HEADER HYDROLASE(O-GLYCOSYL) 20-MAR-92 6LYT TITLE COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE TITLE 2 REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME TITLE 3 CRYSTALS AT LOW AND AMBIENT TEMPERATURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031 KEYWDS HYDROLASE(O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR J.C.DEWAN,A.C.M.YOUNG,R.F.TILTON REVDAT 2 24-FEB-09 6LYT 1 VERSN REVDAT 1 31-OCT-93 6LYT 0 JRNL AUTH A.C.M.YOUNG,J.C.DEWAN,C.NAVE,R.F.TILTON JRNL TITL COMPARISON OF RADIATION-INDUCED DECAY AND JRNL TITL 2 STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED JRNL TITL 3 FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT JRNL TITL 4 TEMPERATURES JRNL REF J.APPL.CRYSTALLOGR. V. 26 309 1993 JRNL REFN ISSN 0021-8898 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.R.BEDDELL,C.C.F.BLAKE,S.J.OATLEY REMARK 1 TITL AN X-RAY STUDY OF THE STRUCTURE AND BINDING REMARK 1 TITL 2 PROPERTIES OF IODINE-INACTIVATED LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 97 643 1975 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.DIAMOND REMARK 1 TITL REAL-SPACE REFINEMENT OF THE STRUCTURE OF HEN REMARK 1 TITL 2 EGG-WHITE LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 82 371 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.C.PHILLIPS REMARK 1 TITL CRYSTALLOGRAPHIC STUDIES OF LYSOZYME AND ITS REMARK 1 TITL 2 INTERACTIONS WITH INHIBITORS AND SUBSTRATES REMARK 1 EDIT E.F.OSSERMAN, R.F.CANFIELD, S.BEYCHOK REMARK 1 REF LYSOZYME 9 1974 REMARK 1 PUBL ACADEMIC PRESS,NEW YORK REMARK 1 REFN REMARK 1 REFERENCE 4 REMARK 1 AUTH T.IMOTO,L.N.JOHNSON,A.C.T.NORTH,D.C.PHILLIPS, REMARK 1 AUTH 2 J.A.RUPLEY REMARK 1 TITL VERTEBRATE LYSOZYMES REMARK 1 EDIT P.BOYER REMARK 1 REF THE ENZYMES,THIRD EDITION V. 7 665 1972 REMARK 1 PUBL ACADEMIC PRESS,NEW YORK REMARK 1 REFN REMARK 1 REFERENCE 5 REMARK 1 AUTH M.LEVITT REMARK 1 TITL ENERGY REFINEMENT OF HEN EGG-WHITE LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 82 393 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 6 REMARK 1 AUTH L.O.FORD,L.N.JOHNSON,P.A.MACHIN,D.C.PHILLIPS, REMARK 1 AUTH 2 R.TJIAN REMARK 1 TITL CRYSTAL STRUCTURE OF A LYSOZYME-TETRASACCHARIDE REMARK 1 TITL 2 LACTONE COMPLEX REMARK 1 REF J.MOL.BIOL. V. 88 349 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 7 REMARK 1 AUTH C.C.F.BLAKE,G.A.MAIR,A.C.T.NORTH,D.C.PHILLIPS, REMARK 1 AUTH 2 V.R.SARMA REMARK 1 TITL ON THE CONFORMATION OF THE HEN EGG-WHITE LYSOZYME REMARK 1 TITL 2 MOLECULE REMARK 1 REF PROC.R.SOC.LONDON,SER.B V. 167 365 1967 REMARK 1 REFN ISSN 0080-4649 REMARK 1 REFERENCE 8 REMARK 1 AUTH C.C.F.BLAKE,L.N.JOHNSON,G.A.MAIR,A.C.T.NORTH, REMARK 1 AUTH 2 D.C.PHILLIPS,V.R.SARMA REMARK 1 TITL CRYSTALLOGRAPHIC STUDIES OF THE ACTIVITY OF HEN REMARK 1 TITL 2 EGG-WHITE LYSOZYME REMARK 1 REF PROC.R.SOC.LONDON,SER.B V. 167 378 1967 REMARK 1 REFN ISSN 0080-4649 REMARK 1 REFERENCE 9 REMARK 1 AUTH D.C.PHILLIPS REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF AN ENZYME REMARK 1 TITL 2 MOLECULE REMARK 1 REF SCI.AM. V. 215 78 1966 REMARK 1 REFN ISSN 0036-8733 REMARK 1 REFERENCE 10 REMARK 1 AUTH C.C.F.BLAKE,D.F.KOENIG,G.A.MAIR,A.C.T.NORTH, REMARK 1 AUTH 2 D.C.PHILLIPS,V.R.SARMA REMARK 1 TITL STRUCTURE OF HEN EGG-WHITE LYSOZYME, A REMARK 1 TITL 2 THREE-DIMENSIONAL FOURIER SYNTHESIS AT 2 ANGSTROMS REMARK 1 TITL 3 RESOLUTION REMARK 1 REF NATURE V. 206 757 1965 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 11 REMARK 1 AUTH L.N.JOHNSON,D.C.PHILLIPS REMARK 1 TITL STRUCTURE OF SOME CRYSTALLINE LYSOZYME-INHIBITOR REMARK 1 TITL 2 COMPLEXES DETERMINED BY X-RAY ANALYSIS AT 6 REMARK 1 TITL 3 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 206 761 1965 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 12 REMARK 1 EDIT R.J.FELDMANN REMARK 1 REF ATLAS OF MACROMOLECULAR 492 1976 REMARK 1 REF 2 STRUCTURE ON MICROFICHE REMARK 1 PUBL TRACOR JITCO INC.,ROCKVILLE,MD. REMARK 1 REFN REMARK 1 REFERENCE 13 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 138 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN REMARK 2 REMARK 2 RESOLUTION. 1.90 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) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL 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) : 0.173 REMARK 3 R VALUE (WORKING SET) : NULL 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 100 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) : 0.019 ; 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 6LYT 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 (%): 40.85 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 19.01000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.59500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.59500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.51500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.59500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.59500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.50500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.59500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.59500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.51500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.59500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.59500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.50500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 19.01000 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 IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O SER A 60 O HOH A 136 2.13 REMARK 500 O CYS A 64 O HOH A 136 2.18 REMARK 500 REMARK 500 REMARK: NULL 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 O HOH A 185 O HOH A 185 7648 0.88 REMARK 500 O HOH A 226 O HOH A 226 8667 1.58 REMARK 500 O HOH A 222 O HOH A 222 7647 1.71 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 GLU A 7 CD GLU A 7 OE1 -0.088 REMARK 500 GLU A 7 CD GLU A 7 OE2 0.070 REMARK 500 GLY A 71 N GLY A 71 CA 0.125 REMARK 500 ARG A 112 CZ ARG A 112 NH2 0.085 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 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 ARG A 14 CD - NE - CZ ANGL. DEV. = -11.2 DEGREES REMARK 500 ARG A 14 NH1 - CZ - NH2 ANGL. DEV. = 6.7 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.5 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 15.1 DEGREES REMARK 500 ASP A 18 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 TYR A 20 CD1 - CE1 - CZ ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ARG A 45 CD - NE - CZ ANGL. DEV. = 21.5 DEGREES REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 10.7 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ASP A 48 CB - CG - OD1 ANGL. DEV. = 6.9 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 8.4 DEGREES REMARK 500 ARG A 61 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = -4.9 DEGREES REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = 5.0 DEGREES REMARK 500 ARG A 73 NE - CZ - NH1 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.7 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 68 15.21 -142.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 203 DISTANCE = 9.00 ANGSTROMS REMARK 525 HOH A 216 DISTANCE = 7.13 ANGSTROMS REMARK 525 HOH A 222 DISTANCE = 11.05 ANGSTROMS REMARK 525 HOH A 227 DISTANCE = 6.31 ANGSTROMS DBREF 6LYT A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *100(H2 O) HELIX 1 A ARG A 5 HIS A 15 1 11 HELIX 2 B LEU A 25 GLU A 35 1 11 HELIX 3 C CYS A 80 LEU A 84 5 5 HELIX 4 D THR A 89 LYS A 96 1 8 SHEET 1 S1 2 LYS A 1 PHE A 3 0 SHEET 2 S1 2 PHE A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 S2 3 ALA A 42 ASN A 46 0 SHEET 2 S2 3 SER A 50 GLY A 54 -1 O SER A 50 N ASN A 46 SHEET 3 S2 3 GLN A 57 SER A 60 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.98 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.13 SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.98 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.01 CRYST1 79.190 79.190 38.020 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012628 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012628 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026302 0.00000 ATOM 1 N LYS A 1 82.437 10.136 48.361 1.00 12.26 N ATOM 2 CA LYS A 1 81.487 10.532 47.221 1.00 13.25 C ATOM 3 C LYS A 1 81.566 12.037 47.031 1.00 12.72 C ATOM 4 O LYS A 1 81.566 12.829 47.981 1.00 12.54 O ATOM 5 CB LYS A 1 80.061 10.136 47.449 1.00 13.37 C ATOM 6 CG LYS A 1 78.952 10.611 46.536 1.00 14.40 C ATOM 7 CD LYS A 1 77.685 9.978 46.917 1.00 17.49 C ATOM 8 CE LYS A 1 76.498 10.295 45.966 1.00 18.79 C ATOM 9 NZ LYS A 1 77.210 10.532 44.635 1.00 22.08 N ATOM 