2.00 O
ATOM 220 CB LEU A 28 16.822 14.846 9.898 1.00 2.00 C
ATOM 221 CG LEU A 28 15.897 13.608 10.016 1.00 2.00 C
ATOM 222 CD1 LEU A 28 15.421 13.075 8.689 1.00 2.00 C
ATOM 223 CD2 LEU A 28 16.607 12.509 10.791 1.00 2.43 C
ATOM 224 N LYS A 29 15.238 17.083 11.610 1.00 2.57 N
ATOM 225 CA LYS A 29 14.198 17.401 12.609 1.00 4.69 C
ATOM 226 C LYS A 29 13.143 18.325 12.011 1.00 4.28 C
ATOM 227 O LYS A 29 11.924 18.161 12.077 1.00 3.89 O
ATOM 228 CB LYS A 29 14.800 17.997 13.861 1.00 6.66 C
ATOM 229 CG LYS A 29 13.692 18.393 14.850 1.00 8.35 C
ATOM 230 CD LYS A 29 14.315 19.255 15.932 1.00 12.21 C
ATOM 231 CE LYS A 29 13.322 20.188 16.564 1.00 13.87 C
ATOM 232 NZ LYS A 29 12.304 19.410 17.351 1.00 15.53 N
ATOM 233 N LEU A 30 13.678 19.315 11.368 1.00 4.88 N
ATOM 234 CA LEU A 30 12.934 20.398 10.657 1.00 4.42 C
ATOM 235 C LEU A 30 12.053 19.764 9.599 1.00 4.58 C
ATOM 236 O LEU A 30 10.824 20.018 9.432 1.00 4.29 O
ATOM 237 CB LEU A 30 14.083 21.327 10.284 1.00 5.42 C
ATOM 238 CG LEU A 30 13.958 22.735 9.821 1.00 7.82 C
ATOM 239 CD1 LEU A 30 12.814 23.467 10.516 1.00 9.58 C
ATOM 240 CD2 LEU A 30 15.296 23.475 10.057 1.00 7.41 C
ATOM 241 N LEU A 31 12.637 18.839 8.820 1.00 3.19 N
ATOM 242 CA LEU A 31 11.863 18.199 7.775 1.00 3.46 C
ATOM 243 C LEU A 31 10.680 17.449 8.329 1.00 3.98 C
ATOM 244 O LEU A 31 9.583 17.601 7.851 1.00 4.37 O
ATOM 245 CB LEU A 31 12.796 17.269 6.985 1.00 4.63 C
ATOM 246 CG LEU A 31 12.176 16.619 5.751 1.00 3.68 C
ATOM 247 CD1 LEU A 31 13.326 16.168 4.854 1.00 4.23 C
ATOM 248 CD2 LEU A 31 11.367 15.412 6.221 1.00 4.47 C
ATOM 249 N LEU A 32 11.022 16.621 9.290 1.00 5.88 N
ATOM 250 CA LEU A 32 10.123 15.705 9.973 1.00 6.77 C
ATOM 251 C LEU A 32 8.982 16.410 10.652 1.00 8.03 C
ATOM 252 O LEU A 32 7.791 16.019 10.491 1.00 8.50 O
ATOM 253 CB LEU A 32 10.950 14.767 10.861 1.00 4.63 C
ATOM 254 CG LEU A 32 11.743 13.610 10.319 1.00 3.71 C
ATOM 255 CD1 LEU A 32 12.209 12.677 11.449 1.00 2.72 C
ATOM 256 CD2 LEU A 32 11.003 12.751 9.316 1.00 3.20 C
ATOM 257 N GLN A 33 9.289 17.438 11.437 1.00 9.72 N
ATOM 258 CA GLN A 33 8.124 18.074 12.087 1.00 12.40 C
ATOM 259 C GLN A 33 7.273 18.810 11.093 1.00 13.40 C
ATOM 260 O GLN A 33 6.026 18.613 11.226 1.00 15.65 O
ATOM 261 CB GLN A 33 8.407 18.825 13.335 1.00 16.00 C
ATOM 262 CG GLN A 33 9.723 19.553 13.362 1.00 18.81 C
ATOM 263 CD GLN A 33 10.001 20.158 14.729 1.00 19.16 C
ATOM 264 OE1 GLN A 33 10.004 19.464 15.735 1.00 19.96 O
ATOM 265 NE2 GLN A 33 10.247 21.456 14.726 1.00 20.33 N
ATOM 266 N THR A 34 7.815 19.548 10.128 1.00 13.61 N
