HEADER HYDROLASE(O-GLYCOSYL) 20-MAR-92 5LYT 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 5LYT 1 VERSN REVDAT 1 31-OCT-93 5LYT 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) : 0.176 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 : 237 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) : 0.020 ; 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 5LYT 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 (%): 37.98 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.98 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.49000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.21000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.21000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.73500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.21000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.21000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.24500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.21000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.21000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.73500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.21000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.21000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.24500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.49000 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 CB PRO A 79 O HOH A 357 1.54 REMARK 500 NH2 ARG A 73 O HOH A 168 1.85 REMARK 500 OD2 ASP A 48 O HOH A 222 1.99 REMARK 500 O GLY A 67 O HOH A 263 2.06 REMARK 500 NH1 ARG A 14 O HOH A 234 2.06 REMARK 500 O HOH A 281 O HOH A 315 2.08 REMARK 500 CB THR A 118 O HOH A 244 2.12 REMARK 500 OG1 THR A 47 O HOH A 200 2.12 REMARK 500 O HOH A 145 O HOH A 184 2.13 REMARK 500 O HOH A 172 O HOH A 203 2.13 REMARK 500 O HOH A 175 O HOH A 228 2.14 REMARK 500 O GLN A 57 O HOH A 355 2.14 REMARK 500 O HOH A 150 O HOH A 163 2.15 REMARK 500 NZ LYS A 116 O HOH A 287 2.16 REMARK 500 O HOH A 144 O HOH A 158 2.16 REMARK 500 CB ARG A 14 O HOH A 326 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 259 O HOH A 259 8667 1.62 REMARK 500 O HOH A 321 O HOH A 321 8667 1.97 REMARK 500 O HOH A 197 O HOH A 197 7648 2.12 REMARK 500 O HOH A 251 O HOH A 360 8668 2.16 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 OE2 -0.095 REMARK 500 ARG A 68 CZ ARG A 68 NH2 0.079 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 7 CA - CB - CG ANGL. DEV. = 23.5 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = -6.5 DEGREES REMARK 500 CYS A 30 CA - CB - SG ANGL. DEV. = 11.0 DEGREES REMARK 500 PHE A 38 C - N - CA ANGL. DEV. = 17.5 DEGREES REMARK 500 ASN A 39 CB - CG - OD1 ANGL. DEV. = 13.3 DEGREES REMARK 500 ARG A 45 CD - NE - CZ ANGL. DEV. = 10.1 DEGREES REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASN A 46 O - C - N ANGL. DEV. = 10.2 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ILE A 55 C - N - CA ANGL. DEV. = 15.6 DEGREES REMARK 500 ARG A 61 NE - CZ - NH1 ANGL. DEV. = -4.1 DEGREES REMARK 500 ASP A 66 O - C - N ANGL. DEV. = -20.8 DEGREES REMARK 500 ARG A 68 CD - NE - CZ ANGL. DEV. = 21.3 DEGREES REMARK 500 SER A 72 CA - C - O ANGL. DEV. = 12.7 DEGREES REMARK 500 ALA A 110 CB - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 114 NH1 - CZ - NH2 ANGL. DEV. = 7.9 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 125 CD - NE - CZ ANGL. DEV. = -9.5 DEGREES REMARK 500 ARG A 125 NH1 - CZ - NH2 ANGL. DEV. = 6.9 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = -8.2 DEGREES REMARK 500 ARG A 128 CD - NE - CZ ANGL. DEV. = 27.9 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 TRP A 62 -29.56 -144.36 REMARK 500 THR A 69 79.74 -109.65 REMARK 500 PRO A 70 -58.26 -21.24 REMARK 500 SER A 72 153.40 -37.97 REMARK 500 SER A 85 170.96 -55.19 REMARK 500 ASP A 101 82.97 -65.12 REMARK 500 ASN A 103 14.43 -62.69 REMARK 500 ASP A 119 87.00 -67.67 REMARK 500 ARG A 128 91.85 -62.97 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 125 0.08 SIDE_CHAIN 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 278 DISTANCE = 8.68 ANGSTROMS REMARK 525 HOH A 300 DISTANCE = 7.61 ANGSTROMS REMARK 525 HOH A 319 DISTANCE = 6.28 ANGSTROMS REMARK 525 HOH A 327 DISTANCE = 7.81 ANGSTROMS REMARK 525 HOH A 337 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH A 341 DISTANCE = 8.17 ANGSTROMS REMARK 525 HOH A 347 DISTANCE = 5.29 ANGSTROMS REMARK 525 HOH A 351 DISTANCE = 5.33 ANGSTROMS REMARK 525 HOH A 353 DISTANCE = 9.75 ANGSTROMS REMARK 525 HOH A 364 DISTANCE = 5.79 ANGSTROMS DBREF 5LYT 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 *237(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 2.19 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.28 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.36 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.58 CRYST1 78.420 78.420 36.980 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 0.012752 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012752 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027042 0.00000 ATOM 1 N LYS A 1 81.635 10.273 46.780 1.00 3.61 N ATOM 2 CA LYS A 1 80.694 10.665 45.707 1.00 4.40 C ATOM 3 C LYS A 1 80.694 12.234 45.485 1.00 5.25 C ATOM 4 O LYS A 1 80.773 13.018 46.447 1.00 6.76 O ATOM 5 CB LYS A 1 79.361 10.195 46.188 1.00 3.22 C ATOM 6 CG LYS A 1 78.185 10.587 45.411 1.00 2.80 C ATOM 7 CD LYS A 1 76.852 9.959 45.670 1.00 1.59 C ATOM 8 CE LYS A 1 75.911 10.587 44.635 1.00 0.81 C ATOM 9 NZ LYS A 1 74.499 10.351 45.005 1.00 0.50 N ATOM 10 N VAL A 2 80.773 12.626 44.228 1.00 5.76 N ATOM 11 CA VAL A 2 80.773 14.116 43.932 1.00 5.65 C ATOM 12 C VAL A 2 79.283 14.351 43.488 1.00 6.29 C ATOM 13 O VAL A 2 79.047 13.880 42.379 1.00 5.56 O ATOM 14 CB VAL A 2 81.714 14.586 42.897 1.00 5.06 C ATOM 15 CG1 VAL A 2 81.714 16.155 42.675 1.00 3.87 C ATOM 16 CG2 VAL A 2 83.204 14.194 43.119 1.00 6.06 C ATOM 17 N PHE A 3 78.498 14.978 44.302 1.00 5.81 N ATOM 18 CA PHE A 3 77.165 15.292 44.043 1.00 7.21 C ATOM 19 C PHE A 3 77.008 16.390 42.934 1.00 7.47 C ATOM 20 O PHE A 3 77.949 17.096 42.601 1.00 6.90 O ATOM 21 CB PHE A 3 76.381 15.841 45.264 1.00 7.32 C ATOM 22 CG PHE A 3 75.832 14.743 46.114 1.00 7.97 C ATOM 23 CD1 PHE A 3 76.695 14.037 46.891 1.00 7.89 C ATOM 24 CD2 PHE A 3 74.499 14.429 46.114 1.00 8.05 C ATOM 25 CE1 PHE A 3 76.224 12.939 47.704 1.00 7.76 C ATOM 26 CE2 PHE A 3 73.950 13.331 46.854 1.00 7.17 C ATOM 27 CZ PHE A 3 74.813 12.626 47.667 1.00 8.78 C ATOM 28 N GLY A 4 75.754 16.390 42.490 1.00 7.83 N ATOM 29 CA GLY A 4 75.362 17.409 41.455 1.00 8.02 C ATOM 30 C GLY A 4 74.813 18.507 42.416 1.00 8.54 C ATOM 31 O GLY A 4 74.577 18.193 43.599 1.00 8.21 O ATOM 32 N ARG A 5 74.656 19.683 41.861 1.00 8.45 N ATOM 33 CA ARG A 5 74.028 20.781 42.601 1.00 8.82 C ATOM 34 C ARG A 5 72.617 20.468 42.971 1.00 9.67 C ATOM 35 O ARG A 5 72.146 20.624 44.117 1.00 8.88 O ATOM 36 CB ARG A 5 74.028 22.036 41.639 1.00 7.96 C ATOM 37 CG ARG A 5 73.480 23.291 42.157 1.00 6.43 C ATOM 38 CD ARG A 5 73.793 24.467 41.307 1.00 6.91 C ATOM 39 NE ARG A 5 73.244 24.389 39.938 1.00 6.05 N ATOM 40 CZ ARG A 5 71.990 24.781 39.680 1.00 6.62 C ATOM 41 NH1 ARG A 5 71.205 25.251 40.604 1.00 6.30 N ATOM 42 NH2 ARG A 5 71.519 24.781 38.422 1.00 7.33 N ATOM 43 N CYS A 6 71.911 19.997 41.935 1.00 9.85 N ATOM 44 CA CYS A 6 70.500 19.683 42.009 1.00 10.96 C ATOM 45 C CYS A 6 70.264 18.272 42.638 1.00 10.90 C ATOM 46 O CYS A 6 69.088 18.037 43.119 1.00 10.94 O ATOM 47 CB CYS A 6 69.794 19.762 40.641 1.00 11.92 C ATOM 48 SG CYS A 6 70.029 21.487 40.049 1.00 15.61 S ATOM 49 N GLU A 7 71.284 17.488 42.564 1.00 10.15 N ATOM 50 CA GLU A 7 71.049 16.076 43.156 1.00 9.76 C ATOM 51 C GLU A 7 71.754 15.998 44.487 1.00 9.35 C ATOM 52 O GLU A 7 72.146 14.978 45.079 1.00 10.30 O ATOM 53 CB GLU A 7 71.205 14.978 42.231 1.00 9.77 C ATOM 54 CG GLU A 7 72.303 14.351 41.492 1.00 9.18 C ATOM 55 CD GLU A 7 73.480 13.723 42.305 1.00 8.21 C ATOM 56 OE1 GLU A 7 73.087 13.096 43.341 1.00 9.59 O ATOM 57 OE2 GLU A 7 74.577 13.880 41.972 1.00 7.69 O ATOM 58 N LEU A 8 71.990 17.252 44.968 1.00 8.99 N ATOM 59 CA LEU A 8 72.539 17.488 46.336 1.00 7.61 C ATOM 60 C LEU A 8 71.284 18.193 46.965 1.00 6.80 C ATOM 61 O LEU A 8 70.735 17.488 47.852 1.00 7.44 O ATOM 62 CB LEU A 8 73.793 18.193 46.558 1.00 5.75 C ATOM 63 CG LEU A 8 74.028 18.586 48.037 1.00 3.39 C ATOM 64 CD1 LEU A 8 74.185 17.331 48.814 1.00 2.84 C ATOM 65 CD2 LEU A 8 75.126 19.605 48.148 1.00 3.89 C ATOM 66 N ALA A 9 70.892 19.370 46.521 1.00 6.33 N ATOM 67 CA ALA A 9 69.637 19.919 47.113 1.00 5.99 C ATOM 68 C ALA A 9 68.696 18.821 47.482 1.00 5.71 C ATOM 69 O ALA A 9 68.225 18.664 48.666 1.00 6.88 O ATOM 70 CB ALA A 9 68.931 20.938 46.225 1.00 4.85 C ATOM 71 N ALA A 10 68.382 17.958 46.558 1.00 5.85 N ATOM 72 CA ALA A 10 67.441 16.860 46.669 1.00 5.24 C ATOM 73 C ALA A 10 67.676 15.998 47.852 1.00 5.81 C ATOM 74 O ALA A 10 66.657 15.684 48.592 1.00 4.27 O ATOM 75 CB ALA A 10 67.363 16.076 45.337 1.00 5.30 C ATOM 76 N ALA A 11 68.853 15.527 48.037 1.00 6.11 N ATOM 77 CA ALA A 11 69.166 14.508 49.146 1.00 7.08 C ATOM 78 C ALA A 11 69.010 15.292 50.441 1.00 7.39 C ATOM 79 O ALA A 11 68.461 14.743 51.402 1.00 7.57 O ATOM 80 CB ALA A 11 