10 N VAL A 2 81.566 12.433 45.776 1.00 12.73 N ATOM 11 CA VAL A 2 81.566 13.858 45.320 1.00 13.66 C ATOM 12 C VAL A 2 80.061 14.096 44.826 1.00 14.52 C ATOM 13 O VAL A 2 79.665 13.541 43.761 1.00 15.81 O ATOM 14 CB VAL A 2 82.595 14.175 44.293 1.00 13.55 C ATOM 15 CG1 VAL A 2 82.595 15.680 43.837 1.00 13.65 C ATOM 16 CG2 VAL A 2 84.021 13.937 44.788 1.00 12.59 C ATOM 17 N PHE A 3 79.348 14.809 45.624 1.00 13.80 N ATOM 18 CA PHE A 3 78.002 15.125 45.282 1.00 13.62 C ATOM 19 C PHE A 3 77.923 16.234 44.217 1.00 14.45 C ATOM 20 O PHE A 3 78.794 17.026 44.103 1.00 15.24 O ATOM 21 CB PHE A 3 77.210 15.600 46.536 1.00 13.49 C ATOM 22 CG PHE A 3 76.656 14.571 47.449 1.00 12.60 C ATOM 23 CD1 PHE A 3 77.448 14.017 48.476 1.00 12.25 C ATOM 24 CD2 PHE A 3 75.389 14.175 47.297 1.00 12.81 C ATOM 25 CE1 PHE A 3 76.893 13.146 49.350 1.00 12.41 C ATOM 26 CE2 PHE A 3 74.835 13.225 48.171 1.00 13.05 C ATOM 27 CZ PHE A 3 75.547 12.670 49.198 1.00 12.47 C ATOM 28 N GLY A 4 76.814 16.155 43.419 1.00 14.95 N ATOM 29 CA GLY A 4 76.577 17.263 42.430 1.00 15.08 C ATOM 30 C GLY A 4 75.785 18.214 43.305 1.00 14.82 C ATOM 31 O GLY A 4 75.310 17.818 44.369 1.00 15.52 O ATOM 32 N ARG A 5 75.626 19.402 42.849 1.00 15.35 N ATOM 33 CA ARG A 5 74.914 20.510 43.609 1.00 15.49 C ATOM 34 C ARG A 5 73.488 20.193 44.027 1.00 15.56 C ATOM 35 O ARG A 5 73.092 20.273 45.206 1.00 15.22 O ATOM 36 CB ARG A 5 74.914 21.698 42.696 1.00 16.11 C ATOM 37 CG ARG A 5 74.359 22.965 43.457 1.00 16.09 C ATOM 38 CD ARG A 5 74.755 24.153 42.696 1.00 16.10 C ATOM 39 NE ARG A 5 74.201 24.232 41.366 1.00 16.96 N ATOM 40 CZ ARG A 5 72.934 24.391 41.024 1.00 18.56 C ATOM 41 NH1 ARG A 5 71.905 24.628 41.898 1.00 17.71 N ATOM 42 NH2 ARG A 5 72.617 24.391 39.731 1.00 18.97 N ATOM 43 N CYS A 6 72.696 19.797 43.001 1.00 15.07 N ATOM 44 CA CYS A 6 71.271 19.481 43.153 1.00 14.15 C ATOM 45 C CYS A 6 71.033 18.214 43.913 1.00 13.31 C ATOM 46 O CYS A 6 70.083 18.055 44.674 1.00 14.14 O ATOM 47 CB CYS A 6 70.637 19.560 41.746 1.00 14.03 C ATOM 48 SG CYS A 6 70.558 21.223 41.062 1.00 15.69 S ATOM 49 N GLU A 7 71.905 17.263 43.685 1.00 13.44 N ATOM 50 CA GLU A 7 71.905 15.996 44.369 1.00 13.82 C ATOM 51 C GLU A 7 71.984 16.155 45.852 1.00 13.41 C ATOM 52 O GLU A 7 71.192 15.521 46.651 1.00 14.06 O ATOM 53 CB GLU A 7 73.013 15.125 43.875 1.00 14.51 C ATOM 54 CG GLU A 7 73.092 13.779 44.521 1.00 16.28 C ATOM 55 CD GLU A 7 74.280 12.987 43.951 1.00 16.51 C ATOM 56 OE1 GLU A 7 75.151 13.462 43.343 1.00 17.29 O ATOM 57 OE2 GLU A 7 74.122 11.720 44.293 1.00 19.09 O ATOM 58 N LEU A 8 72.934 16.867 46.308 1.00 13.11 N ATOM 59 CA LEU A 8 73.251 17.184 47.715 1.00 13.01 C ATOM 60 C LEU A 8 72.063 17.976 48.361 1.00 12.70 C ATOM 61 O LEU A 8 71.667 17.659 49.502 1.00 13.42 O ATOM 62 CB LEU A 8 74.597 17.976 47.867 1.00 13.35 C ATOM 63 CG LEU A 8 74.835 18.451 49.312 1.00 13.18 C ATOM 64 CD1 LEU A 8 75.072 17.184 50.110 1.00 14.14 C ATOM 65 CD2 LEU A 8 76.022 19.402 49.426 1.00 12.44 C ATOM 66 N ALA A 9 71.588 19.006 47.715 1.00 12.02 N ATOM 67 CA ALA A 9 70.479 19.797 48.133 1.00 12.07 C ATOM 68 C ALA A 9 69.212 18.847 48.399 1.00 11.80 C ATOM 69 O ALA A 9 68.499 19.006 49.388 1.00 12.92 O ATOM 70 CB ALA A 9 70.162 20.827 47.069 1.00 11.30 C ATOM 71 N ALA A 10 69.054 17.897 47.525 1.00 12.44 N ATOM 72 CA ALA A 10 67.945 16.947 47.601 1.00 12.89 C ATOM 73 C ALA A 10 68.183 15.996 48.780 1.00 13.46 C ATOM 74 O ALA A 10 67.153 15.759 49.502 1.00 14.11 O ATOM 75 CB ALA A 10 67.866 16.234 46.270 1.00 13.27 C ATOM 76 N ALA A 11 69.370 15.600 49.046 1.00 12.94 N ATOM 77 CA ALA A 11 69.608 14.729 50.224 1.00 12.45 C ATOM 78 C ALA A 11 69.450 15.521 51.517 1.00 12.77 C ATOM 79 O ALA A 11 68.974 14.967 52.506 1.00 13.11 O ATOM 80 CB ALA A 11 71.033 14.175 50.072 1.00 12.73 C ATOM 81 N MET A 12 69.925 16.709 51.555 1.00 13.45 N ATOM 82 CA MET A 12 69.925 17.659 52.696 1.00 13.50 C ATOM 83 C MET A 12 68.420 17.976 53.076 1.00 14.75 C ATOM 84 O MET A 12 68.103 17.976 54.293 1.00 14.72 O ATOM 85 CB MET A 12 70.717 18.926 52.430 1.00 11.78 C ATOM 86 CG MET A 12 72.221 18.768 52.772 1.00 10.61 C ATOM 87 SD MET A 12 73.092 20.273 52.354 1.00 12.70 S ATOM 88 CE MET A 12 74.597 19.956 53.228 1.00 7.69 C ATOM 89 N LYS A 13 67.628 18.214 52.087 1.00 15.97 N ATOM 90 CA LYS A 13 66.203 18.530 52.278 1.00 17.39 C ATOM 91 C LYS A 13 65.490 17.343 52.886 1.00 17.94 C ATOM 92 O LYS A 13 64.698 17.501 53.836 1.00 17.98 O ATOM 93 CB LYS A 13 65.569 19.006 50.985 1.00 18.50 C ATOM 94 CG LYS A 13 64.065 19.243 51.137 1.00 21.49 C ATOM 95 CD LYS A 13 63.352 19.718 49.844 1.00 22.77 C ATOM 96 CE LYS A 13 61.847 19.797 50.110 1.00 24.23 C ATOM 97 NZ LYS A 13 61.531 18.530 50.909 1.00 24.20 N ATOM 98 N ARG A 14 65.728 16.155 52.430 1.00 18.92 N ATOM 99 CA ARG A 14 65.173 14.888 52.962 1.00 18.80 C ATOM 100 C ARG A 14 65.569 14.650 54.407 1.00 18.54 C ATOM 101 O ARG A 14 64.857 14.017 55.205 1.00 17.96 O ATOM 102 CB ARG A 14 65.569 13.621 52.125 1.00 20.71 C ATOM 103 CG ARG A 14 64.619 12.512 52.316 1.00 24.32 C ATOM 104 CD ARG A 14 65.094 11.166 52.239 1.00 26.57 C ATOM 105 NE ARG A 14 66.361 11.007 51.517 1.00 29.45 N ATOM 106 CZ ARG A 14 67.153 9.978 52.049 1.00 29.51 C ATOM 107 NH1 ARG A 14 66.599 9.265 53.000 1.00 29.24 N ATOM 108 NH2 ARG A 14 68.420 9.820 51.555 1.00 29.99 N ATOM 109 N HIS A 15 66.836 15.046 54.711 1.00 18.46 N ATOM 110 CA HIS A 15 67.391 14.888 56.080 1.00 18.17 C ATOM 111 C HIS A 15 66.916 15.996 56.992 1.00 17.97 C ATOM 112 O HIS A 15 67.391 16.076 58.133 1.00 18.68 O ATOM 113 CB HIS A 15 68.895 14.650 56.003 1.00 17.64 C ATOM 114 CG HIS A 15 69.291 13.225 55.585 1.00 17.33 C ATOM 115 ND1 HIS A 15 69.529 12.908 54.255 1.00 17.20 N ATOM 116 CD2 HIS A 15 69.529 12.116 56.346 1.00 16.41 C ATOM 117 CE1 HIS A 15 69.846 11.641 54.255 1.00 15.85 C ATOM 118 NE2 HIS A 15 69.846 11.166 55.471 1.00 16.69 N ATOM 119 N GLY A 16 65.965 16.867 56.536 1.00 18.32 N ATOM 120 CA GLY A 16 65.411 17.897 57.296 1.00 18.30 C ATOM 121 C GLY A 16 66.203 19.164 57.600 1.00 19.07 C ATOM 122 O GLY A 16 65.965 19.797 58.627 1.00 19.78 O ATOM 123 N LEU A 17 67.074 19.560 56.688 1.00 19.31 N ATOM 124 CA LEU A 17 67.866 20.748 56.878 1.00 19.39 C ATOM 125 C LEU A 17 67.232 22.015 56.346 1.00 19.39 C ATOM 126 O LEU A 17 67.628 23.123 56.878 1.00 19.90 O ATOM 127 CB LEU A 17 69.291 20.589 56.308 1.00 18.33 C ATOM 128 CG LEU A 17 70.242 19.877 57.220 1.00 18.32 C ATOM 129 CD1 LEU A 17 71.588 19.877 56.498 1.00 17.57 C ATOM 130 CD2 LEU A 17 70.400 20.352 58.627 1.00 17.73 C ATOM 131 N ASP A 18 66.440 22.015 55.281 1.00 19.76 N ATOM 132 CA ASP A 18 65.807 23.203 54.749 1.00 19.89 C ATOM 133 C ASP A 18 65.094 23.915 55.927 1.00 19.81 C ATOM 134 O ASP A 18 64.223 23.282 56.650 1.00 20.33 O ATOM 135 CB ASP A 18 64.936 23.044 53.532 1.00 20.89 C ATOM 136 CG ASP A 18 64.381 24.311 52.848 1.00 21.61 C ATOM 137 OD1 ASP A 18 64.698 25.499 52.886 1.00 20.11 O ATOM 138 OD2 ASP A 18 63.352 24.074 52.125 1.00 23.17 O ATOM 139 N ASN A 19 65.490 25.103 56.156 1.00 18.28 N ATOM 140 CA ASN A 19 65.094 26.054 57.144 1.00 17.55 C ATOM 141 C ASN A 19 65.253 25.499 58.551 1.00 16.46 C ATOM 142 O ASN A 19 64.619 25.895 59.501 1.00 16.29 O ATOM 143 CB ASN A 19 63.748 26.766 56.802 1.00 21.36 C ATOM 144 CG ASN A 19 63.906 28.112 57.410 1.00 23.93 C ATOM 145 OD1 ASN A 19 64.540 29.063 56.840 1.00 24.64 O ATOM 146 ND2 ASN A 19 63.352 28.192 58.665 1.00 25.52 N ATOM 147 N TYR A 20 66.282 24.549 58.741 1.00 15.66 N ATOM 148 CA TYR A 20 66.599 24.074 60.072 1.00 14.64 C ATOM 149 C TYR A 20 67.232 25.182 60.870 1.00 14.85 C ATOM 150 O TYR A 20 68.183 25.816 60.376 1.00 14.41 O ATOM 151 CB TYR A 20 67.549 22.886 60.034 1.00 13.06 C ATOM 152 CG TYR A 20 67.707 22.252 61.440 1.00 13.57 C ATOM 153 CD1 TYR A 20 66.757 21.381 61.935 1.00 13.87 C ATOM 154 CD2 TYR A 20 68.737 22.648 62.277 1.00 13.06 C ATOM 155 CE1 TYR A 20 66.757 20.827 63.227 1.00 14.46 C ATOM 156 CE2 TYR A 20 68.816 22.173 63.569 1.00 13.04 C ATOM 157 CZ TYR A 20 67.866 21.223 64.026 1.00 14.02 C ATOM 158 OH TYR A 20 68.024 20.827 65.280 1.00 15.06 O ATOM 159 N ARG A 21 66.678 25.499 62.011 1.00 15.04 N ATOM 160 CA ARG A 21 66.995 26.608 62.923 1.00 15.15 C ATOM 161 C ARG A 21 66.995 27.875 62.125 1.00 14.42 C ATOM 162 O ARG A 21 67.787 28.825 62.391 1.00 14.51 O ATOM 163 CB ARG A 21 68.341 26.370 63.684 1.00 17.43 C ATOM 164 CG ARG A 21 68.183 26.449 65.242 1.00 21.52 C ATOM 165 CD ARG A 21 69.450 27.162 65.737 1.00 25.24 C ATOM 166 NE ARG A 21 69.450 27.637 67.105 1.00 27.10 N ATOM 167 CZ ARG A 21 70.479 28.271 67.714 1.00 28.00 C ATOM 168 NH1 ARG A 21 71.667 28.588 67.143 1.00 26.02 N ATOM 169 NH2 ARG A 21 70.321 28.667 