ATOM 267 CA THR A 34 6.931 20.285 9.172 1.00 12.11 C
ATOM 268 C THR A 34 6.146 19.393 8.220 1.00 11.71 C
ATOM 269 O THR A 34 4.932 19.549 8.008 1.00 11.69 O
ATOM 270 CB THR A 34 7.691 21.422 8.395 1.00 10.24 C
ATOM 271 OG1 THR A 34 8.683 22.008 9.287 1.00 9.45 O
ATOM 272 CG2 THR A 34 6.813 22.508 7.770 1.00 9.04 C
ATOM 273 N GLU A 35 6.831 18.454 7.593 1.00 11.87 N
ATOM 274 CA GLU A 35 6.303 17.520 6.604 1.00 10.61 C
ATOM 275 C GLU A 35 5.771 16.240 7.154 1.00 10.68 C
ATOM 276 O GLU A 35 4.600 15.943 6.795 1.00 12.97 O
ATOM 277 CB GLU A 35 7.371 17.262 5.534 1.00 10.20 C
ATOM 278 CG GLU A 35 8.111 18.532 5.023 1.00 7.91 C
ATOM 279 CD GLU A 35 7.223 19.439 4.250 1.00 8.79 C
ATOM 280 OE1 GLU A 35 7.180 20.661 4.252 1.00 11.58 O
ATOM 281 OE2 GLU A 35 6.369 18.772 3.612 1.00 10.07 O
ATOM 282 N PHE A 36 6.437 15.511 7.999 1.00 11.04 N
ATOM 283 CA PHE A 36 5.959 14.248 8.557 1.00 13.16 C
ATOM 284 C PHE A 36 5.964 14.110 10.075 1.00 14.92 C
ATOM 285 O PHE A 36 6.695 13.230 10.616 1.00 14.36 O
ATOM 286 CB PHE A 36 6.768 13.069 7.940 1.00 12.27 C
ATOM 287 CG PHE A 36 6.988 13.189 6.467 1.00 12.49 C
ATOM 288 CD1 PHE A 36 8.152 13.792 5.979 1.00 12.18 C
ATOM 289 CD2 PHE A 36 6.020 12.733 5.558 1.00 12.63 C
ATOM 290 CE1 PHE A 36 8.399 13.953 4.621 1.00 11.82 C
ATOM 291 CE2 PHE A 36 6.245 12.900 4.185 1.00 13.06 C
ATOM 292 CZ PHE A 36 7.444 13.491 3.724 1.00 11.79 C
ATOM 293 N PRO A 37 5.105 14.862 10.765 1.00 15.69 N
ATOM 294 CA PRO A 37 4.982 14.848 12.206 1.00 15.92 C
ATOM 295 C PRO A 37 4.878 13.555 12.954 1.00 16.59 C
ATOM 296 O PRO A 37 5.430 13.540 14.102 1.00 16.98 O
ATOM 297 CB PRO A 37 3.849 15.830 12.528 1.00 15.27 C
ATOM 298 CG PRO A 37 3.841 16.771 11.337 1.00 16.27 C
ATOM 299 CD PRO A 37 4.215 15.888 10.149 1.00 15.92 C
ATOM 300 N SER A 38 4.279 12.471 12.525 1.00 17.65 N
ATOM 301 CA SER A 38 4.248 11.257 13.365 1.00 20.20 C
ATOM 302 C SER A 38 5.467 10.366 13.167 1.00 21.78 C
ATOM 303 O SER A 38 5.478 9.253 13.772 1.00 23.75 O
ATOM 304 CB SER A 38 3.105 10.328 12.939 1.00 22.30 C
ATOM 305 OG SER A 38 3.511 9.913 11.615 1.00 25.09 O
ATOM 306 N LEU A 39 6.378 10.736 12.279 1.00 21.65 N
ATOM 307 CA LEU A 39 7.518 9.817 12.086 1.00 21.23 C
ATOM 308 C LEU A 39 8.371 9.955 13.348 1.00 21.19 C
ATOM 309 O LEU A 39 8.888 8.961 13.845 1.00 20.35 O
ATOM 310 CB LEU A 39 8.223 10.120 10.789 1.00 20.67 C
ATOM 311 CG LEU A 39 7.906 9.325 9.547 1.00 20.17 C
ATOM 312 CD1 LEU A 39 9.160 9.206 8.673 1.00 20.20 C
ATOM 313 CD2 LEU A 39 7.479 7.906 9.932 1.00 18.77 C