70.421 13.802 48.999 1.00 6.60 C ATOM 81 N MET A 12 69.480 16.468 50.404 1.00 7.48 N ATOM 82 CA MET A 12 69.402 17.409 51.550 1.00 7.31 C ATOM 83 C MET A 12 67.990 17.488 52.031 1.00 7.82 C ATOM 84 O MET A 12 67.676 17.409 53.251 1.00 7.91 O ATOM 85 CB MET A 12 70.029 18.821 51.180 1.00 6.71 C ATOM 86 CG MET A 12 71.519 18.742 51.180 1.00 6.61 C ATOM 87 SD MET A 12 72.225 20.389 50.958 1.00 7.18 S ATOM 88 CE MET A 12 73.872 20.154 51.550 1.00 8.22 C ATOM 89 N LYS A 13 67.049 17.723 51.106 1.00 7.71 N ATOM 90 CA LYS A 13 65.638 17.880 51.291 1.00 9.07 C ATOM 91 C LYS A 13 65.010 16.625 51.846 1.00 9.64 C ATOM 92 O LYS A 13 64.383 16.703 52.918 1.00 10.29 O ATOM 93 CB LYS A 13 64.932 18.429 50.071 1.00 9.36 C ATOM 94 CG LYS A 13 63.442 18.664 50.367 1.00 11.19 C ATOM 95 CD LYS A 13 62.736 19.605 49.368 1.00 12.48 C ATOM 96 CE LYS A 13 61.246 19.291 49.220 1.00 13.05 C ATOM 97 NZ LYS A 13 61.168 17.801 48.999 1.00 12.27 N ATOM 98 N ARG A 14 65.167 15.449 51.217 1.00 10.19 N ATOM 99 CA ARG A 14 64.618 14.194 51.698 1.00 9.96 C ATOM 100 C ARG A 14 65.245 13.880 53.066 1.00 10.58 C ATOM 101 O ARG A 14 64.775 12.939 53.806 1.00 9.46 O ATOM 102 CB ARG A 14 64.697 13.096 50.700 1.00 11.26 C ATOM 103 CG ARG A 14 66.030 12.782 50.108 1.00 10.68 C ATOM 104 CD ARG A 14 66.186 11.449 49.590 1.00 11.19 C ATOM 105 NE ARG A 14 66.500 10.351 50.515 1.00 12.59 N ATOM 106 CZ ARG A 14 65.638 9.567 51.180 1.00 11.52 C ATOM 107 NH1 ARG A 14 64.304 9.881 51.180 1.00 12.44 N ATOM 108 NH2 ARG A 14 66.030 8.548 51.883 1.00 11.60 N ATOM 109 N HIS A 15 66.265 14.586 53.362 1.00 11.20 N ATOM 110 CA HIS A 15 67.049 14.351 54.656 1.00 11.87 C ATOM 111 C HIS A 15 66.735 15.527 55.655 1.00 12.10 C ATOM 112 O HIS A 15 67.520 15.684 56.579 1.00 12.23 O ATOM 113 CB HIS A 15 68.461 14.116 54.398 1.00 12.85 C ATOM 114 CG HIS A 15 68.774 12.782 53.917 1.00 12.95 C ATOM 115 ND1 HIS A 15 69.166 12.469 52.586 1.00 13.14 N ATOM 116 CD2 HIS A 15 68.774 11.606 54.619 1.00 13.02 C ATOM 117 CE1 HIS A 15 69.323 11.214 52.512 1.00 12.50 C ATOM 118 NE2 HIS A 15 69.166 10.587 53.695 1.00 11.42 N ATOM 119 N GLY A 16 65.638 16.155 55.544 1.00 11.83 N ATOM 120 CA GLY A 16 65.089 17.174 56.358 1.00 11.89 C ATOM 121 C GLY A 16 65.873 18.429 56.579 1.00 11.57 C ATOM 122 O GLY A 16 65.559 19.291 57.504 1.00 11.12 O ATOM 123 N LEU A 17 66.892 18.742 55.766 1.00 11.83 N ATOM 124 CA LEU A 17 67.755 19.919 55.877 1.00 11.54 C ATOM 125 C LEU A 17 67.128 21.173 55.322 1.00 12.07 C ATOM 126 O LEU A 17 67.598 22.350 55.618 1.00 12.16 O ATOM 127 CB LEU A 17 69.088 19.683 55.211 1.00 11.41 C ATOM 128 CG LEU A 17 70.264 19.370 56.099 1.00 10.09 C ATOM 129 CD1 LEU A 17 71.519 19.840 55.322 1.00 9.37 C ATOM 130 CD2 LEU A 17 70.186 19.997 57.467 1.00 9.82 C ATOM 131 N ASP A 18 66.108 21.017 54.509 1.00 12.40 N ATOM 132 CA ASP A 18 65.402 22.114 53.843 1.00 12.57 C ATOM 133 C ASP A 18 64.540 22.977 54.878 1.00 11.61 C ATOM 134 O ASP A 18 63.520 22.663 55.433 1.00 10.61 O ATOM 135 CB ASP A 18 64.540 21.487 52.697 1.00 14.62 C ATOM 136 CG ASP A 18 63.677 22.585 52.031 1.00 15.28 C ATOM 137 OD1 ASP A 18 64.226 23.683 52.068 1.00 16.45 O ATOM 138 OD2 ASP A 18 62.579 22.350 51.513 1.00 15.44 O ATOM 139 N ASN A 19 65.089 24.153 55.063 1.00 11.14 N ATOM 140 CA ASN A 19 64.775 25.251 55.877 1.00 10.40 C ATOM 141 C ASN A 19 64.853 24.859 57.393 1.00 9.65 C ATOM 142 O ASN A 19 63.991 25.251 58.133 1.00 9.53 O ATOM 143 CB ASN A 19 63.363 25.879 55.618 1.00 11.05 C ATOM 144 CG ASN A 19 63.599 27.369 55.840 1.00 10.65 C ATOM 145 OD1 ASN A 19 63.285 27.839 56.912 1.00 10.91 O ATOM 146 ND2 ASN A 19 64.148 28.074 54.841 1.00 10.89 N ATOM 147 N TYR A 20 65.951 24.153 57.652 1.00 8.76 N ATOM 148 CA TYR A 20 66.265 23.683 59.020 1.00 8.01 C ATOM 149 C TYR A 20 66.814 24.859 59.797 1.00 8.04 C ATOM 150 O TYR A 20 67.912 25.408 59.353 1.00 8.06 O ATOM 151 CB TYR A 20 67.206 22.507 58.946 1.00 8.47 C ATOM 152 CG TYR A 20 67.363 21.879 60.351 1.00 8.38 C ATOM 153 CD1 TYR A 20 66.422 20.938 60.795 1.00 8.07 C ATOM 154 CD2 TYR A 20 68.304 22.271 61.202 1.00 7.69 C ATOM 155 CE1 TYR A 20 66.500 20.389 62.052 1.00 8.71 C ATOM 156 CE2 TYR A 20 68.461 21.801 62.496 1.00 7.71 C ATOM 157 CZ TYR A 20 67.520 20.860 62.903 1.00 8.87 C ATOM 158 OH TYR A 20 67.676 20.311 64.160 1.00 8.51 O ATOM 159 N ARG A 21 66.265 25.173 60.943 1.00 8.41 N ATOM 160 CA ARG A 21 66.657 26.271 61.831 1.00 8.83 C ATOM 161 C ARG A 21 66.579 27.525 61.017 1.00 8.74 C ATOM 162 O ARG A 21 67.363 28.466 61.276 1.00 8.51 O ATOM 163 CB ARG A 21 68.069 26.114 62.459 1.00 10.53 C ATOM 164 CG ARG A 21 68.304 25.016 63.458 1.00 12.51 C ATOM 165 CD ARG A 21 67.441 24.938 64.678 1.00 13.52 C ATOM 166 NE ARG A 21 67.990 25.800 65.750 1.00 15.07 N ATOM 167 CZ ARG A 21 67.990 25.408 67.008 1.00 15.14 C ATOM 168 NH1 ARG A 21 67.520 24.232 67.378 1.00 15.68 N ATOM 169 NH2 ARG A 21 68.461 26.192 67.969 1.00 16.71 N ATOM 170 N GLY A 22 65.716 27.525 60.056 1.00 8.07 N ATOM 171 CA GLY A 22 65.402 28.466 59.094 1.00 8.84 C ATOM 172 C GLY A 22 66.343 28.702 57.911 1.00 8.81 C ATOM 173 O GLY A 22 66.265 29.800 57.319 1.00 8.42 O ATOM 174 N TYR A 23 67.206 27.761 57.615 1.00 9.29 N ATOM 175 CA TYR A 23 68.147 27.839 56.505 1.00 8.70 C ATOM 176 C TYR A 23 67.676 26.898 55.359 1.00 8.96 C ATOM 177 O TYR A 23 67.676 25.722 55.433 1.00 8.86 O ATOM 178 CB TYR A 23 69.559 27.369 56.875 1.00 8.35 C ATOM 179 CG TYR A 23 70.264 28.388 57.837 1.00 8.56 C ATOM 180 CD1 TYR A 23 70.892 29.486 57.319 1.00 7.80 C ATOM 181 CD2 TYR A 23 70.264 28.153 59.205 1.00 8.82 C ATOM 182 CE1 TYR A 23 71.519 30.427 58.170 1.00 9.87 C ATOM 183 CE2 TYR A 23 70.892 29.015 60.093 1.00 9.46 C ATOM 184 CZ TYR A 23 71.519 30.192 59.538 1.00 9.88 C ATOM 185 OH TYR A 23 72.146 31.054 60.425 1.00 10.67 O ATOM 186 N SER A 24 67.363 27.604 54.287 1.00 9.56 N ATOM 187 CA SER A 24 66.814 27.055 53.029 1.00 9.52 C ATOM 188 C SER A 24 67.833 26.192 52.364 1.00 8.48 C ATOM 189 O SER A 24 69.010 26.349 52.697 1.00 9.63 O ATOM 190 CB SER A 24 66.422 28.231 52.142 1.00 9.93 C ATOM 191 OG SER A 24 67.676 28.937 51.809 1.00 10.59 O ATOM 192 N LEU A 25 67.441 25.330 51.402 1.00 7.96 N ATOM 193 CA LEU A 25 68.382 24.467 50.663 1.00 6.86 C ATOM 194 C LEU A 25 69.559 25.330 50.108 1.00 6.94 C ATOM 195 O LEU A 25 70.735 24.859 50.219 1.00 7.15 O ATOM 196 CB LEU A 25 67.598 23.840 49.479 1.00 5.82 C ATOM 197 CG LEU A 25 67.206 22.428 49.738 1.00 5.86 C ATOM 198 CD1 LEU A 25 66.186 22.036 48.777 1.00 6.73 C ATOM 199 CD2 LEU A 25 68.382 21.487 49.701 1.00 4.24 C ATOM 200 N GLY A 26 69.166 26.428 49.516 1.00 6.07 N ATOM 201 CA GLY A 26 70.107 27.369 48.962 1.00 7.13 C ATOM 202 C GLY A 26 71.362 27.525 49.886 1.00 7.37 C ATOM 203 O GLY A 26 72.460 27.369 49.442 1.00 8.81 O ATOM 204 N ASN A 27 71.049 27.761 51.180 1.00 6.54 N ATOM 205 CA ASN A 27 72.146 27.918 52.179 1.00 6.04 C ATOM 206 C ASN A 27 73.009 26.741 52.290 1.00 5.42 C ATOM 207 O ASN A 27 74.264 26.820 52.179 1.00 4.95 O ATOM 208 CB ASN A 27 71.441 28.310 53.547 1.00 4.75 C ATOM 209 CG ASN A 27 71.205 29.800 53.510 1.00 4.19 C ATOM 210 OD1 ASN A 27 70.029 30.270 53.547 1.00 4.32 O ATOM 211 ND2 ASN A 27 72.225 30.662 53.436 1.00 3.47 N ATOM 212 N TRP A 28 72.382 25.565 52.512 1.00 5.39 N ATOM 213 CA TRP A 28 72.931 24.232 52.697 1.00 5.33 C ATOM 214 C TRP A 28 73.636 23.761 51.402 1.00 3.65 C ATOM 215 O TRP A 28 74.734 23.212 51.513 1.00 3.81 O ATOM 216 CB TRP A 28 71.833 23.291 53.140 1.00 6.25 C ATOM 217 CG TRP A 28 71.284 23.526 54.472 1.00 7.17 C ATOM 218 CD1 TRP A 28 69.951 23.918 54.730 1.00 8.32 C ATOM 219 CD2 TRP A 28 71.833 23.448 55.766 1.00 7.03 C ATOM 220 NE1 TRP A 28 69.715 24.075 56.062 1.00 7.52 N ATOM 221 CE2 TRP A 28 70.892 23.761 56.727 1.00 7.47 C ATOM 222 CE3 TRP A 28 73.166 23.134 56.173 1.00 7.14 C ATOM 223 CZ2 TRP A 28 71.127 23.761 58.096 1.00 7.10 C ATOM 224 CZ3 TRP A 28 73.401 23.134 57.541 1.00 6.08 C ATOM 225 CH2 TRP A 28 72.460 23.448 58.465 1.00 7.44 C ATOM 226 N VAL A 29 73.087 24.075 50.256 1.00 4.06 N ATOM 227 CA VAL A 29 73.793 23.683 48.999 1.00 2.79 C ATOM 228 C VAL A 29 75.048 24.545 48.814 1.00 3.30 C ATOM 229 O VAL A 29 76.146 23.997 48.592 1.00 2.41 O ATOM 230 CB VAL A 29 72.931 23.761 47.741 1.00 3.79 C ATOM 231 CG1 VAL A 29 73.715 23.212 46.484 1.00 1.07 C ATOM 232 CG2 VAL A 29 71.597 23.055 47.852 1.00 3.56 C ATOM 233 N CYS A 30 74.970 25.879 48.925 1.00 4.04 N ATOM 234 CA CYS A 30 76.146 26.741 48.777 1.00 4.23 C ATOM 235 C CYS A 30 77.244 26.349 49.775 1.00 5.44 C ATOM 236 O CYS A 30 78.498 26.271 49.479 1.00 4.42 O ATOM 237 CB CYS A 30 75.754 28.153 48.888 1.00 4.79 C ATOM 238 SG CYS A 30 76.852 29.486 49.146 1.00 5.92 S ATOM 239 N ALA A 31 76.852 26.114 50.995 1.00 6.00 N ATOM 240 CA ALA A 31 77.636 25.722 52.142 1.00 6.88 C ATOM 241 C ALA A 31 78.420 24.467 51.772 1.00 7.15 C ATOM 242 O ALA A 31 79.675 24.389 52.068 1.00 6.90 O ATOM 243 CB ALA A 31 76.616 25.408 53.251 1.00 8.09 C ATOM 244 N ALA A 32 77.793 23.448 51.180 1.00 6.94 N ATOM 245 CA ALA A 32 78.420 22.193 50.774 1.00 6.24 C ATOM 246 C ALA A 32 79.283 22.507 49.553 1.00 6.27 C ATOM 247 O ALA A 32 80.302 21.801 49.331 1.00 7.08 O ATOM 248 CB ALA A 32 77.401 21.095 50.478 1.00 5.50 C ATOM 