HEADER HYDROLASE (O-GLYCOSYL) 12-OCT-84 1LZ1 TITLE REFINEMENT OF HUMAN LYSOZYME AT 1.5 ANGSTROMS RESOLUTION. TITLE 2 ANALYSIS OF NON-BONDED AND HYDROGEN-BOND INTERACTIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR P.J.ARTYMIUK,C.C.F.BLAKE REVDAT 3 24-FEB-09 1LZ1 1 VERSN REVDAT 2 01-APR-03 1LZ1 1 JRNL REVDAT 1 02-JAN-85 1LZ1 0 JRNL AUTH P.J.ARTYMIUK,C.C.BLAKE JRNL TITL REFINEMENT OF HUMAN LYSOZYME AT 1.5 A RESOLUTION JRNL TITL 2 ANALYSIS OF NON-BONDED AND HYDROGEN-BOND JRNL TITL 3 INTERACTIONS. JRNL REF J.MOL.BIOL. V. 152 737 1981 JRNL REFN ISSN 0022-2836 JRNL PMID 7334520 JRNL DOI 10.1016/0022-2836(81)90125-X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.C.F.BLAKE,W.C.A.PULFORD,P.J.ARTYMIUK REMARK 1 TITL X-RAY STUDIES OF WATER IN CRYSTALS OF LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 167 693 1983 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.E.P.GRACE,S.J.OATLEY, REMARK 1 AUTH 2 D.C.PHILLIPS,M.J.E.STERNBERG REMARK 1 TITL CRYSTALLOGRAPHIC STUDIES OF THE DYNAMIC PROPERTIES REMARK 1 TITL 2 OF LYSOZYME REMARK 1 REF NATURE V. 280 563 1979 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 3 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 32 1973 REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 1 REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN ISSN 0-912466-04-9 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 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 SET) : 0.177 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 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1029 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 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 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LZ1 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 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 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 (%): 36.79 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.95 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 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 28.56500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.44500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.49500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.44500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.56500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.49500 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CD ARG A 14 O GLY A 127 2565 2.11 REMARK 500 REMARK 500 REMARK: NULL 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 TRP A 64 NE1 TRP A 64 CE2 -0.091 REMARK 500 TRP A 109 NE1 TRP A 109 CE2 -0.092 REMARK 500 TRP A 112 NE1 TRP A 112 CE2 -0.094 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 4 OE1 - CD - OE2 ANGL. DEV. = 14.4 DEGREES REMARK 500 GLU A 4 CG - CD - OE1 ANGL. DEV. = -17.9 DEGREES REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 9.6 DEGREES REMARK 500 ASP A 18 CB - CG - OD2 ANGL. DEV. = -9.2 DEGREES REMARK 500 TYR A 20 CB - CG - CD1 ANGL. DEV. = -5.9 DEGREES REMARK 500 TYR A 20 CG - CD1 - CE1 ANGL. DEV. = -4.8 DEGREES REMARK 500 TRP A 34 CA - CB - CG ANGL. DEV. = -13.0 DEGREES REMARK 500 TYR A 38 CB - CG - CD1 ANGL. DEV. = -3.7 DEGREES REMARK 500 TYR A 45 CD1 - CG - CD2 ANGL. DEV. = 8.3 DEGREES REMARK 500 TYR A 45 CB - CG - CD1 ANGL. DEV. = -7.8 DEGREES REMARK 500 TYR A 45 CG - CD1 - CE1 ANGL. DEV. = -7.7 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 62 NH1 - CZ - NH2 ANGL. DEV. = -7.4 DEGREES REMARK 500 ARG A 62 NE - CZ - NH2 ANGL. DEV. = 6.1 DEGREES REMARK 500 LYS A 69 CA - CB - CG ANGL. DEV. = 17.2 DEGREES REMARK 500 LYS A 69 CB - CG - CD ANGL. DEV. = -16.1 DEGREES REMARK 500 SER A 82 N - CA - CB ANGL. DEV. = -10.0 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = -8.9 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = 5.2 DEGREES REMARK 500 ARG A 107 CD - NE - CZ ANGL. DEV. = 11.3 DEGREES REMARK 500 ARG A 107 NH1 - CZ - NH2 ANGL. DEV. = -11.3 DEGREES REMARK 500 ARG A 107 NE - CZ - NH2 ANGL. DEV. = 9.8 DEGREES REMARK 500 VAL A 110 CG1 - CB - CG2 ANGL. DEV. = 9.6 DEGREES REMARK 500 ARG A 113 NH1 - CZ - NH2 ANGL. DEV. = 8.7 DEGREES REMARK 500 ARG A 113 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -12.3 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = 8.2 DEGREES REMARK 500 ARG A 119 NE - CZ - NH1 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG A 119 NE - CZ - NH2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TYR A 124 CB - CG - CD2 ANGL. DEV. = 4.5 DEGREES REMARK 500 TYR A 124 CB - CG - CD1 ANGL. DEV. = -4.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 116 -40.85 -131.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 14 0.12 SIDE_CHAIN REMARK 500 ARG A 107 0.25 SIDE_CHAIN REMARK 500 ARG A 113 0.16 SIDE_CHAIN REMARK 500 ARG A 115 0.10 SIDE_CHAIN REMARK 500 ARG A 122 0.17 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: 51 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: 52 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 999 REMARK 999 SEQUENCE REMARK 999 REMARK 999 FOR PURPOSES OF COMPARISON WITH HEN EGG-WHITE LYSOZYME REMARK 999 (HEWL) - HUMAN LYSOZYME HAS AN INSERTION OF A GLYCINE REMARK 999 BETWEEN HEWL RESIDUES 48 AND 49. THIS INSERTION IS REMARK 999 LABELLED GLY 49 AND ALL SUBSEQUENT RESIDUE NUMBERS ARE REMARK 999 HIGHER BY 1 THAN IN HEWL. DBREF 1LZ1 A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL HELIX 1 A ARG A 5 ARG A 14 1SEE J.MOL.BIOL.152 P737 10 HELIX 2 B LEU A 25 GLU A 35 1SEE J.MOL.BIOL.152 P737 11 HELIX 3 E SER A 80 LEU A 85 5SEE J.MOL.BIOL.152 P737 6 HELIX 4 C ALA A 90 VAL A 99 1SEE J.MOL.BIOL.152 P737 10 HELIX 5 D VAL A 110 CYS A 116 1SEE J.MOL.BIOL.152 P737 7 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 TYR A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 51 GLY A 55 -1 N GLY A 55 O ALA A 42 SHEET 3 B 3 ILE A 59 SER A 61 -1 N SER A 61 O THR A 52 SSBOND 1 CYS A 6 CYS A 128 1555 1555 2.07 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.06 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.08 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.04 SITE 1 51 1 GLU A 35 SITE 1 52 1 ASP A 53 CRYST1 57.130 60.990 32.890 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 0.017504 0.000000 0.000000 0.00000 ORIGX2 0.000000 0.016396 0.000000 0.00000 ORIGX3 0.000000 0.000000 0.030404 0.00000 SCALE1 0.017504 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016396 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030404 0.00000 ATOM 1 N LYS A 1 1.395 19.741 22.120 1.00 13.61 N ATOM 2 CA LYS A 1 1.933 20.601 21.051 1.00 13.31 C ATOM 3 C LYS A 1 3.172 19.943 20.432 1.00 14.70 C ATOM 4 O LYS A 1 3.901 19.242 21.168 1.00 15.04 O ATOM 5 CB LYS A 1 2.255 21.919 21.722 1.00 18.86 C ATOM 6 CG LYS A 1 3.601 22.558 21.452 1.00 36.62 C ATOM 7 CD LYS A 1 3.611 23.957 22.071 1.00 19.15 C ATOM 8 CE LYS A 1 4.442 24.852 21.169 1.00 22.80 C ATOM 9 NZ LYS A 1 4.612 26.131 21.900 1.00 32.40 N ATOM 10 N VAL A 2 3.359 20.160 19.138 1.00 15.15 N ATOM 11 CA VAL A 2 4.638 19.766 18.500 1.00 17.15 C ATOM 12 C VAL A 2 5.414 21.073 18.300 1.00 16.93 C ATOM 13 O VAL A 2 5.028 21.972 17.536 1.00 17.54 O ATOM 14 CB VAL A 2 4.453 19.040 17.173 1.00 22.14 C ATOM 15 CG1 VAL A 2 5.753 18.657 16.545 1.00 18.83 C ATOM 16 CG2 VAL A 2 3.432 17.885 17.342 1.00 16.66 C ATOM 17 N PHE A 3 6.530 21.204 19.039 1.00 12.95 N ATOM 18 CA PHE A 3 7.389 22.369 18.879 1.00 13.96 C ATOM 19 C PHE A 3 8.111 22.337 17.546 1.00 13.08 C ATOM 20 O PHE A 3 8.510 21.276 17.017 1.00 14.97 O ATOM 21 CB PHE A 3 8.508 22.351 19.907 1.00 11.67 C ATOM 22 CG PHE A 3 8.057 22.866 21.254 1.00 10.74 C ATOM 23 CD1 PHE A 3 8.316 24.154 21.630 1.00 12.38 C ATOM 24 CD2 PHE A 3 7.302 22.052 22.088 1.00 16.03 C ATOM 25 CE1 PHE A 3 7.884 24.616 22.900 1.00 13.03 C ATOM 26 CE2 PHE A 3 6.854 22.577 23.355 1.00 