ATOM 314 N LEU A 40 8.420 11.228 13.723 1.00 22.78 N
ATOM 315 CA LEU A 40 9.229 11.664 14.870 1.00 24.29 C
ATOM 316 C LEU A 40 8.501 11.576 16.189 1.00 24.17 C
ATOM 317 O LEU A 40 9.189 11.830 17.213 1.00 25.94 O
ATOM 318 CB LEU A 40 9.958 12.973 14.579 1.00 25.30 C
ATOM 319 CG LEU A 40 9.268 14.299 14.795 1.00 26.12 C
ATOM 320 CD1 LEU A 40 9.522 14.843 16.196 1.00 27.47 C
ATOM 321 CD2 LEU A 40 9.769 15.356 13.806 1.00 26.21 C
ATOM 322 N LYS A 41 7.241 11.196 16.225 1.00 23.32 N
ATOM 323 CA LYS A 41 6.540 11.040 17.497 1.00 22.24 C
ATOM 324 C LYS A 41 6.088 9.594 17.650 1.00 21.55 C
ATOM 325 O LYS A 41 4.911 9.337 17.963 1.00 22.38 O
ATOM 326 CB LYS A 41 5.372 11.975 17.718 1.00 26.17 C
ATOM 327 CG LYS A 41 5.814 13.416 17.979 1.00 29.14 C
ATOM 328 CD LYS A 41 5.300 13.950 19.321 1.00 31.54 C
ATOM 329 CE LYS A 41 6.202 15.103 19.764 1.00 33.85 C
ATOM 330 NZ LYS A 41 5.378 16.273 20.176 1.00 35.59 N
ATOM 331 N GLY A 42 7.021 8.693 17.440 1.00 19.59 N
ATOM 332 CA GLY A 42 6.842 7.225 17.513 1.00 17.18 C
ATOM 333 C GLY A 42 7.733 6.709 18.643 1.00 15.33 C
ATOM 334 O GLY A 42 7.961 7.570 19.525 1.00 17.32 O
ATOM 335 N PRO A 43 8.188 5.466 18.568 1.00 12.32 N
ATOM 336 CA PRO A 43 9.033 4.837 19.567 1.00 10.42 C
ATOM 337 C PRO A 43 10.461 5.312 19.603 1.00 9.91 C
ATOM 338 O PRO A 43 11.132 5.115 20.643 1.00 9.15 O
ATOM 339 CB PRO A 43 9.048 3.343 19.256 1.00 9.66 C
ATOM 340 CG PRO A 43 8.735 3.299 17.797 1.00 10.34 C
ATOM 341 CD PRO A 43 7.868 4.511 17.501 1.00 11.47 C
ATOM 342 N SER A 44 10.912 5.847 18.493 1.00 10.09 N
ATOM 343 CA SER A 44 12.317 6.343 18.438 1.00 11.06 C
ATOM 344 C SER A 44 12.373 7.831 18.754 1.00 11.33 C
ATOM 345 O SER A 44 11.366 8.557 18.618 1.00 13.51 O
ATOM 346 CB SER A 44 12.882 6.018 17.082 1.00 11.71 C
ATOM 347 OG SER A 44 13.254 4.665 16.961 1.00 16.91 O
ATOM 348 N THR A 45 13.491 8.307 19.242 1.00 11.14 N
ATOM 349 CA THR A 45 13.665 9.749 19.492 1.00 11.15 C
ATOM 350 C THR A 45 14.333 10.235 18.198 1.00 11.76 C
ATOM 351 O THR A 45 14.861 9.390 17.440 1.00 11.69 O
ATOM 352 CB THR A 45 14.629 10.034 20.696 1.00 11.07 C
ATOM 353 OG1 THR A 45 15.792 9.172 20.400 1.00 11.74 O
ATOM 354 CG2 THR A 45 14.002 9.784 22.055 1.00 9.93 C
ATOM 355 N LEU A 46 14.354 11.524 17.969 1.00 12.04 N
ATOM 356 CA LEU A 46 14.981 12.040 16.745 1.00 11.42 C
ATOM 357 C LEU A 46 16.437 11.587 16.685 1.00 11.24 C
ATOM 358 O LEU A 46 16.899 11.188 15.602 1.00 11.89 O
ATOM 359 CB LEU A 46 14.867 13.565 16.726 1.00 12.01 C
ATOM 360 CG LEU A 46 15.659 14.195 15.586 1.00 11.83 C