249 N LYS A 33 78.891 23.448 48.814 1.00 5.50 N ATOM 250 CA LYS A 33 79.675 23.918 47.556 1.00 5.85 C ATOM 251 C LYS A 33 81.086 24.153 47.963 1.00 6.51 C ATOM 252 O LYS A 33 82.027 23.448 47.556 1.00 6.55 O ATOM 253 CB LYS A 33 79.047 25.094 46.928 1.00 2.95 C ATOM 254 CG LYS A 33 79.753 25.800 45.781 1.00 3.43 C ATOM 255 CD LYS A 33 80.224 24.859 44.709 1.00 1.13 C ATOM 256 CE LYS A 33 81.557 25.330 44.117 1.00 2.01 C ATOM 257 NZ LYS A 33 81.792 24.702 42.786 1.00 0.50 N ATOM 258 N PHE A 34 81.243 25.173 48.777 1.00 7.41 N ATOM 259 CA PHE A 34 82.498 25.722 49.257 1.00 8.31 C ATOM 260 C PHE A 34 83.282 24.859 50.293 1.00 8.15 C ATOM 261 O PHE A 34 84.537 25.016 50.404 1.00 8.42 O ATOM 262 CB PHE A 34 82.184 27.212 49.701 1.00 9.32 C ATOM 263 CG PHE A 34 81.557 28.074 48.629 1.00 10.23 C ATOM 264 CD1 PHE A 34 82.263 28.231 47.408 1.00 10.47 C ATOM 265 CD2 PHE A 34 80.381 28.623 48.777 1.00 9.75 C ATOM 266 CE1 PHE A 34 81.714 29.015 46.373 1.00 9.57 C ATOM 267 CE2 PHE A 34 79.753 29.408 47.778 1.00 10.07 C ATOM 268 CZ PHE A 34 80.459 29.564 46.558 1.00 9.90 C ATOM 269 N GLU A 35 82.576 24.075 51.032 1.00 7.72 N ATOM 270 CA GLU A 35 83.125 23.212 52.031 1.00 7.83 C ATOM 271 C GLU A 35 83.753 21.879 51.439 1.00 7.43 C ATOM 272 O GLU A 35 84.929 21.487 51.772 1.00 6.33 O ATOM 273 CB GLU A 35 82.106 22.820 53.140 1.00 7.25 C ATOM 274 CG GLU A 35 81.792 23.840 54.213 1.00 6.50 C ATOM 275 CD GLU A 35 82.890 24.545 54.989 1.00 7.47 C ATOM 276 OE1 GLU A 35 83.988 23.840 55.026 1.00 8.18 O ATOM 277 OE2 GLU A 35 82.890 25.643 55.507 1.00 7.97 O ATOM 278 N SER A 36 83.047 21.330 50.478 1.00 6.65 N ATOM 279 CA SER A 36 83.517 20.076 49.812 1.00 5.81 C ATOM 280 C SER A 36 83.517 20.076 48.296 1.00 6.25 C ATOM 281 O SER A 36 84.066 19.134 47.704 1.00 5.87 O ATOM 282 CB SER A 36 82.576 18.978 50.219 1.00 6.24 C ATOM 283 OG SER A 36 81.165 19.448 50.108 1.00 5.89 O ATOM 284 N ASN A 37 82.968 21.095 47.667 1.00 5.57 N ATOM 285 CA ASN A 37 82.968 21.173 46.188 1.00 5.10 C ATOM 286 C ASN A 37 82.184 19.919 45.818 1.00 4.72 C ATOM 287 O ASN A 37 82.341 19.056 44.894 1.00 4.53 O ATOM 288 CB ASN A 37 84.302 21.330 45.559 1.00 4.46 C ATOM 289 CG ASN A 37 84.223 21.409 44.043 1.00 5.54 C ATOM 290 OD1 ASN A 37 83.282 22.114 43.525 1.00 5.34 O ATOM 291 ND2 ASN A 37 85.086 20.781 43.304 1.00 5.77 N ATOM 292 N PHE A 38 81.165 19.683 46.595 1.00 5.13 N ATOM 293 CA PHE A 38 80.145 18.742 46.743 1.00 4.51 C ATOM 294 C PHE A 38 80.694 17.331 46.780 1.00 4.09 C ATOM 295 O PHE A 38 79.832 16.468 46.373 1.00 4.60 O ATOM 296 CB PHE A 38 78.969 18.742 45.670 1.00 6.55 C ATOM 297 CG PHE A 38 78.342 19.997 45.337 1.00 7.80 C ATOM 298 CD1 PHE A 38 77.871 20.860 46.299 1.00 8.08 C ATOM 299 CD2 PHE A 38 78.263 20.389 43.969 1.00 8.98 C ATOM 300 CE1 PHE A 38 77.244 22.036 45.966 1.00 9.47 C ATOM 301 CE2 PHE A 38 77.636 21.566 43.599 1.00 8.23 C ATOM 302 CZ PHE A 38 77.165 22.428 44.598 1.00 9.74 C ATOM 303 N ASN A 39 81.870 17.017 47.260 1.00 2.26 N ATOM 304 CA ASN A 39 82.419 15.684 47.334 1.00 3.11 C ATOM 305 C ASN A 39 82.263 15.213 48.814 1.00 3.69 C ATOM 306 O ASN A 39 82.890 15.841 49.664 1.00 3.77 O ATOM 307 CB ASN A 39 83.831 15.606 46.928 1.00 2.94 C ATOM 308 CG ASN A 39 84.615 14.351 46.854 1.00 1.44 C ATOM 309 OD1 ASN A 39 84.380 13.175 47.076 1.00 3.28 O ATOM 310 ND2 ASN A 39 85.870 14.586 46.336 1.00 2.39 N ATOM 311 N THR A 40 81.635 14.037 48.925 1.00 3.85 N ATOM 312 CA THR A 40 81.478 13.410 50.219 1.00 4.47 C ATOM 313 C THR A 40 82.812 12.939 50.884 1.00 4.58 C ATOM 314 O THR A 40 82.733 12.626 52.105 1.00 4.30 O ATOM 315 CB THR A 40 80.459 12.234 50.145 1.00 4.82 C ATOM 316 OG1 THR A 40 81.086 11.136 49.442 1.00 4.89 O ATOM 317 CG2 THR A 40 79.204 12.626 49.516 1.00 4.22 C ATOM 318 N GLN A 41 83.909 12.861 50.145 1.00 4.71 N ATOM 319 CA GLN A 41 85.164 12.390 50.700 1.00 5.36 C ATOM 320 C GLN A 41 86.262 13.410 51.032 1.00 5.44 C ATOM 321 O GLN A 41 87.360 13.018 51.291 1.00 5.62 O ATOM 322 CB GLN A 41 85.713 11.292 49.738 1.00 6.09 C ATOM 323 CG GLN A 41 84.772 10.195 49.442 1.00 5.96 C ATOM 324 CD GLN A 41 85.086 9.567 48.074 1.00 6.45 C ATOM 325 OE1 GLN A 41 85.635 8.548 47.889 1.00 6.21 O ATOM 326 NE2 GLN A 41 84.537 10.351 47.039 1.00 7.15 N ATOM 327 N ALA A 42 85.870 14.665 51.032 1.00 4.65 N ATOM 328 CA ALA A 42 86.733 15.762 51.365 1.00 5.86 C ATOM 329 C ALA A 42 86.968 15.762 52.881 1.00 6.69 C ATOM 330 O ALA A 42 86.105 15.919 53.732 1.00 5.20 O ATOM 331 CB ALA A 42 85.948 17.017 50.995 1.00 3.90 C ATOM 332 N THR A 43 88.223 15.527 53.214 1.00 7.82 N ATOM 333 CA THR A 43 88.771 15.606 54.582 1.00 8.45 C ATOM 334 C THR A 43 89.869 16.703 54.435 1.00 8.73 C ATOM 335 O THR A 43 90.261 16.939 53.251 1.00 9.12 O ATOM 336 CB THR A 43 89.242 14.272 55.100 1.00 8.44 C ATOM 337 OG1 THR A 43 90.418 13.880 54.324 1.00 8.58 O ATOM 338 CG2 THR A 43 88.223 13.096 54.989 1.00 9.09 C ATOM 339 N ASN A 44 90.105 17.488 55.433 1.00 8.54 N ATOM 340 CA ASN A 44 91.046 18.586 55.470 1.00 9.44 C ATOM 341 C ASN A 44 91.516 18.821 56.912 1.00 9.19 C ATOM 342 O ASN A 44 90.732 19.056 57.800 1.00 9.57 O ATOM 343 CB ASN A 44 90.497 19.919 54.952 1.00 9.48 C ATOM 344 CG ASN A 44 91.202 20.232 53.621 1.00 9.24 C ATOM 345 OD1 ASN A 44 92.222 20.938 53.695 1.00 9.05 O ATOM 346 ND2 ASN A 44 90.654 19.762 52.549 1.00 7.65 N ATOM 347 N ARG A 45 92.849 18.742 57.060 1.00 9.85 N ATOM 348 CA ARG A 45 93.555 18.899 58.354 1.00 9.94 C ATOM 349 C ARG A 45 93.633 20.311 58.798 1.00 10.81 C ATOM 350 O ARG A 45 93.947 21.252 58.022 1.00 10.53 O ATOM 351 CB ARG A 45 94.967 18.350 58.207 1.00 10.33 C ATOM 352 CG ARG A 45 95.672 18.115 59.538 1.00 10.82 C ATOM 353 CD ARG A 45 94.888 17.174 60.351 1.00 12.18 C ATOM 354 NE ARG A 45 95.594 16.076 60.869 1.00 13.26 N ATOM 355 CZ ARG A 45 96.535 15.292 60.388 1.00 14.73 C ATOM 356 NH1 ARG A 45 97.006 15.292 59.131 1.00 14.95 N ATOM 357 NH2 ARG A 45 97.084 14.351 61.239 1.00 14.78 N ATOM 358 N ASN A 46 93.398 20.546 60.129 1.00 11.04 N ATOM 359 CA ASN A 46 93.555 21.958 60.610 1.00 11.83 C ATOM 360 C ASN A 46 94.967 22.114 61.165 1.00 12.99 C ATOM 361 O ASN A 46 95.594 21.017 61.165 1.00 13.25 O ATOM 362 CB ASN A 46 92.379 22.193 61.572 1.00 12.16 C ATOM 363 CG ASN A 46 91.124 22.193 60.721 1.00 10.23 C ATOM 364 OD1 ASN A 46 90.261 21.330 60.906 1.00 12.12 O ATOM 365 ND2 ASN A 46 91.124 23.134 59.797 1.00 11.95 N ATOM 366 N THR A 47 95.280 23.291 61.535 1.00 13.62 N ATOM 367 CA THR A 47 96.692 23.526 62.126 1.00 14.32 C ATOM 368 C THR A 47 96.535 22.977 63.606 1.00 14.09 C ATOM 369 O THR A 47 97.476 22.663 64.271 1.00 13.99 O ATOM 370 CB THR A 47 97.162 24.938 62.052 1.00 15.36 C ATOM 371 OG1 THR A 47 96.300 25.565 62.977 1.00 16.47 O ATOM 372 CG2 THR A 47 97.084 25.486 60.684 1.00 14.49 C ATOM 373 N ASP A 48 95.280 22.899 63.938 1.00 14.36 N ATOM 374 CA ASP A 48 94.653 22.428 65.159 1.00 14.82 C ATOM 375 C ASP A 48 95.123 21.017 65.492 1.00 13.93 C ATOM 376 O ASP A 48 95.280 20.546 66.675 1.00 13.94 O ATOM 377 CB ASP A 48 93.163 22.350 64.789 1.00 16.68 C ATOM 378 CG ASP A 48 92.222 22.663 65.824 1.00 16.75 C ATOM 379 OD1 ASP A 48 92.614 23.055 66.934 1.00 18.71 O ATOM 380 OD2 ASP A 48 90.967 22.663 65.566 1.00 17.86 O ATOM 381 N GLY A 49 95.202 20.311 64.382 1.00 12.14 N ATOM 382 CA GLY A 49 95.594 18.899 64.382 1.00 10.74 C ATOM 383 C GLY A 49 94.182 18.193 64.419 1.00 9.03 C ATOM 384 O GLY A 49 94.104 17.017 64.826 1.00 10.24 O ATOM 385 N SER A 50 93.241 18.978 64.049 1.00 7.33 N ATOM 386 CA SER A 50 91.830 18.586 63.938 1.00 6.14 C ATOM 387 C SER A 50 91.751 18.272 62.385 1.00 4.89 C ATOM 388 O SER A 50 92.692 18.586 61.683 1.00 3.75 O ATOM 389 CB SER A 50 90.810 19.448 64.493 1.00 4.90 C ATOM 390 OG SER A 50 90.418 20.703 64.012 1.00 4.23 O ATOM 391 N THR A 51 90.654 17.723 61.978 1.00 4.39 N ATOM 392 CA THR A 51 90.340 17.331 60.573 1.00 1.54 C ATOM 393 C THR A 51 88.850 17.488 60.388 1.00 1.83 C ATOM 394 O THR A 51 87.987 17.096 61.239 1.00 0.91 O ATOM 395 CB THR A 51 90.810 15.919 60.240 1.00 0.86 C ATOM 396 OG1 THR A 51 92.065 15.684 60.758 1.00 0.50 O ATOM 397 CG2 THR A 51 90.889 15.762 58.687 1.00 0.96 C ATOM 398 N ASP A 52 88.536 18.037 59.242 1.00 1.93 N ATOM 399 CA ASP A 52 87.125 18.272 58.835 1.00 1.12 C ATOM 400 C ASP A 52 86.733 17.174 57.800 1.00 1.82 C ATOM 401 O ASP A 52 87.517 16.860 56.875 1.00 0.50 O ATOM 402 CB ASP A 52 86.889 19.683 58.317 1.00 1.47 C ATOM 403 CG ASP A 52 87.203 20.781 59.279 1.00 1.50 C ATOM 404 OD1 ASP A 52 87.046 20.703 60.462 1.00 1.94 O ATOM 405 OD2 ASP A 52 87.752 21.801 58.798 1.00 3.40 O ATOM 406 N TYR A 53 85.556 16.703 58.022 1.00 2.12 N ATOM 407 CA TYR A 53 85.007 15.606 57.171 1.00 3.56 C ATOM 408 C TYR A 53 83.753 15.841 56.358 1.00 3.19 C ATOM 409 O TYR A 53 82.812 16.468 56.727 1.00 3.61 O ATOM 410 CB TYR A 53 84.772 14.351 58.096 1.00 2.61 C ATOM 411 CG TYR A 53 86.027 13.880 58.724 1.00 3.04 C ATOM 412 CD1 TYR A 53 86.576 14.586 59.834 1.00 3.01 C ATOM 413 CD2 TYR A 53 86.654 12.704 58.354 1.00 2.72 C ATOM 414 CE1 TYR A 53 87.752 14.194 60.462 1.00 2.69 C ATOM 415 CE2 TYR A 53 87.830 12.234 59.020 1.00 3.60 C ATOM 416 CZ TYR A 53 88.379 13.018 60.056 1.00 3.53 C ATOM 417 OH TYR A 53 89.477 12.626 