HEADER HYDROLASE (O-GLYCOSYL) 30-JUL-90 4LYM TITLE CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL LYSOZYME AT TITLE 2 2.1-ANGSTROMS RESOLUTION. VARIABILITY IN HYDRATION SHELL TITLE 3 AND ITS STRUCTURAL CONSEQUENCES 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 R.KODANDAPANI,C.G.SURESH,M.VIJAYAN REVDAT 4 24-FEB-09 4LYM 1 VERSN REVDAT 3 01-APR-03 4LYM 1 JRNL REVDAT 2 15-MAY-95 4LYM 1 JRNL REMARK REVDAT 1 15-OCT-91 4LYM 0 JRNL AUTH R.KODANDAPANI,C.G.SURESH,M.VIJAYAN JRNL TITL CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL JRNL TITL 2 LYSOZYME AT 2.1-A RESOLUTION. VARIABILITY IN JRNL TITL 3 HYDRATION SHELL AND ITS STRUCTURAL CONSEQUENCES. JRNL REF J.BIOL.CHEM. V. 265 16126 1990 JRNL REFN ISSN 0021-9258 JRNL PMID 2398048 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH MADHUSUDHAN,M.VIJAYAN REMARK 1 TITL RIGID AND FLEXIBLE REGIONS IN LYSOZYME AND THE REMARK 1 TITL 2 INVARIANT FEATURES IN ITS HYDRATION SHELL REMARK 1 REF CURR.SCI. V. 60 165 1991 REMARK 1 REFN ISSN 0011-3891 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.M.SALUNKE,B.VEERAPANDIAN,R.KODANDAPANI,M.VIJAYAN REMARK 1 TITL WATER-MEDIATED TRANSFORMATIONS IN PROTEIN CRYSTALS REMARK 1 REF ACTA CRYSTALLOGR.,SECT.B V. 41 431 1985 REMARK 1 REFN ISSN 0108-7681 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.M.SALUNKE,B.VEERAPANDIAN,M.VIJAYAN REMARK 1 TITL WATER-MEDIATED STRUCTURAL TRANSFORMATIONS IN A NEW REMARK 1 TITL 2 CRYSTAL FORM OF RIBONUCLEASEA AND TETRAGONAL REMARK 1 TITL 3 LYSOZYME REMARK 1 REF CURR.SCI. V. 53 231 1984 REMARK 1 REFN ISSN 0011-3891 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 6269 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) : 0.162 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 : 157 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) : 0.016 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.057 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.066 ; 0.060 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.015 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.137 ; 0.120 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.198 ; 0.500 REMARK 3 MULTIPLE TORSION (A) : 0.292 ; 0.500 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.250 ; 0.500 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 4LYM 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 (%): 38.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 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 18.80000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.20000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.20000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.20000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.20000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.20000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.40000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.20000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.20000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.20000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.20000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.20000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.40000 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 18.80000 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 134 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 171 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 198 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 200 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 228 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 233 LIES ON A SPECIAL POSITION. 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 CYS A 115 OG1 THR A 118 2.18 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 PHE A 3 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES REMARK 500 PHE A 3 CB - CG - CD1 ANGL. DEV. = 4.3 DEGREES REMARK 500 PHE A 3 O - C - N ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 ALA A 11 N - CA - CB ANGL. DEV. = -9.1 DEGREES REMARK 500 MET A 12 CA - CB - CG ANGL. DEV. = -11.0 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 13.1 DEGREES REMARK 500 ARG A 21 CG - CD - NE ANGL. DEV. = 13.0 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TYR A 23 CB - CG - CD2 ANGL. DEV. = -9.9 DEGREES REMARK 500 TYR A 23 CD1 - CG - CD2 ANGL. DEV. = 7.2 DEGREES REMARK 500 TYR A 23 CG - CD1 - CE1 ANGL. DEV. = -8.1 DEGREES REMARK 500 ALA A 32 O - C - N ANGL. DEV. = -10.9 DEGREES REMARK 500 ARG A 45 CD - NE - CZ ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP A 48 CB - CG - OD2 ANGL. DEV. = -8.4 DEGREES REMARK 500 THR A 51 CA - CB - CG2 ANGL. DEV. = 8.4 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG A 61 CD - NE - CZ ANGL. DEV. = 14.4 DEGREES REMARK 500 ARG A 61 NE - CZ - NH1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ARG A 61 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 9.3 DEGREES REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.3 DEGREES REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = -4.6 DEGREES REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = 6.9 DEGREES REMARK 500 SER A 72 C - N - CA ANGL. DEV. = 16.3 DEGREES REMARK 500 ARG A 73 NE - CZ - NH1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASN A 77 N - CA - CB ANGL. DEV. = 11.9 DEGREES REMARK 500 SER A 85 N - CA - CB ANGL. DEV. = -9.7 DEGREES REMARK 500 SER A 91 N - CA - CB ANGL. DEV. = 9.9 DEGREES REMARK 500 ALA A 110 CA - C - O ANGL. DEV. = -13.1 DEGREES REMARK 500 ALA A 110 O - C - N ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG A 114 NH1 - CZ - NH2 ANGL. DEV. = -14.4 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = 9.2 DEGREES REMARK 500 CYS A 115 O - C - N ANGL. DEV. = 10.0 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 5.6 DEGREES REMARK 500 LEU A 129 CA - CB - CG ANGL. DEV. = 23.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 116 134.36 -38.19 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 5 0.10 SIDE_CHAIN REMARK 500 ARG A 14 0.20 SIDE_CHAIN REMARK 500 ARG A 21 0.15 SIDE_CHAIN REMARK 500 ARG A 68 0.24 SIDE_CHAIN REMARK 500 ARG A 73 0.16 SIDE_CHAIN REMARK 500 ARG A 114 0.11 SIDE_CHAIN REMARK 500 ARG A 125 0.22 SIDE_CHAIN REMARK 500 ARG A 128 0.15 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 130 DISTANCE = 6.18 ANGSTROMS REMARK 525 HOH A 131 DISTANCE = 7.42 ANGSTROMS REMARK 525 HOH A 133 DISTANCE = 7.42 ANGSTROMS REMARK 525 HOH A 134 DISTANCE = 11.33 ANGSTROMS REMARK 525 HOH A 135 DISTANCE = 8.80 ANGSTROMS REMARK 525 HOH A 136 DISTANCE = 8.76 ANGSTROMS REMARK 525 HOH A 141 DISTANCE = 8.66 ANGSTROMS REMARK 525 HOH A 143 DISTANCE = 6.19 ANGSTROMS REMARK 525 HOH A 145 DISTANCE = 12.14 ANGSTROMS REMARK 525 HOH A 148 DISTANCE = 7.84 ANGSTROMS REMARK 525 HOH A 154 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH A 157 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 163 DISTANCE = 5.50 ANGSTROMS REMARK 525 HOH A 170 DISTANCE = 8.73 ANGSTROMS REMARK 525 HOH A 177 DISTANCE = 7.83 ANGSTROMS REMARK 525 HOH A 198 DISTANCE = 5.64 ANGSTROMS REMARK 525 HOH A 233 DISTANCE = 7.46 ANGSTROMS REMARK 525 HOH A 239 DISTANCE = 5.66 ANGSTROMS REMARK 525 HOH A 241 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH A 253 DISTANCE = 5.30 ANGSTROMS REMARK 525 HOH A 254 DISTANCE = 7.03 ANGSTROMS REMARK 525 HOH A 255 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH A 265 DISTANCE = 5.46 ANGSTROMS REMARK 525 HOH A 266 DISTANCE = 5.43 ANGSTROMS REMARK 525 HOH A 272 DISTANCE = 9.85 