16.49 C ATOM 27 CZ PHE A 3 7.176 23.840 23.762 1.00 14.09 C ATOM 28 N GLU A 4 8.378 23.548 17.076 1.00 12.56 N ATOM 29 CA GLU A 4 9.393 23.654 16.018 1.00 14.09 C ATOM 30 C GLU A 4 10.777 23.661 16.641 1.00 11.50 C ATOM 31 O GLU A 4 10.892 24.090 17.810 1.00 14.24 O ATOM 32 CB GLU A 4 9.244 24.965 15.198 1.00 35.30 C ATOM 33 CG GLU A 4 7.835 25.412 14.765 1.00 71.50 C ATOM 34 CD GLU A 4 7.631 24.964 13.264 1.00 94.85 C ATOM 35 OE1 GLU A 4 8.204 25.884 12.678 1.00 76.94 O ATOM 36 OE2 GLU A 4 7.053 23.956 12.978 1.00107.70 O ATOM 37 N ARG A 5 11.791 23.259 15.874 1.00 11.90 N ATOM 38 CA ARG A 5 13.107 23.095 16.499 1.00 11.62 C ATOM 39 C ARG A 5 13.640 24.352 17.211 1.00 11.21 C ATOM 40 O ARG A 5 13.994 24.234 18.400 1.00 10.52 O ATOM 41 CB ARG A 5 14.048 22.698 15.339 1.00 10.06 C ATOM 42 CG ARG A 5 15.497 22.494 15.829 1.00 13.96 C ATOM 43 CD ARG A 5 16.392 22.074 14.673 1.00 16.29 C ATOM 44 NE ARG A 5 16.541 23.079 13.599 1.00 24.29 N ATOM 45 CZ ARG A 5 17.530 23.993 13.418 1.00 20.36 C ATOM 46 NH1 ARG A 5 17.577 24.823 12.357 1.00 22.68 N ATOM 47 NH2 ARG A 5 18.423 24.074 14.385 1.00 18.85 N ATOM 48 N CYS A 6 13.647 25.513 16.547 1.00 10.98 N ATOM 49 CA CYS A 6 14.261 26.668 17.239 1.00 8.80 C ATOM 50 C CYS A 6 13.318 27.269 18.284 1.00 9.86 C ATOM 51 O CYS A 6 13.876 27.835 19.273 1.00 11.33 O ATOM 52 CB CYS A 6 14.612 27.760 16.233 1.00 13.51 C ATOM 53 SG CYS A 6 16.011 27.214 15.134 1.00 15.27 S ATOM 54 N GLU A 7 12.004 27.083 18.123 1.00 11.10 N ATOM 55 CA GLU A 7 11.141 27.470 19.230 1.00 8.35 C ATOM 56 C GLU A 7 11.496 26.684 20.482 1.00 10.19 C ATOM 57 O GLU A 7 11.523 27.278 21.587 1.00 10.03 O ATOM 58 CB GLU A 7 9.724 27.177 18.673 1.00 15.95 C ATOM 59 CG GLU A 7 8.665 27.454 19.750 1.00 19.19 C ATOM 60 CD GLU A 7 7.301 26.797 19.288 1.00 39.29 C ATOM 61 OE1 GLU A 7 7.228 25.879 18.471 1.00 21.01 O ATOM 62 OE2 GLU A 7 6.436 27.338 19.910 1.00 25.60 O ATOM 63 N LEU A 8 11.683 25.357 20.307 1.00 10.58 N ATOM 64 CA LEU A 8 12.028 24.575 21.514 1.00 8.60 C ATOM 65 C LEU A 8 13.355 25.056 22.079 1.00 7.65 C ATOM 66 O LEU A 8 13.553 25.141 23.300 1.00 9.84 O ATOM 67 CB LEU A 8 12.016 23.078 21.073 1.00 8.05 C ATOM 68 CG LEU A 8 12.322 22.219 22.299 1.00 10.11 C ATOM 69 CD1 LEU A 8 11.355 22.341 23.456 1.00 11.47 C ATOM 70 CD2 LEU A 8 12.407 20.762 21.834 1.00 12.84 C ATOM 71 N ALA A 9 14.316 25.310 21.205 1.00 8.23 N ATOM 72 CA ALA A 9 15.670 25.648 21.706 1.00 8.64 C ATOM 73 C ALA A 9 15.637 26.928 22.560 1.00 9.61 C ATOM 74 O ALA A 9 16.259 27.028 23.648 1.00 10.69 O ATOM 75 CB ALA A 9 16.650 25.802 20.522 1.00 11.53 C ATOM 76 N ARG A 10 14.906 27.930 22.045 1.00 11.48 N ATOM 77 CA ARG A 10 14.769 29.186 22.837 1.00 11.76 C ATOM 78 C ARG A 10 13.961 28.968 24.104 1.00 10.49 C ATOM 79 O ARG A 10 14.358 29.562 25.137 1.00 10.92 O ATOM 80 CB ARG A 10 14.073 30.255 21.954 1.00 14.41 C ATOM 81 CG ARG A 10 15.047 30.752 20.848 1.00 12.80 C ATOM 82 CD ARG A 10 14.440 32.006 20.206 1.00 18.47 C ATOM 83 NE ARG A 10 13.182 31.664 19.515 1.00 15.85 N ATOM 84 CZ ARG A 10 13.184 31.255 18.225 1.00 13.35 C ATOM 85 NH1 ARG A 10 12.025 30.916 17.638 1.00 19.75 N ATOM 86 NH2 ARG A 10 14.322 31.040 17.577 1.00 18.75 N ATOM 87 N THR A 11 12.944 28.083 24.065 1.00 9.41 N ATOM 88 CA THR A 11 12.170 27.822 25.293 1.00 8.66 C ATOM 89 C THR A 11 13.083 27.130 26.300 1.00 10.50 C ATOM 90 O THR A 11 13.014 27.516 27.485 1.00 13.36 O ATOM 91 CB THR A 11 10.986 26.931 24.904 1.00 13.26 C ATOM 92 OG1 THR A 11 10.170 27.614 23.936 1.00 13.87 O ATOM 93 CG2 THR A 11 10.133 26.552 26.115 1.00 12.92 C ATOM 94 N LEU A 12 13.821 26.098 25.883 1.00 9.27 N ATOM 95 CA LEU A 12 14.716 25.432 26.848 1.00 7.61 C ATOM 96 C LEU A 12 15.781 26.402 27.389 1.00 9.57 C ATOM 97 O LEU A 12 16.228 26.317 28.563 1.00 11.13 O ATOM 98 CB LEU A 12 15.463 24.242 26.202 1.00 9.48 C ATOM 99 CG LEU A 12 14.521 23.105 25.793 1.00 11.34 C ATOM 100 CD1 LEU A 12 15.303 22.001 25.095 1.00 12.53 C ATOM 101 CD2 LEU A 12 13.816 22.615 27.032 1.00 14.79 C ATOM 102 N LYS A 13 16.326 27.321 26.553 1.00 9.53 N ATOM 103 CA LYS A 13 17.306 28.291 27.049 1.00 9.88 C ATOM 104 C LYS A 13 16.710 29.180 28.139 1.00 13.69 C ATOM 105 O LYS A 13 17.283 29.373 29.251 1.00 11.86 O ATOM 106 CB LYS A 13 17.682 29.233 25.918 1.00 13.05 C ATOM 107 CG LYS A 13 18.809 30.205 26.230 1.00 25.73 C ATOM 108 CD LYS A 13 19.645 30.847 25.133 1.00100.47 C ATOM 109 CE LYS A 13 21.146 30.765 25.367 1.00 72.55 C ATOM 110 NZ LYS A 13 21.637 31.299 26.659 1.00 74.72 N ATOM 111 N ARG A 14 15.475 29.650 27.884 1.00 10.43 N ATOM 112 CA ARG A 14 14.875 30.543 28.878 1.00 11.34 C ATOM 113 C ARG A 14 14.560 29.811 30.186 1.00 12.50 C ATOM 114 O ARG A 14 14.494 30.446 31.264 1.00 12.39 O ATOM 115 CB ARG A 14 13.542 31.182 28.422 1.00 13.46 C ATOM 116 CG ARG A 14 12.321 30.634 29.185 1.00103.25 C ATOM 117 CD ARG A 14 11.238 31.679 28.965 1.00102.81 C ATOM 118 NE ARG A 14 11.848 32.592 27.981 1.00 85.07 N ATOM 119 CZ ARG A 14 11.667 32.349 26.671 1.00 27.28 C ATOM 120 NH1 ARG A 14 10.736 31.586 26.056 1.00 40.93 N ATOM 121 NH2 ARG A 14 12.572 32.841 25.838 1.00 94.98 N ATOM 122 N LEU A 15 14.400 28.479 30.093 1.00 9.06 N ATOM 123 CA LEU A 15 14.034 27.646 31.267 1.00 11.00 C ATOM 124 C LEU A 15 15.330 27.161 31.941 1.00 11.34 C ATOM 125 O LEU A 15 15.288 26.437 32.936 1.00 13.84 O ATOM 126 CB LEU A 15 13.123 26.424 30.988 1.00 13.48 C ATOM 127 CG LEU A 15 11.740 26.880 30.517 1.00 16.49 C ATOM 128 CD1 LEU A 15 10.891 25.754 29.917 1.00 15.47 C ATOM 129 CD2 LEU A 15 11.065 27.508 31.712 1.00 15.74 C ATOM 130 N GLY A 16 16.500 27.607 31.522 1.00 10.54 N ATOM 131 CA GLY A 16 17.743 27.406 32.276 1.00 12.93 C ATOM 132 C GLY A 16 18.414 26.067 31.945 1.00 13.26 C ATOM 133 O GLY A 16 19.243 25.635 32.781 1.00 14.22 O ATOM 134 N MET A 17 18.147 25.504 30.758 1.00 10.01 N ATOM 135 CA MET A 17 18.720 24.179 30.478 1.00 9.08 C ATOM 136 C MET A 17 20.109 24.309 29.872 1.00 13.12 C ATOM 137 O MET A 17 20.732 23.210 29.871 1.00 14.60 O ATOM 138 CB MET A 17 17.738 23.431 29.539 1.00 9.98 C ATOM 139 CG MET A 17 16.463 23.133 30.314 1.00 14.43 C ATOM 140 SD MET A 17 16.755 21.767 31.414 1.00 17.78 S ATOM 141 CE MET A 17 16.046 20.490 30.410 1.00 21.22 C ATOM 142 N ASP A 18 20.492 25.450 29.317 1.00 11.55 N ATOM 143 CA ASP A 18 21.821 25.440 28.644 1.00 14.29 C ATOM 144 C ASP A 18 22.998 25.291 29.612 1.00 15.47 C ATOM 145 O ASP A 18 23.141 26.201 30.455 1.00 15.15 O ATOM 146 CB ASP A 18 21.955 26.731 27.800 1.00 12.84 C ATOM 147 CG ASP A 18 23.144 26.529 26.899 1.00 37.62 C ATOM 148 OD1 ASP A 18 23.664 25.473 26.565 1.00 19.59 O ATOM 149 OD2 ASP A 18 23.479 27.594 26.444 1.00 26.23 O ATOM 150 N GLY A 19 23.686 24.134 29.667 1.00 12.24 N ATOM 151 CA GLY A 19 24.804 23.943 30.557 1.00 13.08 C ATOM 152 C GLY A 19 24.344 23.421 31.910 1.00 16.30 C ATOM 153 O GLY A 19 25.122 23.426 32.898 1.00 14.11 O ATOM 154 N TYR A 20 23.053 23.082 32.091 1.00 11.37 N ATOM 155 CA TYR A 20 22.617 22.554 33.388 1.00 9.73 C ATOM 156 C TYR A 20 23.328 21.223 33.645 1.00 11.06 C ATOM 157 O TYR A 20 23.188 20.297 32.845 1.00 11.67 O ATOM 158 CB TYR A 20 21.072 22.356 33.361 1.00 10.10 C ATOM 159 CG TYR A 20 20.563 21.929 34.715 1.00 12.14 C ATOM 160 CD1 TYR A 20 20.310 22.966 35.604 1.00 15.90 C ATOM 161 CD2 TYR A 20 20.419 20.627 35.088 1.00 11.73 C ATOM 162 CE1 TYR A 20 19.832 22.583 36.934 1.00 20.86 C ATOM 163 CE2 TYR A 20 19.936 20.265 36.369 1.00 13.13 C ATOM 164 CZ TYR A 20 19.687 21.279 37.276 1.00 15.94 C ATOM 165 OH TYR A 20 19.271 21.048 38.574 1.00 16.92 O ATOM 166 N ARG A 21 23.976 21.167 34.832 1.00 14.78 N ATOM 167 CA ARG A 21 24.808 20.008 35.238 1.00 16.47 C ATOM 168 C ARG A 21 25.705 19.624 34.061 1.00 11.48 C ATOM 169 O ARG A 21 26.052 18.452 33.861 1.00 14.44 O ATOM 170 CB ARG A 21 23.944 18.830 35.752 1.00 24.32 C ATOM 171 CG ARG A 21 23.210 19.398 36.985 1.00 43.27 C ATOM 172 CD