60.721 1.00 5.19 O ATOM 418 N GLY A 54 83.831 15.213 55.174 1.00 3.62 N ATOM 419 CA GLY A 54 82.812 15.135 54.213 1.00 5.23 C ATOM 420 C GLY A 54 82.341 16.468 53.584 1.00 6.36 C ATOM 421 O GLY A 54 82.890 17.488 53.473 1.00 5.01 O ATOM 422 N ILE A 55 81.086 16.311 53.214 1.00 7.33 N ATOM 423 CA ILE A 55 80.067 17.096 52.549 1.00 7.93 C ATOM 424 C ILE A 55 79.910 18.429 53.103 1.00 8.72 C ATOM 425 O ILE A 55 79.988 19.448 52.327 1.00 9.26 O ATOM 426 CB ILE A 55 78.812 16.233 52.475 1.00 8.06 C ATOM 427 CG1 ILE A 55 78.028 16.547 51.143 1.00 8.21 C ATOM 428 CG2 ILE A 55 77.871 16.468 53.621 1.00 9.10 C ATOM 429 CD1 ILE A 55 78.891 16.155 49.886 1.00 6.30 C ATOM 430 N LEU A 56 79.753 18.586 54.435 1.00 8.68 N ATOM 431 CA LEU A 56 79.596 19.840 55.100 1.00 7.88 C ATOM 432 C LEU A 56 80.851 20.154 55.988 1.00 7.23 C ATOM 433 O LEU A 56 80.851 21.095 56.764 1.00 6.43 O ATOM 434 CB LEU A 56 78.342 19.762 55.914 1.00 8.04 C ATOM 435 CG LEU A 56 77.087 19.448 55.174 1.00 8.09 C ATOM 436 CD1 LEU A 56 75.989 18.899 56.062 1.00 7.23 C ATOM 437 CD2 LEU A 56 76.616 20.624 54.324 1.00 9.01 C ATOM 438 N GLN A 57 81.870 19.370 55.766 1.00 7.19 N ATOM 439 CA GLN A 57 83.125 19.370 56.431 1.00 7.17 C ATOM 440 C GLN A 57 83.125 19.448 57.948 1.00 7.57 C ATOM 441 O GLN A 57 83.596 20.468 58.465 1.00 7.87 O ATOM 442 CB GLN A 57 83.988 20.546 55.914 1.00 5.59 C ATOM 443 CG GLN A 57 84.615 20.232 54.546 1.00 2.42 C ATOM 444 CD GLN A 57 85.948 19.527 54.693 1.00 3.44 C ATOM 445 OE1 GLN A 57 86.968 20.154 54.989 1.00 0.50 O ATOM 446 NE2 GLN A 57 85.791 18.193 54.472 1.00 0.50 N ATOM 447 N ILE A 58 82.576 18.429 58.613 1.00 7.87 N ATOM 448 CA ILE A 58 82.419 18.350 60.056 1.00 9.11 C ATOM 449 C ILE A 58 83.753 18.272 60.795 1.00 9.31 C ATOM 450 O ILE A 58 84.537 17.331 60.610 1.00 8.95 O ATOM 451 CB ILE A 58 81.635 17.096 60.425 1.00 10.17 C ATOM 452 CG1 ILE A 58 80.302 17.096 59.760 1.00 10.37 C ATOM 453 CG2 ILE A 58 81.557 16.939 61.942 1.00 11.49 C ATOM 454 CD1 ILE A 58 79.283 18.193 60.056 1.00 10.02 C ATOM 455 N ASN A 59 83.988 19.291 61.683 1.00 8.99 N ATOM 456 CA ASN A 59 85.243 19.370 62.459 1.00 9.54 C ATOM 457 C ASN A 59 85.321 18.115 63.421 1.00 9.26 C ATOM 458 O ASN A 59 84.302 17.723 63.938 1.00 9.89 O ATOM 459 CB ASN A 59 85.478 20.624 63.236 1.00 9.53 C ATOM 460 CG ASN A 59 86.889 20.938 63.643 1.00 10.44 C ATOM 461 OD1 ASN A 59 87.125 21.801 64.567 1.00 10.91 O ATOM 462 ND2 ASN A 59 87.909 20.389 63.014 1.00 8.93 N ATOM 463 N SER A 60 86.576 17.566 63.606 1.00 7.59 N ATOM 464 CA SER A 60 86.733 16.468 64.530 1.00 7.54 C ATOM 465 C SER A 60 86.968 16.939 65.972 1.00 8.01 C ATOM 466 O SER A 60 87.125 16.076 66.860 1.00 8.02 O ATOM 467 CB SER A 60 87.752 15.527 64.049 1.00 7.68 C ATOM 468 OG SER A 60 89.085 15.998 64.123 1.00 6.95 O ATOM 469 N ARG A 61 87.046 18.272 66.194 1.00 8.45 N ATOM 470 CA ARG A 61 87.203 18.899 67.489 1.00 9.65 C ATOM 471 C ARG A 61 86.027 18.664 68.450 1.00 10.11 C ATOM 472 O ARG A 61 86.340 18.429 69.670 1.00 10.00 O ATOM 473 CB ARG A 61 87.517 20.389 67.378 1.00 10.76 C ATOM 474 CG ARG A 61 87.281 21.252 68.598 1.00 12.89 C ATOM 475 CD ARG A 61 88.458 21.252 69.559 1.00 13.52 C ATOM 476 NE ARG A 61 87.987 21.252 70.928 1.00 15.18 N ATOM 477 CZ ARG A 61 87.909 20.154 71.667 1.00 15.66 C ATOM 478 NH1 ARG A 61 88.458 19.056 71.150 1.00 15.85 N ATOM 479 NH2 ARG A 61 87.438 20.154 72.925 1.00 15.91 N ATOM 480 N TRP A 62 84.772 18.586 68.043 1.00 10.18 N ATOM 481 CA TRP A 62 83.674 18.350 68.968 1.00 10.69 C ATOM 482 C TRP A 62 82.576 17.488 68.376 1.00 9.99 C ATOM 483 O TRP A 62 81.792 16.860 69.190 1.00 10.92 O ATOM 484 CB TRP A 62 82.968 19.605 69.374 1.00 12.24 C ATOM 485 CG TRP A 62 83.674 20.860 69.522 1.00 15.18 C ATOM 486 CD1 TRP A 62 83.909 21.801 68.524 1.00 15.23 C ATOM 487 CD2 TRP A 62 84.145 21.487 70.743 1.00 16.22 C ATOM 488 NE1 TRP A 62 84.537 22.899 69.079 1.00 16.52 N ATOM 489 CE2 TRP A 62 84.694 22.663 70.410 1.00 16.72 C ATOM 490 CE3 TRP A 62 84.145 21.017 72.074 1.00 16.94 C ATOM 491 CZ2 TRP A 62 85.243 23.526 71.371 1.00 16.76 C ATOM 492 CZ3 TRP A 62 84.694 21.879 73.036 1.00 16.83 C ATOM 493 CH2 TRP A 62 85.243 23.055 72.666 1.00 17.33 C ATOM 494 N TRP A 63 82.419 17.566 67.119 1.00 8.87 N ATOM 495 CA TRP A 63 81.322 16.860 66.379 1.00 7.42 C ATOM 496 C TRP A 63 81.478 15.370 66.083 1.00 5.98 C ATOM 497 O TRP A 63 80.459 14.743 66.194 1.00 4.38 O ATOM 498 CB TRP A 63 81.086 17.723 65.085 1.00 6.96 C ATOM 499 CG TRP A 63 80.773 19.134 65.492 1.00 7.30 C ATOM 500 CD1 TRP A 63 81.400 20.232 65.233 1.00 7.42 C ATOM 501 CD2 TRP A 63 79.675 19.448 66.379 1.00 6.97 C ATOM 502 NE1 TRP A 63 80.694 21.330 65.861 1.00 7.81 N ATOM 503 CE2 TRP A 63 79.675 20.860 66.564 1.00 6.65 C ATOM 504 CE3 TRP A 63 78.655 18.664 66.934 1.00 6.49 C ATOM 505 CZ2 TRP A 63 78.734 21.487 67.304 1.00 7.53 C ATOM 506 CZ3 TRP A 63 77.714 19.370 67.710 1.00 8.44 C ATOM 507 CH2 TRP A 63 77.714 20.781 67.895 1.00 7.08 C ATOM 508 N CYS A 64 82.655 14.900 65.750 1.00 5.56 N ATOM 509 CA CYS A 64 82.733 13.410 65.418 1.00 7.07 C ATOM 510 C CYS A 64 84.066 12.782 65.898 1.00 6.59 C ATOM 511 O CYS A 64 85.007 13.488 66.268 1.00 6.70 O ATOM 512 CB CYS A 64 82.498 13.175 63.901 1.00 8.11 C ATOM 513 SG CYS A 64 83.753 13.880 62.829 1.00 9.55 S ATOM 514 N ASN A 65 84.066 11.449 65.972 1.00 6.77 N ATOM 515 CA ASN A 65 85.243 10.744 66.416 1.00 7.13 C ATOM 516 C ASN A 65 86.096 9.971 65.406 1.00 7.05 C ATOM 517 O ASN A 65 85.635 9.018 64.789 1.00 7.62 O ATOM 518 CB ASN A 65 84.929 9.802 67.636 1.00 8.10 C ATOM 519 CG ASN A 65 86.105 9.018 68.043 1.00 8.54 C ATOM 520 OD1 ASN A 65 87.102 9.592 68.483 1.00 9.31 O ATOM 521 ND2 ASN A 65 86.092 7.702 67.936 1.00 10.00 N ATOM 522 N ASP A 66 87.373 10.443 65.374 1.00 7.33 N ATOM 523 CA ASP A 66 88.466 9.893 64.521 1.00 9.02 C ATOM 524 C ASP A 66 89.738 9.484 65.326 1.00 9.55 C ATOM 525 O ASP A 66 90.856 9.120 64.943 1.00 10.93 O ATOM 526 CB ASP A 66 88.878 10.896 63.436 1.00 8.23 C ATOM 527 CG ASP A 66 89.544 12.160 63.975 1.00 9.41 C ATOM 528 OD1 ASP A 66 89.556 12.393 65.241 1.00 11.13 O ATOM 529 OD2 ASP A 66 90.096 12.997 63.162 1.00 7.70 O ATOM 530 N GLY A 67 89.871 9.507 66.548 1.00 9.81 N ATOM 531 CA GLY A 67 91.046 8.783 66.934 1.00 9.55 C ATOM 532 C GLY A 67 92.300 9.489 67.193 1.00 9.76 C ATOM 533 O GLY A 67 93.085 8.940 67.932 1.00 9.31 O ATOM 534 N ARG A 68 92.457 10.744 66.675 1.00 10.42 N ATOM 535 CA ARG A 68 93.633 11.528 66.860 1.00 11.54 C ATOM 536 C ARG A 68 93.477 13.018 67.193 1.00 11.82 C ATOM 537 O ARG A 68 94.575 13.645 66.934 1.00 12.53 O ATOM 538 CB ARG A 68 94.496 11.449 65.566 1.00 11.79 C ATOM 539 CG ARG A 68 93.712 11.763 64.308 1.00 13.06 C ATOM 540 CD ARG A 68 94.575 12.234 63.162 1.00 13.85 C ATOM 541 NE ARG A 68 93.947 12.077 61.942 1.00 14.27 N ATOM 542 CZ ARG A 68 94.026 12.312 60.684 1.00 15.63 C ATOM 543 NH1 ARG A 68 94.888 13.175 60.166 1.00 14.49 N ATOM 544 NH2 ARG A 68 93.085 11.763 59.797 1.00 15.04 N ATOM 545 N THR A 69 92.379 13.488 67.673 1.00 12.71 N ATOM 546 CA THR A 69 92.222 14.900 68.043 1.00 13.13 C ATOM 547 C THR A 69 92.144 14.978 69.559 1.00 13.20 C ATOM 548 O THR A 69 91.124 15.057 70.188 1.00 12.91 O ATOM 549 CB THR A 69 91.124 15.606 67.267 1.00 13.20 C ATOM 550 OG1 THR A 69 90.732 16.782 68.006 1.00 14.61 O ATOM 551 CG2 THR A 69 89.869 14.743 67.008 1.00 14.94 C ATOM 552 N PRO A 70 93.398 14.900 70.114 1.00 13.74 N ATOM 553 CA PRO A 70 93.555 14.900 71.593 1.00 14.36 C ATOM 554 C PRO A 70 92.457 15.449 72.407 1.00 14.37 C ATOM 555 O PRO A 70 91.830 14.743 73.257 1.00 15.34 O ATOM 556 CB PRO A 70 94.967 15.527 71.741 1.00 14.47 C ATOM 557 CG PRO A 70 95.751 15.292 70.484 1.00 14.49 C ATOM 558 CD PRO A 70 94.731 14.821 69.448 1.00 14.41 C ATOM 559 N GLY A 71 92.065 16.703 72.222 1.00 14.20 N ATOM 560 CA GLY A 71 91.046 17.331 72.962 1.00 14.78 C ATOM 561 C GLY A 71 89.634 16.939 72.777 1.00 14.22 C ATOM 562 O GLY A 71 88.850 16.782 73.775 1.00 14.79 O ATOM 563 N SER A 72 89.164 16.703 71.593 1.00 13.84 N ATOM 564 CA SER A 72 87.830 16.468 71.113 1.00 12.99 C ATOM 565 C SER A 72 86.811 15.684 71.852 1.00 12.68 C ATOM 566 O SER A 72 86.889 14.665 72.629 1.00 12.94 O ATOM 567 CB SER A 72 87.909 15.841 69.670 1.00 13.26 C ATOM 568 OG SER A 72 88.144 14.508 69.744 1.00 12.52 O ATOM 569 N ARG A 73 85.635 16.076 71.519 1.00 11.74 N ATOM 570 CA ARG A 73 84.302 15.606 71.852 1.00 10.95 C ATOM 571 C ARG A 73 83.753 14.900 70.558 1.00 9.77 C ATOM 572 O ARG A 73 84.302 15.135 69.411 1.00 9.06 O ATOM 573 CB ARG A 73 83.282 16.625 72.296 1.00 11.54 C ATOM 574 CG ARG A 73 83.360 17.252 73.664 1.00 12.37 C ATOM 575 CD ARG A 73 82.419 16.547 74.626 1.00 14.12 C ATOM 576 NE ARG A 73 81.949 17.331 75.735 1.00 13.65 N ATOM 577 CZ ARG A 73 82.733 17.880 76.660 1.00 14.86 C ATOM 578 NH1 ARG A 73 84.066 17.958 76.475 1.00 15.87 N ATOM 579 NH2 ARG A 73 82.184 18.429 77.732 1.00 15.55 N ATOM 580 N ASN A 74 82.812 14.116 70.743 1.00 8.36 N ATOM 581 CA ASN A 74 82.106 13.331 69.670 1.00 6.84 C ATOM 582 C ASN A 74 80.616 13.645 69.929 1.00 5.95 C ATOM 583 O ASN A 74 79.910 12.704 70.225 1.00 5.96 O ATOM 584 CB ASN A 74 82.419 11.841 69.670 1.00 5.75 C ATOM 585 CG ASN A 74 81.714 11.057 