ATOM 361 CD1 LEU A 46 14.730 14.442 14.426 1.00 12.96 C
ATOM 362 CD2 LEU A 46 16.212 15.505 16.134 1.00 14.66 C
ATOM 363 N ASP A 47 17.066 11.650 17.823 1.00 11.03 N
ATOM 364 CA ASP A 47 18.457 11.262 17.981 1.00 12.93 C
ATOM 365 C ASP A 47 18.644 9.813 17.497 1.00 13.16 C
ATOM 366 O ASP A 47 19.605 9.558 16.772 1.00 12.57 O
ATOM 367 CB ASP A 47 18.940 11.387 19.410 1.00 16.96 C
ATOM 368 CG ASP A 47 19.338 12.721 19.961 1.00 19.41 C
ATOM 369 OD1 ASP A 47 20.328 12.740 20.746 1.00 22.96 O
ATOM 370 OD2 ASP A 47 18.706 13.776 19.726 1.00 19.69 O
ATOM 371 N GLU A 48 17.733 8.970 17.972 1.00 13.49 N
ATOM 372 CA GLU A 48 17.771 7.531 17.671 1.00 13.17 C
ATOM 373 C GLU A 48 17.411 7.233 16.233 1.00 12.36 C
ATOM 374 O GLU A 48 17.941 6.278 15.624 1.00 11.40 O
ATOM 375 CB GLU A 48 17.132 6.673 18.691 1.00 16.36 C
ATOM 376 CG GLU A 48 15.741 6.511 19.189 1.00 17.18 C
ATOM 377 CD GLU A 48 15.542 5.892 20.543 1.00 17.15 C
ATOM 378 OE1 GLU A 48 16.135 4.955 21.027 1.00 16.00 O
ATOM 379 OE2 GLU A 48 14.623 6.487 21.168 1.00 20.61 O
ATOM 380 N LEU A 49 16.588 8.085 15.643 1.00 11.26 N
ATOM 381 CA LEU A 49 16.221 7.943 14.209 1.00 10.58 C
ATOM 382 C LEU A 49 17.476 8.324 13.411 1.00 10.14 C
ATOM 383 O LEU A 49 17.866 7.682 12.462 1.00 10.65 O
ATOM 384 CB LEU A 49 15.051 8.850 14.005 1.00 11.85 C
ATOM 385 CG LEU A 49 13.941 8.535 13.050 1.00 12.09 C
ATOM 386 CD1 LEU A 49 13.809 7.044 12.808 1.00 13.62 C
ATOM 387 CD2 LEU A 49 12.665 9.064 13.736 1.00 12.35 C
ATOM 388 N PHE A 50 18.131 9.384 13.833 1.00 10.52 N
ATOM 389 CA PHE A 50 19.374 9.863 13.264 1.00 10.82 C
ATOM 390 C PHE A 50 20.440 8.776 13.221 1.00 11.63 C
ATOM 391 O PHE A 50 21.137 8.590 12.210 1.00 12.18 O
ATOM 392 CB PHE A 50 19.951 11.150 13.911 1.00 7.78 C
ATOM 393 CG PHE A 50 20.900 11.783 12.892 1.00 7.83 C
ATOM 394 CD1 PHE A 50 22.282 11.762 13.083 1.00 6.39 C
ATOM 395 CD2 PHE A 50 20.392 12.340 11.713 1.00 5.89 C
ATOM 396 CE1 PHE A 50 23.130 12.324 12.131 1.00 4.62 C
ATOM 397 CE2 PHE A 50 21.232 12.908 10.744 1.00 4.94 C
ATOM 398 CZ PHE A 50 22.615 12.903 10.972 1.00 4.60 C
ATOM 399 N GLU A 51 20.650 8.048 14.295 1.00 13.63 N
ATOM 400 CA GLU A 51 21.670 6.996 14.325 1.00 15.13 C
ATOM 401 C GLU A 51 21.371 5.897 13.312 1.00 14.28 C
ATOM 402 O GLU A 51 22.236 5.346 12.638 1.00 15.15 O
ATOM 403 CB GLU A 51 21.730 6.294 15.681 1.00 19.77 C
ATOM 404 CG GLU A 51 22.420 7.051 16.806 1.00 27.47 C
ATOM 405 CD GLU A 51 23.905 7.249 16.822 1.00 30.18 C
ATOM 406 OE1 GLU A 51 24.459 8.357 16.750 1.00 32.08 O