ARG A 21 24.212 19.433 38.126 1.00 54.04 C ATOM 173 NE ARG A 21 24.383 17.999 38.430 1.00 71.78 N ATOM 174 CZ ARG A 21 25.390 17.325 39.032 1.00 78.58 C ATOM 175 NH1 ARG A 21 25.261 15.992 39.153 1.00 52.48 N ATOM 176 NH2 ARG A 21 26.457 17.965 39.488 1.00 73.39 N ATOM 177 N GLY A 22 26.220 20.641 33.347 1.00 10.09 N ATOM 178 CA GLY A 22 27.243 20.412 32.340 1.00 11.59 C ATOM 179 C GLY A 22 26.757 19.972 30.957 1.00 10.67 C ATOM 180 O GLY A 22 27.510 19.689 30.005 1.00 10.72 O ATOM 181 N ILE A 23 25.417 19.985 30.800 1.00 9.74 N ATOM 182 CA ILE A 23 24.820 19.481 29.569 1.00 8.57 C ATOM 183 C ILE A 23 24.393 20.649 28.696 1.00 10.85 C ATOM 184 O ILE A 23 23.543 21.526 29.005 1.00 11.82 O ATOM 185 CB ILE A 23 23.524 18.700 29.889 1.00 11.00 C ATOM 186 CG1 ILE A 23 23.867 17.524 30.843 1.00 11.36 C ATOM 187 CG2 ILE A 23 22.799 18.176 28.649 1.00 11.26 C ATOM 188 CD1 ILE A 23 22.617 16.913 31.537 1.00 12.16 C ATOM 189 N SER A 24 24.947 20.679 27.492 1.00 9.51 N ATOM 190 CA SER A 24 24.698 21.791 26.548 1.00 11.08 C ATOM 191 C SER A 24 23.250 21.718 26.060 1.00 12.43 C ATOM 192 O SER A 24 22.607 20.632 25.943 1.00 10.54 O ATOM 193 CB SER A 24 25.564 21.730 25.307 1.00 11.51 C ATOM 194 OG SER A 24 25.371 20.538 24.564 1.00 11.02 O ATOM 195 N LEU A 25 22.661 22.845 25.627 1.00 12.37 N ATOM 196 CA LEU A 25 21.356 22.886 24.940 1.00 8.70 C ATOM 197 C LEU A 25 21.270 21.931 23.741 1.00 9.63 C ATOM 198 O LEU A 25 20.235 21.217 23.612 1.00 12.40 O ATOM 199 CB LEU A 25 21.171 24.357 24.488 1.00 13.24 C ATOM 200 CG LEU A 25 19.755 24.724 24.141 1.00 23.91 C ATOM 201 CD1 LEU A 25 18.999 24.647 25.451 1.00 27.07 C ATOM 202 CD2 LEU A 25 19.676 26.100 23.515 1.00 20.42 C ATOM 203 N ALA A 26 22.353 21.762 22.941 1.00 9.42 N ATOM 204 CA ALA A 26 22.265 20.881 21.777 1.00 9.92 C ATOM 205 C ALA A 26 22.070 19.434 22.229 1.00 9.21 C ATOM 206 O ALA A 26 21.346 18.667 21.538 1.00 10.51 O ATOM 207 CB ALA A 26 23.545 20.941 20.927 1.00 15.70 C ATOM 208 N ASN A 27 22.615 19.050 23.406 1.00 9.33 N ATOM 209 CA ASN A 27 22.382 17.655 23.877 1.00 10.44 C ATOM 210 C ASN A 27 20.910 17.519 24.285 1.00 11.58 C ATOM 211 O ASN A 27 20.343 16.439 24.098 1.00 12.10 O ATOM 212 CB ASN A 27 23.375 17.358 25.034 1.00 10.24 C ATOM 213 CG ASN A 27 24.643 16.769 24.451 1.00 13.95 C ATOM 214 OD1 ASN A 27 24.659 15.721 23.812 1.00 9.21 O ATOM 215 ND2 ASN A 27 25.715 17.604 24.698 1.00 14.56 N ATOM 216 N TRP A 28 20.330 18.481 24.976 1.00 9.52 N ATOM 217 CA TRP A 28 18.913 18.388 25.390 1.00 10.50 C ATOM 218 C TRP A 28 18.069 18.303 24.123 1.00 8.37 C ATOM 219 O TRP A 28 17.028 17.598 24.108 1.00 8.15 O ATOM 220 CB TRP A 28 18.494 19.627 26.168 1.00 10.42 C ATOM 221 CG TRP A 28 19.116 19.672 27.611 1.00 10.51 C ATOM 222 CD1 TRP A 28 19.950 20.634 28.107 1.00 10.25 C ATOM 223 CD2 TRP A 28 18.764 18.811 28.656 1.00 9.14 C ATOM 224 NE1 TRP A 28 20.165 20.292 29.482 1.00 11.75 N ATOM 225 CE2 TRP A 28 19.489 19.231 29.823 1.00 9.83 C ATOM 226 CE3 TRP A 28 17.932 17.717 28.706 1.00 10.72 C ATOM 227 CZ2 TRP A 28 19.341 18.634 31.082 1.00 11.40 C ATOM 228 CZ3 TRP A 28 17.778 17.055 29.960 1.00 12.42 C ATOM 229 CH2 TRP A 28 18.487 17.567 31.065 1.00 13.43 C ATOM 230 N MET A 29 18.372 19.089 23.098 1.00 8.73 N ATOM 231 CA MET A 29 17.595 19.088 21.845 1.00 7.74 C ATOM 232 C MET A 29 17.698 17.707 21.187 1.00 13.28 C ATOM 233 O MET A 29 16.669 17.163 20.695 1.00 11.61 O ATOM 234 CB MET A 29 18.099 20.184 20.889 1.00 11.06 C ATOM 235 CG MET A 29 17.818 21.604 21.321 1.00 9.95 C ATOM 236 SD MET A 29 16.049 21.931 21.230 1.00 13.37 S ATOM 237 CE MET A 29 15.799 21.767 19.484 1.00 12.97 C ATOM 238 N CYS A 30 18.912 17.131 21.175 1.00 8.92 N ATOM 239 CA CYS A 30 19.017 15.799 20.555 1.00 8.57 C ATOM 240 C CYS A 30 18.161 14.834 21.362 1.00 10.10 C ATOM 241 O CYS A 30 17.495 13.956 20.740 1.00 12.61 O ATOM 242 CB CYS A 30 20.510 15.514 20.603 1.00 12.03 C ATOM 243 SG CYS A 30 20.869 13.892 19.717 1.00 13.50 S ATOM 244 N LEU A 31 18.127 14.943 22.682 1.00 9.19 N ATOM 245 CA LEU A 31 17.374 13.994 23.504 1.00 8.87 C ATOM 246 C LEU A 31 15.899 14.134 23.148 1.00 12.28 C ATOM 247 O LEU A 31 15.198 13.166 22.826 1.00 13.48 O ATOM 248 CB LEU A 31 17.621 14.300 24.995 1.00 12.58 C ATOM 249 CG LEU A 31 16.733 13.502 25.949 1.00 15.66 C ATOM 250 CD1 LEU A 31 17.153 12.030 26.038 1.00 17.09 C ATOM 251 CD2 LEU A 31 16.764 14.098 27.342 1.00 15.45 C ATOM 252 N ALA A 32 15.358 15.370 23.168 1.00 10.25 N ATOM 253 CA ALA A 32 13.934 15.574 22.851 1.00 9.85 C ATOM 254 C ALA A 32 13.616 15.108 21.435 1.00 13.10 C ATOM 255 O ALA A 32 12.530 14.557 21.142 1.00 13.81 O ATOM 256 CB ALA A 32 13.623 17.070 22.967 1.00 10.66 C ATOM 257 N LYS A 33 14.479 15.348 20.451 1.00 8.00 N ATOM 258 CA LYS A 33 14.178 14.932 19.068 1.00 11.67 C ATOM 259 C LYS A 33 13.936 13.412 19.031 1.00 15.59 C ATOM 260 O LYS A 33 12.914 12.991 18.397 1.00 16.19 O ATOM 261 CB LYS A 33 15.354 15.394 18.204 1.00 13.14 C ATOM 262 CG LYS A 33 15.248 14.817 16.797 1.00 20.48 C ATOM 263 CD LYS A 33 14.828 15.553 15.544 1.00 51.89 C ATOM 264 CE LYS A 33 14.990 14.726 14.268 1.00 29.95 C ATOM 265 NZ LYS A 33 14.446 13.368 14.513 1.00 45.40 N ATOM 266 N TRP A 34 14.910 12.681 19.587 1.00 12.62 N ATOM 267 CA TRP A 34 14.812 11.223 19.366 1.00 12.08 C ATOM 268 C TRP A 34 13.808 10.646 20.354 1.00 15.41 C ATOM 269 O TRP A 34 13.194 9.576 20.098 1.00 20.90 O ATOM 270 CB TRP A 34 16.180 10.541 19.568 1.00 13.55 C ATOM 271 CG TRP A 34 16.948 11.057 18.312 1.00 11.34 C ATOM 272 CD1 TRP A 34 17.968 11.943 18.298 1.00 12.99 C ATOM 273 CD2 TRP A 34 16.699 10.728 16.968 1.00 16.61 C ATOM 274 NE1 TRP A 34 18.379 12.199 16.948 1.00 17.80 N ATOM 275 CE2 TRP A 34 17.649 11.450 16.179 1.00 22.32 C ATOM 276 CE3 TRP A 34 15.830 9.804 16.438 1.00 19.91 C ATOM 277 CZ2 TRP A 34 17.626 11.348 14.783 1.00 49.24 C ATOM 278 CZ3 TRP A 34 15.835 9.700 15.033 1.00 32.68 C ATOM 279 CH2 TRP A 34 16.710 10.464 14.277 1.00 30.67 C ATOM 280 N GLU A 35 13.526 11.283 21.489 1.00 10.26 N ATOM 281 CA GLU A 35 12.529 10.678 22.385 1.00 12.25 C ATOM 282 C GLU A 35 11.087 10.839 21.897 1.00 13.80 C ATOM 283 O GLU A 35 10.322 9.868 22.015 1.00 14.81 O ATOM 284 CB GLU A 35 12.606 11.313 23.801 1.00 11.61 C ATOM 285 CG GLU A 35 13.766 10.942 24.744 1.00 11.29 C ATOM 286 CD GLU A 35 13.905 9.408 25.077 1.00 24.95 C ATOM 287 OE1 GLU A 35 12.937 8.700 24.824 1.00 17.41 O ATOM 288 OE2 GLU A 35 14.947 8.972 25.456 1.00 22.93 O ATOM 289 N SER A 36 10.759 12.055 21.458 1.00 12.33 N ATOM 290 CA SER A 36 9.333 12.354 21.192 1.00 11.63 C ATOM 291 C SER A 36 9.135 13.032 19.846 1.00 14.85 C ATOM 292 O SER A 36 7.968 13.358 19.499 1.00 14.76 O ATOM 293 CB SER A 36 8.844 13.287 22.267 1.00 9.43 C ATOM 294 OG SER A 36 9.484 14.555 22.212 1.00 11.88 O ATOM 295 N GLY A 37 10.172 13.415 19.098 1.00 13.30 N ATOM 296 CA GLY A 37 9.951 14.264 17.909 1.00 14.73 C ATOM 297 C GLY A 37 9.476 15.649 18.324 1.00 13.15 C ATOM 298 O GLY A 37 8.765 16.320 17.547 1.00 17.83 O ATOM 299 N TYR A 38 9.813 16.107 19.532 1.00 10.05 N ATOM 300 CA TYR A 38 9.430 17.416 20.065 1.00 11.45 C ATOM 301 C TYR A 38 7.911 17.465 20.316 1.00 17.23 C ATOM 302 O TYR A 38 7.381 18.582 20.262 1.00 14.50 O ATOM 303 CB TYR A 38 9.844 18.600 19.147 1.00 11.33 C ATOM 304 CG TYR A 38 11.283 18.601 18.595 1.00 9.76 C ATOM 305 CD1 TYR A 38 11.455 18.939 17.233 1.00 14.66 C ATOM 306 CD2 TYR A 38 12.345 18.365 19.433 1.00 12.29 C ATOM 307 CE1 TYR A 38 12.830 19.034 16.748 1.00 15.82 C ATOM 308 CE2 TYR A 38 13.693 18.440 18.964 1.00 12.96 C ATOM 309 CZ TYR A 38 13.855 18.817 17.621 1.00 13.75 C ATOM 310 OH TYR A 38 15.193 18.850 17.179 1.00 13.22 O ATOM 311 N ASN A 39 7.287 16.344 20.666 1.00 13.11 N ATOM 312 CA ASN A 39 5.826 16.330 20.859 1.00 11.31 C ATOM 313 C ASN A 39 5.577 16.173 22.345 1.00 12.60 C ATOM 314 O ASN A 39 5.923 15.105 22.889 1.00 11.65 O ATOM 315 CB ASN A 39 5.364 