69.044 1.00 28.02 N ATOM 170 N GLY A 22 66.124 28.033 61.174 1.00 13.86 N ATOM 171 CA GLY A 22 65.886 29.221 60.338 1.00 12.02 C ATOM 172 C GLY A 22 66.836 29.379 59.159 1.00 11.36 C ATOM 173 O GLY A 22 66.836 30.409 58.475 1.00 12.54 O ATOM 174 N TYR A 23 67.707 28.429 58.855 1.00 10.96 N ATOM 175 CA TYR A 23 68.737 28.508 57.752 1.00 9.32 C ATOM 176 C TYR A 23 68.183 27.796 56.536 1.00 9.34 C ATOM 177 O TYR A 23 68.024 26.529 56.498 1.00 10.83 O ATOM 178 CB TYR A 23 70.083 27.875 58.247 1.00 7.56 C ATOM 179 CG TYR A 23 70.796 28.746 59.235 1.00 4.42 C ATOM 180 CD1 TYR A 23 71.588 29.775 58.817 1.00 4.33 C ATOM 181 CD2 TYR A 23 70.637 28.508 60.604 1.00 4.86 C ATOM 182 CE1 TYR A 23 72.300 30.567 59.767 1.00 5.68 C ATOM 183 CE2 TYR A 23 71.271 29.300 61.554 1.00 5.87 C ATOM 184 CZ TYR A 23 72.063 30.330 61.098 1.00 5.84 C ATOM 185 OH TYR A 23 72.696 31.122 62.087 1.00 9.09 O ATOM 186 N SER A 24 67.945 28.508 55.509 1.00 10.35 N ATOM 187 CA SER A 24 67.391 27.954 54.217 1.00 10.33 C ATOM 188 C SER A 24 68.420 27.004 53.646 1.00 10.63 C ATOM 189 O SER A 24 69.608 27.083 53.950 1.00 9.72 O ATOM 190 CB SER A 24 66.995 29.142 53.304 1.00 10.62 C ATOM 191 OG SER A 24 68.103 29.934 53.000 1.00 13.53 O ATOM 192 N LEU A 25 67.866 26.133 52.772 1.00 11.01 N ATOM 193 CA LEU A 25 68.658 25.182 52.087 1.00 10.85 C ATOM 194 C LEU A 25 69.925 25.737 51.403 1.00 10.47 C ATOM 195 O LEU A 25 70.954 25.024 51.479 1.00 9.84 O ATOM 196 CB LEU A 25 67.787 24.470 51.023 1.00 12.07 C ATOM 197 CG LEU A 25 67.707 22.965 50.947 1.00 12.86 C ATOM 198 CD1 LEU A 25 67.312 22.569 49.578 1.00 13.15 C ATOM 199 CD2 LEU A 25 68.895 22.252 51.365 1.00 12.17 C ATOM 200 N GLY A 26 69.766 26.845 50.757 1.00 9.95 N ATOM 201 CA GLY A 26 70.875 27.479 50.072 1.00 9.15 C ATOM 202 C GLY A 26 72.063 27.716 51.023 1.00 9.58 C ATOM 203 O GLY A 26 73.251 27.637 50.529 1.00 10.13 O ATOM 204 N ASN A 27 71.905 27.954 52.278 1.00 8.44 N ATOM 205 CA ASN A 27 73.013 28.192 53.228 1.00 9.04 C ATOM 206 C ASN A 27 73.884 26.925 53.380 1.00 9.04 C ATOM 207 O ASN A 27 75.072 27.004 53.380 1.00 7.93 O ATOM 208 CB ASN A 27 72.459 28.746 54.559 1.00 8.09 C ATOM 209 CG ASN A 27 71.984 30.171 54.521 1.00 8.11 C ATOM 210 OD1 ASN A 27 70.717 30.330 54.483 1.00 9.55 O ATOM 211 ND2 ASN A 27 72.855 31.122 54.521 1.00 6.26 N ATOM 212 N TRP A 28 73.172 25.816 53.570 1.00 9.10 N ATOM 213 CA TRP A 28 73.805 24.549 53.798 1.00 8.28 C ATOM 214 C TRP A 28 74.597 24.074 52.620 1.00 8.12 C ATOM 215 O TRP A 28 75.706 23.440 52.772 1.00 8.51 O ATOM 216 CB TRP A 28 72.776 23.440 54.255 1.00 8.18 C ATOM 217 CG TRP A 28 72.063 23.836 55.471 1.00 6.67 C ATOM 218 CD1 TRP A 28 70.875 24.391 55.623 1.00 8.02 C ATOM 219 CD2 TRP A 28 72.538 23.599 56.840 1.00 8.16 C ATOM 220 NE1 TRP A 28 70.558 24.549 56.954 1.00 7.59 N ATOM 221 CE2 TRP A 28 71.588 24.153 57.714 1.00 7.27 C ATOM 222 CE3 TRP A 28 73.726 23.044 57.334 1.00 7.05 C ATOM 223 CZ2 TRP A 28 71.746 24.074 59.083 1.00 7.45 C ATOM 224 CZ3 TRP A 28 73.884 23.044 58.703 1.00 8.24 C ATOM 225 CH2 TRP A 28 72.855 23.519 59.577 1.00 8.80 C ATOM 226 N VAL A 29 73.963 24.232 51.441 1.00 8.31 N ATOM 227 CA VAL A 29 74.676 23.836 50.148 1.00 7.99 C ATOM 228 C VAL A 29 75.864 24.707 49.882 1.00 7.84 C ATOM 229 O VAL A 29 76.893 24.153 49.540 1.00 7.87 O ATOM 230 CB VAL A 29 73.647 23.757 48.970 1.00 8.95 C ATOM 231 CG1 VAL A 29 74.359 23.519 47.601 1.00 8.64 C ATOM 232 CG2 VAL A 29 72.617 22.728 49.198 1.00 7.74 C ATOM 233 N CYS A 30 75.785 25.974 50.148 1.00 7.88 N ATOM 234 CA CYS A 30 76.893 26.925 49.958 1.00 7.19 C ATOM 235 C CYS A 30 78.002 26.529 50.909 1.00 7.57 C ATOM 236 O CYS A 30 79.190 26.449 50.567 1.00 7.70 O ATOM 237 CB CYS A 30 76.418 28.350 50.224 1.00 7.16 C ATOM 238 SG CYS A 30 77.685 29.696 50.072 1.00 9.30 S ATOM 239 N ALA A 31 77.606 26.212 52.163 1.00 8.07 N ATOM 240 CA ALA A 31 78.556 25.816 53.228 1.00 9.84 C ATOM 241 C ALA A 31 79.348 24.549 52.810 1.00 9.51 C ATOM 242 O ALA A 31 80.615 24.549 52.886 1.00 10.36 O ATOM 243 CB ALA A 31 77.765 25.578 54.521 1.00 9.94 C ATOM 244 N ALA A 32 78.636 23.519 52.354 1.00 9.29 N ATOM 245 CA ALA A 32 79.269 22.252 51.897 1.00 8.84 C ATOM 246 C ALA A 32 80.219 22.569 50.719 1.00 9.13 C ATOM 247 O ALA A 32 81.328 22.094 50.681 1.00 8.69 O ATOM 248 CB ALA A 32 78.319 21.144 51.555 1.00 8.59 C ATOM 249 N LYS A 33 79.744 23.440 49.844 1.00 9.16 N ATOM 250 CA LYS A 33 80.615 23.836 48.666 1.00 10.92 C ATOM 251 C LYS A 33 81.962 24.311 49.084 1.00 11.02 C ATOM 252 O LYS A 33 82.991 23.836 48.628 1.00 11.77 O ATOM 253 CB LYS A 33 79.903 25.024 47.867 1.00 11.33 C ATOM 254 CG LYS A 33 80.853 25.420 46.689 1.00 13.45 C ATOM 255 CD LYS A 33 80.774 24.470 45.548 1.00 15.47 C ATOM 256 CE LYS A 33 82.120 24.232 44.864 1.00 17.52 C ATOM 257 NZ LYS A 33 82.674 25.578 44.521 1.00 19.44 N ATOM 258 N PHE A 34 81.962 25.420 49.920 1.00 10.66 N ATOM 259 CA PHE A 34 83.149 26.054 50.415 1.00 10.47 C ATOM 260 C PHE A 34 83.862 25.262 51.479 1.00 10.62 C ATOM 261 O PHE A 34 85.050 25.578 51.593 1.00 10.74 O ATOM 262 CB PHE A 34 82.912 27.558 50.757 1.00 10.14 C ATOM 263 CG PHE A 34 82.437 28.271 49.464 1.00 9.81 C ATOM 264 CD1 PHE A 34 83.229 28.112 48.323 1.00 10.57 C ATOM 265 CD2 PHE A 34 81.328 28.984 49.464 1.00 10.43 C ATOM 266 CE1 PHE A 34 82.833 28.746 47.145 1.00 9.68 C ATOM 267 CE2 PHE A 34 80.853 29.617 48.323 1.00 11.07 C ATOM 268 CZ PHE A 34 81.645 29.538 47.145 1.00 10.80 C ATOM 269 N GLU A 35 83.308 24.391 52.201 1.00 10.41 N ATOM 270 CA GLU A 35 84.021 23.599 53.228 1.00 10.22 C ATOM 271 C GLU A 35 84.733 22.411 52.658 1.00 10.20 C ATOM 272 O GLU A 35 85.842 22.094 53.076 1.00 9.77 O ATOM 273 CB GLU A 35 83.070 23.123 54.369 1.00 9.83 C ATOM 274 CG GLU A 35 82.595 24.232 55.319 1.00 11.49 C ATOM 275 CD GLU A 35 83.625 24.707 56.270 1.00 12.48 C ATOM 276 OE1 GLU A 35 84.654 24.074 56.346 1.00 13.35 O ATOM 277 OE2 GLU A 35 83.387 25.816 56.878 1.00 12.57 O ATOM 278 N SER A 36 84.100 21.619 51.783 1.00 10.45 N ATOM 279 CA SER A 36 84.654 20.431 51.213 1.00 10.42 C ATOM 280 C SER A 36 84.575 20.193 49.730 1.00 10.40 C ATOM 281 O SER A 36 85.050 19.164 49.274 1.00 9.86 O ATOM 282 CB SER A 36 83.862 19.243 51.897 1.00 11.02 C ATOM 283 OG SER A 36 82.516 19.164 51.327 1.00 12.18 O ATOM 284 N ASN A 37 83.941 21.144 49.008 1.00 10.66 N ATOM 285 CA ASN A 37 83.783 21.065 47.563 1.00 11.41 C ATOM 286 C ASN A 37 82.833 19.877 47.221 1.00 10.83 C ATOM 287 O ASN A 37 82.991 19.243 46.194 1.00 11.23 O ATOM 288 CB ASN A 37 85.129 20.985 46.879 1.00 14.45 C ATOM 289 CG ASN A 37 85.129 21.460 45.434 1.00 16.70 C ATOM 290 OD1 ASN A 37 84.654 22.490 45.092 1.00 20.67 O ATOM 291 ND2 ASN A 37 85.684 20.589 44.559 1.00 18.45 N ATOM 292 N PHE A 38 81.962 19.560 48.133 1.00 9.63 N ATOM 293 CA PHE A 38 80.932 18.530 47.981 1.00 9.92 C ATOM 294 C PHE A 38 81.566 17.105 48.095 1.00 10.23 C ATOM 295 O PHE A 38 80.932 16.155 47.677 1.00 9.16 O ATOM 296 CB PHE A 38 80.140 18.689 46.689 1.00 9.74 C ATOM 297 CG PHE A 38 79.348 19.956 46.536 1.00 9.88 C ATOM 298 CD1 PHE A 38 78.794 20.669 47.601 1.00 9.54 C ATOM 299 CD2 PHE A 38 79.190 20.510 45.244 1.00 10.15 C ATOM 300 CE1 PHE A 38 78.081 21.856 47.411 1.00 10.94 C ATOM 301 CE2 PHE A 38 78.477 21.698 45.016 1.00 10.67 C ATOM 302 CZ PHE A 38 77.923 22.411 46.118 1.00 11.22 C ATOM 303 N ASN A 39 82.754 17.026 48.666 1.00 10.17 N ATOM 304 CA ASN A 39 83.466 15.680 48.856 1.00 10.51 C ATOM 305 C ASN A 39 83.308 15.204 50.300 1.00 10.12 C ATOM 306 O ASN A 39 83.783 15.917 51.213 1.00 10.63 O ATOM 307 CB ASN A 39 84.892 15.917 48.399 1.00 11.40 C ATOM 308 CG ASN A 39 85.763 14.650 48.437 1.00 11.87 C ATOM 309 OD1 ASN A 39 86.951 14.650 48.209 1.00 13.38 O ATOM 310 ND2 ASN A 39 85.129 13.462 48.704 1.00 11.53 N ATOM 311 N THR A 40 82.674 14.096 50.415 1.00 9.96 N ATOM 312 CA THR A 40 82.437 13.462 51.707 1.00 10.12 C ATOM 313 C THR A 40 83.704 12.987 52.392 1.00 10.25 C ATOM 314 O THR A 40 83.783 12.829 53.608 1.00 10.65 O ATOM 315 CB THR A 40 81.407 12.274 51.707 1.00 10.21 C ATOM 316 OG1 THR A 40 82.041 11.245 50.947 1.00 11.67 O ATOM 317 CG2 THR A 40 80.061 12.591 51.213 1.00 10.03 C ATOM 318 N GLN A 41 84.733 12.750 51.593 1.00 10.64 N ATOM 319 CA GLN A 41 86.000 12.274 52.125 1.00 10.33 C ATOM 320 C GLN A 41 87.030 13.304 52.468 1.00 9.75 C ATOM 321 O GLN A 41 88.218 12.987 52.810 1.00 9.43 O ATOM 322 CB GLN A 41 86.555 11.245 51.099 1.00 10.99 C ATOM 323 CG GLN A 41 85.842 9.978 50.985 1.00 10.72 C ATOM 324 CD GLN A 41 86.713 8.869 50.377 1.00 10.37 C ATOM 325 OE1 GLN A 41 87.584 8.315 50.985 1.00 12.11 O ATOM 326 NE2 GLN A 41 86.475 8.632 49.084 1.00 10.28 N ATOM 327 N ALA A 42 86.634 14.571 