ANGSTROMS REMARK 525 HOH A 273 DISTANCE = 5.34 ANGSTROMS REMARK 525 HOH A 279 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 280 DISTANCE = 5.55 ANGSTROMS REMARK 525 HOH A 284 DISTANCE = 8.45 ANGSTROMS REMARK 525 HOH A 285 DISTANCE = 10.33 ANGSTROMS DBREF 4LYM 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 *157(H2 O) HELIX 1 H1 ARG A 5 HIS A 15 1 11 HELIX 2 H2 LEU A 25 SER A 36 1 12 HELIX 3 H5 CYS A 80 LEU A 84 5BETWEEN ALPHA AND 3=10= 5 HELIX 4 H3 ILE A 88 ASP A 101 1 14 HELIX 5 H4 VAL A 109 CYS A 115 1CLOSE TO PI HELIX 7 HELIX 6 H6 VAL A 120 ILE A 124 5BETWEEN ALPHA AND 3=10= 5 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 2.01 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.01 CRYST1 78.400 78.400 37.600 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 0.012755 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012755 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026596 0.00000 ATOM 1 N LYS A 1 2.761 9.528 10.118 1.00 11.84 N ATOM 2 CA LYS A 1 1.871 10.148 9.078 1.00 7.53 C ATOM 3 C LYS A 1 1.885 11.657 9.008 1.00 7.41 C ATOM 4 O LYS A 1 1.797 12.465 9.963 1.00 7.61 O ATOM 5 CB LYS A 1 0.463 9.685 9.451 1.00 9.90 C ATOM 6 CG LYS A 1 -0.547 10.191 8.404 1.00 13.55 C ATOM 7 CD LYS A 1 -1.923 9.714 8.918 1.00 15.43 C ATOM 8 CE LYS A 1 -2.920 10.174 7.832 1.00 15.03 C ATOM 9 NZ LYS A 1 -4.280 9.857 8.261 1.00 25.44 N ATOM 10 N VAL A 2 1.960 12.177 7.815 1.00 15.92 N ATOM 11 CA VAL A 2 1.914 13.523 7.275 1.00 21.43 C ATOM 12 C VAL A 2 0.459 13.682 6.755 1.00 20.39 C ATOM 13 O VAL A 2 -0.008 13.066 5.788 1.00 18.58 O ATOM 14 CB VAL A 2 3.060 13.704 6.265 1.00 17.09 C ATOM 15 CG1 VAL A 2 3.017 15.098 5.630 1.00 23.63 C ATOM 16 CG2 VAL A 2 4.459 13.361 6.803 1.00 5.28 C ATOM 17 N PHE A 3 -0.339 14.465 7.484 1.00 20.21 N ATOM 18 CA PHE A 3 -1.758 14.670 7.201 1.00 17.09 C ATOM 19 C PHE A 3 -1.789 15.761 6.128 1.00 19.91 C ATOM 20 O PHE A 3 -0.748 16.422 6.046 1.00 21.11 O ATOM 21 CB PHE A 3 -2.659 15.072 8.346 1.00 8.14 C ATOM 22 CG PHE A 3 -3.030 14.079 9.416 1.00 9.50 C ATOM 23 CD1 PHE A 3 -2.157 13.573 10.378 1.00 0.90 C ATOM 24 CD2 PHE A 3 -4.358 13.613 9.392 1.00 14.60 C ATOM 25 CE1 PHE A 3 -2.619 12.688 11.351 1.00 21.83 C ATOM 26 CE2 PHE A 3 -4.838 12.727 10.309 1.00 12.19 C ATOM 27 CZ PHE A 3 -3.966 12.262 11.315 1.00 33.06 C ATOM 28 N GLY A 4 -2.936 15.772 5.484 1.00 38.31 N ATOM 29 CA GLY A 4 -3.244 16.785 4.426 1.00 16.79 C ATOM 30 C GLY A 4 -3.994 17.848 5.263 1.00 7.45 C ATOM 31 O GLY A 4 -4.501 17.437 6.358 1.00 11.18 O ATOM 32 N ARG A 5 -4.053 19.068 4.797 1.00 13.51 N ATOM 33 CA ARG A 5 -4.724 20.119 5.602 1.00 11.87 C ATOM 34 C ARG A 5 -6.183 19.853 5.889 1.00 29.56 C ATOM 35 O ARG A 5 -6.591 19.991 7.084 1.00 27.55 O ATOM 36 CB ARG A 5 -4.371 21.471 4.921 1.00 8.69 C ATOM 37 CG ARG A 5 -5.032 22.645 5.636 1.00 12.76 C ATOM 38 CD ARG A 5 -4.982 23.833 4.761 1.00 28.93 C ATOM 39 NE ARG A 5 -5.528 23.565 3.432 1.00 32.34 N ATOM 40 CZ ARG A 5 -6.653 24.140 2.983 1.00 25.15 C ATOM 41 NH1 ARG A 5 -7.494 24.635 3.911 1.00 11.99 N ATOM 42 NH2 ARG A 5 -6.882 24.179 1.675 1.00 27.30 N ATOM 43 N CYS A 6 -6.962 19.492 4.879 1.00 36.28 N ATOM 44 CA CYS A 6 -8.410 19.212 5.013 1.00 16.32 C ATOM 45 C CYS A 6 -8.632 17.942 5.783 1.00 15.02 C ATOM 46 O CYS A 6 -9.584 17.834 6.564 1.00 11.40 O ATOM 47 CB CYS A 6 -9.109 19.159 3.649 1.00 2.50 C ATOM 48 SG CYS A 6 -9.096 20.920 3.061 1.00 17.08 S ATOM 49 N GLU A 7 -7.709 17.010 5.580 1.00 22.05 N ATOM 50 CA GLU A 7 -7.718 15.733 6.331 1.00 7.41 C ATOM 51 C GLU A 7 -7.383 15.930 7.801 1.00 9.89 C ATOM 52 O GLU A 7 -7.970 15.360 8.756 1.00 16.38 O ATOM 53 CB GLU A 7 -6.756 14.772 5.645 1.00 5.64 C ATOM 54 CG GLU A 7 -6.512 13.477 6.456 1.00 12.98 C ATOM 55 CD GLU A 7 -5.394 12.658 5.842 1.00 29.26 C ATOM 56 OE1 GLU A 7 -4.442 13.160 5.251 1.00 31.76 O ATOM 57 OE2 GLU A 7 -5.648 11.461 6.060 1.00 24.26 O ATOM 58 N LEU A 8 -6.435 16.813 8.127 1.00 14.81 N ATOM 59 CA LEU A 8 -6.200 17.067 9.560 1.00 17.70 C ATOM 60 C LEU A 8 -7.421 17.774 10.157 1.00 7.72 C ATOM 61 O LEU A 8 -7.942 17.535 11.289 1.00 11.61 O ATOM 62 CB LEU A 8 -4.834 17.759 9.693 1.00 2.90 C ATOM 63 CG LEU A 8 -4.372 18.220 11.045 1.00 8.03 C ATOM 64 CD1 LEU A 8 -4.529 17.132 12.075 1.00 6.80 C ATOM 65 CD2 LEU A 8 -2.884 18.573 10.908 1.00 16.37 C ATOM 66 N ALA A 9 -7.962 18.763 9.446 1.00 13.08 N ATOM 67 CA ALA A 9 -9.095 19.484 10.002 1.00 6.11 C ATOM 68 C ALA A 9 -10.283 18.551 10.233 1.00 11.08 C ATOM 69 O ALA A 9 -10.951 18.802 11.244 1.00 21.13 O ATOM 70 CB ALA A 9 -9.526 20.645 9.084 1.00 7.07 C ATOM 71 N ALA A 10 -10.586 17.606 9.377 1.00 34.27 N ATOM 72 CA ALA A 10 -11.742 16.696 9.509 1.00 11.07 C ATOM 73 C ALA A 10 -11.624 15.960 10.841 1.00 1.61 C ATOM 74 O ALA A 10 -12.584 15.868 11.626 1.00 24.71 O ATOM 75 CB ALA A 10 -11.862 15.704 8.350 1.00 9.44 C ATOM 76 N ALA A 11 -10.430 15.434 11.002 1.00 13.63 N ATOM 77 CA ALA A 11 -10.099 14.646 12.206 1.00 7.08 C ATOM 78 C ALA A 11 -10.097 15.393 13.528 1.00 4.64 C ATOM 79 O ALA A 11 -10.471 14.896 14.631 1.00 13.32 O ATOM 80 CB ALA A 11 -8.793 13.945 11.750 1.00 20.67 C ATOM 81 N MET A 12 -9.580 16.610 13.568 1.00 24.20 N ATOM 82 CA MET A 12 -9.540 17.458 14.768 1.00 22.03 C ATOM 83 C MET A 12 -10.983 17.790 15.194 1.00 6.66 C ATOM 84 O MET A 12 -11.363 17.897 16.324 1.00 1.68 O ATOM 85 CB MET A 12 -8.856 18.780 14.437 1.00 1.11 C ATOM 86 CG MET A 12 -7.445 18.561 14.978 1.00 16.19 C ATOM 87 SD MET A 12 -6.378 19.861 14.239 1.00 19.54 S ATOM 88 CE MET A 12 -4.871 19.561 15.197 1.00 8.81 C ATOM 89 N LYS A 13 -11.752 18.058 14.164 1.00 7.91 N ATOM 90 CA LYS A 13 -13.154 18.398 14.140 1.00 13.78 C ATOM 91 C LYS A 13 -13.852 17.205 14.781 1.00 18.62 C ATOM 92 O LYS A 13 -14.502 17.258 15.830 1.00 15.67 O ATOM 93 CB LYS A 13 -13.487 18.614 12.690 1.00 14.67 C ATOM 94 CG LYS A 13 -14.531 19.689 12.423 1.00 30.82 C ATOM 95 CD LYS A 13 -15.805 19.224 13.110 1.00 24.07 C ATOM 96 CE LYS A 13 -16.916 19.350 12.072 1.00 25.34 C ATOM 97 NZ LYS A 13 -17.373 20.770 12.053 1.00 51.63 N ATOM 98 N ARG A 14 -13.657 16.034 14.209 1.00 33.06 N ATOM 99 CA ARG A 14 -14.250 14.773 14.720 1.00 28.57 C ATOM 100 C ARG A 14 -14.056 14.561 16.214 1.00 14.63 C ATOM 101 O ARG A 14 -14.966 14.073 16.960 1.00 13.13 O ATOM 102 CB ARG A 14 -13.739 13.711 13.719 1.00 32.49 C ATOM 103 CG ARG A 14 -14.771 12.638 13.374 1.00 59.76 C ATOM 104 CD ARG A 14 -14.495 11.454 14.259 1.00 44.94 C ATOM 105 NE ARG A 14 -13.561 10.547 13.608 1.00 22.83 N ATOM 106 CZ ARG A 14 -12.600 9.873 14.251 1.00 44.75 C ATOM 107 NH1 ARG A 14 -12.923 9.285 15.406 1.00 16.98 N ATOM 108 NH2 ARG A 14 -11.345 9.711 13.828 1.00 17.40 N ATOM 109 N HIS A 15 -12.909 14.904 16.793 1.00 26.34 N ATOM 110 CA HIS A 15 -12.372 14.844 18.126 1.00 10.08 C ATOM 111 C HIS A 15 -12.612 16.010 19.094 1.00 11.60 C ATOM 112 O HIS A 15 -11.843 16.178 20.061 1.00 35.18 O ATOM 113 CB HIS A 15 -10.818 14.675 18.203 1.00 19.25 C ATOM 114 CG HIS A 15 -10.387 13.307 17.789 1.00 21.41 C ATOM 115 ND1 HIS A 15 -9.952 13.033 16.524 1.00 15.14 N ATOM 116 CD2 HIS A 15 -10.303 12.125 18.424 1.00 19.40 C ATOM 117 CE1 HIS A 15 -9.596 11.770 16.416 1.00 9.58 C ATOM 118 NE2 HIS A 15 -9.803 11.181 17.558 1.00 25.50 N ATOM 119 N GLY A 16 -13.617 16.805 18.843 1.00 22.30 N ATOM 120 CA GLY A 16 -14.151 17.946 19.505 1.00 13.47 C ATOM 121 C GLY A 16 -13.300 19.181 19.683 1.00 13.35 C ATOM 122 O GLY A 16 -13.525 19.854 20.707 1.00 32.33 O ATOM 123 N LEU A 17 -12.408 19.513 18.751 1.00 18.38 N ATOM 124 CA LEU A 17 -11.526 20.684 18.837 1.00 7.58 C ATOM 125 