15.116 20.056 1.00 13.41 C ATOM 316 CG ASN A 39 3.871 14.939 20.240 1.00 15.80 C ATOM 317 OD1 ASN A 39 3.035 15.637 20.785 1.00 11.74 O ATOM 318 ND2 ASN A 39 3.444 13.808 19.549 1.00 17.46 N ATOM 319 N THR A 40 4.868 17.118 22.979 1.00 10.02 N ATOM 320 CA THR A 40 4.576 17.060 24.419 1.00 9.82 C ATOM 321 C THR A 40 3.541 15.958 24.737 1.00 12.34 C ATOM 322 O THR A 40 3.451 15.696 25.957 1.00 16.51 O ATOM 323 CB THR A 40 4.071 18.423 24.940 1.00 12.49 C ATOM 324 OG1 THR A 40 2.824 18.745 24.312 1.00 13.74 O ATOM 325 CG2 THR A 40 5.022 19.545 24.622 1.00 11.62 C ATOM 326 N ARG A 41 2.750 15.526 23.753 1.00 10.83 N ATOM 327 CA ARG A 41 1.699 14.558 24.087 1.00 17.71 C ATOM 328 C ARG A 41 2.150 13.112 23.889 1.00 16.43 C ATOM 329 O ARG A 41 1.312 12.188 24.027 1.00 18.70 O ATOM 330 CB ARG A 41 0.482 14.831 23.153 1.00 19.02 C ATOM 331 CG ARG A 41 -0.242 16.048 23.767 1.00 34.16 C ATOM 332 CD ARG A 41 -1.665 16.357 23.339 1.00101.61 C ATOM 333 NE ARG A 41 -1.676 17.412 22.311 1.00 77.76 N ATOM 334 CZ ARG A 41 -2.098 18.694 22.396 1.00 98.90 C ATOM 335 NH1 ARG A 41 -2.689 19.077 23.540 1.00 91.64 N ATOM 336 NH2 ARG A 41 -1.917 19.507 21.367 1.00 82.04 N ATOM 337 N ALA A 42 3.405 12.896 23.495 1.00 14.49 N ATOM 338 CA ALA A 42 3.892 11.524 23.261 1.00 12.95 C ATOM 339 C ALA A 42 3.758 10.690 24.540 1.00 16.09 C ATOM 340 O ALA A 42 4.110 11.122 25.655 1.00 13.31 O ATOM 341 CB ALA A 42 5.362 11.611 22.830 1.00 14.90 C ATOM 342 N THR A 43 3.285 9.434 24.336 1.00 14.74 N ATOM 343 CA THR A 43 3.282 8.476 25.471 1.00 13.73 C ATOM 344 C THR A 43 3.687 7.150 24.813 1.00 17.33 C ATOM 345 O THR A 43 3.396 6.787 23.641 1.00 20.00 O ATOM 346 CB THR A 43 1.956 8.367 26.253 1.00 27.51 C ATOM 347 OG1 THR A 43 1.061 7.834 25.290 1.00 30.19 O ATOM 348 CG2 THR A 43 1.389 9.680 26.710 1.00 20.21 C ATOM 349 N ASN A 44 4.377 6.409 25.683 1.00 16.18 N ATOM 350 CA ASN A 44 4.745 5.048 25.225 1.00 19.43 C ATOM 351 C ASN A 44 4.561 4.095 26.401 1.00 14.63 C ATOM 352 O ASN A 44 5.209 4.263 27.443 1.00 18.66 O ATOM 353 CB ASN A 44 6.197 5.075 24.678 1.00 23.30 C ATOM 354 CG ASN A 44 6.171 5.488 23.222 1.00105.69 C ATOM 355 OD1 ASN A 44 6.682 6.526 22.820 1.00 66.59 O ATOM 356 ND2 ASN A 44 5.471 4.569 22.439 1.00 64.21 N ATOM 357 N TYR A 45 3.752 3.049 26.196 1.00 15.61 N ATOM 358 CA TYR A 45 3.523 2.043 27.258 1.00 21.85 C ATOM 359 C TYR A 45 4.538 0.924 27.038 1.00 19.48 C ATOM 360 O TYR A 45 4.821 0.375 25.956 1.00 25.27 O ATOM 361 CB TYR A 45 2.041 1.577 27.223 1.00 17.80 C ATOM 362 CG TYR A 45 1.770 0.514 28.310 1.00 17.41 C ATOM 363 CD1 TYR A 45 1.485 -0.773 27.776 1.00 24.90 C ATOM 364 CD2 TYR A 45 1.885 0.831 29.634 1.00 18.15 C ATOM 365 CE1 TYR A 45 1.226 -1.791 28.802 1.00 23.60 C ATOM 366 CE2 TYR A 45 1.662 -0.201 30.602 1.00 25.81 C ATOM 367 CZ TYR A 45 1.344 -1.478 30.107 1.00 33.54 C ATOM 368 OH TYR A 45 1.077 -2.484 31.004 1.00 31.38 O ATOM 369 N ASN A 46 5.158 0.557 28.163 1.00 14.92 N ATOM 370 CA ASN A 46 6.175 -0.505 28.245 1.00 17.12 C ATOM 371 C ASN A 46 5.481 -1.728 28.878 1.00 14.21 C ATOM 372 O ASN A 46 5.295 -1.881 30.109 1.00 20.00 O ATOM 373 CB ASN A 46 7.371 -0.074 29.119 1.00 15.30 C ATOM 374 CG ASN A 46 7.990 1.167 28.517 1.00 47.33 C ATOM 375 OD1 ASN A 46 8.382 1.231 27.365 1.00 47.62 O ATOM 376 ND2 ASN A 46 8.088 2.338 29.257 1.00 23.30 N ATOM 377 N ALA A 47 5.018 -2.593 27.973 1.00 23.32 N ATOM 378 CA ALA A 47 4.138 -3.714 28.358 1.00 51.48 C ATOM 379 C ALA A 47 4.846 -4.635 29.354 1.00 50.58 C ATOM 380 O ALA A 47 4.294 -5.284 30.268 1.00 26.97 O ATOM 381 CB ALA A 47 3.721 -4.589 27.159 1.00 31.09 C ATOM 382 N GLY A 48 6.148 -4.756 29.091 1.00 25.34 N ATOM 383 CA GLY A 48 7.190 -5.469 29.835 1.00 40.72 C ATOM 384 C GLY A 48 7.136 -5.215 31.334 1.00 26.22 C ATOM 385 O GLY A 48 7.024 -6.136 32.176 1.00 22.25 O ATOM 386 N ASP A 49 7.261 -3.957 31.759 1.00 20.13 N ATOM 387 CA ASP A 49 7.305 -3.658 33.213 1.00 15.65 C ATOM 388 C ASP A 49 6.156 -2.740 33.621 1.00 15.95 C ATOM 389 O ASP A 49 6.167 -2.374 34.797 1.00 20.94 O ATOM 390 CB ASP A 49 8.705 -3.083 33.554 1.00 19.49 C ATOM 391 CG ASP A 49 8.857 -1.658 33.081 1.00 31.01 C ATOM 392 OD1 ASP A 49 8.008 -1.112 32.394 1.00 21.31 O ATOM 393 OD2 ASP A 49 9.911 -1.145 33.336 1.00 76.58 O ATOM 394 N ARG A 50 5.158 -2.588 32.749 1.00 16.39 N ATOM 395 CA ARG A 50 3.904 -1.907 33.093 1.00 27.93 C ATOM 396 C ARG A 50 4.104 -0.426 33.406 1.00 20.75 C ATOM 397 O ARG A 50 3.310 0.153 34.167 1.00 25.98 O ATOM 398 CB ARG A 50 3.295 -2.541 34.364 1.00 24.65 C ATOM 399 CG ARG A 50 2.853 -3.991 34.046 1.00 28.70 C ATOM 400 CD ARG A 50 2.125 -4.385 35.329 1.00 30.68 C ATOM 401 NE ARG A 50 1.753 -5.807 35.344 1.00 47.34 N ATOM 402 CZ ARG A 50 0.633 -6.237 34.706 1.00 86.32 C ATOM 403 NH1 ARG A 50 -0.299 -5.462 34.114 1.00 67.18 N ATOM 404 NH2 ARG A 50 0.404 -7.543 34.625 1.00 49.91 N ATOM 405 N SER A 51 5.161 0.168 32.842 1.00 19.81 N ATOM 406 CA SER A 51 5.381 1.611 33.107 1.00 16.91 C ATOM 407 C SER A 51 5.051 2.315 31.796 1.00 17.33 C ATOM 408 O SER A 51 4.970 1.718 30.711 1.00 13.37 O ATOM 409 CB SER A 51 6.806 1.856 33.504 1.00 12.36 C ATOM 410 OG SER A 51 7.688 1.581 32.416 1.00 14.38 O ATOM 411 N THR A 52 4.894 3.651 31.873 1.00 11.70 N ATOM 412 CA THR A 52 4.692 4.457 30.684 1.00 7.65 C ATOM 413 C THR A 52 5.676 5.641 30.649 1.00 9.65 C ATOM 414 O THR A 52 6.002 6.191 31.736 1.00 11.16 O ATOM 415 CB THR A 52 3.251 5.019 30.697 1.00 15.41 C ATOM 416 OG1 THR A 52 2.377 3.870 30.799 1.00 14.82 O ATOM 417 CG2 THR A 52 2.867 5.818 29.481 1.00 11.28 C ATOM 418 N ASP A 53 6.095 5.937 29.423 1.00 12.66 N ATOM 419 CA ASP A 53 6.961 7.125 29.219 1.00 9.61 C ATOM 420 C ASP A 53 6.124 8.301 28.726 1.00 10.24 C ATOM 421 O ASP A 53 5.308 8.088 27.822 1.00 11.80 O ATOM 422 CB ASP A 53 8.066 6.878 28.195 1.00 13.14 C ATOM 423 CG ASP A 53 8.880 5.685 28.664 1.00 19.94 C ATOM 424 OD1 ASP A 53 9.316 5.651 29.787 1.00 18.51 O ATOM 425 OD2 ASP A 53 9.045 4.879 27.801 1.00 26.24 O ATOM 426 N TYR A 54 6.257 9.465 29.342 1.00 10.18 N ATOM 427 CA TYR A 54 5.381 10.633 29.071 1.00 10.09 C ATOM 428 C TYR A 54 6.139 11.866 28.565 1.00 10.64 C ATOM 429 O TYR A 54 7.187 12.279 29.148 1.00 11.47 O ATOM 430 CB TYR A 54 4.733 11.059 30.405 1.00 10.22 C ATOM 431 CG TYR A 54 3.707 10.046 30.934 1.00 13.40 C ATOM 432 CD1 TYR A 54 2.367 10.205 30.538 1.00 12.41 C ATOM 433 CD2 TYR A 54 4.059 9.010 31.765 1.00 13.35 C ATOM 434 CE1 TYR A 54 1.372 9.291 31.058 1.00 13.40 C ATOM 435 CE2 TYR A 54 3.098 8.099 32.302 1.00 11.43 C ATOM 436 CZ TYR A 54 1.773 8.288 31.881 1.00 13.76 C ATOM 437 OH TYR A 54 0.825 7.402 32.384 1.00 11.27 O ATOM 438 N GLY A 55 5.536 12.472 27.547 1.00 10.33 N ATOM 439 CA GLY A 55 5.910 13.850 27.198 1.00 9.15 C ATOM 440 C GLY A 55 7.173 13.931 26.343 1.00 10.96 C ATOM 441 O GLY A 55 7.735 12.991 25.773 1.00 10.68 O ATOM 442 N ILE A 56 7.581 15.225 26.290 1.00 9.81 N ATOM 443 CA ILE A 56 8.649 15.549 25.314 1.00 11.84 C ATOM 444 C ILE A 56 9.979 14.843 25.661 1.00 10.33 C ATOM 445 O ILE A 56 10.743 14.600 24.679 1.00 10.73 O ATOM 446 CB ILE A 56 8.744 17.105 25.233 1.00 12.67 C ATOM 447 CG1 ILE A 56 9.580 17.472 23.974 1.00 14.06 C ATOM 448 CG2 ILE A 56 9.300 17.676 26.517 1.00 9.92 C ATOM 449 CD1 ILE A 56 9.301 18.967 23.607 1.00 17.98 C ATOM 450 N PHE A 57 10.210 14.515 26.939 1.00 8.97 N ATOM 451 CA PHE A 57 11.484 13.850 27.265 1.00 11.20 C ATOM 452 C PHE A 57 11.238 12.371 27.528 1.00 12.51 C ATOM 453 O PHE A 57 12.175 11.706 27.984 1.00 12.22 O ATOM 454 CB PHE A 57 12.117 14.478 28.490 1.00 10.79 C ATOM 455 CG PHE A 57 12.586 15.895 28.228 1.00 16.18 C ATOM 456 CD1 PHE A 57 12.129 16.929 28.971 1.00 16.91 C ATOM 457 CD2 PHE A 57 13.463 16.157 27.201 1.00 15.37 C ATOM 458 CE1 PHE A 57 12.579 18.276 28.775 1.00 23.17 C ATOM 459 CE2 PHE A 57 13.934 17.496 26.933 1.00 19.47 C ATOM 460 CZ PHE A 57 13.483 18.445 27.774 1.00 21.99 C ATOM 461 N GLN