52.468 1.00 9.66 N ATOM 328 CA ALA A 42 87.584 15.680 52.734 1.00 10.34 C ATOM 329 C ALA A 42 87.980 15.680 54.217 1.00 9.77 C ATOM 330 O ALA A 42 87.109 15.521 55.091 1.00 9.08 O ATOM 331 CB ALA A 42 86.951 17.026 52.316 1.00 9.83 C ATOM 332 N THR A 43 89.247 15.838 54.483 1.00 10.07 N ATOM 333 CA THR A 43 89.801 15.917 55.851 1.00 10.88 C ATOM 334 C THR A 43 90.831 17.105 55.737 1.00 12.04 C ATOM 335 O THR A 43 91.306 17.343 54.635 1.00 12.93 O ATOM 336 CB THR A 43 90.435 14.650 56.422 1.00 10.23 C ATOM 337 OG1 THR A 43 91.544 14.413 55.509 1.00 11.38 O ATOM 338 CG2 THR A 43 89.564 13.462 56.422 1.00 8.65 C ATOM 339 N ASN A 44 90.989 17.818 56.802 1.00 13.05 N ATOM 340 CA ASN A 44 91.940 18.926 56.916 1.00 13.66 C ATOM 341 C ASN A 44 92.256 19.085 58.399 1.00 12.98 C ATOM 342 O ASN A 44 91.464 19.164 59.235 1.00 11.58 O ATOM 343 CB ASN A 44 91.464 20.193 56.232 1.00 17.66 C ATOM 344 CG ASN A 44 91.702 20.114 54.711 1.00 20.58 C ATOM 345 OD1 ASN A 44 90.673 19.956 53.950 1.00 23.73 O ATOM 346 ND2 ASN A 44 92.890 20.273 54.179 1.00 20.79 N ATOM 347 N ARG A 45 93.603 19.085 58.589 1.00 14.10 N ATOM 348 CA ARG A 45 94.236 19.164 59.920 1.00 15.42 C ATOM 349 C ARG A 45 94.474 20.589 60.338 1.00 15.65 C ATOM 350 O ARG A 45 94.790 21.460 59.501 1.00 16.17 O ATOM 351 CB ARG A 45 95.503 18.372 59.882 1.00 17.23 C ATOM 352 CG ARG A 45 96.374 18.214 61.098 1.00 19.70 C ATOM 353 CD ARG A 45 95.899 17.105 62.011 1.00 22.39 C ATOM 354 NE ARG A 45 96.929 16.313 62.505 1.00 26.19 N ATOM 355 CZ ARG A 45 97.325 15.600 63.493 1.00 27.21 C ATOM 356 NH1 ARG A 45 96.770 15.363 64.672 1.00 27.89 N ATOM 357 NH2 ARG A 45 98.592 15.046 63.303 1.00 29.38 N ATOM 358 N ASN A 46 94.236 20.827 61.592 1.00 15.85 N ATOM 359 CA ASN A 46 94.394 22.252 62.125 1.00 16.92 C ATOM 360 C ASN A 46 95.662 22.332 62.923 1.00 17.17 C ATOM 361 O ASN A 46 96.216 21.381 63.379 1.00 16.85 O ATOM 362 CB ASN A 46 93.127 22.648 62.923 1.00 16.78 C ATOM 363 CG ASN A 46 91.860 22.411 62.201 1.00 17.11 C ATOM 364 OD1 ASN A 46 90.910 21.777 62.733 1.00 19.56 O ATOM 365 ND2 ASN A 46 91.702 22.886 60.984 1.00 18.66 N ATOM 366 N THR A 47 96.137 23.599 63.113 1.00 18.82 N ATOM 367 CA THR A 47 97.325 23.915 63.874 1.00 20.08 C ATOM 368 C THR A 47 97.245 23.282 65.280 1.00 19.25 C ATOM 369 O THR A 47 98.354 22.965 65.775 1.00 20.23 O ATOM 370 CB THR A 47 97.562 25.420 63.912 1.00 22.09 C ATOM 371 OG1 THR A 47 98.196 25.737 62.657 1.00 24.89 O ATOM 372 CG2 THR A 47 98.592 25.895 64.976 1.00 24.03 C ATOM 373 N ASP A 48 96.137 23.203 65.927 1.00 18.39 N ATOM 374 CA ASP A 48 95.978 22.648 67.257 1.00 17.79 C ATOM 375 C ASP A 48 95.978 21.144 67.333 1.00 17.38 C ATOM 376 O ASP A 48 95.899 20.669 68.474 1.00 19.00 O ATOM 377 CB ASP A 48 94.711 23.282 67.942 1.00 18.43 C ATOM 378 CG ASP A 48 93.365 22.807 67.409 1.00 19.25 C ATOM 379 OD1 ASP A 48 93.207 22.094 66.421 1.00 20.40 O ATOM 380 OD2 ASP A 48 92.336 23.282 67.904 1.00 20.91 O ATOM 381 N GLY A 49 96.057 20.431 66.193 1.00 15.75 N ATOM 382 CA GLY A 49 96.057 19.006 66.231 1.00 13.50 C ATOM 383 C GLY A 49 94.711 18.372 66.079 1.00 12.79 C ATOM 384 O GLY A 49 94.553 17.105 66.041 1.00 11.91 O ATOM 385 N SER A 50 93.682 19.243 65.927 1.00 10.77 N ATOM 386 CA SER A 50 92.256 18.689 65.699 1.00 10.34 C ATOM 387 C SER A 50 92.177 18.530 64.178 1.00 9.23 C ATOM 388 O SER A 50 93.048 19.085 63.493 1.00 9.12 O ATOM 389 CB SER A 50 91.227 19.560 66.269 1.00 8.96 C ATOM 390 OG SER A 50 91.385 20.748 65.508 1.00 11.02 O ATOM 391 N THR A 51 91.227 17.818 63.684 1.00 9.46 N ATOM 392 CA THR A 51 91.069 17.580 62.239 1.00 8.57 C ATOM 393 C THR A 51 89.564 17.818 61.859 1.00 8.48 C ATOM 394 O THR A 51 88.772 17.422 62.695 1.00 8.47 O ATOM 395 CB THR A 51 91.385 16.155 61.821 1.00 7.34 C ATOM 396 OG1 THR A 51 92.731 15.838 62.315 1.00 6.84 O ATOM 397 CG2 THR A 51 91.385 15.917 60.338 1.00 6.55 C ATOM 398 N ASP A 52 89.326 18.372 60.718 1.00 8.28 N ATOM 399 CA ASP A 52 87.901 18.610 60.224 1.00 9.09 C ATOM 400 C ASP A 52 87.584 17.501 59.273 1.00 8.54 C ATOM 401 O ASP A 52 88.376 17.105 58.437 1.00 8.51 O ATOM 402 CB ASP A 52 87.743 19.956 59.577 1.00 11.24 C ATOM 403 CG ASP A 52 88.138 21.065 60.490 1.00 14.20 C ATOM 404 OD1 ASP A 52 87.901 21.144 61.706 1.00 16.48 O ATOM 405 OD2 ASP A 52 88.851 21.936 59.958 1.00 18.58 O ATOM 406 N TYR A 53 86.317 16.947 59.425 1.00 8.33 N ATOM 407 CA TYR A 53 85.921 15.838 58.589 1.00 8.40 C ATOM 408 C TYR A 53 84.654 15.996 57.790 1.00 8.66 C ATOM 409 O TYR A 53 83.625 16.472 58.247 1.00 8.40 O ATOM 410 CB TYR A 53 85.842 14.571 59.463 1.00 8.62 C ATOM 411 CG TYR A 53 87.030 14.096 60.186 1.00 8.73 C ATOM 412 CD1 TYR A 53 87.426 14.650 61.402 1.00 8.58 C ATOM 413 CD2 TYR A 53 87.822 12.987 59.691 1.00 8.32 C ATOM 414 CE1 TYR A 53 88.534 14.254 62.087 1.00 8.76 C ATOM 415 CE2 TYR A 53 88.930 12.591 60.376 1.00 8.22 C ATOM 416 CZ TYR A 53 89.326 13.225 61.554 1.00 7.90 C ATOM 417 OH TYR A 53 90.356 12.829 62.277 1.00 10.09 O ATOM 418 N GLY A 54 84.733 15.442 56.612 1.00 8.50 N ATOM 419 CA GLY A 54 83.625 15.363 55.699 1.00 9.15 C ATOM 420 C GLY A 54 83.229 16.630 55.053 1.00 8.98 C ATOM 421 O GLY A 54 83.862 17.659 55.053 1.00 8.71 O ATOM 422 N ILE A 55 82.041 16.472 54.521 1.00 10.32 N ATOM 423 CA ILE A 55 81.249 17.422 53.722 1.00 10.64 C ATOM 424 C ILE A 55 81.011 18.689 54.445 1.00 9.62 C ATOM 425 O ILE A 55 81.091 19.797 53.760 1.00 10.16 O ATOM 426 CB ILE A 55 79.982 16.630 53.266 1.00 13.27 C ATOM 427 CG1 ILE A 55 79.348 17.343 52.087 1.00 14.19 C ATOM 428 CG2 ILE A 55 78.952 16.392 54.369 1.00 12.98 C ATOM 429 CD1 ILE A 55 79.111 16.472 50.871 1.00 15.55 C ATOM 430 N LEU A 56 80.853 18.768 55.737 1.00 10.11 N ATOM 431 CA LEU A 56 80.695 19.956 56.498 1.00 10.52 C ATOM 432 C LEU A 56 81.803 20.273 57.372 1.00 10.39 C ATOM 433 O LEU A 56 81.724 21.144 58.247 1.00 10.55 O ATOM 434 CB LEU A 56 79.348 20.035 57.258 1.00 10.24 C ATOM 435 CG LEU A 56 78.081 20.273 56.422 1.00 11.49 C ATOM 436 CD1 LEU A 56 76.893 20.035 57.296 1.00 10.97 C ATOM 437 CD2 LEU A 56 78.081 21.540 55.737 1.00 11.84 C ATOM 438 N GLN A 57 82.912 19.481 57.220 1.00 9.53 N ATOM 439 CA GLN A 57 84.179 19.718 57.981 1.00 8.81 C ATOM 440 C GLN A 57 84.021 19.877 59.463 1.00 8.79 C ATOM 441 O GLN A 57 84.417 20.906 60.072 1.00 7.69 O ATOM 442 CB GLN A 57 84.812 20.906 57.334 1.00 8.11 C ATOM 443 CG GLN A 57 85.525 20.748 56.003 1.00 7.85 C ATOM 444 CD GLN A 57 86.634 19.797 55.927 1.00 7.20 C ATOM 445 OE1 GLN A 57 87.743 20.114 56.003 1.00 7.23 O ATOM 446 NE2 GLN A 57 86.317 18.451 55.775 1.00 6.63 N ATOM 447 N ILE A 58 83.387 18.926 60.110 1.00 9.57 N ATOM 448 CA ILE A 58 83.070 18.847 61.554 1.00 9.80 C ATOM 449 C ILE A 58 84.417 18.530 62.277 1.00 10.43 C ATOM 450 O ILE A 58 85.050 17.501 61.897 1.00 10.06 O ATOM 451 CB ILE A 58 81.962 17.897 61.783 1.00 10.02 C ATOM 452 CG1 ILE A 58 80.695 18.451 61.136 1.00 9.29 C ATOM 453 CG2 ILE A 58 81.724 17.659 63.303 1.00 9.59 C ATOM 454 CD1 ILE A 58 79.507 17.501 61.288 1.00 9.65 C ATOM 455 N ASN A 59 84.733 19.243 63.265 1.00 10.84 N ATOM 456 CA ASN A 59 86.000 19.243 63.988 1.00 12.19 C ATOM 457 C ASN A 59 86.080 18.293 65.128 1.00 12.73 C ATOM 458 O ASN A 59 85.129 18.135 65.927 1.00 13.59 O ATOM 459 CB ASN A 59 86.317 20.669 64.330 1.00 12.01 C ATOM 460 CG ASN A 59 87.663 20.827 64.976 1.00 12.02 C ATOM 461 OD1 ASN A 59 87.743 20.827 66.193 1.00 15.12 O ATOM 462 ND2 ASN A 59 88.693 20.906 64.178 1.00 12.56 N ATOM 463 N SER A 60 87.188 17.580 65.280 1.00 13.86 N ATOM 464 CA SER A 60 87.426 16.551 66.269 1.00 14.79 C ATOM 465 C SER A 60 87.663 17.105 67.714 1.00 16.92 C ATOM 466 O SER A 60 87.505 16.234 68.626 1.00 17.07 O ATOM 467 CB SER A 60 88.693 15.759 65.889 1.00 13.33 C ATOM 468 OG SER A 60 89.881 16.392 65.927 1.00 12.59 O ATOM 469 N ARG A 61 87.980 18.372 67.866 1.00 18.36 N ATOM 470 CA ARG A 61 88.138 19.006 69.158 1.00 19.72 C ATOM 471 C ARG A 61 86.951 18.847 70.033 1.00 18.92 C ATOM 472 O ARG A 61 87.030 18.610 71.249 1.00 18.77 O ATOM 473 CB ARG A 61 88.534 20.431 69.006 1.00 23.14 C ATOM 474 CG ARG A 61 88.455 21.381 70.109 1.00 26.75 C ATOM 475 CD ARG A 61 89.247 21.223 71.326 1.00 30.02 C ATOM 476 NE ARG A 61 88.614 20.352 72.314 1.00 33.49 N ATOM 477 CZ ARG A 61 88.218 20.669 73.531 1.00 33.84 C ATOM 478 NH1 ARG A 61 88.376 21.936 73.949 1.00 35.69 N ATOM 479 NH2 ARG A 61 87.743 19.797 74.405 1.00 33.81 N ATOM 480 N TRP A 62 85.763 19.006 69.425 1.00 18.98 N ATOM 481 CA TRP A 62 84.496 18.926 70.109 1.00 18.34 C ATOM 482 C TRP A 62 83.466 17.897 69.729 1.00 16.66 C ATOM 483 O TRP A 62 82.595 17.659 70.641 1.00 17.09 O ATOM 484 CB TRP A 62 83.704 20.273 69.843 1.00 21.48 C ATOM 485 CG TRP