C LEU A 17 -12.119 21.970 18.267 1.00 15.72 C ATOM 126 O LEU A 17 -11.588 23.053 18.604 1.00 29.83 O ATOM 127 CB LEU A 17 -10.159 20.398 18.161 1.00 12.90 C ATOM 128 CG LEU A 17 -9.157 19.572 18.993 1.00 13.50 C ATOM 129 CD1 LEU A 17 -7.769 19.745 18.403 1.00 10.49 C ATOM 130 CD2 LEU A 17 -9.134 20.040 20.414 1.00 9.72 C ATOM 131 N ASP A 18 -13.122 21.903 17.413 1.00 20.39 N ATOM 132 CA ASP A 18 -13.709 23.123 16.806 1.00 28.47 C ATOM 133 C ASP A 18 -14.436 23.809 17.972 1.00 32.78 C ATOM 134 O ASP A 18 -15.336 23.206 18.538 1.00 26.28 O ATOM 135 CB ASP A 18 -14.549 22.924 15.572 1.00 44.31 C ATOM 136 CG ASP A 18 -15.042 24.132 14.801 1.00 72.59 C ATOM 137 OD1 ASP A 18 -14.706 25.330 14.845 1.00 34.56 O ATOM 138 OD2 ASP A 18 -15.937 23.850 13.955 1.00 58.07 O ATOM 139 N ASN A 19 -13.961 24.980 18.310 1.00 23.28 N ATOM 140 CA ASN A 19 -14.353 25.871 19.385 1.00 23.36 C ATOM 141 C ASN A 19 -14.081 25.276 20.764 1.00 13.00 C ATOM 142 O ASN A 19 -14.747 25.718 21.745 1.00 18.72 O ATOM 143 CB ASN A 19 -15.767 26.472 19.372 1.00 20.62 C ATOM 144 CG ASN A 19 -15.675 27.792 18.615 1.00 48.08 C ATOM 145 OD1 ASN A 19 -15.181 28.824 19.107 1.00 49.26 O ATOM 146 ND2 ASN A 19 -16.150 27.658 17.372 1.00 73.60 N ATOM 147 N TYR A 20 -13.119 24.357 20.815 1.00 8.86 N ATOM 148 CA TYR A 20 -12.786 23.840 22.148 1.00 8.08 C ATOM 149 C TYR A 20 -12.059 25.040 22.803 1.00 18.99 C ATOM 150 O TYR A 20 -11.142 25.648 22.258 1.00 18.34 O ATOM 151 CB TYR A 20 -11.983 22.597 22.137 1.00 11.97 C ATOM 152 CG TYR A 20 -11.790 22.082 23.544 1.00 17.52 C ATOM 153 CD1 TYR A 20 -10.738 22.548 24.324 1.00 22.62 C ATOM 154 CD2 TYR A 20 -12.642 21.069 24.016 1.00 11.49 C ATOM 155 CE1 TYR A 20 -10.543 22.017 25.610 1.00 16.08 C ATOM 156 CE2 TYR A 20 -12.438 20.510 25.294 1.00 10.49 C ATOM 157 CZ TYR A 20 -11.384 21.003 26.079 1.00 21.21 C ATOM 158 OH TYR A 20 -11.153 20.477 27.334 1.00 23.31 O ATOM 159 N ARG A 21 -12.592 25.349 23.953 1.00 16.29 N ATOM 160 CA ARG A 21 -12.342 26.456 24.879 1.00 15.77 C ATOM 161 C ARG A 21 -12.288 27.774 24.086 1.00 17.06 C ATOM 162 O ARG A 21 -11.564 28.740 24.327 1.00 21.78 O ATOM 163 CB ARG A 21 -11.223 26.166 25.867 1.00 15.74 C ATOM 164 CG ARG A 21 -11.570 25.916 27.347 1.00 23.53 C ATOM 165 CD ARG A 21 -10.486 26.368 28.253 1.00106.75 C ATOM 166 NE ARG A 21 -10.693 26.946 29.577 1.00 67.58 N ATOM 167 CZ ARG A 21 -9.657 27.581 30.189 1.00 29.41 C ATOM 168 NH1 ARG A 21 -8.732 28.170 29.398 1.00 67.40 N ATOM 169 NH2 ARG A 21 -9.427 27.723 31.486 1.00 58.45 N ATOM 170 N GLY A 22 -13.147 27.935 23.089 1.00 13.47 N ATOM 171 CA GLY A 22 -13.355 29.029 22.157 1.00 25.17 C ATOM 172 C GLY A 22 -12.375 29.239 20.995 1.00 25.37 C ATOM 173 O GLY A 22 -12.306 30.326 20.340 1.00 12.39 O ATOM 174 N TYR A 23 -11.608 28.176 20.737 1.00 14.92 N ATOM 175 CA TYR A 23 -10.612 28.262 19.647 1.00 17.57 C ATOM 176 C TYR A 23 -11.133 27.435 18.481 1.00 5.80 C ATOM 177 O TYR A 23 -11.159 26.194 18.419 1.00 9.08 O ATOM 178 CB TYR A 23 -9.198 27.802 19.941 1.00 7.45 C ATOM 179 CG TYR A 23 -8.464 28.721 20.905 1.00 9.27 C ATOM 180 CD1 TYR A 23 -7.735 29.862 20.498 1.00 0.50 C ATOM 181 CD2 TYR A 23 -8.527 28.226 22.225 1.00 2.82 C ATOM 182 CE1 TYR A 23 -7.109 30.526 21.562 1.00 14.36 C ATOM 183 CE2 TYR A 23 -7.912 28.941 23.246 1.00 7.95 C ATOM 184 CZ TYR A 23 -7.203 30.113 22.882 1.00 6.25 C ATOM 185 OH TYR A 23 -6.583 30.754 23.949 1.00 10.69 O ATOM 186 N SER A 24 -11.494 28.305 17.556 1.00 15.34 N ATOM 187 CA SER A 24 -12.062 27.814 16.281 1.00 18.64 C ATOM 188 C SER A 24 -11.103 26.833 15.639 1.00 14.85 C ATOM 189 O SER A 24 -9.889 26.818 15.921 1.00 24.67 O ATOM 190 CB SER A 24 -12.394 29.021 15.435 1.00 10.31 C ATOM 191 OG SER A 24 -11.233 29.528 14.826 1.00 18.41 O ATOM 192 N LEU A 25 -11.629 25.996 14.746 1.00 15.25 N ATOM 193 CA LEU A 25 -10.768 25.022 14.087 1.00 12.98 C ATOM 194 C LEU A 25 -9.548 25.534 13.317 1.00 15.65 C ATOM 195 O LEU A 25 -8.585 24.729 13.250 1.00 7.74 O ATOM 196 CB LEU A 25 -11.606 24.213 13.102 1.00 25.04 C ATOM 197 CG LEU A 25 -11.828 22.727 13.089 1.00 23.21 C ATOM 198 CD1 LEU A 25 -12.186 22.494 11.634 1.00 11.53 C ATOM 199 CD2 LEU A 25 -10.685 21.919 13.677 1.00 6.53 C ATOM 200 N GLY A 26 -9.521 26.662 12.672 1.00 14.48 N ATOM 201 CA GLY A 26 -8.340 27.093 11.913 1.00 0.50 C ATOM 202 C GLY A 26 -7.150 27.343 12.861 1.00 4.04 C ATOM 203 O GLY A 26 -6.062 27.330 12.300 1.00 7.08 O ATOM 204 N ASN A 27 -7.343 27.647 14.121 1.00 6.59 N ATOM 205 CA ASN A 27 -6.295 27.933 15.123 1.00 31.91 C ATOM 206 C ASN A 27 -5.421 26.671 15.327 1.00 24.18 C ATOM 207 O ASN A 27 -4.192 26.765 15.271 1.00 16.38 O ATOM 208 CB ASN A 27 -6.742 28.403 16.511 1.00 1.13 C ATOM 209 CG ASN A 27 -7.271 29.789 16.541 1.00 22.04 C ATOM 210 OD1 ASN A 27 -6.436 30.683 16.611 1.00 10.03 O ATOM 211 ND2 ASN A 27 -8.584 29.983 16.470 1.00 1.25 N ATOM 212 N TRP A 28 -6.084 25.575 15.581 1.00 8.80 N ATOM 213 CA TRP A 28 -5.676 24.187 15.756 1.00 12.73 C ATOM 214 C TRP A 28 -4.893 23.678 14.521 1.00 28.57 C ATOM 215 O TRP A 28 -3.804 23.056 14.700 1.00 8.08 O ATOM 216 CB TRP A 28 -6.889 23.251 16.064 1.00 3.10 C ATOM 217 CG TRP A 28 -7.587 23.627 17.330 1.00 1.88 C ATOM 218 CD1 TRP A 28 -8.806 24.243 17.512 1.00 0.50 C ATOM 219 CD2 TRP A 28 -6.983 23.427 18.631 1.00 6.60 C ATOM 220 NE1 TRP A 28 -8.955 24.408 18.862 1.00 15.51 N ATOM 221 CE2 TRP A 28 -7.898 23.938 19.574 1.00 9.57 C ATOM 222 CE3 TRP A 28 -5.768 22.864 19.063 1.00 0.50 C ATOM 223 CZ2 TRP A 28 -7.678 23.887 20.951 1.00 30.14 C ATOM 224 CZ3 TRP A 28 -5.539 22.850 20.422 1.00 11.33 C ATOM 225 CH2 TRP A 28 -6.457 23.361 21.369 1.00 7.12 C ATOM 226 N VAL A 29 -5.407 23.948 13.327 1.00 5.21 N ATOM 227 CA VAL A 29 -4.793 23.548 12.023 1.00 21.02 C ATOM 228 C VAL A 29 -3.535 24.371 11.812 1.00 5.15 C ATOM 229 O VAL A 29 -2.480 23.803 11.457 1.00 22.93 O ATOM 230 CB VAL A 29 -5.747 23.577 10.805 1.00 7.36 C ATOM 231 CG1 VAL A 29 -5.167 23.225 9.462 1.00 3.25 C ATOM 232 CG2 VAL A 29 -6.934 22.642 11.042 1.00 10.46 C ATOM 233 N CYS A 30 -3.535 25.662 12.051 1.00 8.19 N ATOM 234 CA CYS A 30 -2.436 26.603 11.946 1.00 11.98 C ATOM 235 C CYS A 30 -1.274 26.156 12.885 1.00 5.13 C ATOM 236 O CYS A 30 -0.072 26.106 12.491 1.00 12.24 O ATOM 237 CB CYS A 30 -2.919 28.024 12.286 1.00 4.96 C ATOM 238 SG CYS A 30 -1.690 29.340 12.019 1.00 11.21 S ATOM 239 N ALA A 31 -1.700 25.881 14.099 1.00 10.35 N ATOM 240 CA ALA A 31 -0.906 25.451 15.256 1.00 18.45 C ATOM 241 C ALA A 31 -0.133 24.212 14.778 1.00 21.23 C ATOM 242 O ALA A 31 1.080 24.340 14.887 1.00 11.88 O ATOM 243 CB ALA A 31 -1.645 25.194 16.556 1.00 9.49 C ATOM 244 N ALA A 32 -0.877 23.256 14.245 1.00 20.10 N ATOM 245 CA ALA A 32 -0.367 22.006 13.673 1.00 24.12 C ATOM 246 C ALA A 32 0.687 22.228 12.605 1.00 6.63 C ATOM 247 O ALA A 32 1.813 21.731 12.469 1.00 11.71 O ATOM 248 CB ALA A 32 -1.567 21.164 13.138 1.00 7.86 C ATOM 249 N LYS A 33 0.431 23.102 11.679 1.00 6.31 N ATOM 250 CA LYS A 33 1.224 23.540 10.537 1.00 19.20 C ATOM 251 C LYS A 33 2.596 24.041 10.955 1.00 18.01 C ATOM 252 O LYS A 33 3.612 23.552 10.473 1.00 12.62 O ATOM 253 CB LYS A 33 0.394 24.646 9.865 1.00 24.04 C ATOM 254 CG LYS A 33 1.000 25.313 8.623 1.00 6.84 C ATOM 255 CD LYS A 33 1.662 24.201 7.799 1.00 19.36 C ATOM 256 CE LYS A 33 2.742 24.849 6.916 1.00 15.83 C ATOM 257 NZ LYS A 33 2.891 23.823 5.836 1.00 33.10 N ATOM 258 N PHE A 34 2.640 25.026 11.820 1.00 21.22 N ATOM 259 CA PHE A 34 3.829 25.703 12.333 1.00 20.34 C ATOM 260 C PHE A 34 4.541 24.941 13.439 1.00 6.11 C ATOM 261 O PHE A 34 5.725 25.198 13.695 