A 58 9.989 11.930 27.342 1.00 11.09 N ATOM 462 CA GLN A 58 9.664 10.511 27.566 1.00 14.61 C ATOM 463 C GLN A 58 10.138 10.091 28.959 1.00 12.53 C ATOM 464 O GLN A 58 10.890 9.097 29.131 1.00 15.15 O ATOM 465 CB GLN A 58 10.297 9.647 26.501 1.00 9.59 C ATOM 466 CG GLN A 58 9.497 9.870 25.278 1.00 11.72 C ATOM 467 CD GLN A 58 8.039 9.383 25.281 1.00 16.45 C ATOM 468 OE1 GLN A 58 7.856 8.152 25.059 1.00 11.52 O ATOM 469 NE2 GLN A 58 7.087 10.165 25.584 1.00 14.18 N ATOM 470 N ILE A 59 9.705 10.767 30.005 1.00 8.71 N ATOM 471 CA ILE A 59 10.090 10.480 31.397 1.00 8.40 C ATOM 472 C ILE A 59 9.178 9.353 31.882 1.00 15.52 C ATOM 473 O ILE A 59 7.934 9.335 31.682 1.00 11.46 O ATOM 474 CB ILE A 59 9.942 11.749 32.263 1.00 14.37 C ATOM 475 CG1 ILE A 59 11.036 12.790 31.831 1.00 15.18 C ATOM 476 CG2 ILE A 59 9.986 11.415 33.765 1.00 13.08 C ATOM 477 CD1 ILE A 59 10.895 14.273 32.227 1.00 17.65 C ATOM 478 N ASN A 60 9.806 8.413 32.589 1.00 12.97 N ATOM 479 CA ASN A 60 9.139 7.134 32.924 1.00 11.63 C ATOM 480 C ASN A 60 8.415 7.185 34.260 1.00 10.94 C ATOM 481 O ASN A 60 8.859 7.781 35.270 1.00 13.36 O ATOM 482 CB ASN A 60 10.253 6.050 32.935 1.00 15.26 C ATOM 483 CG ASN A 60 9.681 4.658 33.183 1.00 14.12 C ATOM 484 OD1 ASN A 60 9.668 4.235 34.314 1.00 13.58 O ATOM 485 ND2 ASN A 60 9.297 4.114 31.970 1.00 15.97 N ATOM 486 N SER A 61 7.255 6.480 34.342 1.00 12.90 N ATOM 487 CA SER A 61 6.377 6.525 35.523 1.00 13.79 C ATOM 488 C SER A 61 6.843 5.567 36.627 1.00 15.12 C ATOM 489 O SER A 61 6.212 5.595 37.708 1.00 16.60 O ATOM 490 CB SER A 61 4.983 6.143 35.046 1.00 10.74 C ATOM 491 OG SER A 61 4.990 4.790 34.582 1.00 13.77 O ATOM 492 N ARG A 62 7.858 4.726 36.381 1.00 13.56 N ATOM 493 CA ARG A 62 8.295 3.897 37.510 1.00 16.99 C ATOM 494 C ARG A 62 9.132 4.741 38.468 1.00 24.09 C ATOM 495 O ARG A 62 8.947 4.555 39.697 1.00 25.78 O ATOM 496 CB ARG A 62 9.132 2.682 37.044 1.00 19.17 C ATOM 497 CG ARG A 62 9.582 1.950 38.341 1.00 28.27 C ATOM 498 CD ARG A 62 9.706 0.463 38.102 1.00 36.81 C ATOM 499 NE ARG A 62 8.361 -0.142 38.025 1.00 46.97 N ATOM 500 CZ ARG A 62 7.805 -0.584 36.863 1.00 57.44 C ATOM 501 NH1 ARG A 62 8.482 -0.543 35.696 1.00 56.54 N ATOM 502 NH2 ARG A 62 6.600 -1.120 36.721 1.00 48.93 N ATOM 503 N TYR A 63 9.972 5.625 37.900 1.00 14.52 N ATOM 504 CA TYR A 63 10.835 6.334 38.837 1.00 15.24 C ATOM 505 C TYR A 63 10.448 7.778 39.063 1.00 18.00 C ATOM 506 O TYR A 63 10.798 8.291 40.132 1.00 17.24 O ATOM 507 CB TYR A 63 12.284 6.422 38.300 1.00 23.07 C ATOM 508 CG TYR A 63 12.756 5.003 37.950 1.00 35.02 C ATOM 509 CD1 TYR A 63 12.702 4.569 36.615 1.00 32.06 C ATOM 510 CD2 TYR A 63 13.106 4.153 38.967 1.00 98.06 C ATOM 511 CE1 TYR A 63 13.042 3.181 36.321 1.00 39.82 C ATOM 512 CE2 TYR A 63 13.464 2.800 38.681 1.00 40.16 C ATOM 513 CZ TYR A 63 13.420 2.381 37.342 1.00 66.00 C ATOM 514 OH TYR A 63 13.784 1.075 37.075 1.00 79.76 O ATOM 515 N TRP A 64 9.914 8.498 38.077 1.00 12.98 N ATOM 516 CA TRP A 64 9.935 9.965 38.167 1.00 10.83 C ATOM 517 C TRP A 64 8.573 10.662 38.349 1.00 12.35 C ATOM 518 O TRP A 64 8.607 11.620 39.107 1.00 13.01 O ATOM 519 CB TRP A 64 10.508 10.512 36.863 1.00 12.34 C ATOM 520 CG TRP A 64 11.916 9.866 36.642 1.00 11.74 C ATOM 521 CD1 TRP A 64 12.215 8.984 35.691 1.00 14.81 C ATOM 522 CD2 TRP A 64 13.096 10.109 37.372 1.00 15.19 C ATOM 523 NE1 TRP A 64 13.597 8.577 35.891 1.00 25.48 N ATOM 524 CE2 TRP A 64 14.117 9.247 36.850 1.00 15.25 C ATOM 525 CE3 TRP A 64 13.354 10.890 38.481 1.00 16.38 C ATOM 526 CZ2 TRP A 64 15.433 9.230 37.363 1.00 17.45 C ATOM 527 CZ3 TRP A 64 14.690 10.910 38.969 1.00 16.14 C ATOM 528 CH2 TRP A 64 15.638 10.047 38.423 1.00 17.67 C ATOM 529 N CYS A 65 7.520 10.160 37.696 1.00 14.81 N ATOM 530 CA CYS A 65 6.220 10.839 37.877 1.00 11.09 C ATOM 531 C CYS A 65 5.278 9.702 38.236 1.00 12.86 C ATOM 532 O CYS A 65 5.531 8.502 37.999 1.00 15.99 O ATOM 533 CB CYS A 65 5.806 11.563 36.632 1.00 11.49 C ATOM 534 SG CYS A 65 5.537 10.465 35.174 1.00 12.99 S ATOM 535 N ASN A 66 4.204 10.136 38.920 1.00 15.19 N ATOM 536 CA ASN A 66 3.139 9.178 39.318 1.00 12.80 C ATOM 537 C ASN A 66 1.937 9.145 38.363 1.00 15.77 C ATOM 538 O ASN A 66 1.330 10.242 38.195 1.00 13.52 O ATOM 539 CB ASN A 66 2.610 9.595 40.693 1.00 12.76 C ATOM 540 CG ASN A 66 1.644 8.548 41.216 1.00 24.04 C ATOM 541 OD1 ASN A 66 1.822 7.349 41.041 1.00 22.72 O ATOM 542 ND2 ASN A 66 0.595 9.137 41.915 1.00 30.93 N ATOM 543 N ASP A 67 1.585 7.924 37.939 1.00 11.93 N ATOM 544 CA ASP A 67 0.394 7.830 37.073 1.00 11.72 C ATOM 545 C ASP A 67 -0.600 6.953 37.855 1.00 15.68 C ATOM 546 O ASP A 67 -1.682 6.691 37.297 1.00 15.46 O ATOM 547 CB ASP A 67 0.688 7.357 35.633 1.00 10.37 C ATOM 548 CG ASP A 67 1.300 5.980 35.425 1.00 10.51 C ATOM 549 OD1 ASP A 67 1.352 5.300 36.459 1.00 12.09 O ATOM 550 OD2 ASP A 67 1.505 5.698 34.287 1.00 12.92 O ATOM 551 N GLY A 68 -0.317 6.454 39.038 1.00 12.46 N ATOM 552 CA GLY A 68 -1.273 5.613 39.779 1.00 15.29 C ATOM 553 C GLY A 68 -1.267 4.149 39.324 1.00 15.66 C ATOM 554 O GLY A 68 -1.806 3.293 40.082 1.00 21.91 O ATOM 555 N LYS A 69 -0.840 3.789 38.118 1.00 17.87 N ATOM 556 CA LYS A 69 -1.032 2.351 37.808 1.00 16.73 C ATOM 557 C LYS A 69 0.315 1.707 37.484 1.00 24.21 C ATOM 558 O LYS A 69 0.272 0.559 36.980 1.00 28.75 O ATOM 559 CB LYS A 69 -1.926 2.066 36.627 1.00 39.72 C ATOM 560 CG LYS A 69 -2.670 3.002 35.715 1.00 44.28 C ATOM 561 CD LYS A 69 -1.510 3.223 34.757 1.00 21.94 C ATOM 562 CE LYS A 69 -2.072 3.287 33.357 1.00 23.51 C ATOM 563 NZ LYS A 69 -1.339 4.230 32.488 1.00 46.22 N ATOM 564 N THR A 70 1.428 2.304 37.889 1.00 16.00 N ATOM 565 CA THR A 70 2.748 1.678 37.649 1.00 21.53 C ATOM 566 C THR A 70 3.181 0.993 38.941 1.00 25.71 C ATOM 567 O THR A 70 3.370 1.692 39.961 1.00 22.05 O ATOM 568 CB THR A 70 3.796 2.720 37.235 1.00 15.84 C ATOM 569 OG1 THR A 70 3.230 3.330 36.084 1.00 12.89 O ATOM 570 CG2 THR A 70 5.090 2.014 36.869 1.00 13.92 C ATOM 571 N PRO A 71 3.368 -0.337 38.975 1.00 20.18 N ATOM 572 CA PRO A 71 3.751 -0.983 40.233 1.00 30.19 C ATOM 573 C PRO A 71 5.169 -0.500 40.485 1.00 46.19 C ATOM 574 O PRO A 71 5.973 -0.239 39.563 1.00 29.28 O ATOM 575 CB PRO A 71 3.579 -2.441 39.923 1.00 25.55 C ATOM 576 CG PRO A 71 3.689 -2.602 38.421 1.00 36.82 C ATOM 577 CD PRO A 71 3.080 -1.289 37.909 1.00 19.43 C ATOM 578 N GLY A 72 5.558 -0.349 41.747 1.00 33.93 N ATOM 579 CA GLY A 72 6.996 -0.029 41.869 1.00 55.27 C ATOM 580 C GLY A 72 7.277 1.422 41.483 1.00 58.91 C ATOM 581 O GLY A 72 8.496 1.683 41.601 1.00 71.24 O ATOM 582 N ALA A 73 6.307 2.268 41.141 1.00 48.71 N ATOM 583 CA ALA A 73 6.541 3.722 41.121 1.00 44.77 C ATOM 584 C ALA A 73 7.074 4.345 42.413 1.00 45.94 C ATOM 585 O ALA A 73 6.672 4.256 43.596 1.00 30.75 O ATOM 586 CB ALA A 73 5.211 4.461 40.886 1.00 30.98 C ATOM 587 N VAL A 74 8.077 5.203 42.210 1.00 32.82 N ATOM 588 CA VAL A 74 8.809 6.049 43.158 1.00 33.43 C ATOM 589 C VAL A 74 8.484 7.541 43.227 1.00 64.00 C ATOM 590 O VAL A 74 8.760 8.164 44.277 1.00 67.80 O ATOM 591 CB VAL A 74 10.292 6.073 42.762 1.00 42.64 C ATOM 592 CG1 VAL A 74 11.030 7.000 43.690 1.00 26.31 C ATOM 593 CG2 VAL A 74 10.948 4.687 42.552 1.00 57.77 C ATOM 594 N ASN A 75 8.005 8.128 42.141 1.00 23.57 N ATOM 595 CA ASN A 75 7.646 9.558 42.006 1.00 16.02 C ATOM 596 C ASN A 75 8.712 10.559 42.503 1.00 17.01 C ATOM 597 O ASN A 75 8.367 11.458 43.283 1.00 17.04 O ATOM 598 CB ASN A 75 6.318 9.861 42.750 1.00 14.37 C ATOM 599 CG ASN A 75 5.699 11.133 42.221 1.00 19.84 C ATOM 600 OD1 ASN A 75 6.105 11.762 41.247 1.00 17.35 O ATOM 601 ND2 ASN A 75 4.569 11.656 42.839 1.00 21.34 N ATOM 602 N ALA A 76 9.944 10.396 42.021 1.00 16.47 N ATOM 603 CA ALA A 76 11.079 11.235 42.466 1.00 16.97 C ATOM 604 C ALA A 76 10.867 12.686 42.028 1.00 20.90 C ATOM 605 O ALA A 76 11.365 13.600 42.740 1.00 18.96 O ATOM 606 CB ALA A 76 12.394 10.703 41.864 1.00 19.06 C ATOM 607 N CYS A 77 