68.635 1.00 6.89 C ATOM 586 OD1 ASN A 74 81.165 11.606 67.673 1.00 5.85 O ATOM 587 ND2 ASN A 74 81.557 9.724 68.820 1.00 5.42 N ATOM 588 N LEU A 75 80.224 14.900 69.781 1.00 5.78 N ATOM 589 CA LEU A 75 78.891 15.449 70.077 1.00 5.33 C ATOM 590 C LEU A 75 77.871 14.900 69.190 1.00 4.79 C ATOM 591 O LEU A 75 76.616 14.978 69.559 1.00 5.29 O ATOM 592 CB LEU A 75 78.891 16.939 70.114 1.00 5.54 C ATOM 593 CG LEU A 75 79.518 17.801 71.223 1.00 3.75 C ATOM 594 CD1 LEU A 75 79.204 19.213 71.002 1.00 3.21 C ATOM 595 CD2 LEU A 75 79.126 17.409 72.629 1.00 5.92 C ATOM 596 N CYS A 76 78.263 14.194 68.117 1.00 5.13 N ATOM 597 CA CYS A 76 77.322 13.645 67.156 1.00 4.60 C ATOM 598 C CYS A 76 77.322 12.077 67.267 1.00 5.16 C ATOM 599 O CYS A 76 76.616 11.449 66.527 1.00 4.14 O ATOM 600 CB CYS A 76 77.557 14.116 65.713 1.00 4.53 C ATOM 601 SG CYS A 76 77.165 15.841 65.455 1.00 3.73 S ATOM 602 N ASN A 77 78.106 11.606 68.228 1.00 6.63 N ATOM 603 CA ASN A 77 78.106 10.116 68.450 1.00 7.13 C ATOM 604 C ASN A 77 78.498 9.332 67.193 1.00 7.34 C ATOM 605 O ASN A 77 77.871 8.234 67.008 1.00 7.78 O ATOM 606 CB ASN A 77 76.695 9.724 68.894 1.00 9.49 C ATOM 607 CG ASN A 77 76.381 10.116 70.299 1.00 10.17 C ATOM 608 OD1 ASN A 77 76.852 9.410 71.223 1.00 11.62 O ATOM 609 ND2 ASN A 77 75.518 11.136 70.484 1.00 10.39 N ATOM 610 N ILE A 78 79.439 9.802 66.416 1.00 5.97 N ATOM 611 CA ILE A 78 79.753 9.018 65.196 1.00 5.68 C ATOM 612 C ILE A 78 81.165 9.097 64.752 1.00 4.77 C ATOM 613 O ILE A 78 81.949 10.038 64.863 1.00 5.35 O ATOM 614 CB ILE A 78 78.655 9.489 64.160 1.00 5.36 C ATOM 615 CG1 ILE A 78 78.342 8.391 63.236 1.00 6.61 C ATOM 616 CG2 ILE A 78 79.126 10.822 63.495 1.00 5.32 C ATOM 617 CD1 ILE A 78 77.479 8.861 61.978 1.00 7.45 C ATOM 618 N PRO A 79 81.557 7.999 64.197 1.00 4.23 N ATOM 619 CA PRO A 79 82.968 7.842 63.606 1.00 4.10 C ATOM 620 C PRO A 79 82.968 8.940 62.459 1.00 3.34 C ATOM 621 O PRO A 79 82.027 9.097 61.757 1.00 2.33 O ATOM 622 CB PRO A 79 83.047 6.430 63.125 1.00 3.82 C ATOM 623 CG PRO A 79 81.714 5.725 63.347 1.00 4.39 C ATOM 624 CD PRO A 79 80.773 6.744 63.975 1.00 4.02 C ATOM 625 N CYS A 80 84.066 9.646 62.459 1.00 2.97 N ATOM 626 CA CYS A 80 84.380 10.744 61.572 1.00 3.99 C ATOM 627 C CYS A 80 84.223 10.351 60.093 1.00 2.89 C ATOM 628 O CYS A 80 83.831 11.136 59.242 1.00 2.68 O ATOM 629 CB CYS A 80 85.791 11.214 61.905 1.00 3.46 C ATOM 630 SG CYS A 80 85.791 12.704 62.940 1.00 5.51 S ATOM 631 N SER A 81 84.537 9.097 59.871 1.00 3.55 N ATOM 632 CA SER A 81 84.537 8.469 58.539 1.00 2.71 C ATOM 633 C SER A 81 83.125 8.156 58.133 1.00 3.29 C ATOM 634 O SER A 81 82.890 7.920 56.912 1.00 2.29 O ATOM 635 CB SER A 81 85.556 7.293 58.576 1.00 2.27 C ATOM 636 OG SER A 81 85.007 6.195 59.316 1.00 3.79 O ATOM 637 N ALA A 82 82.184 8.234 59.057 1.00 3.86 N ATOM 638 CA ALA A 82 80.773 7.920 58.613 1.00 3.22 C ATOM 639 C ALA A 82 80.145 9.175 57.948 1.00 4.11 C ATOM 640 O ALA A 82 78.969 9.254 57.467 1.00 3.78 O ATOM 641 CB ALA A 82 79.988 7.528 59.871 1.00 4.64 C ATOM 642 N LEU A 83 81.008 10.195 57.911 1.00 4.72 N ATOM 643 CA LEU A 83 80.694 11.449 57.319 1.00 6.61 C ATOM 644 C LEU A 83 81.086 11.528 55.877 1.00 7.17 C ATOM 645 O LEU A 83 80.851 12.469 55.100 1.00 7.35 O ATOM 646 CB LEU A 83 81.243 12.469 58.244 1.00 6.35 C ATOM 647 CG LEU A 83 80.929 12.547 59.686 1.00 7.35 C ATOM 648 CD1 LEU A 83 81.478 13.880 60.203 1.00 6.11 C ATOM 649 CD2 LEU A 83 79.439 12.469 59.982 1.00 6.12 C ATOM 650 N LEU A 84 81.792 10.508 55.470 1.00 8.56 N ATOM 651 CA LEU A 84 82.419 10.351 54.139 1.00 8.22 C ATOM 652 C LEU A 84 81.635 9.489 53.177 1.00 8.38 C ATOM 653 O LEU A 84 82.106 9.410 51.994 1.00 7.93 O ATOM 654 CB LEU A 84 83.831 9.724 54.398 1.00 8.47 C ATOM 655 CG LEU A 84 84.772 10.587 55.174 1.00 7.91 C ATOM 656 CD1 LEU A 84 86.105 9.802 55.211 1.00 6.99 C ATOM 657 CD2 LEU A 84 84.929 11.920 54.472 1.00 6.84 C ATOM 658 N SER A 85 80.616 8.861 53.621 1.00 9.13 N ATOM 659 CA SER A 85 79.753 7.999 52.881 1.00 9.71 C ATOM 660 C SER A 85 79.126 8.626 51.624 1.00 10.37 C ATOM 661 O SER A 85 79.283 9.802 51.402 1.00 10.93 O ATOM 662 CB SER A 85 78.498 7.607 53.806 1.00 8.86 C ATOM 663 OG SER A 85 77.714 6.666 53.103 1.00 10.24 O ATOM 664 N SER A 86 78.498 7.842 50.848 1.00 10.47 N ATOM 665 CA SER A 86 77.793 8.313 49.590 1.00 10.69 C ATOM 666 C SER A 86 76.460 8.861 49.997 1.00 9.71 C ATOM 667 O SER A 86 75.911 9.724 49.368 1.00 10.07 O ATOM 668 CB SER A 86 77.714 7.215 48.592 1.00 10.94 C ATOM 669 OG SER A 86 78.969 6.823 48.037 1.00 13.16 O ATOM 670 N ASP A 87 75.989 8.234 51.106 1.00 9.25 N ATOM 671 CA ASP A 87 74.656 8.626 51.661 1.00 9.28 C ATOM 672 C ASP A 87 74.891 9.724 52.697 1.00 9.45 C ATOM 673 O ASP A 87 75.754 9.410 53.584 1.00 9.63 O ATOM 674 CB ASP A 87 74.028 7.371 52.105 1.00 9.79 C ATOM 675 CG ASP A 87 72.617 7.371 52.549 1.00 10.55 C ATOM 676 OD1 ASP A 87 72.225 8.391 53.214 1.00 8.75 O ATOM 677 OD2 ASP A 87 71.911 6.352 52.290 1.00 10.83 O ATOM 678 N ILE A 88 74.264 10.900 52.586 1.00 8.86 N ATOM 679 CA ILE A 88 74.499 11.998 53.510 1.00 8.06 C ATOM 680 C ILE A 88 73.793 11.998 54.841 1.00 7.17 C ATOM 681 O ILE A 88 73.950 13.018 55.581 1.00 6.60 O ATOM 682 CB ILE A 88 74.264 13.331 52.844 1.00 7.62 C ATOM 683 CG1 ILE A 88 72.852 13.567 52.364 1.00 8.21 C ATOM 684 CG2 ILE A 88 75.283 13.567 51.698 1.00 8.14 C ATOM 685 CD1 ILE A 88 72.617 14.665 51.328 1.00 6.27 C ATOM 686 N THR A 89 73.087 10.979 55.248 1.00 7.29 N ATOM 687 CA THR A 89 72.382 10.900 56.542 1.00 6.69 C ATOM 688 C THR A 89 73.244 11.292 57.726 1.00 6.95 C ATOM 689 O THR A 89 72.774 12.234 58.465 1.00 7.16 O ATOM 690 CB THR A 89 71.754 9.489 56.764 1.00 5.65 C ATOM 691 OG1 THR A 89 71.284 9.175 55.470 1.00 5.21 O ATOM 692 CG2 THR A 89 70.656 9.646 57.800 1.00 4.89 C ATOM 693 N ALA A 90 74.421 10.744 57.911 1.00 6.73 N ATOM 694 CA ALA A 90 75.283 11.136 59.057 1.00 7.31 C ATOM 695 C ALA A 90 75.597 12.626 59.094 1.00 7.98 C ATOM 696 O ALA A 90 75.283 13.331 60.093 1.00 8.09 O ATOM 697 CB ALA A 90 76.538 10.273 59.168 1.00 6.76 C ATOM 698 N SER A 91 76.224 13.096 58.059 1.00 8.16 N ATOM 699 CA SER A 91 76.616 14.508 57.985 1.00 8.65 C ATOM 700 C SER A 91 75.440 15.449 58.096 1.00 7.55 C ATOM 701 O SER A 91 75.518 16.547 58.687 1.00 7.92 O ATOM 702 CB SER A 91 77.401 14.665 56.690 1.00 8.75 C ATOM 703 OG SER A 91 76.460 14.665 55.618 1.00 12.75 O ATOM 704 N VAL A 92 74.264 15.135 57.615 1.00 7.18 N ATOM 705 CA VAL A 92 73.009 15.919 57.689 1.00 6.48 C ATOM 706 C VAL A 92 72.617 15.919 59.205 1.00 6.69 C ATOM 707 O VAL A 92 72.382 17.017 59.760 1.00 6.30 O ATOM 708 CB VAL A 92 71.833 15.449 56.838 1.00 5.27 C ATOM 709 CG1 VAL A 92 70.578 15.998 57.319 1.00 4.00 C ATOM 710 CG2 VAL A 92 71.990 15.762 55.322 1.00 4.89 C ATOM 711 N ASN A 93 72.539 14.743 59.760 1.00 6.26 N ATOM 712 CA ASN A 93 72.146 14.586 61.128 1.00 7.50 C ATOM 713 C ASN A 93 73.166 15.292 62.052 1.00 7.64 C ATOM 714 O ASN A 93 72.695 15.841 63.088 1.00 8.45 O ATOM 715 CB ASN A 93 72.146 13.096 61.535 1.00 8.77 C ATOM 716 CG ASN A 93 71.049 12.234 60.980 1.00 9.26 C ATOM 717 OD1 ASN A 93 71.205 10.979 60.906 1.00 11.26 O ATOM 718 ND2 ASN A 93 69.872 12.782 60.610 1.00 10.22 N ATOM 719 N CYS A 94 74.421 15.292 61.683 1.00 7.62 N ATOM 720 CA CYS A 94 75.440 15.998 62.385 1.00 7.66 C ATOM 721 C CYS A 94 75.126 17.488 62.200 1.00 8.05 C ATOM 722 O CYS A 94 75.048 18.272 63.162 1.00 6.40 O ATOM 723 CB CYS A 94 76.852 15.684 61.831 1.00 8.86 C ATOM 724 SG CYS A 94 78.185 15.841 63.088 1.00 9.60 S ATOM 725 N ALA A 95 75.048 17.801 60.906 1.00 9.30 N ATOM 726 CA ALA A 95 74.734 19.213 60.536 1.00 10.16 C ATOM 727 C ALA A 95 73.715 19.840 61.461 1.00 10.46 C ATOM 728 O ALA A 95 73.950 20.938 61.978 1.00 10.86 O ATOM 729 CB ALA A 95 74.342 19.370 59.094 1.00 10.48 C ATOM 730 N LYS A 96 72.617 19.056 61.646 1.00 10.81 N ATOM 731 CA LYS A 96 71.441 19.448 62.459 1.00 10.90 C ATOM 732 C LYS A 96 71.833 19.840 63.864 1.00 11.26 C ATOM 733 O LYS A 96 71.362 20.860 64.345 1.00 12.02 O ATOM 734 CB LYS A 96 70.421 18.272 62.422 1.00 11.48 C ATOM 735 CG LYS A 96 69.715 18.272 61.054 1.00 12.26 C ATOM 736 CD LYS A 96 68.461 17.409 60.980 1.00 12.34 C ATOM 737 CE LYS A 96 67.676 17.880 59.723 1.00 13.19 C ATOM 738 NZ LYS A 96 66.265 17.488 59.834 1.00 14.41 N ATOM 739 N LYS A 97 72.617 19.056 64.530 1.00 11.40 N ATOM 740 CA LYS A 97 73.166 19.370 65.861 1.00 11.69 C ATOM 741 C LYS A 97 73.950 20.624 65.935 1.00 11.53 C ATOM 742 O LYS A 97 73.793 21.487 66.823 1.00 10.91 O ATOM 743 CB LYS A 97 74.185 18.272 66.305 1.00 13.02 C ATOM 744 CG LYS A 97 73.715 17.252 67.341 1.00 13.85 C ATOM 745 CD LYS A 97 72.539 16.390 66.749 1.00 14.68 C ATOM 746 CE LYS A 97 72.460 15.057 67.562 1.00 14.81 C ATOM 747 NZ LYS A 97 73.636 14.272 67.230 1.00 13.09 N ATOM 748 N ILE A 98 74.891 20.860 64.974 1.00 10.66 N ATOM 749 CA ILE A 98 75.754 22.036 64.900 1.00 9.40 C ATOM 750 C ILE A 98 75.048 23.369 64.752 1.00 8.94 C ATOM 751 O ILE A 98 75.205 24.310 65.492 1.00 8.34 O ATOM 752 CB ILE A 98 76.773 21.879 63.717 1.00 8.52 C ATOM 753 CG1 ILE A 98 77.636 20.781 63.901 1.00 7.03 C ATOM 754 CG2 ILE A 98 77.401 23.212 63.495 1.00 7.26 C ATOM 755 CD1 ILE A 98 78.420 20.232 