A 62 84.575 21.460 70.185 1.00 25.04 C ATOM 486 CD1 TRP A 62 85.288 22.332 69.348 1.00 26.00 C ATOM 487 CD2 TRP A 62 84.892 21.936 71.516 1.00 26.72 C ATOM 488 NE1 TRP A 62 85.921 23.282 70.071 1.00 27.34 N ATOM 489 CE2 TRP A 62 85.684 23.044 71.402 1.00 27.35 C ATOM 490 CE3 TRP A 62 84.496 21.460 72.770 1.00 28.36 C ATOM 491 CZ2 TRP A 62 86.238 23.678 72.542 1.00 28.82 C ATOM 492 CZ3 TRP A 62 84.971 22.094 73.873 1.00 29.50 C ATOM 493 CH2 TRP A 62 85.842 23.203 73.759 1.00 30.00 C ATOM 494 N TRP A 63 83.308 17.580 68.474 1.00 14.97 N ATOM 495 CA TRP A 63 82.199 16.867 67.980 1.00 13.01 C ATOM 496 C TRP A 63 82.358 15.363 67.676 1.00 12.68 C ATOM 497 O TRP A 63 81.249 14.809 67.600 1.00 13.10 O ATOM 498 CB TRP A 63 81.724 17.659 66.687 1.00 12.27 C ATOM 499 CG TRP A 63 81.487 19.085 67.029 1.00 11.11 C ATOM 500 CD1 TRP A 63 82.278 20.114 66.725 1.00 12.03 C ATOM 501 CD2 TRP A 63 80.378 19.639 67.790 1.00 11.75 C ATOM 502 NE1 TRP A 63 81.803 21.302 67.219 1.00 11.49 N ATOM 503 CE2 TRP A 63 80.615 20.985 67.904 1.00 12.14 C ATOM 504 CE3 TRP A 63 79.269 19.085 68.360 1.00 11.29 C ATOM 505 CZ2 TRP A 63 79.744 21.856 68.550 1.00 11.39 C ATOM 506 CZ3 TRP A 63 78.398 19.877 69.044 1.00 10.69 C ATOM 507 CH2 TRP A 63 78.636 21.302 69.120 1.00 11.55 C ATOM 508 N CYS A 64 83.545 14.888 67.447 1.00 11.66 N ATOM 509 CA CYS A 64 83.625 13.383 67.105 1.00 11.77 C ATOM 510 C CYS A 64 84.971 12.908 67.714 1.00 11.71 C ATOM 511 O CYS A 64 85.842 13.700 68.094 1.00 11.84 O ATOM 512 CB CYS A 64 83.545 13.225 65.585 1.00 9.87 C ATOM 513 SG CYS A 64 84.812 14.017 64.596 1.00 9.98 S ATOM 514 N ASN A 65 85.050 11.562 67.828 1.00 12.27 N ATOM 515 CA ASN A 65 86.238 10.928 68.322 1.00 12.53 C ATOM 516 C ASN A 65 87.109 10.453 67.143 1.00 12.20 C ATOM 517 O ASN A 65 86.555 9.661 66.345 1.00 12.06 O ATOM 518 CB ASN A 65 85.842 9.661 69.196 1.00 15.82 C ATOM 519 CG ASN A 65 87.109 9.028 69.767 1.00 18.83 C ATOM 520 OD1 ASN A 65 87.267 7.840 69.653 1.00 20.93 O ATOM 521 ND2 ASN A 65 87.980 9.820 70.375 1.00 18.25 N ATOM 522 N ASP A 66 88.297 10.849 67.105 1.00 10.94 N ATOM 523 CA ASP A 66 89.247 10.453 66.041 1.00 12.13 C ATOM 524 C ASP A 66 90.514 9.740 66.725 1.00 12.25 C ATOM 525 O ASP A 66 91.385 9.265 66.003 1.00 12.88 O ATOM 526 CB ASP A 66 89.722 11.483 65.052 1.00 11.57 C ATOM 527 CG ASP A 66 90.593 12.591 65.546 1.00 10.86 C ATOM 528 OD1 ASP A 66 90.910 12.591 66.763 1.00 10.99 O ATOM 529 OD2 ASP A 66 90.910 13.462 64.748 1.00 10.44 O ATOM 530 N GLY A 67 90.435 9.740 68.018 1.00 12.89 N ATOM 531 CA GLY A 67 91.544 9.107 68.816 1.00 14.22 C ATOM 532 C GLY A 67 92.890 9.740 68.778 1.00 15.47 C ATOM 533 O GLY A 67 93.840 9.107 69.234 1.00 16.46 O ATOM 534 N ARG A 68 92.969 11.007 68.322 1.00 16.11 N ATOM 535 CA ARG A 68 94.236 11.720 68.284 1.00 16.91 C ATOM 536 C ARG A 68 94.157 13.146 68.626 1.00 17.72 C ATOM 537 O ARG A 68 95.028 13.937 68.284 1.00 18.46 O ATOM 538 CB ARG A 68 95.028 11.483 66.953 1.00 17.49 C ATOM 539 CG ARG A 68 94.315 11.958 65.661 1.00 17.01 C ATOM 540 CD ARG A 68 95.345 11.958 64.558 1.00 18.81 C ATOM 541 NE ARG A 68 94.949 12.908 63.531 1.00 20.33 N ATOM 542 CZ ARG A 68 95.424 12.987 62.277 1.00 20.96 C ATOM 543 NH1 ARG A 68 96.374 12.116 61.973 1.00 20.01 N ATOM 544 NH2 ARG A 68 95.028 13.858 61.364 1.00 18.24 N ATOM 545 N THR A 69 93.048 13.621 69.234 1.00 18.50 N ATOM 546 CA THR A 69 92.811 14.967 69.653 1.00 19.96 C ATOM 547 C THR A 69 92.731 14.967 71.173 1.00 21.36 C ATOM 548 O THR A 69 91.544 14.888 71.706 1.00 22.41 O ATOM 549 CB THR A 69 91.623 15.600 69.006 1.00 18.37 C ATOM 550 OG1 THR A 69 91.702 15.363 67.638 1.00 18.38 O ATOM 551 CG2 THR A 69 91.544 17.105 69.196 1.00 16.96 C ATOM 552 N PRO A 70 93.761 14.967 71.896 1.00 22.81 N ATOM 553 CA PRO A 70 93.919 14.809 73.303 1.00 24.57 C ATOM 554 C PRO A 70 92.890 15.363 74.253 1.00 26.14 C ATOM 555 O PRO A 70 92.494 14.571 75.204 1.00 27.65 O ATOM 556 CB PRO A 70 95.345 15.284 73.645 1.00 24.32 C ATOM 557 CG PRO A 70 96.057 14.571 72.466 1.00 23.89 C ATOM 558 CD PRO A 70 95.186 14.967 71.288 1.00 23.16 C ATOM 559 N GLY A 71 92.573 16.630 74.177 1.00 26.83 N ATOM 560 CA GLY A 71 91.544 17.105 75.280 1.00 27.57 C ATOM 561 C GLY A 71 90.197 17.343 74.671 1.00 26.76 C ATOM 562 O GLY A 71 89.485 18.293 75.090 1.00 28.16 O ATOM 563 N SER A 72 89.801 16.472 73.759 1.00 25.30 N ATOM 564 CA SER A 72 88.534 16.709 73.074 1.00 24.01 C ATOM 565 C SER A 72 87.347 15.996 73.569 1.00 23.38 C ATOM 566 O SER A 72 87.267 14.967 74.253 1.00 22.75 O ATOM 567 CB SER A 72 88.772 16.472 71.554 1.00 24.06 C ATOM 568 OG SER A 72 89.010 15.046 71.440 1.00 25.45 O ATOM 569 N ARG A 73 86.238 16.630 73.150 1.00 22.53 N ATOM 570 CA ARG A 73 84.892 16.155 73.417 1.00 22.43 C ATOM 571 C ARG A 73 84.417 15.442 72.124 1.00 21.03 C ATOM 572 O ARG A 73 85.050 15.600 71.021 1.00 21.78 O ATOM 573 CB ARG A 73 83.862 17.343 73.683 1.00 24.99 C ATOM 574 CG ARG A 73 84.179 18.135 74.899 1.00 29.30 C ATOM 575 CD ARG A 73 82.991 18.451 75.774 1.00 32.66 C ATOM 576 NE ARG A 73 82.041 19.481 75.432 1.00 34.98 N ATOM 577 CZ ARG A 73 81.011 19.797 76.192 1.00 36.09 C ATOM 578 NH1 ARG A 73 80.853 19.006 77.295 1.00 36.29 N ATOM 579 NH2 ARG A 73 80.140 20.748 75.964 1.00 36.41 N ATOM 580 N ASN A 74 83.466 14.571 72.276 1.00 18.77 N ATOM 581 CA ASN A 74 82.833 13.779 71.288 1.00 16.10 C ATOM 582 C ASN A 74 81.328 14.096 71.478 1.00 15.44 C ATOM 583 O ASN A 74 80.615 13.146 71.820 1.00 15.50 O ATOM 584 CB ASN A 74 83.149 12.354 71.440 1.00 16.17 C ATOM 585 CG ASN A 74 82.595 11.562 70.299 1.00 15.31 C ATOM 586 OD1 ASN A 74 82.041 12.037 69.348 1.00 14.98 O ATOM 587 ND2 ASN A 74 82.754 10.216 70.451 1.00 16.69 N ATOM 588 N LEU A 75 80.932 15.363 71.288 1.00 15.56 N ATOM 589 CA LEU A 75 79.507 15.759 71.478 1.00 16.00 C ATOM 590 C LEU A 75 78.477 15.125 70.603 1.00 15.28 C ATOM 591 O LEU A 75 77.289 15.046 70.983 1.00 15.01 O ATOM 592 CB LEU A 75 79.428 17.343 71.516 1.00 18.25 C ATOM 593 CG LEU A 75 80.061 17.976 72.770 1.00 20.06 C ATOM 594 CD1 LEU A 75 79.824 19.402 72.770 1.00 20.01 C ATOM 595 CD2 LEU A 75 79.507 17.343 74.025 1.00 21.34 C ATOM 596 N CYS A 76 78.952 14.650 69.463 1.00 14.89 N ATOM 597 CA CYS A 76 78.081 13.937 68.512 1.00 15.23 C ATOM 598 C CYS A 76 78.081 12.433 68.702 1.00 16.22 C ATOM 599 O CYS A 76 77.289 11.720 68.056 1.00 15.64 O ATOM 600 CB CYS A 76 78.319 14.413 67.067 1.00 15.81 C ATOM 601 SG CYS A 76 77.844 16.155 66.763 1.00 15.01 S ATOM 602 N ASN A 77 78.873 11.958 69.653 1.00 17.14 N ATOM 603 CA ASN A 77 78.952 10.532 69.995 1.00 18.97 C ATOM 604 C ASN A 77 79.032 9.661 68.778 1.00 18.77 C ATOM 605 O ASN A 77 78.240 8.711 68.550 1.00 17.42 O ATOM 606 CB ASN A 77 77.685 10.136 70.793 1.00 23.86 C ATOM 607 CG ASN A 77 77.923 10.057 72.314 1.00 27.89 C ATOM 608 OD1 ASN A 77 77.527 10.928 73.112 1.00 29.72 O ATOM 609 ND2 ASN A 77 78.636 8.948 72.732 1.00 30.14 N ATOM 610 N ILE A 78 80.140 9.899 68.056 1.00 18.17 N ATOM 611 CA ILE A 78 80.457 9.186 66.801 1.00 17.50 C ATOM 612 C ILE A 78 81.962 9.265 66.459 1.00 16.32 C ATOM 613 O ILE A 78 82.595 10.295 66.763 1.00 16.92 O ATOM 614 CB ILE A 78 79.586 9.978 65.813 1.00 18.05 C ATOM 615 CG1 ILE A 78 79.190 9.028 64.710 1.00 19.88 C ATOM 616 CG2 ILE A 78 80.219 11.245 65.318 1.00 17.48 C ATOM 617 CD1 ILE A 78 77.923 9.503 63.950 1.00 22.15 C ATOM 618 N PRO A 79 82.516 8.236 65.927 1.00 14.97 N ATOM 619 CA PRO A 79 83.862 8.157 65.432 1.00 14.01 C ATOM 620 C PRO A 79 83.862 9.186 64.254 1.00 12.96 C ATOM 621 O PRO A 79 82.912 9.107 63.417 1.00 13.14 O ATOM 622 CB PRO A 79 84.100 6.810 64.900 1.00 13.74 C ATOM 623 CG PRO A 79 82.754 6.177 64.710 1.00 14.55 C ATOM 624 CD PRO A 79 81.803 6.969 65.585 1.00 14.63 C ATOM 625 N CYS A 80 84.892 9.899 64.140 1.00 11.89 N ATOM 626 CA CYS A 80 85.050 10.928 63.075 1.00 10.00 C ATOM 627 C CYS A 80 84.971 10.295 61.706 1.00 9.37 C ATOM 628 O CYS A 80 84.417 10.928 60.718 1.00 9.65 O ATOM 629 CB CYS A 80 86.396 11.641 63.341 1.00 9.59 C ATOM 630 SG CYS A 80 86.396 12.829 64.672 1.00 9.14 S ATOM 631 N SER A 81 85.367 9.107 61.592 1.00 9.49 N ATOM 632 CA SER A 81 85.367 8.315 60.300 1.00 9.85 C ATOM 633 C SER A 81 83.941 8.157 59.767 1.00 10.58 C ATOM 634 O SER A 81 83.783 8.157 58.551 1.00 10.25 O ATOM 635 CB SER A 81 86.080 7.048 60.452 1.00 9.56 C ATOM 636 OG SER A 81 85.446 6.098 61.326 1.00 11.36 O ATOM 637 N ALA A 82 82.912 8.077 60.642 1.00 10.52 N ATOM 638 CA ALA A 82 81.566 7.998 60.224 1.00 12.10 C ATOM 639 C ALA A 82 81.170 9.265 59.425 1.00 12.85 C ATOM 640 O ALA A 82 80.140 9.186 58.665 1.00 14.19 O ATOM 641 CB ALA A 82 80.695 7.919 61.478 1.00 12.17 C ATOM 642 N LEU A 83 81.882 10.374 59.539 