10.085 13.002 40.973 1.00 15.42 N ATOM 608 CA CYS A 77 9.813 14.414 40.662 1.00 12.24 C ATOM 609 C CYS A 77 8.644 15.007 41.448 1.00 16.97 C ATOM 610 O CYS A 77 8.384 16.223 41.320 1.00 15.40 O ATOM 611 CB CYS A 77 9.482 14.546 39.178 1.00 15.64 C ATOM 612 SG CYS A 77 11.055 14.262 38.221 1.00 13.76 S ATOM 613 N HIS A 78 7.922 14.137 42.189 1.00 15.34 N ATOM 614 CA HIS A 78 6.728 14.574 42.951 1.00 14.83 C ATOM 615 C HIS A 78 5.765 15.352 42.045 1.00 20.54 C ATOM 616 O HIS A 78 5.218 16.445 42.323 1.00 21.25 O ATOM 617 CB HIS A 78 7.062 15.473 44.164 1.00 18.22 C ATOM 618 CG HIS A 78 7.862 14.620 45.138 1.00 29.44 C ATOM 619 ND1 HIS A 78 9.237 14.512 45.316 1.00 47.19 N ATOM 620 CD2 HIS A 78 7.355 13.640 45.942 1.00 54.23 C ATOM 621 CE1 HIS A 78 9.493 13.584 46.216 1.00 60.91 C ATOM 622 NE2 HIS A 78 8.369 13.037 46.621 1.00 61.35 N ATOM 623 N LEU A 79 5.468 14.655 40.946 1.00 15.20 N ATOM 624 CA LEU A 79 4.608 15.198 39.891 1.00 19.37 C ATOM 625 C LEU A 79 3.616 14.139 39.433 1.00 14.51 C ATOM 626 O LEU A 79 4.008 12.981 39.205 1.00 15.84 O ATOM 627 CB LEU A 79 5.473 15.605 38.660 1.00 18.40 C ATOM 628 CG LEU A 79 5.920 17.025 38.408 1.00 31.83 C ATOM 629 CD1 LEU A 79 6.636 17.016 37.075 1.00 21.90 C ATOM 630 CD2 LEU A 79 4.819 18.047 38.296 1.00 21.64 C ATOM 631 N SER A 80 2.393 14.554 39.119 1.00 13.23 N ATOM 632 CA SER A 80 1.468 13.730 38.334 1.00 13.04 C ATOM 633 C SER A 80 2.089 13.571 36.956 1.00 12.10 C ATOM 634 O SER A 80 2.514 14.568 36.323 1.00 13.19 O ATOM 635 CB SER A 80 0.135 14.436 38.172 1.00 13.21 C ATOM 636 OG SER A 80 -0.658 13.625 37.288 1.00 15.57 O ATOM 637 N CYS A 81 1.995 12.397 36.330 1.00 12.04 N ATOM 638 CA CYS A 81 2.546 12.227 34.989 1.00 11.89 C ATOM 639 C CYS A 81 1.725 13.076 34.029 1.00 12.56 C ATOM 640 O CYS A 81 2.207 13.386 32.938 1.00 12.67 O ATOM 641 CB CYS A 81 2.434 10.795 34.536 1.00 10.56 C ATOM 642 SG CYS A 81 3.619 9.719 35.483 1.00 12.47 S ATOM 643 N SER A 82 0.458 13.398 34.372 1.00 12.08 N ATOM 644 CA SER A 82 -0.240 14.276 33.382 1.00 11.31 C ATOM 645 C SER A 82 0.383 15.667 33.259 1.00 9.79 C ATOM 646 O SER A 82 0.090 16.278 32.205 1.00 11.29 O ATOM 647 CB SER A 82 -1.669 14.172 33.881 1.00 16.66 C ATOM 648 OG SER A 82 -1.896 15.105 34.898 1.00 22.81 O ATOM 649 N ALA A 83 1.179 16.127 34.226 1.00 11.19 N ATOM 650 CA ALA A 83 1.854 17.438 34.061 1.00 9.81 C ATOM 651 C ALA A 83 2.910 17.403 32.975 1.00 11.16 C ATOM 652 O ALA A 83 3.196 18.490 32.432 1.00 13.82 O ATOM 653 CB ALA A 83 2.581 17.801 35.349 1.00 12.67 C ATOM 654 N LEU A 84 3.275 16.206 32.551 1.00 11.41 N ATOM 655 CA LEU A 84 4.255 16.022 31.471 1.00 9.93 C ATOM 656 C LEU A 84 3.532 15.876 30.152 1.00 13.01 C ATOM 657 O LEU A 84 4.250 15.598 29.158 1.00 14.37 O ATOM 658 CB LEU A 84 5.123 14.769 31.764 1.00 10.54 C ATOM 659 CG LEU A 84 5.794 14.860 33.116 1.00 15.06 C ATOM 660 CD1 LEU A 84 6.612 13.593 33.266 1.00 17.18 C ATOM 661 CD2 LEU A 84 6.747 16.012 33.331 1.00 21.79 C ATOM 662 N LEU A 85 2.221 16.111 30.024 1.00 10.19 N ATOM 663 CA LEU A 85 1.555 16.060 28.705 1.00 12.48 C ATOM 664 C LEU A 85 1.005 17.462 28.435 1.00 13.50 C ATOM 665 O LEU A 85 0.159 17.552 27.515 1.00 14.47 O ATOM 666 CB LEU A 85 0.427 14.984 28.735 1.00 12.65 C ATOM 667 CG LEU A 85 0.861 13.543 28.970 1.00 13.66 C ATOM 668 CD1 LEU A 85 -0.306 12.574 29.113 1.00 13.81 C ATOM 669 CD2 LEU A 85 1.757 13.140 27.812 1.00 14.09 C ATOM 670 N GLN A 86 1.408 18.468 29.214 1.00 12.78 N ATOM 671 CA GLN A 86 0.942 19.840 28.955 1.00 11.58 C ATOM 672 C GLN A 86 1.713 20.454 27.794 1.00 16.80 C ATOM 673 O GLN A 86 2.816 20.043 27.348 1.00 16.26 O ATOM 674 CB GLN A 86 1.195 20.696 30.155 1.00 13.91 C ATOM 675 CG GLN A 86 0.320 20.330 31.294 1.00 14.75 C ATOM 676 CD GLN A 86 0.749 21.243 32.455 1.00 55.17 C ATOM 677 OE1 GLN A 86 0.160 22.370 32.591 1.00 47.08 O ATOM 678 NE2 GLN A 86 1.728 20.884 33.173 1.00 27.47 N ATOM 679 N ASP A 87 1.139 21.506 27.209 1.00 12.02 N ATOM 680 CA ASP A 87 1.768 22.198 26.083 1.00 11.48 C ATOM 681 C ASP A 87 2.895 23.068 26.656 1.00 14.37 C ATOM 682 O ASP A 87 3.887 23.324 25.940 1.00 17.26 O ATOM 683 CB ASP A 87 0.778 23.130 25.356 1.00 15.09 C ATOM 684 CG ASP A 87 -0.087 22.442 24.334 1.00 22.80 C ATOM 685 OD1 ASP A 87 0.008 21.242 24.144 1.00 20.82 O ATOM 686 OD2 ASP A 87 -0.892 23.190 23.839 1.00 23.92 O ATOM 687 N ASN A 88 2.691 23.527 27.884 1.00 14.39 N ATOM 688 CA ASN A 88 3.692 24.261 28.687 1.00 17.27 C ATOM 689 C ASN A 88 4.701 23.234 29.215 1.00 20.10 C ATOM 690 O ASN A 88 4.234 22.369 29.978 1.00 15.51 O ATOM 691 CB ASN A 88 3.011 25.008 29.854 1.00 19.70 C ATOM 692 CG ASN A 88 4.027 25.768 30.668 1.00 34.88 C ATOM 693 OD1 ASN A 88 4.955 25.418 31.366 1.00 27.73 O ATOM 694 ND2 ASN A 88 3.911 27.152 30.763 1.00 57.31 N ATOM 695 N ILE A 89 6.002 23.310 28.893 1.00 13.06 N ATOM 696 CA ILE A 89 6.927 22.257 29.338 1.00 10.57 C ATOM 697 C ILE A 89 7.655 22.663 30.633 1.00 15.28 C ATOM 698 O ILE A 89 8.635 21.970 31.000 1.00 11.32 O ATOM 699 CB ILE A 89 7.910 21.934 28.173 1.00 12.53 C ATOM 700 CG1 ILE A 89 8.814 23.181 27.894 1.00 14.71 C ATOM 701 CG2 ILE A 89 7.062 21.402 27.004 1.00 14.25 C ATOM 702 CD1 ILE A 89 9.956 22.819 26.893 1.00 14.93 C ATOM 703 N ALA A 90 7.281 23.712 31.376 1.00 12.89 N ATOM 704 CA ALA A 90 8.036 24.061 32.592 1.00 11.57 C ATOM 705 C ALA A 90 8.127 22.881 33.575 1.00 12.18 C ATOM 706 O ALA A 90 9.212 22.639 34.166 1.00 11.15 O ATOM 707 CB ALA A 90 7.436 25.276 33.339 1.00 15.01 C ATOM 708 N ASP A 91 7.033 22.152 33.823 1.00 12.93 N ATOM 709 CA ASP A 91 7.164 21.017 34.742 1.00 11.69 C ATOM 710 C ASP A 91 7.988 19.879 34.159 1.00 11.28 C ATOM 711 O ASP A 91 8.745 19.205 34.936 1.00 11.81 O ATOM 712 CB ASP A 91 5.759 20.420 35.013 1.00 13.57 C ATOM 713 CG ASP A 91 4.933 21.354 35.874 1.00 24.93 C ATOM 714 OD1 ASP A 91 3.776 21.588 35.537 1.00 30.28 O ATOM 715 OD2 ASP A 91 5.422 21.920 36.810 1.00 22.00 O ATOM 716 N ALA A 92 7.878 19.580 32.875 1.00 11.75 N ATOM 717 CA ALA A 92 8.720 18.557 32.224 1.00 12.94 C ATOM 718 C ALA A 92 10.198 18.937 32.417 1.00 13.81 C ATOM 719 O ALA A 92 11.030 18.048 32.720 1.00 12.68 O ATOM 720 CB ALA A 92 8.483 18.409 30.712 1.00 12.10 C ATOM 721 N VAL A 93 10.554 20.224 32.202 1.00 10.78 N ATOM 722 CA VAL A 93 11.956 20.646 32.398 1.00 8.12 C ATOM 723 C VAL A 93 12.340 20.548 33.863 1.00 12.93 C ATOM 724 O VAL A 93 13.469 20.085 34.129 1.00 11.82 O ATOM 725 CB VAL A 93 12.053 22.093 31.913 1.00 10.33 C ATOM 726 CG1 VAL A 93 13.217 22.819 32.508 1.00 10.66 C ATOM 727 CG2 VAL A 93 11.945 22.058 30.370 1.00 11.63 C ATOM 728 N ALA A 94 11.491 20.873 34.850 1.00 9.37 N ATOM 729 CA ALA A 94 11.853 20.763 36.263 1.00 11.09 C ATOM 730 C ALA A 94 12.182 19.305 36.572 1.00 10.40 C ATOM 731 O ALA A 94 13.119 18.907 37.286 1.00 12.92 O ATOM 732 CB ALA A 94 10.701 21.280 37.144 1.00 12.81 C ATOM 733 N CYS A 95 11.421 18.389 35.992 1.00 9.37 N ATOM 734 CA CYS A 95 11.644 16.956 36.286 1.00 9.35 C ATOM 735 C CYS A 95 12.882 16.483 35.525 1.00 11.33 C ATOM 736 O CYS A 95 13.640 15.665 36.110 1.00 11.24 O ATOM 737 CB CYS A 95 10.370 16.252 35.885 1.00 11.59 C ATOM 738 SG CYS A 95 10.410 14.408 36.289 1.00 12.71 S ATOM 739 N ALA A 96 13.079 16.857 34.265 1.00 9.96 N ATOM 740 CA ALA A 96 14.298 16.458 33.527 1.00 10.05 C ATOM 741 C ALA A 96 15.505 16.952 34.312 1.00 11.81 C ATOM 742 O ALA A 96 16.543 16.231 34.326 1.00 13.26 O ATOM 743 CB ALA A 96 14.243 17.095 32.134 1.00 13.57 C ATOM 744 N LYS A 97 15.503 18.148 34.922 1.00 10.20 N ATOM 745 CA LYS A 97 16.643 18.635 35.743 1.00 9.45 C ATOM 746 C LYS A 97 16.855 17.688 36.929 1.00 14.59 C ATOM 747 O LYS A 97 18.013 17.366 37.308 1.00 14.40 O ATOM 748 CB LYS A 97 16.363 20.047 36.271 1.00 11.47 C ATOM 749 CG LYS A 97 16.495 21.096 35.168 1.00 12.07 C ATOM 750 CD LYS A 97 16.106 22.462 35.720 1.00 14.60 C ATOM 751 CE LYS A 97 16.409 23.518 34.667 1.00 14.23 C ATOM 752 