62.681 1.00 7.42 C ATOM 756 N VAL A 99 74.185 23.448 63.717 1.00 9.33 N ATOM 757 CA VAL A 99 73.401 24.624 63.384 1.00 9.04 C ATOM 758 C VAL A 99 72.460 24.938 64.567 1.00 8.86 C ATOM 759 O VAL A 99 72.068 26.035 64.789 1.00 7.76 O ATOM 760 CB VAL A 99 72.774 24.389 62.015 1.00 8.96 C ATOM 761 CG1 VAL A 99 71.284 23.918 62.126 1.00 8.72 C ATOM 762 CG2 VAL A 99 72.852 25.643 61.091 1.00 9.45 C ATOM 763 N SER A 100 72.146 23.918 65.307 1.00 9.69 N ATOM 764 CA SER A 100 71.205 23.997 66.490 1.00 10.29 C ATOM 765 C SER A 100 71.990 24.624 67.673 1.00 11.13 C ATOM 766 O SER A 100 71.441 25.330 68.524 1.00 9.92 O ATOM 767 CB SER A 100 70.578 22.663 66.860 1.00 10.69 C ATOM 768 OG SER A 100 69.637 22.271 65.861 1.00 10.44 O ATOM 769 N ASP A 101 73.244 24.389 67.636 1.00 11.59 N ATOM 770 CA ASP A 101 74.264 24.938 68.598 1.00 11.82 C ATOM 771 C ASP A 101 74.342 26.428 68.450 1.00 11.68 C ATOM 772 O ASP A 101 75.283 26.898 67.673 1.00 12.89 O ATOM 773 CB ASP A 101 75.518 24.075 68.302 1.00 12.83 C ATOM 774 CG ASP A 101 76.381 23.604 69.411 1.00 14.05 C ATOM 775 OD1 ASP A 101 77.322 24.310 69.707 1.00 14.39 O ATOM 776 OD2 ASP A 101 76.224 22.507 69.929 1.00 15.24 O ATOM 777 N GLY A 102 73.558 27.212 69.005 1.00 11.09 N ATOM 778 CA GLY A 102 73.480 28.623 69.042 1.00 10.48 C ATOM 779 C GLY A 102 73.793 29.486 67.858 1.00 10.90 C ATOM 780 O GLY A 102 72.852 30.113 67.230 1.00 10.88 O ATOM 781 N ASN A 103 75.048 29.564 67.452 1.00 10.12 N ATOM 782 CA ASN A 103 75.597 30.349 66.342 1.00 10.21 C ATOM 783 C ASN A 103 75.126 30.035 64.937 1.00 10.10 C ATOM 784 O ASN A 103 75.832 30.662 64.049 1.00 10.36 O ATOM 785 CB ASN A 103 77.165 30.270 66.453 1.00 9.95 C ATOM 786 CG ASN A 103 77.557 30.897 67.784 1.00 11.21 C ATOM 787 OD1 ASN A 103 77.087 32.074 68.006 1.00 10.95 O ATOM 788 ND2 ASN A 103 78.342 30.192 68.598 1.00 9.48 N ATOM 789 N GLY A 104 74.107 29.329 64.604 1.00 9.13 N ATOM 790 CA GLY A 104 73.636 29.172 63.236 1.00 9.19 C ATOM 791 C GLY A 104 74.656 28.702 62.237 1.00 8.85 C ATOM 792 O GLY A 104 75.675 28.074 62.644 1.00 8.61 O ATOM 793 N MET A 105 74.421 29.015 60.980 1.00 8.36 N ATOM 794 CA MET A 105 75.362 28.545 59.908 1.00 8.01 C ATOM 795 C MET A 105 76.773 29.094 60.019 1.00 8.94 C ATOM 796 O MET A 105 77.636 28.702 59.205 1.00 8.91 O ATOM 797 CB MET A 105 74.734 28.702 58.502 1.00 9.13 C ATOM 798 CG MET A 105 73.636 27.604 58.354 1.00 7.11 C ATOM 799 SD MET A 105 73.244 27.133 56.690 1.00 7.19 S ATOM 800 CE MET A 105 74.656 26.114 56.284 1.00 6.21 C ATOM 801 N ASN A 106 76.930 29.956 60.980 1.00 7.61 N ATOM 802 CA ASN A 106 78.185 30.662 61.239 1.00 7.05 C ATOM 803 C ASN A 106 79.283 29.643 61.683 1.00 5.96 C ATOM 804 O ASN A 106 80.459 29.800 61.350 1.00 6.05 O ATOM 805 CB ASN A 106 78.106 31.839 62.200 1.00 7.14 C ATOM 806 CG ASN A 106 77.244 32.936 61.572 1.00 7.68 C ATOM 807 OD1 ASN A 106 76.067 33.093 62.052 1.00 7.28 O ATOM 808 ND2 ASN A 106 77.793 33.642 60.610 1.00 7.19 N ATOM 809 N ALA A 107 78.734 28.623 62.311 1.00 6.28 N ATOM 810 CA ALA A 107 79.675 27.447 62.681 1.00 6.23 C ATOM 811 C ALA A 107 80.381 27.055 61.387 1.00 6.24 C ATOM 812 O ALA A 107 81.478 26.428 61.498 1.00 7.68 O ATOM 813 CB ALA A 107 78.891 26.349 63.384 1.00 3.43 C ATOM 814 N TRP A 108 79.832 27.290 60.240 1.00 6.60 N ATOM 815 CA TRP A 108 80.537 26.898 58.946 1.00 6.26 C ATOM 816 C TRP A 108 81.243 28.153 58.391 1.00 6.48 C ATOM 817 O TRP A 108 80.537 29.015 57.800 1.00 6.23 O ATOM 818 CB TRP A 108 79.675 26.271 57.911 1.00 6.63 C ATOM 819 CG TRP A 108 79.283 24.859 58.133 1.00 7.00 C ATOM 820 CD1 TRP A 108 79.988 23.761 57.763 1.00 8.36 C ATOM 821 CD2 TRP A 108 78.106 24.389 58.761 1.00 7.74 C ATOM 822 NE1 TRP A 108 79.283 22.585 58.133 1.00 8.88 N ATOM 823 CE2 TRP A 108 78.106 22.977 58.761 1.00 8.28 C ATOM 824 CE3 TRP A 108 77.008 25.016 59.353 1.00 7.23 C ATOM 825 CZ2 TRP A 108 77.087 22.193 59.279 1.00 7.62 C ATOM 826 CZ3 TRP A 108 75.989 24.232 59.908 1.00 7.28 C ATOM 827 CH2 TRP A 108 76.067 22.899 59.871 1.00 7.25 C ATOM 828 N VAL A 109 82.576 28.153 58.539 1.00 6.67 N ATOM 829 CA VAL A 109 83.282 29.329 58.133 1.00 8.03 C ATOM 830 C VAL A 109 83.125 29.721 56.690 1.00 7.34 C ATOM 831 O VAL A 109 82.812 30.897 56.505 1.00 7.69 O ATOM 832 CB VAL A 109 84.772 29.408 58.539 1.00 8.62 C ATOM 833 CG1 VAL A 109 85.243 30.819 58.096 1.00 10.05 C ATOM 834 CG2 VAL A 109 85.007 29.251 60.019 1.00 9.25 C ATOM 835 N ALA A 110 83.360 28.780 55.766 1.00 7.81 N ATOM 836 CA ALA A 110 83.125 29.251 54.324 1.00 8.10 C ATOM 837 C ALA A 110 81.714 29.721 54.176 1.00 8.09 C ATOM 838 O ALA A 110 81.478 30.662 53.362 1.00 9.20 O ATOM 839 CB ALA A 110 83.674 28.153 53.399 1.00 7.62 C ATOM 840 N TRP A 111 80.694 29.172 54.915 1.00 7.69 N ATOM 841 CA TRP A 111 79.283 29.721 54.767 1.00 7.39 C ATOM 842 C TRP A 111 79.204 31.211 55.174 1.00 7.56 C ATOM 843 O TRP A 111 78.655 32.074 54.472 1.00 7.58 O ATOM 844 CB TRP A 111 78.263 28.859 55.470 1.00 6.49 C ATOM 845 CG TRP A 111 76.852 29.486 55.396 1.00 5.12 C ATOM 846 CD1 TRP A 111 75.911 29.329 54.472 1.00 4.86 C ATOM 847 CD2 TRP A 111 76.381 30.584 56.284 1.00 4.98 C ATOM 848 NE1 TRP A 111 74.813 30.192 54.730 1.00 4.49 N ATOM 849 CE2 TRP A 111 75.126 30.976 55.840 1.00 3.94 C ATOM 850 CE3 TRP A 111 77.008 31.211 57.393 1.00 4.66 C ATOM 851 CZ2 TRP A 111 74.342 31.917 56.505 1.00 3.73 C ATOM 852 CZ3 TRP A 111 76.224 32.152 58.059 1.00 4.17 C ATOM 853 CH2 TRP A 111 74.891 32.466 57.615 1.00 2.24 C ATOM 854 N ARG A 112 79.753 31.525 56.358 1.00 7.65 N ATOM 855 CA ARG A 112 79.675 32.936 56.801 1.00 7.29 C ATOM 856 C ARG A 112 80.224 33.799 55.692 1.00 7.26 C ATOM 857 O ARG A 112 79.596 34.662 55.063 1.00 7.40 O ATOM 858 CB ARG A 112 80.381 33.172 58.133 1.00 8.03 C ATOM 859 CG ARG A 112 80.616 34.583 58.539 1.00 10.15 C ATOM 860 CD ARG A 112 81.322 34.662 59.834 1.00 11.16 C ATOM 861 NE ARG A 112 82.576 34.034 59.908 1.00 10.57 N ATOM 862 CZ ARG A 112 83.753 34.740 59.871 1.00 12.28 C ATOM 863 NH1 ARG A 112 83.674 36.073 59.723 1.00 13.07 N ATOM 864 NH2 ARG A 112 84.929 34.191 59.945 1.00 10.95 N ATOM 865 N ASN A 113 81.478 33.564 55.433 1.00 6.43 N ATOM 866 CA ASN A 113 82.419 34.034 54.509 1.00 5.69 C ATOM 867 C ASN A 113 82.027 34.113 53.029 1.00 5.42 C ATOM 868 O ASN A 113 82.106 35.211 52.401 1.00 5.61 O ATOM 869 CB ASN A 113 83.753 33.250 54.730 1.00 5.39 C ATOM 870 CG ASN A 113 84.537 33.877 55.803 1.00 6.42 C ATOM 871 OD1 ASN A 113 84.223 35.054 56.284 1.00 8.22 O ATOM 872 ND2 ASN A 113 85.713 33.328 56.136 1.00 7.01 N ATOM 873 N ARG A 114 81.635 32.936 52.475 1.00 4.13 N ATOM 874 CA ARG A 114 81.243 32.858 51.069 1.00 3.35 C ATOM 875 C ARG A 114 79.832 32.780 50.663 1.00 2.79 C ATOM 876 O ARG A 114 79.518 32.936 49.405 1.00 2.36 O ATOM 877 CB ARG A 114 82.027 31.603 50.552 1.00 2.29 C ATOM 878 CG ARG A 114 83.517 31.760 50.848 1.00 4.11 C ATOM 879 CD ARG A 114 84.302 30.662 50.219 1.00 4.42 C ATOM 880 NE ARG A 114 84.302 30.897 48.740 1.00 5.20 N ATOM 881 CZ ARG A 114 85.164 30.113 48.000 1.00 5.13 C ATOM 882 NH1 ARG A 114 85.870 29.251 48.703 1.00 4.43 N ATOM 883 NH2 ARG A 114 85.164 30.270 46.669 1.00 4.60 N ATOM 884 N CYS A 115 78.891 32.466 51.550 1.00 3.10 N ATOM 885 CA CYS A 115 77.479 32.309 51.143 1.00 3.59 C ATOM 886 C CYS A 115 76.460 33.172 51.846 1.00 3.46 C ATOM 887 O CYS A 115 75.283 33.250 51.365 1.00 2.77 O ATOM 888 CB CYS A 115 77.008 30.897 51.402 1.00 4.50 C ATOM 889 SG CYS A 115 78.185 29.564 50.995 1.00 8.93 S ATOM 890 N LYS A 116 76.852 33.642 53.029 1.00 2.67 N ATOM 891 CA LYS A 116 75.989 34.426 53.917 1.00 3.19 C ATOM 892 C LYS A 116 75.675 35.760 53.325 1.00 3.13 C ATOM 893 O LYS A 116 76.616 36.465 52.918 1.00 3.52 O ATOM 894 CB LYS A 116 76.695 34.505 55.285 1.00 2.00 C ATOM 895 CG LYS A 116 75.989 35.367 56.321 1.00 1.67 C ATOM 896 CD LYS A 116 76.773 35.603 57.615 1.00 0.50 C ATOM 897 CE LYS A 116 75.754 35.838 58.761 1.00 0.50 C ATOM 898 NZ LYS A 116 76.460 36.152 60.019 1.00 0.50 N ATOM 899 N GLY A 117 74.342 36.073 53.177 1.00 3.56 N ATOM 900 CA GLY A 117 73.872 37.328 52.660 1.00 5.08 C ATOM 901 C GLY A 117 73.950 37.406 51.143 1.00 5.90 C ATOM 902 O GLY A 117 73.793 38.504 50.589 1.00 6.78 O ATOM 903 N THR A 118 74.264 36.308 50.478 1.00 6.16 N ATOM 904 CA THR A 118 74.342 36.230 49.035 1.00 6.20 C ATOM 905 C THR A 118 73.087 35.603 48.481 1.00 6.52 C ATOM 906 O THR A 118 72.303 35.054 49.294 1.00 6.49 O ATOM 907 CB THR A 118 75.597 35.524 48.629 1.00 5.40 C ATOM 908 OG1 THR A 118 75.205 34.113 48.814 1.00 6.03 O ATOM 909 CG2 THR A 118 76.852 35.760 49.405 1.00 3.26 C ATOM 910 N ASP A 119 72.852 35.760 47.186 1.00 6.82 N ATOM 911 CA ASP A 119 71.676 35.132 46.558 1.00 6.61 C ATOM 912 C ASP A 119 71.911 33.642 46.595 1.00 5.38 C ATOM 913 O ASP A 119 72.382 33.093 45.633 1.00 5.06 O ATOM 914 CB ASP A 119 71.362 35.760 45.227 1.00 8.76 C ATOM 915 CG ASP A 119 70.264 35.054 44.376 1.00 9.97 C ATOM 916 OD1 ASP A 119 69.637 34.113 44.820 1.00 10.56 O ATOM 917 OD2 ASP A 119 70.107 35.446 43.193 1.00 10.73 O ATOM 918 N VAL A 120 71.519 33.015 47.704 1.00 4.91 N ATOM 919 CA VAL A 120 71.676 31.603 47.926 1.00 4.41 C ATOM 920 C VAL A 120 70.656 30.819 47.113 1.00 3.97 C ATOM 921 O VAL A 120 