1.00 18.27 O ATOM 262 CB PHE A 34 3.380 27.139 12.691 1.00 5.63 C ATOM 263 CG PHE A 34 3.029 27.845 11.403 1.00 7.12 C ATOM 264 CD1 PHE A 34 3.868 27.726 10.314 1.00 2.65 C ATOM 265 CD2 PHE A 34 1.825 28.540 11.269 1.00 21.37 C ATOM 266 CE1 PHE A 34 3.579 28.418 9.125 1.00 13.43 C ATOM 267 CE2 PHE A 34 1.470 29.192 10.093 1.00 13.04 C ATOM 268 CZ PHE A 34 2.353 29.111 9.018 1.00 21.88 C ATOM 269 N GLU A 35 3.920 24.011 14.132 1.00 10.71 N ATOM 270 CA GLU A 35 4.519 23.174 15.169 1.00 16.16 C ATOM 271 C GLU A 35 5.169 21.918 14.581 1.00 29.97 C ATOM 272 O GLU A 35 6.352 21.605 14.873 1.00 8.63 O ATOM 273 CB GLU A 35 3.556 22.674 16.264 1.00 1.72 C ATOM 274 CG GLU A 35 3.123 23.733 17.293 1.00 6.57 C ATOM 275 CD GLU A 35 4.178 24.382 18.146 1.00 4.35 C ATOM 276 OE1 GLU A 35 5.293 23.892 18.233 1.00 14.59 O ATOM 277 OE2 GLU A 35 3.877 25.435 18.776 1.00 15.34 O ATOM 278 N SER A 36 4.426 21.210 13.707 1.00 7.77 N ATOM 279 CA SER A 36 5.044 19.935 13.241 1.00 9.16 C ATOM 280 C SER A 36 5.026 19.798 11.746 1.00 13.42 C ATOM 281 O SER A 36 5.493 18.825 11.166 1.00 13.54 O ATOM 282 CB SER A 36 4.183 18.790 13.806 1.00 9.05 C ATOM 283 OG SER A 36 2.898 18.749 13.138 1.00 12.76 O ATOM 284 N ASN A 37 4.320 20.752 11.209 1.00 14.54 N ATOM 285 CA ASN A 37 4.032 20.902 9.793 1.00 11.29 C ATOM 286 C ASN A 37 3.352 19.642 9.234 1.00 7.93 C ATOM 287 O ASN A 37 3.607 19.046 8.178 1.00 5.74 O ATOM 288 CB ASN A 37 5.369 21.409 9.257 1.00 73.08 C ATOM 289 CG ASN A 37 5.256 21.543 7.748 1.00 64.36 C ATOM 290 OD1 ASN A 37 4.729 22.557 7.291 1.00 36.64 O ATOM 291 ND2 ASN A 37 5.758 20.439 7.229 1.00 34.74 N ATOM 292 N PHE A 38 2.423 19.233 10.067 1.00 10.88 N ATOM 293 CA PHE A 38 1.452 18.166 9.926 1.00 15.11 C ATOM 294 C PHE A 38 1.951 16.737 10.026 1.00 31.59 C ATOM 295 O PHE A 38 1.213 15.840 9.536 1.00 17.34 O ATOM 296 CB PHE A 38 0.760 18.418 8.576 1.00 13.88 C ATOM 297 CG PHE A 38 -0.079 19.632 8.390 1.00 16.51 C ATOM 298 CD1 PHE A 38 -0.609 20.302 9.529 1.00 3.73 C ATOM 299 CD2 PHE A 38 -0.325 20.086 7.082 1.00 22.31 C ATOM 300 CE1 PHE A 38 -1.376 21.439 9.317 1.00 12.30 C ATOM 301 CE2 PHE A 38 -1.101 21.242 6.883 1.00 6.16 C ATOM 302 CZ PHE A 38 -1.632 21.890 8.015 1.00 25.67 C ATOM 303 N ASN A 39 3.103 16.544 10.636 1.00 11.38 N ATOM 304 CA ASN A 39 3.821 15.292 10.816 1.00 7.18 C ATOM 305 C ASN A 39 3.648 14.781 12.248 1.00 10.61 C ATOM 306 O ASN A 39 4.276 15.401 13.126 1.00 10.16 O ATOM 307 CB ASN A 39 5.285 15.391 10.423 1.00 20.97 C ATOM 308 CG ASN A 39 6.098 14.119 10.242 1.00 10.45 C ATOM 309 OD1 ASN A 39 5.592 13.024 10.481 1.00 9.86 O ATOM 310 ND2 ASN A 39 7.379 14.355 9.928 1.00 9.71 N ATOM 311 N THR A 40 2.856 13.677 12.341 1.00 23.24 N ATOM 312 CA THR A 40 2.622 13.030 13.624 1.00 16.38 C ATOM 313 C THR A 40 3.957 12.570 14.258 1.00 18.84 C ATOM 314 O THR A 40 3.904 12.421 15.478 1.00 15.42 O ATOM 315 CB THR A 40 1.585 11.813 13.677 1.00 11.14 C ATOM 316 OG1 THR A 40 2.262 10.710 12.999 1.00 9.62 O ATOM 317 CG2 THR A 40 0.250 12.188 13.084 1.00 3.48 C ATOM 318 N GLN A 41 5.074 12.352 13.564 1.00 11.25 N ATOM 319 CA GLN A 41 6.327 11.898 14.140 1.00 14.94 C ATOM 320 C GLN A 41 7.356 12.986 14.369 1.00 7.15 C ATOM 321 O GLN A 41 8.480 12.546 14.658 1.00 13.88 O ATOM 322 CB GLN A 41 7.021 10.844 13.308 1.00 3.55 C ATOM 323 CG GLN A 41 6.140 9.803 12.633 1.00 13.22 C ATOM 324 CD GLN A 41 6.996 8.676 12.048 1.00 20.02 C ATOM 325 OE1 GLN A 41 7.949 8.111 12.622 1.00 10.58 O ATOM 326 NE2 GLN A 41 6.738 8.407 10.769 1.00 12.22 N ATOM 327 N ALA A 42 7.039 14.226 14.206 1.00 20.52 N ATOM 328 CA ALA A 42 8.013 15.323 14.477 1.00 12.35 C ATOM 329 C ALA A 42 8.310 15.307 15.977 1.00 23.87 C ATOM 330 O ALA A 42 7.561 15.128 16.967 1.00 4.87 O ATOM 331 CB ALA A 42 7.402 16.587 13.909 1.00 10.67 C ATOM 332 N THR A 43 9.596 15.378 16.301 1.00 6.49 N ATOM 333 CA THR A 43 10.189 15.396 17.629 1.00 0.50 C ATOM 334 C THR A 43 11.116 16.594 17.623 1.00 5.55 C ATOM 335 O THR A 43 11.520 16.868 16.453 1.00 20.17 O ATOM 336 CB THR A 43 10.874 14.104 18.208 1.00 6.03 C ATOM 337 OG1 THR A 43 12.010 13.807 17.354 1.00 11.46 O ATOM 338 CG2 THR A 43 9.836 12.946 18.291 1.00 12.41 C ATOM 339 N ASN A 44 11.341 17.226 18.753 1.00 23.33 N ATOM 340 CA ASN A 44 12.265 18.389 18.815 1.00 12.58 C ATOM 341 C ASN A 44 12.798 18.522 20.249 1.00 2.60 C ATOM 342 O ASN A 44 12.042 18.574 21.241 1.00 3.00 O ATOM 343 CB ASN A 44 11.673 19.703 18.304 1.00 35.04 C ATOM 344 CG ASN A 44 11.391 19.801 16.813 1.00 78.14 C ATOM 345 OD1 ASN A 44 12.238 19.772 15.887 1.00 31.79 O ATOM 346 ND2 ASN A 44 10.080 19.924 16.544 1.00 30.58 N ATOM 347 N ARG A 45 14.128 18.517 20.322 1.00 17.47 N ATOM 348 CA ARG A 45 14.744 18.660 21.642 1.00 14.64 C ATOM 349 C ARG A 45 14.946 20.133 22.013 1.00 35.84 C ATOM 350 O ARG A 45 15.450 20.929 21.201 1.00 14.31 O ATOM 351 CB ARG A 45 16.087 17.935 21.806 1.00 37.65 C ATOM 352 CG ARG A 45 16.518 17.900 23.293 1.00 9.52 C ATOM 353 CD ARG A 45 16.638 16.509 23.821 1.00 39.28 C ATOM 354 NE ARG A 45 17.881 16.307 24.548 1.00 67.00 N ATOM 355 CZ ARG A 45 18.156 15.719 25.710 1.00 53.81 C ATOM 356 NH1 ARG A 45 17.333 15.089 26.549 1.00 50.95 N ATOM 357 NH2 ARG A 45 19.454 15.807 26.092 1.00 78.11 N ATOM 358 N ASN A 46 14.570 20.444 23.249 1.00 18.00 N ATOM 359 CA ASN A 46 14.719 21.770 23.837 1.00 20.94 C ATOM 360 C ASN A 46 16.013 21.812 24.677 1.00 13.72 C ATOM 361 O ASN A 46 16.610 20.799 25.091 1.00 15.12 O ATOM 362 CB ASN A 46 13.529 22.189 24.731 1.00 8.06 C ATOM 363 CG ASN A 46 12.270 21.999 23.895 1.00 16.29 C ATOM 364 OD1 ASN A 46 11.357 21.229 24.176 1.00 18.29 O ATOM 365 ND2 ASN A 46 12.254 22.727 22.787 1.00 22.54 N ATOM 366 N THR A 47 16.321 23.078 24.948 1.00 34.78 N ATOM 367 CA THR A 47 17.482 23.496 25.719 1.00 25.60 C ATOM 368 C THR A 47 17.481 22.854 27.105 1.00 68.25 C ATOM 369 O THR A 47 18.530 22.285 27.444 1.00 21.85 O ATOM 370 CB THR A 47 17.727 25.047 25.841 1.00 23.74 C ATOM 371 OG1 THR A 47 16.464 25.751 25.709 1.00 55.35 O ATOM 372 CG2 THR A 47 18.732 25.495 24.779 1.00 44.74 C ATOM 373 N ASP A 48 16.332 22.965 27.744 1.00 14.29 N ATOM 374 CA ASP A 48 16.151 22.419 29.096 1.00 15.30 C ATOM 375 C ASP A 48 16.271 20.890 29.131 1.00 8.27 C ATOM 376 O ASP A 48 16.188 20.368 30.275 1.00 28.79 O ATOM 377 CB ASP A 48 14.898 22.930 29.790 1.00 30.64 C ATOM 378 CG ASP A 48 13.581 22.440 29.192 1.00 1.82 C ATOM 379 OD1 ASP A 48 13.656 21.971 28.073 1.00 17.35 O ATOM 380 OD2 ASP A 48 12.665 22.585 30.013 1.00 30.86 O ATOM 381 N GLY A 49 16.481 20.276 27.986 1.00 21.88 N ATOM 382 CA GLY A 49 16.616 18.837 27.901 1.00 7.26 C ATOM 383 C GLY A 49 15.284 18.141 27.618 1.00 41.57 C ATOM 384 O GLY A 49 15.344 16.918 27.366 1.00 16.74 O ATOM 385 N SER A 50 14.159 18.814 27.683 1.00 14.15 N ATOM 386 CA SER A 50 12.833 18.218 27.455 1.00 28.63 C ATOM 387 C SER A 50 12.628 18.031 25.947 1.00 19.87 C ATOM 388 O SER A 50 13.498 18.537 25.221 1.00 5.83 O ATOM 389 CB SER A 50 11.777 19.061 28.159 1.00 7.24 C ATOM 390 OG SER A 50 11.619 20.221 27.303 1.00 2.34 O ATOM 391 N THR A 51 11.601 17.300 25.497 1.00 9.45 N ATOM 392 CA THR A 51 11.398 17.081 24.033 1.00 4.42 C ATOM 393 C THR A 51 9.953 17.374 23.665 1.00 15.00 C ATOM 394 O THR A 51 9.049 17.231 24.499 1.00 9.16 O ATOM 395 CB THR A 51 11.927 15.690 23.547 1.00 12.78 C ATOM 396 OG1 THR A 51 13.382 15.649 23.880 1.00 12.96 O ATOM 397 CG2 THR A 51 11.897 15.319 22.082 1.00 6.89 C ATOM 398 N ASP A 52 9.710 17.878 22.468 1.00 2.69 N ATOM 399 CA ASP A 52 8.378 18.234 21.915 1.00 5.10 C ATOM 400 C ASP A 52 7.945 17.065 21.042 