1.00 13.13 N ATOM 643 CA LEU A 83 81.566 11.562 58.817 1.00 13.66 C ATOM 644 C LEU A 83 82.041 11.641 57.410 1.00 14.29 C ATOM 645 O LEU A 83 81.724 12.670 56.688 1.00 15.01 O ATOM 646 CB LEU A 83 82.041 12.750 59.615 1.00 13.28 C ATOM 647 CG LEU A 83 81.407 12.987 60.984 1.00 14.05 C ATOM 648 CD1 LEU A 83 82.199 14.017 61.783 1.00 11.61 C ATOM 649 CD2 LEU A 83 79.982 13.304 60.870 1.00 14.09 C ATOM 650 N LEU A 84 82.754 10.691 56.916 1.00 14.63 N ATOM 651 CA LEU A 84 83.308 10.611 55.585 1.00 15.26 C ATOM 652 C LEU A 84 82.595 9.740 54.673 1.00 15.97 C ATOM 653 O LEU A 84 82.912 9.582 53.456 1.00 17.37 O ATOM 654 CB LEU A 84 84.733 10.057 55.775 1.00 14.57 C ATOM 655 CG LEU A 84 85.842 11.007 56.232 1.00 16.38 C ATOM 656 CD1 LEU A 84 85.288 11.720 57.410 1.00 16.86 C ATOM 657 CD2 LEU A 84 87.109 10.374 56.536 1.00 15.79 C ATOM 658 N SER A 85 81.566 9.107 55.167 1.00 15.36 N ATOM 659 CA SER A 85 80.695 8.157 54.445 1.00 15.32 C ATOM 660 C SER A 85 79.903 8.790 53.342 1.00 15.92 C ATOM 661 O SER A 85 79.586 9.978 53.456 1.00 16.41 O ATOM 662 CB SER A 85 79.744 7.602 55.547 1.00 15.93 C ATOM 663 OG SER A 85 78.794 6.731 54.977 1.00 17.62 O ATOM 664 N SER A 86 79.586 8.077 52.316 1.00 15.90 N ATOM 665 CA SER A 86 78.794 8.553 51.175 1.00 16.31 C ATOM 666 C SER A 86 77.369 8.869 51.517 1.00 15.73 C ATOM 667 O SER A 86 76.577 9.424 50.719 1.00 16.63 O ATOM 668 CB SER A 86 78.952 7.602 49.996 1.00 17.41 C ATOM 669 OG SER A 86 78.477 6.335 50.415 1.00 19.90 O ATOM 670 N ASP A 87 76.893 8.394 52.620 1.00 15.73 N ATOM 671 CA ASP A 87 75.547 8.553 53.228 1.00 14.89 C ATOM 672 C ASP A 87 75.706 9.740 54.217 1.00 14.49 C ATOM 673 O ASP A 87 76.339 9.503 55.281 1.00 15.37 O ATOM 674 CB ASP A 87 75.151 7.285 53.950 1.00 16.60 C ATOM 675 CG ASP A 87 73.726 7.523 54.597 1.00 18.09 C ATOM 676 OD1 ASP A 87 73.251 8.553 54.901 1.00 18.61 O ATOM 677 OD2 ASP A 87 73.092 6.414 54.787 1.00 21.10 O ATOM 678 N ILE A 88 75.151 10.849 53.988 1.00 14.00 N ATOM 679 CA ILE A 88 75.310 12.037 54.863 1.00 12.72 C ATOM 680 C ILE A 88 74.597 12.037 56.118 1.00 12.31 C ATOM 681 O ILE A 88 74.755 13.066 56.878 1.00 11.74 O ATOM 682 CB ILE A 88 75.072 13.304 54.064 1.00 12.73 C ATOM 683 CG1 ILE A 88 73.568 13.462 53.722 1.00 13.59 C ATOM 684 CG2 ILE A 88 75.943 13.383 52.886 1.00 12.97 C ATOM 685 CD1 ILE A 88 73.172 14.809 53.152 1.00 13.09 C ATOM 686 N THR A 89 73.805 11.087 56.498 1.00 12.50 N ATOM 687 CA THR A 89 73.013 11.087 57.714 1.00 12.48 C ATOM 688 C THR A 89 73.805 11.562 58.969 1.00 12.77 C ATOM 689 O THR A 89 73.330 12.433 59.653 1.00 12.22 O ATOM 690 CB THR A 89 72.380 9.661 57.942 1.00 11.48 C ATOM 691 OG1 THR A 89 71.746 9.503 56.726 1.00 13.12 O ATOM 692 CG2 THR A 89 71.350 9.661 59.045 1.00 11.62 C ATOM 693 N ALA A 90 74.993 10.928 59.273 1.00 12.22 N ATOM 694 CA ALA A 90 75.706 11.245 60.452 1.00 11.92 C ATOM 695 C ALA A 90 76.181 12.750 60.452 1.00 11.54 C ATOM 696 O ALA A 90 76.181 13.383 61.516 1.00 11.31 O ATOM 697 CB ALA A 90 76.893 10.374 60.718 1.00 12.21 C ATOM 698 N SER A 91 76.656 13.146 59.273 1.00 10.69 N ATOM 699 CA SER A 91 77.131 14.571 59.121 1.00 10.45 C ATOM 700 C SER A 91 75.943 15.521 59.349 1.00 10.68 C ATOM 701 O SER A 91 76.102 16.472 60.034 1.00 11.50 O ATOM 702 CB SER A 91 77.765 14.809 57.752 1.00 10.47 C ATOM 703 OG SER A 91 79.111 14.413 57.752 1.00 11.12 O ATOM 704 N VAL A 92 74.835 15.125 58.741 1.00 11.04 N ATOM 705 CA VAL A 92 73.647 15.996 58.931 1.00 11.51 C ATOM 706 C VAL A 92 73.172 15.996 60.376 1.00 11.71 C ATOM 707 O VAL A 92 72.776 17.026 60.870 1.00 11.00 O ATOM 708 CB VAL A 92 72.459 15.521 57.981 1.00 12.52 C ATOM 709 CG1 VAL A 92 71.113 16.234 58.399 1.00 13.50 C ATOM 710 CG2 VAL A 92 72.776 15.917 56.574 1.00 12.30 C ATOM 711 N ASN A 93 73.172 14.888 61.060 1.00 12.01 N ATOM 712 CA ASN A 93 72.696 14.809 62.467 1.00 13.21 C ATOM 713 C ASN A 93 73.568 15.600 63.417 1.00 12.53 C ATOM 714 O ASN A 93 73.092 16.234 64.330 1.00 12.42 O ATOM 715 CB ASN A 93 72.617 13.304 62.923 1.00 16.44 C ATOM 716 CG ASN A 93 71.429 12.591 62.391 1.00 19.48 C ATOM 717 OD1 ASN A 93 70.558 13.146 61.744 1.00 20.48 O ATOM 718 ND2 ASN A 93 71.350 11.245 62.771 1.00 20.78 N ATOM 719 N CYS A 94 74.914 15.521 63.189 1.00 11.05 N ATOM 720 CA CYS A 94 75.864 16.234 64.026 1.00 9.93 C ATOM 721 C CYS A 94 75.785 17.739 63.760 1.00 8.72 C ATOM 722 O CYS A 94 75.864 18.610 64.634 1.00 7.32 O ATOM 723 CB CYS A 94 77.210 15.600 63.798 1.00 10.63 C ATOM 724 SG CYS A 94 78.477 16.313 64.862 1.00 13.92 S ATOM 725 N ALA A 95 75.626 18.135 62.467 1.00 8.61 N ATOM 726 CA ALA A 95 75.468 19.560 62.049 1.00 8.74 C ATOM 727 C ALA A 95 74.280 20.193 62.771 1.00 9.53 C ATOM 728 O ALA A 95 74.280 21.381 63.189 1.00 8.62 O ATOM 729 CB ALA A 95 75.230 19.560 60.528 1.00 7.80 C ATOM 730 N LYS A 96 73.251 19.402 62.923 1.00 10.29 N ATOM 731 CA LYS A 96 71.984 19.877 63.607 1.00 11.32 C ATOM 732 C LYS A 96 72.300 20.273 65.052 1.00 11.52 C ATOM 733 O LYS A 96 71.746 21.302 65.470 1.00 12.04 O ATOM 734 CB LYS A 96 70.875 18.847 63.531 1.00 11.98 C ATOM 735 CG LYS A 96 70.083 18.926 62.201 1.00 12.24 C ATOM 736 CD LYS A 96 69.054 17.818 62.163 1.00 14.05 C ATOM 737 CE LYS A 96 68.262 17.976 60.870 1.00 14.47 C ATOM 738 NZ LYS A 96 67.470 16.709 60.680 1.00 15.00 N ATOM 739 N LYS A 97 73.172 19.639 65.813 1.00 12.59 N ATOM 740 CA LYS A 97 73.568 19.956 67.181 1.00 14.08 C ATOM 741 C LYS A 97 74.518 21.144 67.181 1.00 13.21 C ATOM 742 O LYS A 97 74.518 22.015 68.056 1.00 12.95 O ATOM 743 CB LYS A 97 74.280 18.847 67.904 1.00 16.10 C ATOM 744 CG LYS A 97 74.122 17.501 67.143 1.00 21.06 C ATOM 745 CD LYS A 97 72.855 16.709 67.486 1.00 22.80 C ATOM 746 CE LYS A 97 73.251 15.680 68.550 1.00 24.71 C ATOM 747 NZ LYS A 97 74.043 16.472 69.615 1.00 26.50 N ATOM 748 N ILE A 98 75.468 21.144 66.231 1.00 13.04 N ATOM 749 CA ILE A 98 76.418 22.252 66.117 1.00 12.88 C ATOM 750 C ILE A 98 75.706 23.599 65.965 1.00 12.94 C ATOM 751 O ILE A 98 75.943 24.470 66.725 1.00 12.26 O ATOM 752 CB ILE A 98 77.369 22.015 64.900 1.00 11.40 C ATOM 753 CG1 ILE A 98 78.319 20.827 65.090 1.00 11.09 C ATOM 754 CG2 ILE A 98 78.081 23.361 64.634 1.00 12.26 C ATOM 755 CD1 ILE A 98 79.111 20.431 63.912 1.00 7.22 C ATOM 756 N VAL A 99 74.755 23.678 65.014 1.00 14.63 N ATOM 757 CA VAL A 99 74.043 24.866 64.634 1.00 15.56 C ATOM 758 C VAL A 99 73.092 25.341 65.737 1.00 17.43 C ATOM 759 O VAL A 99 72.696 26.529 65.699 1.00 18.14 O ATOM 760 CB VAL A 99 73.330 24.786 63.265 1.00 15.31 C ATOM 761 CG1 VAL A 99 71.984 23.995 63.265 1.00 14.16 C ATOM 762 CG2 VAL A 99 73.172 26.133 62.657 1.00 15.95 C ATOM 763 N SER A 100 72.696 24.391 66.573 1.00 17.56 N ATOM 764 CA SER A 100 71.825 24.628 67.714 1.00 19.28 C ATOM 765 C SER A 100 72.538 25.182 68.930 1.00 20.89 C ATOM 766 O SER A 100 71.825 25.737 69.805 1.00 21.81 O ATOM 767 CB SER A 100 71.192 23.282 68.170 1.00 17.67 C ATOM 768 OG SER A 100 70.242 22.965 67.219 1.00 18.24 O ATOM 769 N ASP A 101 73.805 25.103 68.930 1.00 22.80 N ATOM 770 CA ASP A 101 74.755 25.499 69.995 1.00 24.16 C ATOM 771 C ASP A 101 74.755 26.925 70.413 1.00 24.30 C ATOM 772 O ASP A 101 75.310 27.162 71.554 1.00 25.56 O ATOM 773 CB ASP A 101 76.181 25.024 69.539 1.00 26.16 C ATOM 774 CG ASP A 101 77.131 24.786 70.679 1.00 27.99 C ATOM 775 OD1 ASP A 101 76.735 24.074 71.668 1.00 27.82 O ATOM 776 OD2 ASP A 101 78.240 25.341 70.565 1.00 28.93 O ATOM 777 N GLY A 102 74.280 27.875 69.653 1.00 23.62 N ATOM 778 CA GLY A 102 74.280 29.300 70.147 1.00 22.29 C ATOM 779 C GLY A 102 74.914 30.251 69.158 1.00 21.34 C ATOM 780 O GLY A 102 74.359 31.359 69.044 1.00 22.35 O ATOM 781 N ASN A 103 75.864 29.855 68.360 1.00 19.93 N ATOM 782 CA ASN A 103 76.498 30.726 67.333 1.00 17.50 C ATOM 783 C ASN A 103 76.022 30.488 65.927 1.00 14.61 C ATOM 784 O ASN A 103 76.498 31.122 64.938 1.00 13.55 O ATOM 785 CB ASN A 103 78.081 30.488 67.562 1.00 20.82 C ATOM 786 CG ASN A 103 78.240 30.805 69.044 1.00 23.59 C ATOM 787 OD1 ASN A 103 78.161 31.993 69.387 1.00 25.45 O ATOM 788 ND2 ASN A 103 78.398 29.855 69.919 1.00 24.39 N ATOM 789 N GLY A 104 74.993 29.696 65.699 1.00 12.84 N ATOM 790 CA GLY A 104 74.359 29.379 64.444 1.00 11.71 C ATOM 791 C GLY A 104 75.389 28.825 63.455 1.00 10.66 C ATOM 792 O GLY A 104 76.260 28.112 63.836 1.00 10.72 O ATOM 793 N MET A 105 75.230 29.221 62.201 1.00 11.20 N ATOM 794 CA MET A 105 76.102 28.825 61.060 1.00 10.43 C ATOM 795 C MET A 105 77.448 29.459 61.098 1.00 10.13 C ATOM 796 O MET A 105 78.398 29.142 60.338 1.00 9.28 O ATOM 797 CB MET A 105 75.468 28.825 59.729 1.00 9.88 C ATOM 798 CG MET A 105 74.439 27.716 59.501 1.00 8.56 C ATOM 799 SD MET A 105 73.884 27.479 57.828 