71.049 29.643 46.928 1.00 5.01 O ATOM 922 CB VAL A 120 71.676 31.133 49.405 1.00 4.15 C ATOM 923 CG1 VAL A 120 72.931 31.525 50.219 1.00 2.08 C ATOM 924 CG2 VAL A 120 70.421 31.603 50.108 1.00 4.52 C ATOM 925 N GLN A 121 69.559 31.290 46.780 1.00 4.54 N ATOM 926 CA GLN A 121 68.539 30.505 46.040 1.00 5.23 C ATOM 927 C GLN A 121 69.166 30.113 44.709 1.00 5.72 C ATOM 928 O GLN A 121 68.774 29.094 44.080 1.00 6.28 O ATOM 929 CB GLN A 121 67.128 31.054 46.077 1.00 5.80 C ATOM 930 CG GLN A 121 66.343 30.505 47.223 1.00 5.93 C ATOM 931 CD GLN A 121 67.128 30.113 48.481 1.00 5.37 C ATOM 932 OE1 GLN A 121 67.363 30.897 49.331 1.00 7.66 O ATOM 933 NE2 GLN A 121 67.441 28.780 48.740 1.00 2.26 N ATOM 934 N ALA A 122 70.107 30.976 44.228 1.00 5.47 N ATOM 935 CA ALA A 122 70.735 30.741 42.934 1.00 4.84 C ATOM 936 C ALA A 122 71.205 29.251 42.897 1.00 5.36 C ATOM 937 O ALA A 122 71.284 28.702 41.787 1.00 4.88 O ATOM 938 CB ALA A 122 71.754 31.760 42.638 1.00 5.43 C ATOM 939 N TRP A 123 71.597 28.702 44.006 1.00 5.24 N ATOM 940 CA TRP A 123 72.068 27.369 44.228 1.00 4.99 C ATOM 941 C TRP A 123 71.127 26.192 43.969 1.00 5.64 C ATOM 942 O TRP A 123 71.597 25.016 43.673 1.00 4.66 O ATOM 943 CB TRP A 123 72.695 27.133 45.633 1.00 4.51 C ATOM 944 CG TRP A 123 73.950 27.996 45.744 1.00 4.98 C ATOM 945 CD1 TRP A 123 74.107 29.172 46.410 1.00 4.64 C ATOM 946 CD2 TRP A 123 75.205 27.682 45.079 1.00 4.65 C ATOM 947 NE1 TRP A 123 75.440 29.643 46.262 1.00 5.40 N ATOM 948 CE2 TRP A 123 76.067 28.702 45.448 1.00 5.38 C ATOM 949 CE3 TRP A 123 75.675 26.663 44.265 1.00 5.18 C ATOM 950 CZ2 TRP A 123 77.401 28.780 44.968 1.00 4.80 C ATOM 951 CZ3 TRP A 123 76.930 26.741 43.784 1.00 4.48 C ATOM 952 CH2 TRP A 123 77.793 27.761 44.117 1.00 4.85 C ATOM 953 N ILE A 124 69.872 26.428 44.191 1.00 5.43 N ATOM 954 CA ILE A 124 68.774 25.486 43.969 1.00 5.95 C ATOM 955 C ILE A 124 67.990 25.879 42.712 1.00 5.95 C ATOM 956 O ILE A 124 66.814 25.486 42.490 1.00 4.75 O ATOM 957 CB ILE A 124 67.833 25.408 45.153 1.00 5.12 C ATOM 958 CG1 ILE A 124 67.206 26.820 45.337 1.00 5.69 C ATOM 959 CG2 ILE A 124 68.618 25.016 46.373 1.00 5.10 C ATOM 960 CD1 ILE A 124 65.638 26.741 45.337 1.00 5.11 C ATOM 961 N ARG A 125 68.696 26.584 41.824 1.00 6.39 N ATOM 962 CA ARG A 125 67.990 27.055 40.604 1.00 7.62 C ATOM 963 C ARG A 125 67.912 26.035 39.532 1.00 8.05 C ATOM 964 O ARG A 125 68.853 25.408 39.051 1.00 7.10 O ATOM 965 CB ARG A 125 68.461 28.388 40.123 1.00 9.39 C ATOM 966 CG ARG A 125 67.912 28.780 38.755 1.00 10.90 C ATOM 967 CD ARG A 125 68.225 30.270 38.496 1.00 12.69 C ATOM 968 NE ARG A 125 68.225 30.897 39.827 1.00 14.68 N ATOM 969 CZ ARG A 125 68.618 32.231 39.827 1.00 15.75 C ATOM 970 NH1 ARG A 125 68.539 32.780 38.607 1.00 16.26 N ATOM 971 NH2 ARG A 125 68.853 32.858 40.937 1.00 14.51 N ATOM 972 N GLY A 126 66.579 25.879 39.125 1.00 8.13 N ATOM 973 CA GLY A 126 66.186 25.016 38.052 1.00 8.91 C ATOM 974 C GLY A 126 65.873 23.604 38.644 1.00 8.71 C ATOM 975 O GLY A 126 65.167 22.820 38.015 1.00 8.44 O ATOM 976 N CYS A 127 66.422 23.448 39.790 1.00 8.98 N ATOM 977 CA CYS A 127 66.265 22.193 40.567 1.00 9.72 C ATOM 978 C CYS A 127 64.775 21.879 40.641 1.00 10.18 C ATOM 979 O CYS A 127 63.991 22.742 41.011 1.00 10.06 O ATOM 980 CB CYS A 127 66.971 22.350 41.898 1.00 8.33 C ATOM 981 SG CYS A 127 68.774 22.507 41.529 1.00 9.75 S ATOM 982 N ARG A 128 64.461 20.624 40.271 1.00 10.98 N ATOM 983 CA ARG A 128 63.128 20.076 40.197 1.00 11.86 C ATOM 984 C ARG A 128 62.501 20.076 41.603 1.00 12.52 C ATOM 985 O ARG A 128 62.658 19.134 42.342 1.00 13.50 O ATOM 986 CB ARG A 128 63.050 18.664 39.643 1.00 11.97 C ATOM 987 CG ARG A 128 61.638 18.193 39.162 1.00 11.95 C ATOM 988 CD ARG A 128 61.717 16.703 38.681 1.00 12.06 C ATOM 989 NE ARG A 128 62.971 16.468 38.015 1.00 13.94 N ATOM 990 CZ ARG A 128 63.677 16.311 36.943 1.00 14.09 C ATOM 991 NH1 ARG A 128 63.128 16.233 35.686 1.00 13.38 N ATOM 992 NH2 ARG A 128 65.010 16.233 36.980 1.00 13.18 N ATOM 993 N LEU A 129 61.795 21.173 41.898 1.00 11.92 N ATOM 994 CA LEU A 129 61.168 21.566 43.119 1.00 11.57 C ATOM 995 C LEU A 129 59.599 21.409 42.934 1.00 11.65 C ATOM 996 O LEU A 129 59.129 20.232 43.045 1.00 11.76 O ATOM 997 CB LEU A 129 61.560 22.977 43.378 1.00 10.94 C ATOM 998 CG LEU A 129 61.638 23.604 44.746 1.00 11.08 C ATOM 999 CD1 LEU A 129 62.893 24.545 44.746 1.00 9.44 C ATOM 1000 CD2 LEU A 129 60.462 24.389 45.227 1.00 10.60 C ATOM 1001 OXT LEU A 129 58.972 22.428 42.860 1.00 12.28 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 90.026 11.606 69.338 1.00 0.50 O HETATM 1004 O HOH A 131 89.018 5.792 67.828 1.00 0.64 O HETATM 1005 O HOH A 132 67.755 31.054 61.054 1.00 1.08 O HETATM 1006 O HOH A 133 58.042 18.753 40.277 1.00 2.62 O HETATM 1007 O HOH A 134 86.279 31.127 54.027 1.00 4.18 O HETATM 1008 O HOH A 135 66.579 17.958 64.863 1.00 4.91 O HETATM 1009 O HOH A 136 84.554 24.618 46.150 1.00 5.13 O HETATM 1010 O HOH A 137 92.065 15.135 63.532 1.00 5.15 O HETATM 1011 O HOH A 138 79.143 36.224 52.548 1.00 5.25 O HETATM 1012 O HOH A 139 67.833 12.704 57.615 1.00 5.33 O HETATM 1013 O HOH A 140 82.106 7.058 67.525 1.00 5.55 O HETATM 1014 O HOH A 141 80.302 10.508 42.120 1.00 5.65 O HETATM 1015 O HOH A 142 85.887 25.088 48.258 1.00 6.07 O HETATM 1016 O HOH A 143 82.106 19.291 72.148 1.00 6.21 O HETATM 1017 O HOH A 144 81.243 13.488 72.927 1.00 6.69 O HETATM 1018 O HOH A 145 87.298 22.422 55.802 1.00 6.84 O HETATM 1019 O HOH A 146 63.991 26.898 48.740 1.00 7.19 O HETATM 1020 O HOH A 147 77.636 23.761 40.863 1.00 7.48 O HETATM 1021 O HOH A 148 74.970 8.234 56.025 1.00 7.48 O HETATM 1022 O HOH A 149 75.754 12.234 62.533 1.00 7.62 O HETATM 1023 O HOH A 150 80.851 3.843 58.872 1.00 7.81 O HETATM 1024 O HOH A 151 65.638 20.076 46.225 1.00 8.10 O HETATM 1025 O HOH A 152 76.695 27.839 73.036 1.00 8.22 O HETATM 1026 O HOH A 153 75.771 39.596 46.927 1.00 8.37 O HETATM 1027 O HOH A 154 71.911 17.958 39.569 1.00 8.38 O HETATM 1028 O HOH A 155 96.541 18.592 67.828 1.00 8.49 O HETATM 1029 O HOH A 156 84.083 25.951 59.503 1.00 8.55 O HETATM 1030 O HOH A 157 59.515 14.592 38.908 1.00 8.77 O HETATM 1031 O HOH A 158 79.518 12.312 72.370 1.00 8.78 O HETATM 1032 O HOH A 159 71.844 10.833 50.040 1.00 8.81 O HETATM 1033 O HOH A 160 77.636 12.626 53.103 1.00 8.81 O HETATM 1034 O HOH A 161 76.067 26.820 65.270 1.00 9.02 O HETATM 1035 O HOH A 162 64.618 25.722 51.254 1.00 9.07 O HETATM 1036 O HOH A 163 80.459 3.686 60.980 1.00 9.09 O HETATM 1037 O HOH A 164 78.028 38.504 56.284 1.00 9.17 O HETATM 1038 O HOH A 165 86.654 18.586 47.334 1.00 9.67 O HETATM 1039 O HOH A 166 78.498 22.585 72.481 1.00 10.55 O HETATM 1040 O HOH A 167 59.375 17.028 47.303 1.00 10.69 O HETATM 1041 O HOH A 168 81.731 20.148 78.252 1.00 10.84 O HETATM 1042 O HOH A 169 65.324 9.018 47.704 1.00 11.05 O HETATM 1043 O HOH A 170 79.283 19.056 41.603 1.00 11.18 O HETATM 1044 O HOH A 171 63.912 16.468 43.304 1.00 11.53 O HETATM 1045 O HOH A 172 82.733 6.117 54.989 1.00 11.58 O HETATM 1046 O HOH A 173 83.596 4.313 69.374 1.00 12.08 O HETATM 1047 O HOH A 174 68.931 5.489 53.732 1.00 12.16 O HETATM 1048 O HOH A 175 76.616 20.624 38.792 1.00 12.22 O HETATM 1049 O HOH A 176 77.401 5.097 56.690 1.00 12.29 O HETATM 1050 O HOH A 177 83.770 37.557 56.615 1.00 13.23 O HETATM 1051 O HOH A 178 80.224 16.703 56.321 1.00 13.25 O HETATM 1052 O HOH A 179 63.448 19.308 58.947 1.00 13.64 O HETATM 1053 O HOH A 180 67.369 22.602 70.189 1.00 13.98 O HETATM 1054 O HOH A 181 88.301 18.664 49.775 1.00 14.12 O HETATM 1055 O HOH A 182 84.632 28.225 42.859 1.00 14.15 O HETATM 1056 O HOH A 183 89.634 23.761 53.584 1.00 14.19 O HETATM 1057 O HOH A 184 86.279 24.226 56.286 1.00 14.35 O HETATM 1058 O HOH A 185 76.067 34.113 44.006 1.00 14.38 O HETATM 1059 O HOH A 186 72.079 12.323 64.834 1.00 14.68 O HETATM 1060 O HOH A 187 74.656 9.802 40.900 1.00 14.74 O HETATM 1061 O HOH A 188 72.628 3.383 46.638 1.00 14.75 O HETATM 1062 O HOH A 189 65.481 22.350 44.413 1.00 14.76 O HETATM 1063 O HOH A 190 83.360 11.292 73.814 1.00 15.05 O HETATM 1064 O HOH A 191 64.154 24.641 42.192 1.00 15.29 O HETATM 1065 O HOH A 192 73.412 21.106 69.493 1.00 15.37 O HETATM 1066 O HOH A 193 84.066 6.430 66.379 1.00 15.74 O HETATM 1067 O HOH A 194 86.027 12.077 70.114 1.00 16.03 O HETATM 1068 O HOH A 195 99.835 21.101 63.243 1.00 16.33 O HETATM 1069 O HOH A 196 77.104 39.047 51.697 1.00 16.42 O HETATM 1070 O HOH A 197 93.006 15.919 54.989 1.00 16.54 O HETATM 1071 O HOH A 198 73.569 11.147 68.495 1.00 16.72 O HETATM 1072 O HOH A 199 71.284 12.077 47.260 1.00 16.84 O HETATM 1073 O HOH A 200 96.552 27.441 63.940 1.00 16.89 O HETATM 1074 O HOH A 201 74.813 1.882 50.663 1.00 17.02 O HETATM 1075 O HOH A 202 74.427 38.913 55.027 1.00 17.04 O HETATM 1076 O HOH A 203 81.086 5.333 53.880 1.00 17.09 O HETATM 1077 O HOH A 204 86.105 26.349 52.290 1.00 17.13 O HETATM 1078 O HOH A 205 72.544 33.267 53.918 1.00 17.14 O HETATM 1079 O HOH A 206 71.373 9.657 69.937 1.00 17.15 O HETATM 1080 O HOH A 207 69.323 10.508 50.071 1.00 17.19 O HETATM 1081 O HOH A 208 73.323 29.172 72.224 1.00 17.53 O HETATM 1082 O HOH A 209 79.596 3.764 66.157 1.00 17.54 O HETATM 1083 O HOH A 210 79.988 5.097 51.217 