1.00 31.31 C ATOM 401 O ASP A 52 8.771 16.614 20.262 1.00 7.28 O ATOM 402 CB ASP A 52 8.354 19.527 21.089 1.00 1.70 C ATOM 403 CG ASP A 52 8.580 20.579 22.208 1.00 10.88 C ATOM 404 OD1 ASP A 52 8.221 20.618 23.369 1.00 20.94 O ATOM 405 OD2 ASP A 52 9.313 21.489 21.872 1.00 24.47 O ATOM 406 N TYR A 53 6.748 16.549 21.153 1.00 11.58 N ATOM 407 CA TYR A 53 6.406 15.365 20.406 1.00 7.56 C ATOM 408 C TYR A 53 5.065 15.430 19.702 1.00 20.49 C ATOM 409 O TYR A 53 4.120 15.818 20.376 1.00 8.64 O ATOM 410 CB TYR A 53 6.264 14.218 21.449 1.00 4.76 C ATOM 411 CG TYR A 53 7.475 13.744 22.195 1.00 12.38 C ATOM 412 CD1 TYR A 53 7.896 14.329 23.387 1.00 18.37 C ATOM 413 CD2 TYR A 53 8.217 12.645 21.695 1.00 18.37 C ATOM 414 CE1 TYR A 53 9.051 13.908 24.043 1.00 19.61 C ATOM 415 CE2 TYR A 53 9.347 12.169 22.358 1.00 14.83 C ATOM 416 CZ TYR A 53 9.755 12.825 23.515 1.00 34.22 C ATOM 417 OH TYR A 53 10.859 12.403 24.193 1.00 24.22 O ATOM 418 N GLY A 54 5.117 14.998 18.459 1.00 12.97 N ATOM 419 CA GLY A 54 3.947 14.900 17.622 1.00 5.31 C ATOM 420 C GLY A 54 3.413 16.101 16.895 1.00 1.88 C ATOM 421 O GLY A 54 4.085 17.137 16.781 1.00 11.09 O ATOM 422 N ILE A 55 2.210 15.873 16.370 1.00 14.76 N ATOM 423 CA ILE A 55 1.399 16.846 15.582 1.00 12.85 C ATOM 424 C ILE A 55 1.339 18.197 16.252 1.00 5.24 C ATOM 425 O ILE A 55 1.487 19.195 15.542 1.00 7.79 O ATOM 426 CB ILE A 55 0.019 16.195 15.174 1.00 29.24 C ATOM 427 CG1 ILE A 55 -0.549 16.952 13.957 1.00 22.63 C ATOM 428 CG2 ILE A 55 -1.004 15.992 16.344 1.00 4.26 C ATOM 429 CD1 ILE A 55 -0.311 16.405 12.523 1.00 4.91 C ATOM 430 N LEU A 56 1.197 18.314 17.554 1.00 7.17 N ATOM 431 CA LEU A 56 1.104 19.577 18.283 1.00 26.99 C ATOM 432 C LEU A 56 2.235 19.828 19.277 1.00 22.57 C ATOM 433 O LEU A 56 2.147 20.705 20.145 1.00 11.74 O ATOM 434 CB LEU A 56 -0.287 19.666 18.960 1.00 15.19 C ATOM 435 CG LEU A 56 -1.474 19.885 17.991 1.00 9.53 C ATOM 436 CD1 LEU A 56 -2.728 19.445 18.726 1.00 5.31 C ATOM 437 CD2 LEU A 56 -1.526 21.356 17.593 1.00 12.42 C ATOM 438 N GLN A 57 3.289 19.068 19.094 1.00 17.00 N ATOM 439 CA GLN A 57 4.494 19.205 19.886 1.00 13.94 C ATOM 440 C GLN A 57 4.364 19.392 21.386 1.00 16.02 C ATOM 441 O GLN A 57 4.874 20.439 21.810 1.00 9.68 O ATOM 442 CB GLN A 57 5.218 20.466 19.347 1.00 3.86 C ATOM 443 CG GLN A 57 5.708 20.167 17.947 1.00 4.71 C ATOM 444 CD GLN A 57 6.968 19.331 17.860 1.00 16.64 C ATOM 445 OE1 GLN A 57 8.156 19.598 18.048 1.00 12.01 O ATOM 446 NE2 GLN A 57 6.739 18.084 17.493 1.00 4.70 N ATOM 447 N ILE A 58 3.737 18.429 22.003 1.00 5.01 N ATOM 448 CA ILE A 58 3.535 18.339 23.467 1.00 7.62 C ATOM 449 C ILE A 58 4.864 17.992 24.132 1.00 11.63 C ATOM 450 O ILE A 58 5.663 17.093 23.757 1.00 4.18 O ATOM 451 CB ILE A 58 2.306 17.396 23.694 1.00 11.96 C ATOM 452 CG1 ILE A 58 1.037 18.032 23.006 1.00 13.41 C ATOM 453 CG2 ILE A 58 2.057 17.000 25.153 1.00 0.50 C ATOM 454 CD1 ILE A 58 -0.274 17.226 23.309 1.00 5.78 C ATOM 455 N ASN A 59 5.123 18.760 25.197 1.00 4.39 N ATOM 456 CA ASN A 59 6.386 18.744 25.923 1.00 17.77 C ATOM 457 C ASN A 59 6.363 17.719 27.047 1.00 17.71 C ATOM 458 O ASN A 59 5.320 17.729 27.685 1.00 10.02 O ATOM 459 CB ASN A 59 6.713 20.199 26.364 1.00 25.03 C ATOM 460 CG ASN A 59 8.101 20.345 26.986 1.00 22.44 C ATOM 461 OD1 ASN A 59 8.318 20.259 28.213 1.00 23.01 O ATOM 462 ND2 ASN A 59 9.103 20.547 26.111 1.00 32.32 N ATOM 463 N SER A 60 7.435 16.965 27.239 1.00 14.97 N ATOM 464 CA SER A 60 7.773 15.938 28.164 1.00 7.42 C ATOM 465 C SER A 60 7.982 16.422 29.619 1.00 14.84 C ATOM 466 O SER A 60 7.897 15.560 30.533 1.00 45.31 O ATOM 467 CB SER A 60 9.046 15.153 27.835 1.00 2.83 C ATOM 468 OG SER A 60 10.269 15.760 27.510 1.00 4.04 O ATOM 469 N ARG A 61 8.228 17.712 29.786 1.00 14.86 N ATOM 470 CA ARG A 61 8.477 18.263 31.142 1.00 27.32 C ATOM 471 C ARG A 61 7.302 18.213 32.100 1.00 6.56 C ATOM 472 O ARG A 61 7.420 18.029 33.345 1.00 16.77 O ATOM 473 CB ARG A 61 9.065 19.688 31.003 1.00 27.28 C ATOM 474 CG ARG A 61 9.074 20.361 32.359 1.00 71.52 C ATOM 475 CD ARG A 61 10.263 21.196 32.677 1.00 32.80 C ATOM 476 NE ARG A 61 10.003 21.767 33.983 1.00101.45 N ATOM 477 CZ ARG A 61 10.616 22.540 34.849 1.00120.85 C ATOM 478 NH1 ARG A 61 11.754 23.211 34.628 1.00 67.93 N ATOM 479 NH2 ARG A 61 10.050 22.665 36.062 1.00 71.26 N ATOM 480 N TRP A 62 6.124 18.371 31.512 1.00 9.11 N ATOM 481 CA TRP A 62 4.813 18.344 32.122 1.00 12.56 C ATOM 482 C TRP A 62 3.743 17.345 31.682 1.00 5.50 C ATOM 483 O TRP A 62 2.844 16.795 32.402 1.00 13.82 O ATOM 484 CB TRP A 62 4.173 19.723 31.783 1.00 13.38 C ATOM 485 CG TRP A 62 5.020 20.905 32.129 1.00 81.96 C ATOM 486 CD1 TRP A 62 5.690 21.799 31.322 1.00 29.06 C ATOM 487 CD2 TRP A 62 5.288 21.328 33.485 1.00 17.41 C ATOM 488 NE1 TRP A 62 6.371 22.730 32.077 1.00 41.03 N ATOM 489 CE2 TRP A 62 6.114 22.475 33.406 1.00 81.96 C ATOM 490 CE3 TRP A 62 4.851 20.847 34.718 1.00 34.58 C ATOM 491 CZ2 TRP A 62 6.535 23.143 34.555 1.00 27.28 C ATOM 492 CZ3 TRP A 62 5.276 21.517 35.840 1.00 48.23 C ATOM 493 CH2 TRP A 62 6.107 22.624 35.761 1.00 53.55 C ATOM 494 N TRP A 63 3.750 17.079 30.364 1.00 17.49 N ATOM 495 CA TRP A 63 2.577 16.319 29.868 1.00 35.63 C ATOM 496 C TRP A 63 2.748 14.866 29.583 1.00 7.54 C ATOM 497 O TRP A 63 1.711 14.199 29.622 1.00 15.39 O ATOM 498 CB TRP A 63 1.951 17.142 28.699 1.00 9.38 C ATOM 499 CG TRP A 63 1.763 18.623 28.959 1.00 7.91 C ATOM 500 CD1 TRP A 63 2.572 19.621 28.488 1.00 6.10 C ATOM 501 CD2 TRP A 63 0.784 19.291 29.781 1.00 6.35 C ATOM 502 NE1 TRP A 63 2.138 20.821 28.945 1.00 12.25 N ATOM 503 CE2 TRP A 63 1.034 20.667 29.731 1.00 34.62 C ATOM 504 CE3 TRP A 63 -0.337 18.828 30.488 1.00 17.23 C ATOM 505 CZ2 TRP A 63 0.228 21.610 30.381 1.00 24.79 C ATOM 506 CZ3 TRP A 63 -1.130 19.740 31.145 1.00 16.19 C ATOM 507 CH2 TRP A 63 -0.847 21.117 31.095 1.00 10.27 C ATOM 508 N CYS A 64 3.961 14.466 29.265 1.00 15.79 N ATOM 509 CA CYS A 64 4.146 13.047 28.908 1.00 30.52 C ATOM 510 C CYS A 64 5.452 12.568 29.513 1.00 19.03 C ATOM 511 O CYS A 64 6.323 13.344 29.910 1.00 18.32 O ATOM 512 CB CYS A 64 4.022 12.867 27.392 1.00 9.48 C ATOM 513 SG CYS A 64 5.288 13.730 26.403 1.00 14.67 S ATOM 514 N ASN A 65 5.507 11.252 29.561 1.00 10.19 N ATOM 515 CA ASN A 65 6.692 10.561 30.072 1.00 15.77 C ATOM 516 C ASN A 65 7.541 9.987 28.923 1.00 5.69 C ATOM 517 O ASN A 65 7.040 9.139 28.114 1.00 8.28 O ATOM 518 CB ASN A 65 6.282 9.501 31.127 1.00 20.75 C ATOM 519 CG ASN A 65 7.625 9.008 31.712 1.00 14.57 C ATOM 520 OD1 ASN A 65 8.107 7.987 31.208 1.00 30.65 O ATOM 521 ND2 ASN A 65 8.122 9.801 32.666 1.00 72.60 N ATOM 522 N ASP A 66 8.829 10.466 28.901 1.00 15.36 N ATOM 523 CA ASP A 66 9.756 9.956 27.866 1.00 17.65 C ATOM 524 C ASP A 66 10.967 9.205 28.474 1.00 0.50 C ATOM 525 O ASP A 66 11.796 8.745 27.715 1.00 9.78 O ATOM 526 CB ASP A 66 10.127 10.991 26.796 1.00 4.66 C ATOM 527 CG ASP A 66 10.950 12.107 27.330 1.00 0.54 C ATOM 528 OD1 ASP A 66 11.236 12.320 28.466 1.00 2.46 O ATOM 529 OD2 ASP A 66 11.231 12.933 26.423 1.00 8.01 O ATOM 530 N GLY A 67 11.029 9.009 29.755 1.00 15.92 N ATOM 531 CA GLY A 67 12.128 8.289 30.412 1.00 19.49 C ATOM 532 C GLY A 67 13.397 9.111 30.563 1.00 17.15 C ATOM 533 O GLY A 67 14.323 8.700 31.276 1.00 18.26 O ATOM 534 N ARG A 68 13.420 10.316 29.972 1.00 24.89 N ATOM 535 CA ARG A 68 14.626 11.150 30.077 1.00 8.28 C ATOM 536 C ARG A 68 14.466 12.631 30.388 1.00 33.19 C ATOM 537 O ARG A 68 15.321 13.480 30.047 1.00 27.90 O ATOM 538 CB ARG A 68 15.431 10.803 28.784 1.00 14.27 C ATOM 539 CG ARG A 68 14.866 10.882 27.385 1.00 19.02 C