1.00 11.54 S ATOM 800 CE MET A 105 75.389 26.766 57.144 1.00 10.10 C ATOM 801 N ASN A 106 77.685 30.409 62.049 1.00 10.79 N ATOM 802 CA ASN A 106 78.952 31.122 62.315 1.00 10.79 C ATOM 803 C ASN A 106 79.982 30.092 62.733 1.00 10.65 C ATOM 804 O ASN A 106 81.170 30.409 62.619 1.00 10.36 O ATOM 805 CB ASN A 106 78.794 32.310 63.227 1.00 10.35 C ATOM 806 CG ASN A 106 77.844 33.339 62.695 1.00 9.56 C ATOM 807 OD1 ASN A 106 76.735 33.497 63.303 1.00 11.68 O ATOM 808 ND2 ASN A 106 78.161 33.973 61.592 1.00 8.16 N ATOM 809 N ALA A 107 79.586 28.904 63.227 1.00 10.96 N ATOM 810 CA ALA A 107 80.457 27.875 63.569 1.00 11.15 C ATOM 811 C ALA A 107 81.249 27.321 62.391 1.00 11.85 C ATOM 812 O ALA A 107 82.358 26.687 62.543 1.00 13.53 O ATOM 813 CB ALA A 107 79.744 26.687 64.140 1.00 11.54 C ATOM 814 N TRP A 108 80.774 27.637 61.174 1.00 10.83 N ATOM 815 CA TRP A 108 81.487 27.162 59.958 1.00 10.54 C ATOM 816 C TRP A 108 82.120 28.508 59.387 1.00 10.44 C ATOM 817 O TRP A 108 81.407 29.300 58.893 1.00 10.07 O ATOM 818 CB TRP A 108 80.536 26.529 59.007 1.00 9.96 C ATOM 819 CG TRP A 108 80.140 25.103 59.387 1.00 9.91 C ATOM 820 CD1 TRP A 108 80.853 23.915 59.121 1.00 9.62 C ATOM 821 CD2 TRP A 108 78.952 24.707 60.034 1.00 9.94 C ATOM 822 NE1 TRP A 108 80.140 22.886 59.577 1.00 9.23 N ATOM 823 CE2 TRP A 108 78.952 23.282 60.110 1.00 9.87 C ATOM 824 CE3 TRP A 108 77.844 25.341 60.528 1.00 10.30 C ATOM 825 CZ2 TRP A 108 78.002 22.490 60.680 1.00 9.66 C ATOM 826 CZ3 TRP A 108 76.814 24.549 61.136 1.00 9.97 C ATOM 827 CH2 TRP A 108 76.893 23.203 61.212 1.00 8.28 C ATOM 828 N VAL A 109 83.466 28.588 59.463 1.00 10.73 N ATOM 829 CA VAL A 109 84.100 29.775 58.931 1.00 11.59 C ATOM 830 C VAL A 109 83.941 29.934 57.448 1.00 11.28 C ATOM 831 O VAL A 109 84.021 31.201 57.068 1.00 11.33 O ATOM 832 CB VAL A 109 85.525 29.855 59.463 1.00 13.66 C ATOM 833 CG1 VAL A 109 86.396 28.667 59.045 1.00 14.25 C ATOM 834 CG2 VAL A 109 86.238 31.201 59.007 1.00 14.21 C ATOM 835 N ALA A 110 83.783 28.984 56.612 1.00 10.80 N ATOM 836 CA ALA A 110 83.625 29.300 55.167 1.00 10.36 C ATOM 837 C ALA A 110 82.199 29.855 54.977 1.00 10.27 C ATOM 838 O ALA A 110 81.962 30.726 54.179 1.00 10.65 O ATOM 839 CB ALA A 110 83.941 28.112 54.217 1.00 9.47 C ATOM 840 N TRP A 111 81.249 29.379 55.813 1.00 10.13 N ATOM 841 CA TRP A 111 79.903 29.934 55.699 1.00 9.86 C ATOM 842 C TRP A 111 79.982 31.438 55.965 1.00 9.76 C ATOM 843 O TRP A 111 79.428 32.310 55.243 1.00 8.72 O ATOM 844 CB TRP A 111 78.873 29.300 56.650 1.00 9.12 C ATOM 845 CG TRP A 111 77.527 29.934 56.498 1.00 9.94 C ATOM 846 CD1 TRP A 111 76.656 29.775 55.471 1.00 9.42 C ATOM 847 CD2 TRP A 111 76.973 30.884 57.372 1.00 9.80 C ATOM 848 NE1 TRP A 111 75.547 30.567 55.661 1.00 9.10 N ATOM 849 CE2 TRP A 111 75.706 31.201 56.840 1.00 9.75 C ATOM 850 CE3 TRP A 111 77.369 31.438 58.589 1.00 8.73 C ATOM 851 CZ2 TRP A 111 74.835 32.151 57.486 1.00 11.21 C ATOM 852 CZ3 TRP A 111 76.498 32.389 59.197 1.00 8.79 C ATOM 853 CH2 TRP A 111 75.310 32.705 58.627 1.00 9.51 C ATOM 854 N ARG A 112 80.536 31.834 57.106 1.00 10.75 N ATOM 855 CA ARG A 112 80.615 33.181 57.600 1.00 12.87 C ATOM 856 C ARG A 112 81.249 34.131 56.612 1.00 13.29 C ATOM 857 O ARG A 112 80.774 35.240 56.270 1.00 12.59 O ATOM 858 CB ARG A 112 81.328 33.101 58.969 1.00 15.00 C ATOM 859 CG ARG A 112 81.407 34.368 59.729 1.00 19.39 C ATOM 860 CD ARG A 112 82.437 34.368 60.832 1.00 22.40 C ATOM 861 NE ARG A 112 82.595 33.101 61.402 1.00 25.26 N ATOM 862 CZ ARG A 112 83.862 32.705 61.668 1.00 27.00 C ATOM 863 NH1 ARG A 112 84.892 33.497 61.364 1.00 26.91 N ATOM 864 NH2 ARG A 112 84.179 31.438 62.201 1.00 26.81 N ATOM 865 N ASN A 113 82.437 33.656 56.003 1.00 12.82 N ATOM 866 CA ASN A 113 83.149 34.368 55.053 1.00 13.23 C ATOM 867 C ASN A 113 82.754 34.289 53.608 1.00 13.01 C ATOM 868 O ASN A 113 83.149 35.319 52.848 1.00 14.15 O ATOM 869 CB ASN A 113 84.654 33.973 55.167 1.00 12.75 C ATOM 870 CG ASN A 113 85.208 34.368 56.498 1.00 13.26 C ATOM 871 OD1 ASN A 113 84.812 35.398 57.030 1.00 14.82 O ATOM 872 ND2 ASN A 113 86.159 33.577 56.992 1.00 11.45 N ATOM 873 N ARG A 114 82.041 33.339 53.152 1.00 12.84 N ATOM 874 CA ARG A 114 81.724 33.260 51.745 1.00 11.84 C ATOM 875 C ARG A 114 80.299 33.022 51.403 1.00 11.69 C ATOM 876 O ARG A 114 79.982 33.181 50.186 1.00 12.50 O ATOM 877 CB ARG A 114 82.516 31.914 51.289 1.00 12.20 C ATOM 878 CG ARG A 114 83.941 32.072 51.707 1.00 13.58 C ATOM 879 CD ARG A 114 84.892 31.201 51.099 1.00 12.41 C ATOM 880 NE ARG A 114 85.050 31.359 49.654 1.00 12.53 N ATOM 881 CZ ARG A 114 85.842 30.488 48.970 1.00 12.31 C ATOM 882 NH1 ARG A 114 86.475 29.538 49.616 1.00 12.27 N ATOM 883 NH2 ARG A 114 85.842 30.567 47.639 1.00 11.95 N ATOM 884 N CYS A 115 79.428 32.705 52.354 1.00 11.17 N ATOM 885 CA CYS A 115 78.002 32.468 52.163 1.00 11.34 C ATOM 886 C CYS A 115 77.131 33.577 52.810 1.00 11.45 C ATOM 887 O CYS A 115 76.181 34.052 52.125 1.00 10.72 O ATOM 888 CB CYS A 115 77.527 31.122 52.696 1.00 10.07 C ATOM 889 SG CYS A 115 78.636 29.855 51.973 1.00 10.99 S ATOM 890 N LYS A 116 77.448 33.814 54.026 1.00 12.07 N ATOM 891 CA LYS A 116 76.814 34.844 54.901 1.00 12.24 C ATOM 892 C LYS A 116 76.656 36.111 54.140 1.00 12.57 C ATOM 893 O LYS A 116 77.606 36.744 53.570 1.00 12.77 O ATOM 894 CB LYS A 116 77.527 35.081 56.194 1.00 10.92 C ATOM 895 CG LYS A 116 76.656 35.873 57.220 1.00 11.06 C ATOM 896 CD LYS A 116 77.448 36.111 58.551 1.00 10.36 C ATOM 897 CE LYS A 116 76.577 36.507 59.691 1.00 11.29 C ATOM 898 NZ LYS A 116 77.289 36.507 60.984 1.00 10.76 N ATOM 899 N GLY A 117 75.389 36.586 54.026 1.00 13.64 N ATOM 900 CA GLY A 117 74.914 37.774 53.380 1.00 15.24 C ATOM 901 C GLY A 117 74.993 37.774 51.859 1.00 16.17 C ATOM 902 O GLY A 117 74.914 38.882 51.289 1.00 17.82 O ATOM 903 N THR A 118 75.151 36.665 51.213 1.00 15.61 N ATOM 904 CA THR A 118 75.230 36.507 49.768 1.00 14.57 C ATOM 905 C THR A 118 73.884 35.952 49.350 1.00 14.83 C ATOM 906 O THR A 118 73.092 35.635 50.186 1.00 13.41 O ATOM 907 CB THR A 118 76.418 35.635 49.350 1.00 14.35 C ATOM 908 OG1 THR A 118 76.102 34.289 49.616 1.00 13.09 O ATOM 909 CG2 THR A 118 77.685 36.031 50.072 1.00 14.74 C ATOM 910 N ASP A 119 73.568 35.873 48.095 1.00 16.36 N ATOM 911 CA ASP A 119 72.380 35.319 47.563 1.00 18.40 C ATOM 912 C ASP A 119 72.538 33.814 47.563 1.00 17.63 C ATOM 913 O ASP A 119 72.855 33.181 46.498 1.00 18.00 O ATOM 914 CB ASP A 119 72.063 35.873 46.156 1.00 23.54 C ATOM 915 CG ASP A 119 70.717 35.398 45.548 1.00 26.88 C ATOM 916 OD1 ASP A 119 69.687 35.794 46.118 1.00 30.37 O ATOM 917 OD2 ASP A 119 70.717 34.685 44.559 1.00 28.52 O ATOM 918 N VAL A 120 72.300 33.101 48.666 1.00 17.19 N ATOM 919 CA VAL A 120 72.380 31.676 48.818 1.00 16.49 C ATOM 920 C VAL A 120 71.350 30.884 48.019 1.00 17.38 C ATOM 921 O VAL A 120 71.509 29.696 47.791 1.00 16.26 O ATOM 922 CB VAL A 120 72.380 31.359 50.338 1.00 16.15 C ATOM 923 CG1 VAL A 120 73.647 31.914 51.023 1.00 15.67 C ATOM 924 CG2 VAL A 120 71.192 31.993 51.023 1.00 15.69 C ATOM 925 N GLN A 121 70.321 31.518 47.563 1.00 18.12 N ATOM 926 CA GLN A 121 69.291 30.884 46.803 1.00 18.58 C ATOM 927 C GLN A 121 69.846 30.409 45.472 1.00 17.93 C ATOM 928 O GLN A 121 69.291 29.459 44.864 1.00 17.47 O ATOM 929 CB GLN A 121 67.945 31.676 46.575 1.00 22.26 C ATOM 930 CG GLN A 121 67.391 32.230 47.829 1.00 26.07 C ATOM 931 CD GLN A 121 67.549 33.735 47.981 1.00 28.82 C ATOM 932 OE1 GLN A 121 68.499 34.289 48.514 1.00 30.58 O ATOM 933 NE2 GLN A 121 66.440 34.448 47.525 1.00 30.06 N ATOM 934 N ALA A 122 70.875 31.042 45.054 1.00 17.70 N ATOM 935 CA ALA A 122 71.509 30.726 43.761 1.00 16.71 C ATOM 936 C ALA A 122 71.984 29.221 43.761 1.00 16.43 C ATOM 937 O ALA A 122 71.984 28.588 42.773 1.00 15.42 O ATOM 938 CB ALA A 122 72.617 31.676 43.495 1.00 16.98 C ATOM 939 N TRP A 123 72.380 28.825 44.978 1.00 15.98 N ATOM 940 CA TRP A 123 72.855 27.400 45.168 1.00 15.67 C ATOM 941 C TRP A 123 71.825 26.370 44.940 1.00 15.26 C ATOM 942 O TRP A 123 72.142 25.182 44.712 1.00 15.32 O ATOM 943 CB TRP A 123 73.568 27.400 46.575 1.00 15.12 C ATOM 944 CG TRP A 123 74.835 28.112 46.575 1.00 15.80 C ATOM 945 CD1 TRP A 123 75.072 29.379 47.145 1.00 16.12 C ATOM 946 CD2 TRP A 123 76.102 27.796 45.966 1.00 16.30 C ATOM 947 NE1 TRP A 123 76.339 29.775 46.955 1.00 16.16 N ATOM 948 CE2 TRP A 123 77.052 28.825 46.232 1.00 16.38 C ATOM 949 CE3 TRP A 123 76.498 26.687 45.206 1.00 16.37 C ATOM 950 CZ2 TRP A 123 78.319 28.825 45.776 1.00 15.43 C ATOM 951 CZ3 TRP A 123 77.844 26.687 44.750 1.00 14.75 C ATOM 952 CH2 TRP A 123 78.715 27.637 45.016 1.00 14.95 C ATOM 953 N ILE A 124 70.558 26.687 44.978 1.00 