1.00 17.62 O HETATM 1084 O HOH A 211 80.929 23.055 72.185 1.00 17.70 O HETATM 1085 O HOH A 212 63.056 21.661 58.355 1.00 17.78 O HETATM 1086 O HOH A 213 74.264 33.485 41.418 1.00 17.80 O HETATM 1087 O HOH A 214 69.402 35.603 37.683 1.00 18.58 O HETATM 1088 O HOH A 215 83.299 32.774 47.075 1.00 18.66 O HETATM 1089 O HOH A 216 68.388 37.345 50.959 1.00 18.84 O HETATM 1090 O HOH A 217 100.148 11.926 68.272 1.00 19.04 O HETATM 1091 O HOH A 218 92.536 22.899 56.690 1.00 19.08 O HETATM 1092 O HOH A 219 87.046 17.017 45.374 1.00 19.14 O HETATM 1093 O HOH A 220 93.398 11.214 70.336 1.00 19.18 O HETATM 1094 O HOH A 221 73.715 12.782 72.779 1.00 19.20 O HETATM 1095 O HOH A 222 89.634 23.604 64.419 1.00 19.24 O HETATM 1096 O HOH A 223 98.574 17.644 62.237 1.00 19.39 O HETATM 1097 O HOH A 224 81.478 23.369 61.868 1.00 19.54 O HETATM 1098 O HOH A 225 77.479 6.117 71.039 1.00 19.75 O HETATM 1099 O HOH A 226 96.860 10.262 67.717 1.00 19.84 O HETATM 1100 O HOH A 227 82.184 21.252 61.978 1.00 19.94 O HETATM 1101 O HOH A 228 78.263 20.546 40.160 1.00 19.99 O HETATM 1102 O HOH A 229 87.987 19.997 52.401 1.00 20.02 O HETATM 1103 O HOH A 230 85.791 27.682 63.051 1.00 20.09 O HETATM 1104 O HOH A 231 66.735 29.721 43.525 1.00 20.39 O HETATM 1105 O HOH A 232 98.972 16.396 65.092 1.00 20.48 O HETATM 1106 O HOH A 233 57.017 23.700 42.118 1.00 20.58 O HETATM 1107 O HOH A 234 62.512 9.578 52.148 1.00 20.65 O HETATM 1108 O HOH A 235 70.976 20.877 69.856 1.00 20.70 O HETATM 1109 O HOH A 236 80.459 32.858 46.706 1.00 20.72 O HETATM 1110 O HOH A 237 76.303 12.547 38.681 1.00 20.88 O HETATM 1111 O HOH A 238 97.879 11.595 65.314 1.00 20.99 O HETATM 1112 O HOH A 239 82.201 32.381 61.315 1.00 21.18 O HETATM 1113 O HOH A 240 89.477 11.449 72.666 1.00 21.24 O HETATM 1114 O HOH A 241 72.695 28.231 39.752 1.00 21.26 O HETATM 1115 O HOH A 242 75.597 19.840 71.445 1.00 21.54 O HETATM 1116 O HOH A 243 76.381 2.666 53.399 1.00 21.64 O HETATM 1117 O HOH A 244 76.241 37.322 47.703 1.00 21.70 O HETATM 1118 O HOH A 245 75.518 30.897 42.601 1.00 21.73 O HETATM 1119 O HOH A 246 78.498 17.644 39.754 1.00 21.84 O HETATM 1120 O HOH A 247 67.598 10.116 58.207 1.00 21.95 O HETATM 1121 O HOH A 248 69.329 19.387 67.009 1.00 22.41 O HETATM 1122 O HOH A 249 98.737 10.357 70.269 1.00 22.46 O HETATM 1123 O HOH A 250 71.452 11.303 44.604 1.00 22.49 O HETATM 1124 O HOH A 251 72.146 13.410 71.262 1.00 22.69 O HETATM 1125 O HOH A 252 80.929 24.310 65.566 1.00 22.83 O HETATM 1126 O HOH A 253 81.171 37.580 60.648 1.00 22.95 O HETATM 1127 O HOH A 254 61.801 22.994 59.576 1.00 22.97 O HETATM 1128 O HOH A 255 68.231 14.211 68.377 1.00 23.00 O HETATM 1129 O HOH A 256 72.695 37.093 40.086 1.00 23.44 O HETATM 1130 O HOH A 257 81.322 27.682 69.301 1.00 23.90 O HETATM 1131 O HOH A 258 71.608 8.010 68.495 1.00 23.93 O HETATM 1132 O HOH A 259 66.825 12.637 46.564 1.00 24.04 O HETATM 1133 O HOH A 260 79.832 20.703 74.184 1.00 24.16 O HETATM 1134 O HOH A 261 63.677 24.310 62.126 1.00 24.17 O HETATM 1135 O HOH A 262 78.185 36.073 63.310 1.00 24.33 O HETATM 1136 O HOH A 263 93.006 7.685 69.559 1.00 24.45 O HETATM 1137 O HOH A 264 77.008 11.998 42.490 1.00 24.47 O HETATM 1138 O HOH A 265 74.196 9.421 71.786 1.00 24.52 O HETATM 1139 O HOH A 266 90.889 24.859 62.940 1.00 24.57 O HETATM 1140 O HOH A 267 71.922 6.520 57.623 1.00 24.67 O HETATM 1141 O HOH A 268 69.016 34.679 48.149 1.00 24.72 O HETATM 1142 O HOH A 269 73.558 27.918 41.824 1.00 24.83 O HETATM 1143 O HOH A 270 76.392 4.481 76.298 1.00 24.87 O HETATM 1144 O HOH A 271 69.648 8.402 52.739 1.00 24.95 O HETATM 1145 O HOH A 272 73.872 20.624 45.892 1.00 25.08 O HETATM 1146 O HOH A 273 70.656 15.684 64.604 1.00 25.30 O HETATM 1147 O HOH A 274 71.447 35.071 51.736 1.00 25.37 O HETATM 1148 O HOH A 275 77.636 11.136 55.433 1.00 25.61 O HETATM 1149 O HOH A 276 88.239 29.872 54.914 1.00 25.62 O HETATM 1150 O HOH A 277 79.596 13.567 53.621 1.00 25.70 O HETATM 1151 O HOH A 278 81.714 43.680 54.250 1.00 25.74 O HETATM 1152 O HOH A 279 79.843 7.831 70.232 1.00 25.79 O HETATM 1153 O HOH A 280 76.314 4.559 73.007 1.00 25.86 O HETATM 1154 O HOH A 281 61.644 20.485 56.137 1.00 25.92 O HETATM 1155 O HOH A 282 86.122 28.382 45.743 1.00 26.21 O HETATM 1156 O HOH A 283 79.143 26.500 67.010 1.00 26.33 O HETATM 1157 O HOH A 284 88.475 23.598 71.078 1.00 26.43 O HETATM 1158 O HOH A 285 85.489 17.634 43.606 1.00 26.53 O HETATM 1159 O HOH A 286 76.695 31.054 70.486 1.00 26.74 O HETATM 1160 O HOH A 287 77.014 38.129 59.354 1.00 26.84 O HETATM 1161 O HOH A 288 80.084 23.598 69.450 1.00 26.97 O HETATM 1162 O HOH A 289 64.697 14.272 59.242 1.00 26.99 O HETATM 1163 O HOH A 290 93.880 18.104 54.737 1.00 27.37 O HETATM 1164 O HOH A 291 79.439 29.251 70.854 1.00 27.40 O HETATM 1165 O HOH A 292 70.029 28.623 66.823 1.00 27.41 O HETATM 1166 O HOH A 293 64.069 22.977 64.456 1.00 27.48 O HETATM 1167 O HOH A 294 75.597 36.230 45.153 1.00 27.63 O HETATM 1168 O HOH A 295 75.373 18.753 73.339 1.00 27.75 O HETATM 1169 O HOH A 296 73.961 21.576 73.931 1.00 28.41 O HETATM 1170 O HOH A 297 87.371 11.046 73.710 1.00 28.46 O HETATM 1171 O HOH A 298 73.480 31.054 38.237 1.00 28.66 O HETATM 1172 O HOH A 299 80.694 9.724 74.184 1.00 28.67 O HETATM 1173 O HOH A 300 76.538 0.863 68.339 1.00 28.86 O HETATM 1174 O HOH A 301 87.987 25.486 68.783 1.00 29.15 O HETATM 1175 O HOH A 302 81.731 22.187 77.179 1.00 29.30 O HETATM 1176 O HOH A 303 76.067 32.466 47.150 1.00 29.36 O HETATM 1177 O HOH A 304 61.252 24.170 50.109 1.00 29.40 O HETATM 1178 O HOH A 305 75.597 29.721 37.941 1.00 29.74 O HETATM 1179 O HOH A 306 77.401 0.941 49.183 1.00 30.13 O HETATM 1180 O HOH A 307 79.047 5.646 67.710 1.00 30.57 O HETATM 1181 O HOH A 308 71.597 4.235 51.106 1.00 30.61 O HETATM 1182 O HOH A 309 62.742 20.720 60.870 1.00 30.72 O HETATM 1183 O HOH A 310 71.205 4.940 54.841 1.00 30.84 O HETATM 1184 O HOH A 311 76.538 4.470 48.925 1.00 31.05 O HETATM 1185 O HOH A 312 81.557 7.920 46.410 1.00 31.15 O HETATM 1186 O HOH A 313 73.558 5.646 56.358 1.00 31.26 O HETATM 1187 O HOH A 314 82.655 22.977 65.011 1.00 31.47 O HETATM 1188 O HOH A 315 61.017 20.171 54.177 1.00 31.52 O HETATM 1189 O HOH A 316 64.080 15.224 48.339 1.00 31.78 O HETATM 1190 O HOH A 317 85.007 8.705 71.113 1.00 31.95 O HETATM 1191 O HOH A 318 75.126 15.057 71.817 1.00 31.99 O HETATM 1192 O HOH A 319 99.918 22.809 56.845 1.00 32.34 O HETATM 1193 O HOH A 320 87.595 13.331 67.452 1.00 33.21 O HETATM 1194 O HOH A 321 75.048 3.058 47.186 1.00 33.34 O HETATM 1195 O HOH A 322 69.491 10.676 64.575 1.00 33.48 O HETATM 1196 O HOH A 323 89.869 7.215 70.743 1.00 33.87 O HETATM 1197 O HOH A 324 90.654 25.251 56.025 1.00 34.51 O HETATM 1198 O HOH A 325 61.873 25.957 59.575 1.00 35.34 O HETATM 1199 O HOH A 326 62.982 11.774 50.447 1.00 35.41 O HETATM 1200 O HOH A 327 85.164 0.078 66.527 1.00 35.60 O HETATM 1201 O HOH A 328 71.049 37.328 37.424 1.00 35.68 O HETATM 1202 O HOH A 329 87.360 25.251 65.233 1.00 35.76 O HETATM 1203 O HOH A 330 90.967 19.370 70.965 1.00 36.32 O HETATM 1204 O HOH A 331 71.055 38.364 47.853 1.00 36.58 O HETATM 1205 O HOH A 332 68.225 35.211 51.624 1.00 36.84 O HETATM 1206 O HOH A 333 74.745 8.716 67.127 1.00 36.90 O HETATM 1207 O HOH A 334 75.205 7.999 43.008 1.00 36.99 O HETATM 1208 O HOH A 335 94.043 24.853 58.316 1.00 37.04 O HETATM 1209 O HOH A 336 95.768 21.952 56.652 1.00 37.36 O HETATM 1210 O HOH A 337 98.350 16.457 71.009 1.00 37.45 O HETATM 1211 O HOH A 338 84.458 20.938 76.699 1.00 37.56 O HETATM 1212 O HOH A 339 92.154 5.478 71.452 1.00 38.36 O HETATM 1213 O HOH A 340 92.004 21.403 69.561 1.00 39.64 O HETATM 1214 O HOH A 341 72.695 2.509 69.855 1.00 39.74 O HETATM 1215 O HOH A 342 80.145 33.721 63.347 1.00 39.76 O HETATM 1216 O HOH A 343 87.214 5.792 71.896 1.00 40.28 O HETATM 1217 O HOH A 344 58.194 21.818 46.078 1.00 40.58 O HETATM 1218 O HOH A 345 74.028 6.901 48.185 1.00 40.72 O HETATM 1219 O HOH A 346 70.029 16.311 68.154 1.00 40.81 O HETATM 1220 O HOH A 347 99.846 25.324 59.059 1.00 40.82 O HETATM 1221 O HOH A 348 77.104 24.539 42.933 1.00 41.55 O HETATM 1222 O HOH A 349 79.832 11.998 39.643 1.00 41.57 O HETATM 1223 O HOH A 350 66.349 33.345 44.300 1.00 42.48 O HETATM 1224 O HOH A 351 71.519 14.665 37.683 1.00 42.61 O HETATM 1225 O HOH A 352 66.585 34.679 38.235 1.00 43.43 O HETATM 1226 O HOH A 353 63.050 41.484 46.151 1.00 43.80 O HETATM 1227 O HOH A 354 86.733 22.350 75.959 1.00 44.93 O HETATM 1228 O HOH A 355 84.145 22.507 58.096 1.00 47.14 O HETATM 1229 O HOH A 356 66.657 17.174 34.059 1.00 47.32 O HETATM 1230 O HOH A 357 84.469 6.184 62.577 1.00 48.12 O HETATM 1231 O HOH A 358 98.669 28.617 65.642 1.00 49.24 O HETATM 1232 O HOH A 359 84.850 23.291 62.274 1.00 49.26 O HETATM 1233 O HOH A 360 65.794 8.077 59.057 1.00 49.45 O HETATM 1234 O HOH A 361 81.019 2.185 63.834 1.00 49.49 O HETATM 1235 O HOH A 362 79.753 26.741 71.963 1.00 49.54 O HETATM 1236 O HOH A 363 61.801 29.660 59.428 1.00 49.67 O HETATM 1237 O HOH A 364 69.559 1.255 53.695 1.00 49.72 O HETATM 1238 O HOH A 365 76.852 18.193 49.664 1.00 49.80 O HETATM 1239 O HOH A 366 83.697 39.378 61.647 1.00 49.99 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 468 0 0 4 5 11 0 6 1238 1 8 10 END