NZ LYS A 97 15.929 24.822 35.184 1.00 15.05 N ATOM 753 N ARG A 98 15.758 17.250 37.567 1.00 10.59 N ATOM 754 CA ARG A 98 15.859 16.260 38.648 1.00 10.55 C ATOM 755 C ARG A 98 16.495 14.979 38.139 1.00 13.84 C ATOM 756 O ARG A 98 17.392 14.429 38.838 1.00 14.48 O ATOM 757 CB ARG A 98 14.450 15.925 39.216 1.00 11.12 C ATOM 758 CG ARG A 98 14.314 14.793 40.253 1.00 14.99 C ATOM 759 CD ARG A 98 15.144 14.985 41.509 1.00 39.95 C ATOM 760 NE ARG A 98 15.330 13.811 42.389 1.00 24.68 N ATOM 761 CZ ARG A 98 16.189 12.787 42.157 1.00 26.36 C ATOM 762 NH1 ARG A 98 16.054 11.811 43.083 1.00 24.42 N ATOM 763 NH2 ARG A 98 17.078 12.730 41.160 1.00 20.61 N ATOM 764 N VAL A 99 16.140 14.420 36.989 1.00 12.12 N ATOM 765 CA VAL A 99 16.709 13.167 36.506 1.00 11.75 C ATOM 766 C VAL A 99 18.235 13.278 36.387 1.00 13.33 C ATOM 767 O VAL A 99 18.930 12.350 36.864 1.00 14.48 O ATOM 768 CB VAL A 99 16.105 12.817 35.160 1.00 14.01 C ATOM 769 CG1 VAL A 99 16.849 11.669 34.536 1.00 14.38 C ATOM 770 CG2 VAL A 99 14.562 12.659 35.254 1.00 15.39 C ATOM 771 N VAL A 100 18.749 14.367 35.823 1.00 14.15 N ATOM 772 CA VAL A 100 20.197 14.449 35.566 1.00 13.85 C ATOM 773 C VAL A 100 20.925 14.919 36.841 1.00 26.57 C ATOM 774 O VAL A 100 22.185 15.022 36.763 1.00 21.80 O ATOM 775 CB VAL A 100 20.457 15.401 34.402 1.00 11.90 C ATOM 776 CG1 VAL A 100 19.790 14.843 33.176 1.00 13.60 C ATOM 777 CG2 VAL A 100 20.186 16.901 34.724 1.00 15.99 C ATOM 778 N ARG A 101 20.266 15.196 37.976 1.00 16.63 N ATOM 779 CA ARG A 101 20.962 15.437 39.243 1.00 20.10 C ATOM 780 C ARG A 101 21.400 14.083 39.799 1.00 46.59 C ATOM 781 O ARG A 101 22.264 14.079 40.699 1.00 42.05 O ATOM 782 CB ARG A 101 20.089 16.197 40.266 1.00 22.61 C ATOM 783 CG ARG A 101 20.095 17.676 39.847 1.00 23.36 C ATOM 784 CD ARG A 101 19.648 18.690 40.886 1.00 22.08 C ATOM 785 NE ARG A 101 18.386 18.257 41.524 1.00 23.96 N ATOM 786 CZ ARG A 101 17.238 18.803 41.052 1.00 40.78 C ATOM 787 NH1 ARG A 101 17.203 19.616 39.983 1.00 38.86 N ATOM 788 NH2 ARG A 101 16.096 18.491 41.643 1.00 27.29 N ATOM 789 N ASP A 102 20.963 12.926 39.320 1.00 25.39 N ATOM 790 CA ASP A 102 21.544 11.617 39.699 1.00 21.81 C ATOM 791 C ASP A 102 22.873 11.423 38.959 1.00 27.98 C ATOM 792 O ASP A 102 23.091 12.156 37.951 1.00 24.57 O ATOM 793 CB ASP A 102 20.586 10.466 39.348 1.00 31.24 C ATOM 794 CG ASP A 102 19.424 10.194 40.275 1.00 42.35 C ATOM 795 OD1 ASP A 102 18.675 9.263 40.025 1.00 46.85 O ATOM 796 OD2 ASP A 102 19.319 10.974 41.186 1.00 29.84 O ATOM 797 N PRO A 103 23.761 10.537 39.427 1.00 69.61 N ATOM 798 CA PRO A 103 25.142 10.453 38.911 1.00 47.12 C ATOM 799 C PRO A 103 25.204 10.184 37.401 1.00 77.46 C ATOM 800 O PRO A 103 26.071 10.755 36.696 1.00 28.23 O ATOM 801 CB PRO A 103 25.785 9.352 39.704 1.00 46.42 C ATOM 802 CG PRO A 103 24.833 8.790 40.747 1.00 67.05 C ATOM 803 CD PRO A 103 23.511 9.502 40.453 1.00 88.37 C ATOM 804 N GLN A 104 24.280 9.360 36.903 1.00 29.92 N ATOM 805 CA GLN A 104 24.231 8.989 35.478 1.00 31.60 C ATOM 806 C GLN A 104 23.998 10.220 34.596 1.00 51.22 C ATOM 807 O GLN A 104 24.350 10.192 33.395 1.00 21.27 O ATOM 808 CB GLN A 104 23.099 8.028 35.261 1.00 25.14 C ATOM 809 CG GLN A 104 23.220 6.571 35.335 1.00 79.03 C ATOM 810 CD GLN A 104 22.144 5.979 34.407 1.00 83.40 C ATOM 811 OE1 GLN A 104 20.916 5.983 34.772 1.00 97.38 O ATOM 812 NE2 GLN A 104 22.618 5.571 33.306 1.00 99.04 N ATOM 813 N GLY A 105 23.356 11.287 35.084 1.00 18.82 N ATOM 814 CA GLY A 105 23.204 12.457 34.189 1.00 18.88 C ATOM 815 C GLY A 105 22.242 12.075 33.045 1.00 17.98 C ATOM 816 O GLY A 105 21.297 11.287 33.257 1.00 18.70 O ATOM 817 N ILE A 106 22.557 12.630 31.884 1.00 19.45 N ATOM 818 CA ILE A 106 21.693 12.425 30.689 1.00 19.30 C ATOM 819 C ILE A 106 21.770 10.998 30.131 1.00 19.91 C ATOM 820 O ILE A 106 20.949 10.571 29.303 1.00 17.76 O ATOM 821 CB ILE A 106 22.069 13.520 29.646 1.00 21.45 C ATOM 822 CG1 ILE A 106 20.882 13.520 28.633 1.00 21.16 C ATOM 823 CG2 ILE A 106 23.488 13.293 29.104 1.00 17.96 C ATOM 824 CD1 ILE A 106 20.820 14.825 27.819 1.00 17.81 C ATOM 825 N ARG A 107 22.836 10.258 30.497 1.00 20.52 N ATOM 826 CA ARG A 107 22.982 8.847 30.099 1.00 23.86 C ATOM 827 C ARG A 107 21.765 8.084 30.593 1.00 58.53 C ATOM 828 O ARG A 107 21.674 6.910 30.206 1.00 24.82 O ATOM 829 CB ARG A 107 24.266 8.180 30.667 1.00 23.73 C ATOM 830 CG ARG A 107 25.489 8.603 29.835 1.00 35.22 C ATOM 831 CD ARG A 107 26.889 8.547 30.438 1.00 24.41 C ATOM 832 NE ARG A 107 27.767 9.629 29.943 1.00 91.97 N ATOM 833 CZ ARG A 107 27.562 10.861 29.416 1.00 85.58 C ATOM 834 NH1 ARG A 107 27.302 11.040 28.106 1.00106.13 N ATOM 835 NH2 ARG A 107 27.546 12.051 30.005 1.00 38.14 N ATOM 836 N ALA A 108 20.897 8.596 31.448 1.00 22.12 N ATOM 837 CA ALA A 108 19.742 7.915 32.043 1.00 19.54 C ATOM 838 C ALA A 108 18.765 7.521 30.946 1.00 34.51 C ATOM 839 O ALA A 108 17.990 6.559 31.140 1.00 30.85 O ATOM 840 CB ALA A 108 19.005 8.825 33.046 1.00 21.67 C ATOM 841 N TRP A 109 18.888 8.271 29.850 1.00 18.34 N ATOM 842 CA TRP A 109 18.047 7.958 28.699 1.00 15.46 C ATOM 843 C TRP A 109 18.844 7.186 27.664 1.00 14.89 C ATOM 844 O TRP A 109 19.747 7.734 27.004 1.00 18.22 O ATOM 845 CB TRP A 109 17.566 9.269 28.072 1.00 15.42 C ATOM 846 CG TRP A 109 16.390 10.029 28.778 1.00 16.40 C ATOM 847 CD1 TRP A 109 15.058 9.792 28.675 1.00 18.41 C ATOM 848 CD2 TRP A 109 16.531 11.095 29.669 1.00 15.31 C ATOM 849 NE1 TRP A 109 14.366 10.774 29.483 1.00 19.37 N ATOM 850 CE2 TRP A 109 15.228 11.563 30.004 1.00 16.71 C ATOM 851 CE3 TRP A 109 17.626 11.812 30.085 1.00 16.48 C ATOM 852 CZ2 TRP A 109 15.038 12.650 30.862 1.00 23.87 C ATOM 853 CZ3 TRP A 109 17.482 12.904 30.981 1.00 18.59 C ATOM 854 CH2 TRP A 109 16.175 13.285 31.280 1.00 23.78 C ATOM 855 N VAL A 110 18.431 5.923 27.446 1.00 20.45 N ATOM 856 CA VAL A 110 19.295 5.175 26.498 1.00 33.20 C ATOM 857 C VAL A 110 19.318 5.749 25.082 1.00 21.10 C ATOM 858 O VAL A 110 20.275 5.693 24.270 1.00 20.43 O ATOM 859 CB VAL A 110 18.827 3.709 26.446 1.00 39.30 C ATOM 860 CG1 VAL A 110 19.853 2.918 25.677 1.00 32.48 C ATOM 861 CG2 VAL A 110 18.364 3.243 27.850 1.00 40.05 C ATOM 862 N ALA A 111 18.209 6.384 24.659 1.00 19.43 N ATOM 863 CA ALA A 111 18.131 7.089 23.379 1.00 27.15 C ATOM 864 C ALA A 111 19.270 8.112 23.255 1.00 19.42 C ATOM 865 O ALA A 111 19.736 8.304 22.113 1.00 19.52 O ATOM 866 CB ALA A 111 16.814 7.862 23.224 1.00 19.79 C ATOM 867 N TRP A 112 19.600 8.770 24.376 1.00 19.69 N ATOM 868 CA TRP A 112 20.722 9.729 24.256 1.00 17.51 C ATOM 869 C TRP A 112 22.020 8.972 23.907 1.00 12.70 C ATOM 870 O TRP A 112 22.816 9.407 23.064 1.00 14.45 O ATOM 871 CB TRP A 112 20.755 10.541 25.562 1.00 13.76 C ATOM 872 CG TRP A 112 21.887 11.636 25.382 1.00 19.51 C ATOM 873 CD1 TRP A 112 21.792 12.835 24.774 1.00 15.54 C ATOM 874 CD2 TRP A 112 23.231 11.461 25.756 1.00 15.21 C ATOM 875 NE1 TRP A 112 23.099 13.450 24.857 1.00 20.12 N ATOM 876 CE2 TRP A 112 23.939 12.649 25.390 1.00 19.13 C ATOM 877 CE3 TRP A 112 23.900 10.439 26.395 1.00 18.90 C ATOM 878 CZ2 TRP A 112 25.286 12.879 25.653 1.00 16.84 C ATOM 879 CZ3 TRP A 112 25.283 10.663 26.585 1.00 25.17 C ATOM 880 CH2 TRP A 112 25.930 11.855 26.285 1.00 20.56 C ATOM 881 N ARG A 113 22.277 7.840 24.543 1.00 16.33 N ATOM 882 CA ARG A 113 23.518 7.089 24.257 1.00 19.49 C ATOM 883 C ARG A 113 23.517 6.541 22.836 1.00 22.05 C ATOM 884 O ARG A 113 24.564 6.645 22.161 1.00 17.85 O ATOM 885 CB ARG A 113 23.691 5.857 25.160 1.00 24.76 C ATOM 886 CG ARG A 113 23.660 6.205 26.664 1.00 26.71 C ATOM 887 CD ARG A 113 23.196 4.916 27.325 1.00 40.15 C ATOM 888 NE ARG A 113 23.402 4.994 28.774 1.00 84.77 N ATOM 889 CZ ARG A 113 22.692 4.245 29.644 1.00 99.74 C ATOM 890 NH1 ARG A 113 21.406 3.912 29.467 1.00 92.66 N ATOM 891 NH2 ARG A 113 23.475 3.958 30.669 1.00 84.44 N ATOM 892 N ASN A 114 22.354 6.020 22.403 1.00 20.10 N ATOM 893 