ATOM 407 OE2 GLU A 51 24.546 6.171 16.982 1.00 30.96 O
ATOM 408 N GLU A 52 20.111 5.520 13.293 1.00 13.49 N
ATOM 409 CA GLU A 52 19.608 4.454 12.431 1.00 11.15 C
ATOM 410 C GLU A 52 19.874 4.857 10.992 1.00 9.72 C
ATOM 411 O GLU A 52 20.418 4.106 10.191 1.00 8.88 O
ATOM 412 CB GLU A 52 18.096 4.271 12.629 1.00 13.68 C
ATOM 413 CG GLU A 52 17.495 3.018 12.087 1.00 16.46 C
ATOM 414 CD GLU A 52 16.057 2.694 12.067 1.00 17.16 C
ATOM 415 OE1 GLU A 52 15.291 2.911 12.982 1.00 19.25 O
ATOM 416 OE2 GLU A 52 15.722 2.119 10.989 1.00 18.18 O
ATOM 417 N LEU A 53 19.474 6.094 10.706 1.00 8.56 N
ATOM 418 CA LEU A 53 19.653 6.602 9.347 1.00 7.92 C
ATOM 419 C LEU A 53 21.121 6.836 9.027 1.00 6.47 C
ATOM 420 O LEU A 53 21.529 6.385 7.930 1.00 7.65 O
ATOM 421 CB LEU A 53 18.667 7.661 9.018 1.00 8.78 C
ATOM 422 CG LEU A 53 17.203 7.697 9.304 1.00 8.99 C
ATOM 423 CD1 LEU A 53 16.621 9.032 8.806 1.00 7.71 C
ATOM 424 CD2 LEU A 53 16.474 6.535 8.646 1.00 8.48 C
ATOM 425 N ASP A 54 21.947 7.458 9.809 1.00 5.09 N
ATOM 426 CA ASP A 54 23.359 7.633 9.427 1.00 5.73 C
ATOM 427 C ASP A 54 24.111 6.299 9.397 1.00 7.89 C
ATOM 428 O ASP A 54 24.718 5.880 10.399 1.00 7.97 O
ATOM 429 CB ASP A 54 23.990 8.723 10.292 1.00 2.00 C
ATOM 430 CG ASP A 54 25.366 9.116 9.801 1.00 2.00 C
ATOM 431 OD1 ASP A 54 25.663 8.803 8.641 1.00 2.00 O
ATOM 432 OD2 ASP A 54 26.111 9.713 10.626 1.00 2.32 O
ATOM 433 N LYS A 55 24.137 5.623 8.232 1.00 9.98 N
ATOM 434 CA LYS A 55 24.842 4.334 8.073 1.00 10.82 C
ATOM 435 C LYS A 55 26.342 4.570 8.203 1.00 10.92 C
ATOM 436 O LYS A 55 26.962 3.991 9.149 1.00 12.36 O
ATOM 437 CB LYS A 55 24.518 3.493 6.877 1.00 11.82 C
ATOM 438 CG LYS A 55 23.134 2.873 6.725 1.00 12.86 C
ATOM 439 CD LYS A 55 22.164 3.828 6.030 1.00 16.04 C
ATOM 440 CE LYS A 55 20.691 3.543 6.214 1.00 15.30 C
ATOM 441 NZ LYS A 55 19.839 4.765 5.985 1.00 11.15 N
ATOM 442 N ASN A 56 26.921 5.438 7.386 1.00 9.95 N
ATOM 443 CA ASN A 56 28.377 5.617 7.587 1.00 10.52 C
ATOM 444 C ASN A 56 28.712 6.247 8.916 1.00 11.54 C
ATOM 445 O ASN A 56 29.549 5.680 9.630 1.00 13.61 O
ATOM 446 CB ASN A 56 29.144 6.132 6.449 1.00 8.92 C
ATOM 447 CG ASN A 56 28.623 7.187 5.552 1.00 8.59 C
ATOM 448 OD1 ASN A 56 27.751 7.990 5.907 1.00 9.29 O
ATOM 449 ND2 ASN A 56 29.220 7.194 4.358 1.00 8.87 N
ATOM 450 N GLY A 57 28.148 7.349 9.319 1.00 12.84 N
ATOM 451 CA GLY A 57 28.525 7.930 10.635 1.00 12.28 C
ATOM 452 C GLY A 57 29.343 9.209 10.376 1.00 12.20 C
ATOM 453 O GLY A 57 30.122 9.634 11.247 1.00 12.15 O