ATOM 540 CD ARG A 68 15.489 11.967 26.604 1.00 11.98 C ATOM 541 NE ARG A 68 14.876 12.270 25.324 1.00 33.16 N ATOM 542 CZ ARG A 68 15.639 12.504 24.225 1.00 25.31 C ATOM 543 NH1 ARG A 68 16.586 11.590 23.968 1.00 42.52 N ATOM 544 NH2 ARG A 68 15.529 13.529 23.363 1.00 11.25 N ATOM 545 N THR A 69 13.461 13.068 31.126 1.00 16.27 N ATOM 546 CA THR A 69 13.175 14.448 31.555 1.00 25.48 C ATOM 547 C THR A 69 13.028 14.434 33.092 1.00 17.49 C ATOM 548 O THR A 69 11.986 14.148 33.748 1.00 16.31 O ATOM 549 CB THR A 69 11.994 15.130 30.769 1.00 16.43 C ATOM 550 OG1 THR A 69 12.087 14.712 29.373 1.00 10.91 O ATOM 551 CG2 THR A 69 11.986 16.689 30.868 1.00 17.28 C ATOM 552 N PRO A 70 14.166 14.696 33.744 1.00 34.19 N ATOM 553 CA PRO A 70 14.253 14.669 35.231 1.00 40.70 C ATOM 554 C PRO A 70 13.332 15.678 35.893 1.00 79.78 C ATOM 555 O PRO A 70 13.351 16.901 35.625 1.00 35.01 O ATOM 556 CB PRO A 70 15.754 14.799 35.472 1.00105.44 C ATOM 557 CG PRO A 70 16.404 14.377 34.169 1.00116.97 C ATOM 558 CD PRO A 70 15.473 15.024 33.119 1.00 27.68 C ATOM 559 N GLY A 71 12.458 15.191 36.783 1.00 52.79 N ATOM 560 CA GLY A 71 11.475 16.072 37.466 1.00 68.10 C ATOM 561 C GLY A 71 10.503 16.702 36.455 1.00 38.73 C ATOM 562 O GLY A 71 10.220 17.905 36.469 1.00 72.22 O ATOM 563 N SER A 72 10.017 15.878 35.558 1.00 52.29 N ATOM 564 CA SER A 72 9.052 15.911 34.471 1.00 87.68 C ATOM 565 C SER A 72 7.750 15.568 35.224 1.00 16.33 C ATOM 566 O SER A 72 7.888 14.771 36.190 1.00 19.96 O ATOM 567 CB SER A 72 9.307 14.921 33.317 1.00 7.59 C ATOM 568 OG SER A 72 8.117 14.605 32.525 1.00 45.67 O ATOM 569 N ARG A 73 6.603 16.047 34.786 1.00 36.31 N ATOM 570 CA ARG A 73 5.369 15.692 35.509 1.00 49.69 C ATOM 571 C ARG A 73 4.416 14.725 34.823 1.00 23.54 C ATOM 572 O ARG A 73 3.507 14.309 35.604 1.00 91.96 O ATOM 573 CB ARG A 73 4.517 16.901 35.973 1.00 19.77 C ATOM 574 CG ARG A 73 5.313 18.166 36.275 1.00 82.32 C ATOM 575 CD ARG A 73 4.722 18.927 37.417 1.00141.96 C ATOM 576 NE ARG A 73 5.674 19.780 38.132 1.00141.96 N ATOM 577 CZ ARG A 73 5.462 20.426 39.288 1.00140.28 C ATOM 578 NH1 ARG A 73 4.705 19.999 40.302 1.00117.50 N ATOM 579 NH2 ARG A 73 6.036 21.622 39.487 1.00122.00 N ATOM 580 N ASN A 74 4.419 14.353 33.599 1.00 11.30 N ATOM 581 CA ASN A 74 3.458 13.435 32.968 1.00 32.23 C ATOM 582 C ASN A 74 1.975 13.717 33.229 1.00 13.07 C ATOM 583 O ASN A 74 1.188 12.769 33.458 1.00 11.55 O ATOM 584 CB ASN A 74 3.728 11.966 33.303 1.00 10.08 C ATOM 585 CG ASN A 74 3.012 10.999 32.378 1.00 9.57 C ATOM 586 OD1 ASN A 74 2.688 11.286 31.201 1.00 17.20 O ATOM 587 ND2 ASN A 74 2.744 9.760 32.826 1.00 11.95 N ATOM 588 N LEU A 75 1.515 14.949 33.050 1.00 42.92 N ATOM 589 CA LEU A 75 0.110 15.312 33.275 1.00 49.10 C ATOM 590 C LEU A 75 -0.972 14.630 32.460 1.00 13.41 C ATOM 591 O LEU A 75 -2.126 14.510 32.944 1.00 18.44 O ATOM 592 CB LEU A 75 0.026 16.851 33.087 1.00 41.83 C ATOM 593 CG LEU A 75 -0.149 17.646 34.353 1.00 14.91 C ATOM 594 CD1 LEU A 75 0.117 16.793 35.589 1.00 15.95 C ATOM 595 CD2 LEU A 75 0.809 18.838 34.293 1.00 15.06 C ATOM 596 N CYS A 76 -0.689 14.273 31.191 1.00 21.72 N ATOM 597 CA CYS A 76 -1.676 13.626 30.332 1.00 20.39 C ATOM 598 C CYS A 76 -1.625 12.109 30.588 1.00 47.77 C ATOM 599 O CYS A 76 -2.396 11.429 29.890 1.00 18.49 O ATOM 600 CB CYS A 76 -1.524 13.971 28.852 1.00 13.34 C ATOM 601 SG CYS A 76 -1.731 15.766 28.498 1.00 17.64 S ATOM 602 N ASN A 77 -0.838 11.602 31.520 1.00 9.01 N ATOM 603 CA ASN A 77 -0.590 10.198 31.888 1.00 24.64 C ATOM 604 C ASN A 77 -0.278 9.325 30.649 1.00 25.20 C ATOM 605 O ASN A 77 -0.830 8.236 30.483 1.00 25.26 O ATOM 606 CB ASN A 77 -1.587 9.372 32.712 1.00 19.12 C ATOM 607 CG ASN A 77 -1.481 9.671 34.206 1.00106.10 C ATOM 608 OD1 ASN A 77 -2.213 10.545 34.730 1.00 49.92 O ATOM 609 ND2 ASN A 77 -0.532 8.906 34.761 1.00 72.06 N ATOM 610 N ILE A 78 0.680 9.756 29.860 1.00 16.35 N ATOM 611 CA ILE A 78 0.994 8.980 28.663 1.00 26.73 C ATOM 612 C ILE A 78 2.467 8.916 28.437 1.00 19.84 C ATOM 613 O ILE A 78 3.146 9.892 28.812 1.00 19.09 O ATOM 614 CB ILE A 78 0.141 9.840 27.627 1.00 7.24 C ATOM 615 CG1 ILE A 78 -0.474 8.977 26.516 1.00 23.14 C ATOM 616 CG2 ILE A 78 0.821 11.127 27.014 1.00 13.52 C ATOM 617 CD1 ILE A 78 -1.130 7.645 26.920 1.00 50.32 C ATOM 618 N PRO A 79 2.902 7.842 27.798 1.00 14.25 N ATOM 619 CA PRO A 79 4.327 7.798 27.337 1.00 22.44 C ATOM 620 C PRO A 79 4.352 8.729 26.122 1.00 17.57 C ATOM 621 O PRO A 79 3.469 8.754 25.195 1.00 16.93 O ATOM 622 CB PRO A 79 4.557 6.345 27.051 1.00 19.60 C ATOM 623 CG PRO A 79 3.191 5.893 26.576 1.00 39.06 C ATOM 624 CD PRO A 79 2.139 6.676 27.358 1.00 12.95 C ATOM 625 N CYS A 80 5.318 9.618 25.997 1.00 20.42 N ATOM 626 CA CYS A 80 5.356 10.550 24.859 1.00 8.18 C ATOM 627 C CYS A 80 5.344 9.833 23.502 1.00 11.79 C ATOM 628 O CYS A 80 5.022 10.527 22.492 1.00 12.89 O ATOM 629 CB CYS A 80 6.499 11.583 24.900 1.00 0.50 C ATOM 630 SG CYS A 80 6.810 12.381 26.513 1.00 11.34 S ATOM 631 N SER A 81 5.699 8.555 23.365 1.00 15.38 N ATOM 632 CA SER A 81 5.674 7.844 22.062 1.00 20.88 C ATOM 633 C SER A 81 4.243 7.727 21.494 1.00 14.75 C ATOM 634 O SER A 81 4.007 7.755 20.267 1.00 7.80 O ATOM 635 CB SER A 81 6.442 6.537 22.144 1.00 5.93 C ATOM 636 OG SER A 81 6.036 5.668 23.141 1.00 10.64 O ATOM 637 N ALA A 82 3.199 7.640 22.290 1.00 11.17 N ATOM 638 CA ALA A 82 1.805 7.580 21.946 1.00 19.56 C ATOM 639 C ALA A 82 1.367 8.860 21.220 1.00 39.37 C ATOM 640 O ALA A 82 0.287 8.867 20.569 1.00 21.77 O ATOM 641 CB ALA A 82 0.899 7.449 23.184 1.00 18.60 C ATOM 642 N LEU A 83 2.158 9.910 21.367 1.00 10.93 N ATOM 643 CA LEU A 83 1.835 11.199 20.679 1.00 5.79 C ATOM 644 C LEU A 83 2.269 11.307 19.204 1.00 12.46 C ATOM 645 O LEU A 83 1.888 12.168 18.382 1.00 38.08 O ATOM 646 CB LEU A 83 2.374 12.222 21.689 1.00 10.78 C ATOM 647 CG LEU A 83 1.767 12.599 23.009 1.00 19.15 C ATOM 648 CD1 LEU A 83 2.534 13.798 23.613 1.00 10.00 C ATOM 649 CD2 LEU A 83 0.274 12.905 22.916 1.00 14.44 C ATOM 650 N LEU A 84 3.140 10.398 18.741 1.00 19.90 N ATOM 651 CA LEU A 84 3.736 10.241 17.437 1.00 17.97 C ATOM 652 C LEU A 84 3.020 9.284 16.489 1.00 20.12 C ATOM 653 O LEU A 84 3.456 9.081 15.340 1.00 19.48 O ATOM 654 CB LEU A 84 5.168 9.658 17.561 1.00 18.56 C ATOM 655 CG LEU A 84 6.009 10.431 18.570 1.00 12.26 C ATOM 656 CD1 LEU A 84 7.358 9.811 18.535 1.00 21.21 C ATOM 657 CD2 LEU A 84 5.876 11.877 18.118 1.00 4.46 C ATOM 658 N SER A 85 1.972 8.745 17.023 1.00 11.90 N ATOM 659 CA SER A 85 1.052 7.835 16.397 1.00 2.89 C ATOM 660 C SER A 85 0.224 8.484 15.290 1.00 11.47 C ATOM 661 O SER A 85 -0.176 9.655 15.184 1.00 11.82 O ATOM 662 CB SER A 85 0.301 7.309 17.611 1.00 16.91 C ATOM 663 OG SER A 85 -0.939 6.873 17.140 1.00 28.51 O ATOM 664 N SER A 86 -0.125 7.664 14.311 1.00 15.54 N ATOM 665 CA SER A 86 -0.941 7.912 13.114 1.00 30.80 C ATOM 666 C SER A 86 -2.327 8.413 13.495 1.00 17.77 C ATOM 667 O SER A 86 -2.928 9.199 12.767 1.00 29.75 O ATOM 668 CB SER A 86 -1.117 6.672 12.224 1.00 48.24 C ATOM 669 OG SER A 86 0.139 6.222 11.739 1.00 73.27 O ATOM 670 N ASP A 87 -2.853 7.918 14.590 1.00 9.14 N ATOM 671 CA ASP A 87 -4.130 8.223 15.224 1.00 10.14 C ATOM 672 C ASP A 87 -3.874 9.326 16.259 1.00 7.02 C ATOM 673 O ASP A 87 -3.282 9.111 17.332 1.00 23.70 O ATOM 674 CB ASP A 87 -4.648 6.919 15.842 1.00 23.10 C ATOM 675 CG ASP A 87 -5.825 7.162 16.776 1.00 45.39 C ATOM 676 OD1 ASP A 87 -6.223 8.332 16.928 1.00 22.99 O ATOM 677 OD2 ASP A 87 -6.340 6.179 17.348 1.00 76.76 O ATOM 678 N ILE A 88 -4.289 10.536 16.004 1.00 17.54 N ATOM 679 CA ILE A 88 -4.073 11.718 