CA ASN A 114 22.330 5.494 21.024 1.00 20.03 C ATOM 894 C ASN A 114 22.409 6.581 19.968 1.00 21.92 C ATOM 895 O ASN A 114 23.041 6.294 18.939 1.00 22.32 O ATOM 896 CB ASN A 114 21.007 4.710 20.796 1.00 20.33 C ATOM 897 CG ASN A 114 21.166 3.546 21.777 1.00 25.99 C ATOM 898 OD1 ASN A 114 22.226 2.984 22.010 1.00 69.03 O ATOM 899 ND2 ASN A 114 20.043 3.220 22.526 1.00 39.13 N ATOM 900 N ARG A 115 21.762 7.744 20.174 1.00 16.76 N ATOM 901 CA ARG A 115 21.681 8.678 19.041 1.00 14.41 C ATOM 902 C ARG A 115 22.454 9.991 19.206 1.00 15.69 C ATOM 903 O ARG A 115 22.397 10.781 18.241 1.00 21.44 O ATOM 904 CB ARG A 115 20.249 9.207 18.758 1.00 20.61 C ATOM 905 CG ARG A 115 19.089 8.404 19.356 1.00 46.22 C ATOM 906 CD ARG A 115 18.774 7.158 18.562 1.00 53.63 C ATOM 907 NE ARG A 115 18.569 7.488 17.143 1.00 35.74 N ATOM 908 CZ ARG A 115 17.851 6.642 16.357 1.00 39.18 C ATOM 909 NH1 ARG A 115 17.986 6.744 15.022 1.00 51.13 N ATOM 910 NH2 ARG A 115 17.038 5.668 16.726 1.00 55.87 N ATOM 911 N CYS A 116 23.018 10.243 20.376 1.00 19.04 N ATOM 912 CA CYS A 116 23.506 11.612 20.632 1.00 14.77 C ATOM 913 C CYS A 116 24.933 11.544 21.191 1.00 19.00 C ATOM 914 O CYS A 116 25.708 12.408 20.720 1.00 20.26 O ATOM 915 CB CYS A 116 22.714 12.380 21.692 1.00 13.74 C ATOM 916 SG CYS A 116 20.903 12.532 21.262 1.00 15.12 S ATOM 917 N GLN A 117 25.201 10.592 22.083 1.00 16.90 N ATOM 918 CA GLN A 117 26.559 10.474 22.668 1.00 22.58 C ATOM 919 C GLN A 117 27.627 10.291 21.589 1.00 33.28 C ATOM 920 O GLN A 117 27.473 9.513 20.612 1.00 21.10 O ATOM 921 CB GLN A 117 26.554 9.268 23.568 1.00 18.30 C ATOM 922 CG GLN A 117 27.849 9.260 24.279 1.00 30.10 C ATOM 923 CD GLN A 117 27.903 8.284 25.466 1.00 38.71 C ATOM 924 OE1 GLN A 117 28.644 8.484 26.490 1.00 60.35 O ATOM 925 NE2 GLN A 117 27.092 7.322 25.338 1.00 42.35 N ATOM 926 N ASN A 118 28.732 11.030 21.741 1.00 22.62 N ATOM 927 CA ASN A 118 29.878 11.036 20.799 1.00 31.20 C ATOM 928 C ASN A 118 29.530 11.217 19.316 1.00 37.98 C ATOM 929 O ASN A 118 30.203 10.606 18.443 1.00 42.37 O ATOM 930 CB ASN A 118 30.713 9.729 20.745 1.00 95.90 C ATOM 931 CG ASN A 118 31.268 9.225 22.050 1.00 69.26 C ATOM 932 OD1 ASN A 118 31.371 8.024 22.237 1.00 71.86 O ATOM 933 ND2 ASN A 118 31.631 10.146 23.026 1.00 51.59 N ATOM 934 N ARG A 119 28.544 12.100 19.098 1.00 18.00 N ATOM 935 CA ARG A 119 28.130 12.479 17.733 1.00 45.69 C ATOM 936 C ARG A 119 28.185 14.013 17.707 1.00 38.15 C ATOM 937 O ARG A 119 28.182 14.620 18.802 1.00 34.49 O ATOM 938 CB ARG A 119 26.715 12.057 17.262 1.00 24.50 C ATOM 939 CG ARG A 119 26.567 10.539 17.514 1.00 26.02 C ATOM 940 CD ARG A 119 25.223 10.199 16.915 1.00 31.69 C ATOM 941 NE ARG A 119 24.993 8.746 17.065 1.00 38.09 N ATOM 942 CZ ARG A 119 24.546 8.024 16.009 1.00 37.28 C ATOM 943 NH1 ARG A 119 24.283 6.728 16.234 1.00 45.61 N ATOM 944 NH2 ARG A 119 24.448 8.441 14.762 1.00 33.02 N ATOM 945 N ASP A 120 28.190 14.550 16.492 1.00 48.63 N ATOM 946 CA ASP A 120 28.133 16.002 16.293 1.00 44.71 C ATOM 947 C ASP A 120 26.691 16.398 16.599 1.00 79.55 C ATOM 948 O ASP A 120 25.928 15.921 15.728 1.00 43.90 O ATOM 949 CB ASP A 120 28.609 16.279 14.847 1.00 34.10 C ATOM 950 CG ASP A 120 28.673 17.774 14.650 1.00 74.06 C ATOM 951 OD1 ASP A 120 28.906 18.446 15.640 1.00 59.74 O ATOM 952 OD2 ASP A 120 28.480 18.165 13.533 1.00 65.69 O ATOM 953 N VAL A 121 26.318 17.111 17.664 1.00 31.86 N ATOM 954 CA VAL A 121 24.889 17.447 17.867 1.00 25.61 C ATOM 955 C VAL A 121 24.653 18.936 17.636 1.00 30.59 C ATOM 956 O VAL A 121 23.544 19.458 17.877 1.00 18.82 O ATOM 957 CB VAL A 121 24.474 17.035 19.280 1.00 20.18 C ATOM 958 CG1 VAL A 121 24.461 15.532 19.421 1.00 19.38 C ATOM 959 CG2 VAL A 121 25.270 17.786 20.371 1.00 25.36 C ATOM 960 N ARG A 122 25.635 19.639 17.080 1.00 33.64 N ATOM 961 CA ARG A 122 25.534 21.093 16.878 1.00 53.88 C ATOM 962 C ARG A 122 24.353 21.481 15.992 1.00 32.01 C ATOM 963 O ARG A 122 23.716 22.542 16.132 1.00 26.54 O ATOM 964 CB ARG A 122 26.747 21.667 16.128 1.00 35.29 C ATOM 965 CG ARG A 122 27.970 21.384 17.032 1.00102.42 C ATOM 966 CD ARG A 122 29.042 20.694 16.195 1.00100.57 C ATOM 967 NE ARG A 122 30.315 21.292 16.640 1.00103.94 N ATOM 968 CZ ARG A 122 30.652 21.568 17.924 1.00109.35 C ATOM 969 NH1 ARG A 122 31.363 22.679 18.195 1.00107.35 N ATOM 970 NH2 ARG A 122 30.301 20.726 18.887 1.00109.44 N ATOM 971 N GLN A 123 24.060 20.549 15.088 1.00 24.87 N ATOM 972 CA GLN A 123 22.981 20.768 14.123 1.00 28.31 C ATOM 973 C GLN A 123 21.624 21.065 14.765 1.00 38.49 C ATOM 974 O GLN A 123 20.723 21.707 14.183 1.00 27.85 O ATOM 975 CB GLN A 123 22.982 19.460 13.380 1.00 79.01 C ATOM 976 CG GLN A 123 22.003 18.462 13.820 1.00 56.16 C ATOM 977 CD GLN A 123 22.267 17.028 13.329 1.00 58.37 C ATOM 978 OE1 GLN A 123 21.590 16.666 12.302 1.00 52.58 O ATOM 979 NE2 GLN A 123 23.129 16.360 13.981 1.00 72.00 N ATOM 980 N TYR A 124 21.412 20.544 15.975 1.00 20.63 N ATOM 981 CA TYR A 124 20.081 20.751 16.595 1.00 22.54 C ATOM 982 C TYR A 124 19.879 22.208 17.005 1.00 22.68 C ATOM 983 O TYR A 124 18.675 22.532 17.130 1.00 19.72 O ATOM 984 CB TYR A 124 19.922 19.849 17.834 1.00 18.36 C ATOM 985 CG TYR A 124 20.056 18.378 17.412 1.00 25.95 C ATOM 986 CD1 TYR A 124 18.949 17.813 16.757 1.00 22.71 C ATOM 987 CD2 TYR A 124 21.152 17.586 17.627 1.00 21.45 C ATOM 988 CE1 TYR A 124 18.943 16.407 16.360 1.00 30.03 C ATOM 989 CE2 TYR A 124 21.194 16.223 17.194 1.00 18.83 C ATOM 990 CZ TYR A 124 20.081 15.710 16.519 1.00 21.44 C ATOM 991 OH TYR A 124 20.171 14.377 16.145 1.00 30.48 O ATOM 992 N VAL A 125 20.915 22.997 17.287 1.00 17.26 N ATOM 993 CA VAL A 125 20.670 24.396 17.690 1.00 17.94 C ATOM 994 C VAL A 125 21.076 25.446 16.646 1.00 20.71 C ATOM 995 O VAL A 125 20.956 26.650 16.946 1.00 20.44 O ATOM 996 CB VAL A 125 21.446 24.702 18.961 1.00 18.84 C ATOM 997 CG1 VAL A 125 20.796 23.904 20.110 1.00 18.67 C ATOM 998 CG2 VAL A 125 22.939 24.570 18.837 1.00 26.72 C ATOM 999 N GLN A 126 21.650 24.949 15.558 1.00 19.96 N ATOM 1000 CA GLN A 126 22.063 25.856 14.471 1.00 32.08 C ATOM 1001 C GLN A 126 20.895 26.695 13.945 1.00 18.90 C ATOM 1002 O GLN A 126 19.845 26.164 13.539 1.00 24.75 O ATOM 1003 CB GLN A 126 22.623 24.963 13.392 1.00 75.47 C ATOM 1004 CG GLN A 126 24.008 24.564 13.666 1.00 85.53 C ATOM 1005 CD GLN A 126 24.912 25.378 14.602 1.00103.54 C ATOM 1006 OE1 GLN A 126 25.073 26.648 14.552 1.00104.44 O ATOM 1007 NE2 GLN A 126 25.566 24.728 15.473 1.00 89.14 N ATOM 1008 N GLY A 127 21.172 28.010 13.924 1.00 22.23 N ATOM 1009 CA GLY A 127 20.284 28.992 13.298 1.00 22.08 C ATOM 1010 C GLY A 127 19.255 29.499 14.301 1.00 28.36 C ATOM 1011 O GLY A 127 18.398 30.356 14.002 1.00 21.69 O ATOM 1012 N CYS A 128 19.202 28.976 15.530 1.00 18.64 N ATOM 1013 CA CYS A 128 18.127 29.325 16.478 1.00 25.08 C ATOM 1014 C CYS A 128 18.369 30.567 17.355 1.00 13.27 C ATOM 1015 O CYS A 128 17.372 30.967 18.000 1.00 18.96 O ATOM 1016 CB CYS A 128 17.927 28.152 17.416 1.00 14.84 C ATOM 1017 SG CYS A 128 17.445 26.599 16.501 1.00 16.62 S ATOM 1018 N GLY A 129 19.580 31.141 17.252 1.00 20.69 N ATOM 1019 CA GLY A 129 19.735 32.424 17.969 1.00 24.30 C ATOM 1020 C GLY A 129 19.941 32.139 19.461 1.00 51.76 C ATOM 1021 O GLY A 129 19.504 33.000 20.266 1.00 32.96 O ATOM 1022 N VAL A 130 20.470 30.955 19.807 1.00 27.90 N ATOM 1023 CA VAL A 130 20.726 30.623 21.231 1.00 50.86 C ATOM 1024 C VAL A 130 22.257 30.712 21.379 1.00 31.62 C ATOM 1025 O VAL A 130 23.062 29.801 21.094 1.00 47.61 O ATOM 1026 CB VAL A 130 20.068 29.292 21.635 1.00 27.51 C ATOM 1027 CG1 VAL A 130 18.526 29.495 21.726 1.00 19.60 C ATOM 1028 CG2 VAL A 130 20.462 28.108 20.770 1.00 23.85 C ATOM 1029 OXT VAL A 130 22.746 31.822 21.655 1.00105.63 O TER 1030 VAL A 130 CONECT 53 1017 CONECT 243 916 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 916 243 CONECT 1017 53 MASTER 365 0 0 5 5 18 2 6 1029 1 8 10 END