15.94 N ATOM 954 CA ILE A 124 69.450 25.737 44.712 1.00 16.87 C ATOM 955 C ILE A 124 68.737 26.054 43.419 1.00 17.63 C ATOM 956 O ILE A 124 67.945 25.182 42.925 1.00 18.73 O ATOM 957 CB ILE A 124 68.579 25.499 45.890 1.00 16.44 C ATOM 958 CG1 ILE A 124 67.707 26.687 46.346 1.00 17.12 C ATOM 959 CG2 ILE A 124 69.370 25.024 47.069 1.00 16.66 C ATOM 960 CD1 ILE A 124 66.440 26.291 47.031 1.00 19.30 C ATOM 961 N ARG A 125 69.054 27.162 42.773 1.00 18.46 N ATOM 962 CA ARG A 125 68.420 27.479 41.480 1.00 20.83 C ATOM 963 C ARG A 125 68.658 26.370 40.529 1.00 20.48 C ATOM 964 O ARG A 125 69.766 25.737 40.453 1.00 20.98 O ATOM 965 CB ARG A 125 68.974 28.825 40.910 1.00 24.67 C ATOM 966 CG ARG A 125 67.945 29.934 40.986 1.00 28.70 C ATOM 967 CD ARG A 125 68.262 31.201 40.339 1.00 30.65 C ATOM 968 NE ARG A 125 68.974 32.072 41.328 1.00 33.12 N ATOM 969 CZ ARG A 125 68.420 32.389 42.506 1.00 33.40 C ATOM 970 NH1 ARG A 125 67.232 31.914 42.811 1.00 34.04 N ATOM 971 NH2 ARG A 125 69.054 33.260 43.343 1.00 33.50 N ATOM 972 N GLY A 126 67.549 25.974 39.807 1.00 19.97 N ATOM 973 CA GLY A 126 67.549 24.866 38.856 1.00 18.07 C ATOM 974 C GLY A 126 67.232 23.519 39.313 1.00 18.26 C ATOM 975 O GLY A 126 66.916 22.648 38.476 1.00 18.06 O ATOM 976 N CYS A 127 67.312 23.203 40.605 1.00 18.53 N ATOM 977 CA CYS A 127 67.074 21.936 41.138 1.00 19.37 C ATOM 978 C CYS A 127 65.569 21.540 41.328 1.00 20.21 C ATOM 979 O CYS A 127 64.698 22.332 41.670 1.00 19.62 O ATOM 980 CB CYS A 127 67.787 21.698 42.506 1.00 18.82 C ATOM 981 SG CYS A 127 69.529 22.173 42.468 1.00 19.74 S ATOM 982 N ARG A 128 65.332 20.273 41.176 1.00 21.99 N ATOM 983 CA ARG A 128 63.986 19.718 41.328 1.00 24.33 C ATOM 984 C ARG A 128 63.906 19.402 42.811 1.00 25.29 C ATOM 985 O ARG A 128 64.698 18.451 43.191 1.00 26.43 O ATOM 986 CB ARG A 128 63.827 18.530 40.415 1.00 25.16 C ATOM 987 CG ARG A 128 62.481 17.976 40.149 1.00 26.70 C ATOM 988 CD ARG A 128 62.481 16.788 39.237 1.00 27.59 C ATOM 989 NE ARG A 128 62.956 17.184 37.906 1.00 29.76 N ATOM 990 CZ ARG A 128 63.590 16.313 37.070 1.00 30.37 C ATOM 991 NH1 ARG A 128 64.065 15.204 37.564 1.00 30.80 N ATOM 992 NH2 ARG A 128 63.906 16.630 35.815 1.00 31.27 N ATOM 993 N LEU A 129 63.194 20.114 43.571 1.00 26.42 N ATOM 994 CA LEU A 129 63.194 19.956 45.054 1.00 27.89 C ATOM 995 C LEU A 129 61.768 19.956 45.624 1.00 28.79 C ATOM 996 O LEU A 129 61.451 19.243 46.651 1.00 29.34 O ATOM 997 CB LEU A 129 64.144 20.906 45.624 1.00 27.64 C ATOM 998 CG LEU A 129 65.569 20.589 46.080 1.00 28.27 C ATOM 999 CD1 LEU A 129 66.044 19.322 45.472 1.00 28.04 C ATOM 1000 CD2 LEU A 129 66.520 21.698 45.700 1.00 28.64 C ATOM 1001 OXT LEU A 129 60.818 20.431 44.864 1.00 30.06 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 70.947 31.656 64.331 1.00 3.58 O HETATM 1004 O HOH A 131 80.761 16.485 57.722 1.00 8.40 O HETATM 1005 O HOH A 132 93.114 15.217 64.756 1.00 8.63 O HETATM 1006 O HOH A 133 90.818 11.892 70.915 1.00 10.75 O HETATM 1007 O HOH A 134 91.069 13.621 53.114 1.00 11.65 O HETATM 1008 O HOH A 135 78.161 11.245 57.030 1.00 12.05 O HETATM 1009 O HOH A 136 86.858 14.584 69.813 1.00 13.62 O HETATM 1010 O HOH A 137 89.472 6.111 69.166 1.00 14.88 O HETATM 1011 O HOH A 138 67.938 29.043 49.845 1.00 15.21 O HETATM 1012 O HOH A 139 84.892 10.849 47.525 1.00 15.34 O HETATM 1013 O HOH A 140 78.873 11.878 54.977 1.00 15.52 O HETATM 1014 O HOH A 141 88.997 13.159 68.976 1.00 15.73 O HETATM 1015 O HOH A 142 79.903 36.348 53.152 1.00 16.11 O HETATM 1016 O HOH A 143 83.545 33.260 47.639 1.00 16.72 O HETATM 1017 O HOH A 144 86.951 28.746 52.201 1.00 17.03 O HETATM 1018 O HOH A 145 80.595 33.821 47.600 1.00 17.48 O HETATM 1019 O HOH A 146 82.833 21.698 63.379 1.00 18.23 O HETATM 1020 O HOH A 147 75.851 8.540 57.759 1.00 18.35 O HETATM 1021 O HOH A 148 87.096 12.446 71.562 1.00 18.42 O HETATM 1022 O HOH A 149 80.536 13.779 54.749 1.00 19.31 O HETATM 1023 O HOH A 150 73.568 19.639 40.073 1.00 20.09 O HETATM 1024 O HOH A 151 73.488 17.263 40.719 1.00 20.55 O HETATM 1025 O HOH A 152 82.041 10.532 43.305 1.00 21.56 O HETATM 1026 O HOH A 153 86.951 28.192 46.118 1.00 21.84 O HETATM 1027 O HOH A 154 88.534 22.807 57.068 1.00 21.92 O HETATM 1028 O HOH A 155 98.420 10.387 63.730 1.00 22.07 O HETATM 1029 O HOH A 156 80.219 18.372 42.392 1.00 22.28 O HETATM 1030 O HOH A 157 87.584 17.897 48.666 1.00 22.32 O HETATM 1031 O HOH A 158 82.595 7.523 48.704 1.00 22.79 O HETATM 1032 O HOH A 159 77.045 27.380 66.878 1.00 23.41 O HETATM 1033 O HOH A 160 76.649 32.290 47.640 1.00 24.15 O HETATM 1034 O HOH A 161 86.871 25.103 49.084 1.00 24.58 O HETATM 1035 O HOH A 162 95.503 19.006 56.041 1.00 25.27 O HETATM 1036 O HOH A 163 84.733 26.370 60.680 1.00 25.58 O HETATM 1037 O HOH A 164 67.787 18.451 39.579 1.00 26.94 O HETATM 1038 O HOH A 165 64.368 19.943 54.984 1.00 27.47 O HETATM 1039 O HOH A 166 85.446 29.459 44.293 1.00 28.64 O HETATM 1040 O HOH A 167 93.748 7.536 71.486 1.00 29.00 O HETATM 1041 O HOH A 168 78.319 7.206 58.665 1.00 29.76 O HETATM 1042 O HOH A 169 70.717 15.838 65.356 1.00 30.64 O HETATM 1043 O HOH A 170 78.549 37.120 63.989 1.00 31.08 O HETATM 1044 O HOH A 171 64.619 14.809 48.704 1.00 31.78 O HETATM 1045 O HOH A 172 65.094 25.024 43.229 1.00 32.05 O HETATM 1046 O HOH A 173 70.321 12.750 46.841 1.00 32.13 O HETATM 1047 O HOH A 174 75.943 12.116 64.140 1.00 32.72 O HETATM 1048 O HOH A 175 95.728 17.831 70.383 1.00 33.25 O HETATM 1049 O HOH A 176 82.199 27.875 43.153 1.00 33.33 O HETATM 1050 O HOH A 177 78.391 38.862 52.659 1.00 33.34 O HETATM 1051 O HOH A 178 73.092 28.271 40.719 1.00 33.94 O HETATM 1052 O HOH A 179 84.496 25.499 41.404 1.00 34.31 O HETATM 1053 O HOH A 180 81.962 23.519 62.467 1.00 34.41 O HETATM 1054 O HOH A 181 59.313 17.897 40.605 1.00 35.17 O HETATM 1055 O HOH A 182 64.058 24.529 62.962 1.00 35.43 O HETATM 1056 O HOH A 183 89.788 12.842 73.539 1.00 36.10 O HETATM 1057 O HOH A 184 84.575 23.361 60.832 1.00 36.18 O HETATM 1058 O HOH A 185 93.999 15.204 56.688 1.00 36.50 O HETATM 1059 O HOH A 186 72.921 10.440 51.410 1.00 37.19 O HETATM 1060 O HOH A 187 80.378 4.910 53.114 1.00 37.20 O HETATM 1061 O HOH A 188 74.835 21.936 71.097 1.00 37.28 O HETATM 1062 O HOH A 189 85.525 17.501 44.978 1.00 37.88 O HETATM 1063 O HOH A 190 94.236 25.499 61.288 1.00 38.12 O HETATM 1064 O HOH A 191 75.138 8.935 48.787 1.00 38.13 O HETATM 1065 O HOH A 192 71.350 38.407 53.836 1.00 38.68 O HETATM 1066 O HOH A 193 76.339 31.280 43.571 1.00 38.70 O HETATM 1067 O HOH A 194 68.017 37.278 46.804 1.00 38.74 O HETATM 1068 O HOH A 195 84.245 6.903 69.547 1.00 39.63 O HETATM 1069 O HOH A 196 87.267 24.707 57.638 1.00 39.67 O HETATM 1070 O HOH A 197 69.925 15.838 40.263 1.00 40.07 O HETATM 1071 O HOH A 198 62.632 22.074 61.822 1.00 40.46 O HETATM 1072 O HOH A 199 78.398 23.915 41.822 1.00 40.86 O HETATM 1073 O HOH A 200 92.316 20.676 70.301 1.00 41.49 O HETATM 1074 O HOH A 201 78.952 20.906 41.480 1.00 41.73 O HETATM 1075 O HOH A 202 85.208 25.182 46.536 1.00 41.91 O HETATM 1076 O HOH A 203 88.534 5.464 40.910 1.00 43.12 O HETATM 1077 O HOH A 204 72.129 6.243 51.866 1.00 43.97 O HETATM 1078 O HOH A 205 82.358 19.639 43.153 1.00 44.15 O HETATM 1079 O HOH A 206 65.008 26.746 50.035 1.00 44.43 O HETATM 1080 O HOH A 207 79.256 12.446 73.995 1.00 45.98 O HETATM 1081 O HOH A 208 81.632 16.564 77.683 1.00 46.46 O HETATM 1082 O HOH A 209 88.125 10.387 74.185 1.00 47.31 O HETATM 1083 O HOH A 210 76.973 19.402 39.047 1.00 47.85 O HETATM 1084 O HOH A 211 82.674 24.866 64.634 1.00 48.83 O HETATM 1085 O HOH A 212 60.343 17.184 37.374 1.00 48.85 O HETATM 1086 O HOH A 213 62.791 23.816 49.275 1.00 49.28 O HETATM 1087 O HOH A 214 72.683 4.026 54.262 1.00 49.52 O HETATM 1088 O HOH A 215 75.310 17.659 72.998 1.00 49.93 O HETATM 1089 O HOH A 216 85.050 8.077 41.328 1.00 50.17 O HETATM 1090 O HOH A 217 79.724 26.061 68.666 1.00 50.30 O HETATM 1091 O HOH A 218 77.844 40.070 56.232 1.00 51.30 O HETATM 1092 O HOH A 219 88.772 19.402 46.308 1.00 51.47 O HETATM 1093 O HOH A 220 62.323 24.074 43.875 1.00 51.63 O HETATM 1094 O HOH A 221 82.345 14.188 75.021 1.00 52.04 O HETATM 1095 O HOH A 222 86.396 7.444 37.184 1.00 53.73 O HETATM 1096 O HOH A 223 74.669 39.733 56.119 1.00 54.14 O HETATM 1097 O HOH A 224 82.595 11.007 40.719 1.00 56.47 O HETATM 1098 O HOH A 225 79.190 39.516 50.224 1.00 57.31 O HETATM 1099 O HOH A 226 72.921 7.352 47.722 1.00 57.49 O HETATM 1100 O HOH A 227 79.824 29.617 40.605 1.00 59.11 O HETATM 1101 O HOH A 228 65.015 16.867 63.075 1.00 64.87 O HETATM 1102 O HOH A 229 67.774 12.499 49.167 1.00 64.92 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 423 0 0 4 5 11 0 6 1101 1 8 10 END