16.853 1.00 20.79 C ATOM 680 C ILE A 88 -4.960 11.838 18.082 1.00 20.03 C ATOM 681 O ILE A 88 -4.967 12.909 18.797 1.00 12.66 O ATOM 682 CB ILE A 88 -4.173 12.977 15.902 1.00 36.71 C ATOM 683 CG1 ILE A 88 -5.650 13.106 15.437 1.00 20.72 C ATOM 684 CG2 ILE A 88 -3.143 12.889 14.744 1.00 17.74 C ATOM 685 CD1 ILE A 88 -6.103 14.530 15.017 1.00 19.57 C ATOM 686 N THR A 89 -5.642 10.710 18.323 1.00 15.78 N ATOM 687 CA THR A 89 -6.525 10.666 19.512 1.00 20.16 C ATOM 688 C THR A 89 -5.715 11.125 20.735 1.00 21.07 C ATOM 689 O THR A 89 -6.098 12.213 21.235 1.00 11.06 O ATOM 690 CB THR A 89 -7.393 9.348 19.712 1.00 0.50 C ATOM 691 OG1 THR A 89 -8.146 9.292 18.503 1.00 17.05 O ATOM 692 CG2 THR A 89 -8.302 9.506 20.926 1.00 6.72 C ATOM 693 N ALA A 90 -4.695 10.427 21.212 1.00 37.54 N ATOM 694 CA ALA A 90 -3.905 10.872 22.379 1.00 52.05 C ATOM 695 C ALA A 90 -3.421 12.319 22.215 1.00 12.39 C ATOM 696 O ALA A 90 -3.455 12.969 23.298 1.00 9.14 O ATOM 697 CB ALA A 90 -2.751 9.937 22.799 1.00 14.10 C ATOM 698 N SER A 91 -3.022 12.864 21.084 1.00 32.93 N ATOM 699 CA SER A 91 -2.570 14.261 20.924 1.00 10.03 C ATOM 700 C SER A 91 -3.799 15.170 21.186 1.00 4.48 C ATOM 701 O SER A 91 -3.661 16.098 22.017 1.00 17.52 O ATOM 702 CB SER A 91 -1.963 14.729 19.610 1.00 9.28 C ATOM 703 OG SER A 91 -0.776 14.175 19.107 1.00 31.01 O ATOM 704 N VAL A 92 -4.957 14.961 20.598 1.00 18.92 N ATOM 705 CA VAL A 92 -6.073 15.900 20.882 1.00 16.71 C ATOM 706 C VAL A 92 -6.484 16.094 22.324 1.00 22.69 C ATOM 707 O VAL A 92 -6.798 17.178 22.826 1.00 15.15 O ATOM 708 CB VAL A 92 -7.263 15.433 20.000 1.00 22.56 C ATOM 709 CG1 VAL A 92 -8.650 15.944 20.411 1.00 10.14 C ATOM 710 CG2 VAL A 92 -6.845 15.750 18.597 1.00 0.79 C ATOM 711 N ASN A 93 -6.540 14.996 23.029 1.00 13.06 N ATOM 712 CA ASN A 93 -6.926 14.856 24.391 1.00 16.76 C ATOM 713 C ASN A 93 -5.959 15.549 25.349 1.00 17.77 C ATOM 714 O ASN A 93 -6.415 16.081 26.355 1.00 15.27 O ATOM 715 CB ASN A 93 -6.804 13.404 24.867 1.00 54.31 C ATOM 716 CG ASN A 93 -7.909 12.468 24.442 1.00 78.14 C ATOM 717 OD1 ASN A 93 -7.615 11.271 24.681 1.00 38.51 O ATOM 718 ND2 ASN A 93 -8.959 13.093 23.888 1.00 28.37 N ATOM 719 N CYS A 94 -4.711 15.276 25.009 1.00 4.26 N ATOM 720 CA CYS A 94 -3.609 15.800 25.813 1.00 11.82 C ATOM 721 C CYS A 94 -3.650 17.320 25.547 1.00 17.02 C ATOM 722 O CYS A 94 -3.525 18.030 26.539 1.00 9.86 O ATOM 723 CB CYS A 94 -2.265 15.233 25.509 1.00 9.19 C ATOM 724 SG CYS A 94 -1.015 15.950 26.630 1.00 17.87 S ATOM 725 N ALA A 95 -3.830 17.756 24.328 1.00 17.70 N ATOM 726 CA ALA A 95 -3.945 19.197 24.006 1.00 9.51 C ATOM 727 C ALA A 95 -5.146 19.827 24.730 1.00 15.87 C ATOM 728 O ALA A 95 -5.111 21.011 25.151 1.00 12.53 O ATOM 729 CB ALA A 95 -4.107 19.369 22.535 1.00 8.85 C ATOM 730 N LYS A 96 -6.223 19.069 24.922 1.00 12.56 N ATOM 731 CA LYS A 96 -7.394 19.637 25.634 1.00 29.51 C ATOM 732 C LYS A 96 -7.124 20.008 27.084 1.00 24.31 C ATOM 733 O LYS A 96 -7.683 21.035 27.502 1.00 9.40 O ATOM 734 CB LYS A 96 -8.557 18.706 25.559 1.00 31.99 C ATOM 735 CG LYS A 96 -9.050 18.709 24.106 1.00 3.46 C ATOM 736 CD LYS A 96 -10.155 17.616 24.228 1.00 10.67 C ATOM 737 CE LYS A 96 -10.988 17.853 22.951 1.00 34.31 C ATOM 738 NZ LYS A 96 -12.012 16.818 22.932 1.00 11.70 N ATOM 739 N LYS A 97 -6.324 19.251 27.797 1.00 20.65 N ATOM 740 CA LYS A 97 -5.866 19.536 29.163 1.00 21.79 C ATOM 741 C LYS A 97 -4.859 20.728 29.121 1.00 10.91 C ATOM 742 O LYS A 97 -4.845 21.681 29.924 1.00 10.34 O ATOM 743 CB LYS A 97 -5.255 18.300 29.824 1.00 17.66 C ATOM 744 CG LYS A 97 -5.794 16.995 29.222 1.00 34.64 C ATOM 745 CD LYS A 97 -6.093 15.985 30.332 1.00 34.16 C ATOM 746 CE LYS A 97 -5.098 16.305 31.472 1.00 36.84 C ATOM 747 NZ LYS A 97 -4.953 15.118 32.352 1.00 69.56 N ATOM 748 N ILE A 98 -4.020 20.849 28.106 1.00 17.34 N ATOM 749 CA ILE A 98 -3.091 21.935 27.924 1.00 15.18 C ATOM 750 C ILE A 98 -3.814 23.277 27.752 1.00 9.99 C ATOM 751 O ILE A 98 -3.366 24.197 28.482 1.00 13.49 O ATOM 752 CB ILE A 98 -2.101 21.728 26.723 1.00 22.66 C ATOM 753 CG1 ILE A 98 -1.455 20.353 26.897 1.00 11.47 C ATOM 754 CG2 ILE A 98 -0.994 22.821 26.514 1.00 22.57 C ATOM 755 CD1 ILE A 98 -0.626 19.970 25.625 1.00 16.10 C ATOM 756 N VAL A 99 -4.721 23.337 26.802 1.00 9.59 N ATOM 757 CA VAL A 99 -5.412 24.604 26.454 1.00 27.17 C ATOM 758 C VAL A 99 -6.271 25.126 27.601 1.00 44.40 C ATOM 759 O VAL A 99 -6.573 26.334 27.697 1.00 34.62 O ATOM 760 CB VAL A 99 -6.198 24.491 25.131 1.00 21.27 C ATOM 761 CG1 VAL A 99 -7.407 23.571 25.223 1.00 15.51 C ATOM 762 CG2 VAL A 99 -6.657 25.831 24.565 1.00 34.67 C ATOM 763 N SER A 100 -6.633 24.121 28.386 1.00 14.33 N ATOM 764 CA SER A 100 -7.458 24.370 29.565 1.00 12.78 C ATOM 765 C SER A 100 -6.707 24.959 30.753 1.00 37.39 C ATOM 766 O SER A 100 -7.276 25.510 31.713 1.00 27.02 O ATOM 767 CB SER A 100 -8.100 23.063 30.052 1.00 16.43 C ATOM 768 OG SER A 100 -9.339 22.975 29.345 1.00 31.56 O ATOM 769 N ASP A 101 -5.404 24.862 30.673 1.00 16.24 N ATOM 770 CA ASP A 101 -4.458 25.256 31.710 1.00 16.04 C ATOM 771 C ASP A 101 -4.665 26.700 32.140 1.00 25.56 C ATOM 772 O ASP A 101 -5.075 26.801 33.329 1.00141.57 O ATOM 773 CB ASP A 101 -2.998 24.880 31.396 1.00 56.96 C ATOM 774 CG ASP A 101 -2.247 24.397 32.636 1.00 24.78 C ATOM 775 OD1 ASP A 101 -2.814 23.593 33.421 1.00 89.01 O ATOM 776 OD2 ASP A 101 -1.071 24.755 32.872 1.00 85.77 O ATOM 777 N GLY A 102 -4.482 27.697 31.301 1.00 34.46 N ATOM 778 CA GLY A 102 -4.722 29.058 31.873 1.00 28.03 C ATOM 779 C GLY A 102 -4.340 30.118 30.869 1.00 14.54 C ATOM 780 O GLY A 102 -4.943 31.204 30.907 1.00 42.10 O ATOM 781 N ASN A 103 -3.380 29.710 30.035 1.00 49.14 N ATOM 782 CA ASN A 103 -2.802 30.526 28.958 1.00 68.43 C ATOM 783 C ASN A 103 -3.456 30.249 27.602 1.00 12.46 C ATOM 784 O ASN A 103 -2.906 30.722 26.580 1.00 23.71 O ATOM 785 CB ASN A 103 -1.261 30.334 28.951 1.00 10.61 C ATOM 786 CG ASN A 103 -0.730 30.361 30.384 1.00 99.21 C ATOM 787 OD1 ASN A 103 -0.174 29.420 30.982 1.00 68.66 O ATOM 788 ND2 ASN A 103 -0.957 31.545 30.971 1.00 44.49 N ATOM 789 N GLY A 104 -4.621 29.607 27.610 1.00 8.29 N ATOM 790 CA GLY A 104 -5.258 29.209 26.360 1.00 3.37 C ATOM 791 C GLY A 104 -4.147 28.557 25.514 1.00 10.53 C ATOM 792 O GLY A 104 -3.270 27.792 25.939 1.00 16.70 O ATOM 793 N MET A 105 -4.163 28.872 24.237 1.00 13.65 N ATOM 794 CA MET A 105 -3.290 28.392 23.167 1.00 13.88 C ATOM 795 C MET A 105 -1.936 29.088 23.160 1.00 17.31 C ATOM 796 O MET A 105 -1.098 28.708 22.314 1.00 10.22 O ATOM 797 CB MET A 105 -3.977 28.500 21.801 1.00 2.33 C ATOM 798 CG MET A 105 -4.894 27.316 21.542 1.00 25.96 C ATOM 799 SD MET A 105 -5.515 27.232 19.844 1.00 15.10 S ATOM 800 CE MET A 105 -4.140 26.388 19.026 1.00 8.60 C ATOM 801 N ASN A 106 -1.759 30.029 24.084 1.00 9.84 N ATOM 802 CA ASN A 106 -0.446 30.733 24.200 1.00 19.04 C ATOM 803 C ASN A 106 0.674 29.758 24.626 1.00 6.71 C ATOM 804 O ASN A 106 1.880 30.111 24.604 1.00 8.41 O ATOM 805 CB ASN A 106 -0.536 31.915 25.159 1.00 12.68 C ATOM 806 CG ASN A 106 -1.363 33.048 24.550 1.00 8.08 C ATOM 807 OD1 ASN A 106 -1.108 33.527 23.430 1.00 11.25 O ATOM 808 ND2 ASN A 106 -2.385 33.325 25.361 1.00 5.79 N ATOM 809 N ALA A 107 0.299 28.579 25.049 1.00 14.58 N ATOM 810 CA ALA A 107 1.035 27.401 25.462 1.00 27.42 C ATOM 811 C ALA A 107 1.906 26.881 24.306 1.00 0.50 C ATOM 812 O ALA A 107 2.949 26.223 24.516 1.00 16.87 O ATOM 813 CB ALA A 107 0.039 26.380 25.981 1.00 33.83 C ATOM 814 N TRP A 108 1.483 27.158 23.101 1.00 5.67 N ATOM 815 CA TRP A 108 2.202 26.836 21.837 1.00 8.80 C ATOM 816 