ATOM 454 N ASP A 58 29.062 9.741 9.186 1.00 10.47 N
ATOM 455 CA ASP A 58 29.666 10.968 8.701 1.00 8.80 C
ATOM 456 C ASP A 58 28.877 12.199 9.164 1.00 8.52 C
ATOM 457 O ASP A 58 29.204 13.328 8.729 1.00 9.53 O
ATOM 458 CB ASP A 58 29.832 10.874 7.210 1.00 7.68 C
ATOM 459 CG ASP A 58 28.572 10.741 6.426 1.00 9.74 C
ATOM 460 OD1 ASP A 58 27.465 10.542 6.962 1.00 10.79 O
ATOM 461 OD2 ASP A 58 28.723 10.848 5.171 1.00 10.62 O
ATOM 462 N GLY A 59 27.859 12.008 9.989 1.00 7.13 N
ATOM 463 CA GLY A 59 27.023 13.056 10.538 1.00 4.29 C
ATOM 464 C GLY A 59 25.961 13.609 9.613 1.00 3.45 C
ATOM 465 O GLY A 59 25.251 14.543 9.959 1.00 2.08 O
ATOM 466 N GLU A 60 25.830 13.007 8.445 1.00 4.32 N
ATOM 467 CA GLU A 60 24.849 13.403 7.439 1.00 3.94 C
ATOM 468 C GLU A 60 24.068 12.193 6.965 1.00 3.66 C
ATOM 469 O GLU A 60 24.515 11.051 7.032 1.00 4.00 O
ATOM 470 CB GLU A 60 25.571 14.011 6.251 1.00 5.73 C
ATOM 471 CG GLU A 60 26.798 14.825 6.761 1.00 6.98 C
ATOM 472 CD GLU A 60 26.548 16.290 6.657 1.00 7.20 C
ATOM 473 OE1 GLU A 60 26.087 17.049 7.424 1.00 5.68 O
ATOM 474 OE2 GLU A 60 26.870 16.648 5.492 1.00 13.20 O
ATOM 475 N VAL A 61 22.890 12.495 6.526 1.00 3.17 N
ATOM 476 CA VAL A 61 21.904 11.588 5.962 1.00 2.00 C
ATOM 477 C VAL A 61 21.786 12.096 4.505 1.00 2.00 C
ATOM 478 O VAL A 61 21.389 13.240 4.331 1.00 2.00 O
ATOM 479 CB VAL A 61 20.633 11.684 6.793 1.00 2.00 C
ATOM 480 CG1 VAL A 61 19.356 11.208 6.180 1.00 2.00 C
ATOM 481 CG2 VAL A 61 20.882 10.968 8.099 1.00 2.00 C
ATOM 482 N SER A 62 22.188 11.276 3.597 1.00 2.99 N
ATOM 483 CA SER A 62 22.104 11.469 2.147 1.00 5.50 C
ATOM 484 C SER A 62 20.697 10.990 1.741 1.00 6.72 C
ATOM 485 O SER A 62 19.974 10.469 2.621 1.00 7.54 O
ATOM 486 CB SER A 62 23.101 10.612 1.410 1.00 7.00 C
ATOM 487 OG SER A 62 22.905 9.253 1.810 1.00 10.68 O
ATOM 488 N PHE A 63 20.356 11.157 0.475 1.00 7.70 N
ATOM 489 CA PHE A 63 19.049 10.776 -0.045 1.00 7.20 C
ATOM 490 C PHE A 63 18.856 9.270 -0.023 1.00 8.31 C
ATOM 491 O PHE A 63 17.734 8.809 0.208 1.00 9.39 O
ATOM 492 CB PHE A 63 18.790 11.306 -1.484 1.00 7.63 C
ATOM 493 CG PHE A 63 17.348 11.010 -1.848 1.00 7.45 C
ATOM 494 CD1 PHE A 63 16.348 11.477 -0.969 1.00 4.82 C
ATOM 495 CD2 PHE A 63 17.024 10.275 -3.005 1.00 8.54 C
ATOM 496 CE1 PHE A 63 15.030 11.237 -1.259 1.00 4.51 C
ATOM 497 CE2 PHE A 63 15.671 10.012 -3.329 1.00 5.62 C
ATOM 498 CZ PHE A 63 14.708 10.510 -2.424 1.00 7.12 C
ATOM 499 N GLU A 64 19.910 8.542 -0.317 1.00 8.95 N
ATOM 500 CA GLU A 64 19.933 7.086 -0.327 1.00 10.05 C
ATOM 501 C GLU A 64 19.675 6.551 1.089 1.00 10.16 C
ATOM 502 O GLU A 64 18.924 5.550 1.185 1.00 11.14 O
ATOM 503 CB GLU A 64 21.281 6.514 -0.760 1.00 13.73 C
ATOM 504 CG GLU A 64 21.627 6.508 -2.219 1.00 20.23 C
ATOM 505 CD GLU A 64 20.596 5.911 -3.145 1.00 25.09 C
ATOM 506 OE1 GLU A 64 20.213 6.431 -4.192 1.00 27.37 O
ATOM 507 OE2 GLU A 64 20.167 4.815 -2.695 1.00 28.17 O
ATOM 508 N GLU A 65 20.297 7.165 2.105 1.00 8.10 N
ATOM 509 CA GLU A 65 20.119 6.791 3.503 1.00 6.21 C
ATOM 510 C GLU A 65 18.673 7.053 3.950 1.00 5.68 C
ATOM 511 O GLU A 65 18.058 6.306 4.704 1.00 5.25 O
ATOM 512 CB GLU A 65 21.040 7.565 4.447 1.00 4.90 C
ATOM 513 CG GLU A 65 22.454 7.074 4.556 1.00 3.90 C
ATOM 514 CD GLU A 65 23.528 7.820 5.242 1.00 2.00 C
ATOM 515 OE1 GLU A 65 24.499 7.364 5.835 1.00 2.52 O
ATOM 516 OE2 GLU A 65 23.419 9.022 5.050 1.00 2.83 O
ATOM 517 N PHE A 66 18.144 8.144 3.454 1.00 6.88 N
ATOM 518 CA PHE A 66 16.786 8.619 3.695 1.00 8.03 C
ATOM 519 C PHE A 66 15.788 7.590 3.204 1.00 8.98 C
ATOM 520 O PHE A 66 14.735 7.413 3.782 1.00 8.22 O
ATOM 521 CB PHE A 66 16.560 10.012 3.152 1.00 8.48 C
ATOM 522 CG PHE A 66 15.272 10.691 3.518 1.00 8.21 C
ATOM 523 CD1 PHE A 66 14.188 10.645 2.640 1.00 9.32 C
ATOM 524 CD2 PHE A 66 15.142 11.404 4.687 1.00 7.22 C
ATOM 525 CE1 PHE A 66 12.985 11.261 2.972 1.00 11.56 C
ATOM 526 CE2 PHE A 66 13.964 12.064 5.035 1.00 9.23 C
ATOM 527 CZ PHE A 66 12.861 11.973 4.168 1.00 9.86 C
ATOM 528 N GLN A 67 16.128 6.855 2.171 1.00 12.43 N
ATOM 529 CA GLN A 67 15.191 5.837 1.615 1.00 14.61 C
ATOM 530 C GLN A 67 14.664 4.968 2.723 1.00 14.66 C
ATOM 531 O GLN A 67 13.423 4.853 2.770 1.00 14.85 O
ATOM 532 CB GLN A 67 15.676 5.210 0.337 1.00 18.97 C
ATOM 533 CG GLN A 67 15.370 5.991 -0.937 1.00 23.34 C
ATOM 534 CD GLN A 67 16.517 6.034 -1.914 1.00 27.06 C
ATOM 535 OE1 GLN A 67 16.789 5.221 -2.810 1.00 30.25 O
ATOM 536 NE2 GLN A 67 17.324 7.086 -1.750 1.00 29.22 N
ATOM 537 N VAL A 68 15.351 4.409 3.665 1.00 15.49 N
ATOM 538 CA VAL A 68 14.706 3.638 4.764 1.00 17.53 C
ATOM 539 C VAL A 68 13.328 4.165 5.208 1.00 19.32 C
ATOM 540 O VAL A 68 12.263 3.472 5.151 1.00 20.31 O
ATOM 541 CB VAL A 68 15.747 3.670 5.913 1.00 17.80 C
ATOM 542 CG1 VAL A 68 15.156 3.515 7.304 1.00 17.53 C
ATOM 543 CG2 VAL A 68 16.879 2.702 5.665 1.00 18.34 C
ATOM 544 N LEU A 69 13.215 5.335 5.764 1.00 18.58 N
ATOM 545 CA LEU A 69 12.052 6.041 6.279 1.00 19.05 C
ATOM 546 C LEU A 69 10.890 6.105 5.298 1.00 20.97 C
ATOM 547 O LEU A 69 9.681 6.097 5.578 1.00 20.51 O
ATOM 548 CB LEU A 69 12.634 7.445 6.519 1.00 16.56 C
ATOM 549 CG LEU A 69 12.380 8.415 7.598 1.00 15.76 C
ATOM 550 CD1 LEU A 69 12.470 7.840 9.004 1.00 13.13 C
ATOM 551 CD2 LEU A 69 13.452 9.519 7.470 1.00 15.91 C
ATOM 552 N VAL A 70 11.275 6.307 4.036 1.00 23.54 N
ATOM 553 CA VAL A 70 10.290 6.479 2.948 1.00 25.20 C
ATOM 554 C VAL A 70 9.156 5.471 3.074 1.00 25.86 C
ATOM 555 O VAL A 70 8.014 5.796 2.723 1.00 27.64 O
ATOM 556 CB VAL A 70 10.914 6.449 1.529 1.00 24.08 C
ATOM 557 CG1 VAL A 70 9.810 6.357 0.460 1.00 23.70 C
ATOM 558 CG2 VAL A 70 11.814 7.632 1.241 1.00 23.41 C
ATOM 559 N LYS A 71 9.466 4.288 3.504 1.00 26.29 N
ATOM 560 CA LYS A 71 8.470 3.191 3.632 1.00 27.43 C
ATOM 561 C LYS A 71 7.381 3.587 4.596 1.00 28.15 C
ATOM 562 O LYS A 71 6.183 3.372 4.392 1.00 28.06 O
ATOM 563 CB LYS A 71 9.220 1.945 3.983 1.00 27.99 C
ATOM 564 CG LYS A 71 8.518 0.666 4.346 1.00 29.82 C
ATOM 565 CD LYS A 71 9.414 -0.110 5.350 1.00 29.97 C
ATOM 566 CE LYS A 71 8.571 -0.862 6.354 1.00 30.57 C
ATOM 567 NZ LYS A 71 7.506 -1.622 5.634 1.00 31.11 N
ATOM 568 N LYS A 72 7.807 4.238 5.669 1.00 29.23 N
ATOM 569 CA LYS A 72 6.896 4.744 6.716 1.00 29.61 C
ATOM 570 C LYS A 72 6.168 5.975 6.216 1.00 29.63 C
ATOM 571 O LYS A 72 4.992 6.183 6.524 1.00 28.57 O
ATOM 572 CB LYS A 72 7.730 4.994 7.970 1.00 31.11 C
ATOM 573 CG LYS A 72 8.787 3.874 8.123 1.00 32.67 C
ATOM 574 CD LYS A 72 9.850 4.298 9.109 1.00 35.21 C
ATOM 575 CE LYS A 72 10.169 3.224 10.121 1.00 37.66 C
ATOM 576 NZ LYS A 72 10.430 3.860 11.459 1.00 39.45 N
ATOM 577 N ILE A 73 6.873 6.788 5.443 1.00 30.73 N
ATOM 578 CA ILE A 73 6.347 8.025 4.842 1.00 31.98 C
ATOM 579 C ILE A 73 5.195 7.698 3.874 1.00 34.00 C
ATOM 580 O ILE A 73 4.077 8.267 3.912 1.00 33.15 O
ATOM 581 CB ILE A 73 7.515 8.790 4.141 1.00 29.71 C
ATOM 582 CG1 ILE A 73 8.499 9.383 5.178 1.00 28.10 C
ATOM 583 CG2 ILE A 73 7.056 9.868 3.139 1.00 31.13 C
ATOM 584 CD1 ILE A 73 9.943 9.448 4.595 1.00 25.68 C
ATOM 585 N SER A 74 5.495 6.750 2.999 1.00 35.66 N
ATOM 586 CA SER A 74 4.597 6.256 1.954 1.00 37.65 C
ATOM 587 C SER A 74 3.451 5.450 2.550 1.00 39.92 C
ATOM 588 O SER A 74 2.382 5.288 1.936 1.00 39.79 O
ATOM 589 CB SER A 74 5.358 5.411 0.935 1.00 36.43 C
ATOM 590 OG SER A 74 6.499 6.113 0.489 1.00 36.20 O
ATOM 591 N GLN A 75 3.694 4.974 3.754 1.00 42.72 N
ATOM 592 CA GLN A 75 2.756 4.149 4.526 1.00 45.45 C
ATOM 593 C GLN A 75 1.503 4.850 5.040 1.00 46.53 C
ATOM 594 O GLN A 75 0.404 4.226 4.937 1.00 46.51 O
ATOM 595 CB GLN A 75 3.512 3.511 5.725 1.00 48.13 C
ATOM 596 CG GLN A 75 2.803 2.245 6.206 1.00 51.09 C