C TRP A 108 2.814 28.156 21.255 1.00 2.53 C ATOM 817 O TRP A 108 2.113 29.027 20.727 1.00 20.21 O ATOM 818 CB TRP A 108 1.387 26.109 20.765 1.00 11.85 C ATOM 819 CG TRP A 108 0.997 24.698 21.066 1.00 16.97 C ATOM 820 CD1 TRP A 108 1.682 23.535 20.893 1.00 15.06 C ATOM 821 CD2 TRP A 108 -0.225 24.318 21.713 1.00 11.29 C ATOM 822 NE1 TRP A 108 0.937 22.448 21.319 1.00 10.45 N ATOM 823 CE2 TRP A 108 -0.223 22.907 21.848 1.00 8.67 C ATOM 824 CE3 TRP A 108 -1.336 25.053 22.164 1.00 37.04 C ATOM 825 CZ2 TRP A 108 -1.307 22.229 22.408 1.00 28.22 C ATOM 826 CZ3 TRP A 108 -2.415 24.385 22.731 1.00 20.10 C ATOM 827 CH2 TRP A 108 -2.412 22.977 22.826 1.00 18.96 C ATOM 828 N VAL A 109 4.110 28.281 21.386 1.00 19.91 N ATOM 829 CA VAL A 109 4.890 29.438 20.901 1.00 17.11 C ATOM 830 C VAL A 109 4.595 29.714 19.426 1.00 3.81 C ATOM 831 O VAL A 109 4.520 30.893 19.044 1.00 14.79 O ATOM 832 CB VAL A 109 6.407 29.326 21.273 1.00 24.21 C ATOM 833 CG1 VAL A 109 6.881 27.889 21.192 1.00 57.93 C ATOM 834 CG2 VAL A 109 7.332 30.240 20.473 1.00 11.98 C ATOM 835 N ALA A 110 4.525 28.678 18.615 1.00 13.09 N ATOM 836 CA ALA A 110 4.181 28.701 17.199 1.00 16.92 C ATOM 837 C ALA A 110 2.756 29.290 17.028 1.00 5.53 C ATOM 838 O ALA A 110 2.790 30.047 16.034 1.00 23.23 O ATOM 839 CB ALA A 110 4.154 27.342 16.471 1.00 13.47 C ATOM 840 N TRP A 111 1.801 28.993 17.891 1.00 0.50 N ATOM 841 CA TRP A 111 0.524 29.612 17.674 1.00 21.80 C ATOM 842 C TRP A 111 0.588 31.127 17.957 1.00 4.66 C ATOM 843 O TRP A 111 0.045 31.962 17.187 1.00 4.24 O ATOM 844 CB TRP A 111 -0.629 28.897 18.392 1.00 15.47 C ATOM 845 CG TRP A 111 -1.932 29.664 18.353 1.00 12.09 C ATOM 846 CD1 TRP A 111 -2.887 29.484 17.366 1.00 6.21 C ATOM 847 CD2 TRP A 111 -2.423 30.649 19.286 1.00 17.14 C ATOM 848 NE1 TRP A 111 -3.953 30.308 17.676 1.00 16.91 N ATOM 849 CE2 TRP A 111 -3.709 31.036 18.804 1.00 31.95 C ATOM 850 CE3 TRP A 111 -1.978 31.314 20.434 1.00 0.50 C ATOM 851 CZ2 TRP A 111 -4.499 31.998 19.428 1.00 1.58 C ATOM 852 CZ3 TRP A 111 -2.748 32.227 21.085 1.00 10.64 C ATOM 853 CH2 TRP A 111 -4.008 32.582 20.584 1.00 9.79 C ATOM 854 N ARG A 112 1.247 31.417 19.068 1.00 5.58 N ATOM 855 CA ARG A 112 1.333 32.817 19.580 1.00 25.23 C ATOM 856 C ARG A 112 1.956 33.769 18.584 1.00 16.47 C ATOM 857 O ARG A 112 1.461 34.856 18.238 1.00 13.95 O ATOM 858 CB ARG A 112 2.108 32.705 20.879 1.00 14.14 C ATOM 859 CG ARG A 112 2.006 33.699 21.984 1.00 35.65 C ATOM 860 CD ARG A 112 3.372 33.822 22.625 1.00 42.34 C ATOM 861 NE ARG A 112 3.777 32.520 23.168 1.00 46.79 N ATOM 862 CZ ARG A 112 5.060 32.209 23.405 1.00 91.96 C ATOM 863 NH1 ARG A 112 6.037 33.096 23.187 1.00 62.95 N ATOM 864 NH2 ARG A 112 5.350 30.980 23.852 1.00 80.66 N ATOM 865 N ASN A 113 3.017 33.288 17.993 1.00 5.94 N ATOM 866 CA ASN A 113 3.909 33.942 17.053 1.00 15.49 C ATOM 867 C ASN A 113 3.586 33.899 15.580 1.00 12.96 C ATOM 868 O ASN A 113 4.112 34.761 14.824 1.00 19.89 O ATOM 869 CB ASN A 113 5.354 33.453 17.351 1.00 23.11 C ATOM 870 CG ASN A 113 5.875 33.815 18.741 1.00 17.87 C ATOM 871 OD1 ASN A 113 5.448 34.745 19.469 1.00 22.71 O ATOM 872 ND2 ASN A 113 6.887 32.987 19.085 1.00 14.66 N ATOM 873 N ARG A 114 2.771 32.995 15.126 1.00 8.28 N ATOM 874 CA ARG A 114 2.425 32.850 13.721 1.00 6.66 C ATOM 875 C ARG A 114 0.935 32.591 13.532 1.00 16.52 C ATOM 876 O ARG A 114 0.687 32.604 12.331 1.00 11.06 O ATOM 877 CB ARG A 114 3.204 31.691 13.047 1.00 22.28 C ATOM 878 CG ARG A 114 4.458 31.356 13.860 1.00 11.96 C ATOM 879 CD ARG A 114 5.693 31.306 13.132 1.00 0.50 C ATOM 880 NE ARG A 114 5.580 30.877 11.722 1.00 11.84 N ATOM 881 CZ ARG A 114 6.343 30.075 10.965 1.00 18.21 C ATOM 882 NH1 ARG A 114 7.073 29.038 11.417 1.00 12.34 N ATOM 883 NH2 ARG A 114 6.488 30.047 9.643 1.00 14.92 N ATOM 884 N CYS A 115 0.092 32.369 14.518 1.00 10.31 N ATOM 885 CA CYS A 115 -1.313 32.098 14.272 1.00 15.59 C ATOM 886 C CYS A 115 -2.231 33.180 14.847 1.00 19.72 C ATOM 887 O CYS A 115 -3.064 33.632 14.048 1.00 11.02 O ATOM 888 CB CYS A 115 -1.744 30.719 14.814 1.00 17.08 C ATOM 889 SG CYS A 115 -0.827 29.498 13.858 1.00 10.01 S ATOM 890 N LYS A 116 -1.984 33.431 16.105 1.00 7.29 N ATOM 891 CA LYS A 116 -2.630 34.414 16.958 1.00 8.86 C ATOM 892 C LYS A 116 -2.905 35.675 16.147 1.00 13.46 C ATOM 893 O LYS A 116 -1.951 36.134 15.497 1.00 11.63 O ATOM 894 CB LYS A 116 -1.709 34.750 18.150 1.00 6.38 C ATOM 895 CG LYS A 116 -2.441 35.302 19.363 1.00 8.27 C ATOM 896 CD LYS A 116 -1.830 36.185 20.397 1.00 11.46 C ATOM 897 CE LYS A 116 -2.686 36.373 21.626 1.00 6.86 C ATOM 898 NZ LYS A 116 -1.886 36.252 22.893 1.00 13.43 N ATOM 899 N GLY A 117 -4.054 36.329 16.170 1.00 13.49 N ATOM 900 CA GLY A 117 -4.304 37.538 15.427 1.00 22.36 C ATOM 901 C GLY A 117 -4.268 37.580 13.916 1.00 10.35 C ATOM 902 O GLY A 117 -4.464 38.690 13.376 1.00 22.46 O ATOM 903 N THR A 118 -4.109 36.509 13.196 1.00 25.68 N ATOM 904 CA THR A 118 -4.079 36.209 11.776 1.00 35.49 C ATOM 905 C THR A 118 -5.424 35.646 11.322 1.00 5.93 C ATOM 906 O THR A 118 -6.242 35.290 12.201 1.00 20.77 O ATOM 907 CB THR A 118 -2.915 35.202 11.405 1.00 16.18 C ATOM 908 OG1 THR A 118 -3.227 33.874 11.883 1.00 10.80 O ATOM 909 CG2 THR A 118 -1.619 35.691 12.081 1.00 16.38 C ATOM 910 N ASP A 119 -5.640 35.580 10.026 1.00 24.67 N ATOM 911 CA ASP A 119 -6.921 35.024 9.531 1.00 31.45 C ATOM 912 C ASP A 119 -6.685 33.502 9.509 1.00 5.99 C ATOM 913 O ASP A 119 -6.394 32.902 8.477 1.00 30.62 O ATOM 914 CB ASP A 119 -7.386 35.679 8.248 1.00 61.14 C ATOM 915 CG ASP A 119 -8.716 35.239 7.649 1.00 34.36 C ATOM 916 OD1 ASP A 119 -9.822 35.488 8.180 1.00 71.60 O ATOM 917 OD2 ASP A 119 -8.661 34.625 6.551 1.00 30.71 O ATOM 918 N VAL A 120 -6.801 32.886 10.678 1.00 16.11 N ATOM 919 CA VAL A 120 -6.666 31.437 10.903 1.00 18.68 C ATOM 920 C VAL A 120 -7.778 30.684 10.181 1.00 35.90 C ATOM 921 O VAL A 120 -7.785 29.462 10.213 1.00 24.86 O ATOM 922 CB VAL A 120 -6.732 31.175 12.412 1.00 14.61 C ATOM 923 CG1 VAL A 120 -5.594 31.755 13.254 1.00 10.54 C ATOM 924 CG2 VAL A 120 -8.086 31.634 12.941 1.00 17.23 C ATOM 925 N GLN A 121 -8.710 31.408 9.589 1.00 37.95 N ATOM 926 CA GLN A 121 -9.846 30.867 8.851 1.00 18.27 C ATOM 927 C GLN A 121 -9.415 30.302 7.496 1.00 22.23 C ATOM 928 O GLN A 121 -9.942 29.350 6.894 1.00 16.01 O ATOM 929 CB GLN A 121 -10.982 31.881 8.757 1.00 46.93 C ATOM 930 CG GLN A 121 -12.128 31.413 9.658 1.00 88.59 C ATOM 931 CD GLN A 121 -13.390 31.388 8.813 1.00121.20 C ATOM 932 OE1 GLN A 121 -13.996 30.341 8.630 1.00 73.94 O ATOM 933 NE2 GLN A 121 -13.683 32.594 8.321 1.00 58.47 N ATOM 934 N ALA A 122 -8.367 30.859 6.958 1.00 8.82 N ATOM 935 CA ALA A 122 -7.800 30.409 5.678 1.00 17.06 C ATOM 936 C ALA A 122 -7.301 28.972 5.711 1.00 23.27 C ATOM 937 O ALA A 122 -7.175 28.276 4.665 1.00 12.42 O ATOM 938 CB ALA A 122 -6.678 31.381 5.360 1.00 20.14 C ATOM 939 N TRP A 123 -6.985 28.524 6.930 1.00 28.59 N ATOM 940 CA TRP A 123 -6.500 27.134 7.192 1.00 19.83 C ATOM 941 C TRP A 123 -7.494 25.991 6.897 1.00 26.16 C ATOM 942 O TRP A 123 -7.091 24.845 6.489 1.00 21.28 O ATOM 943 CB TRP A 123 -5.872 27.074 8.611 1.00 5.19 C ATOM 944 CG TRP A 123 -4.626 27.904 8.687 1.00 19.62 C ATOM 945 CD1 TRP A 123 -4.375 29.131 9.237 1.00 23.05 C ATOM 946 CD2 TRP A 123 -3.392 27.469 8.080 1.00 22.46 C ATOM 947 NE1 TRP A 123 -3.053 29.485 9.007 1.00 10.94 N ATOM 948 CE2 TRP A 123 -2.432 28.485 8.315 1.00 50.97 C ATOM 949 CE3 TRP A 123 -3.043 26.292 7.376 1.00 19.50 C ATOM 950 CZ2 TRP A 123 -1.112 28.362 7.893 1.00 16.24 C ATOM 951 CZ3 TRP A 123 -1.745 26.168 6.907 1.00 24.48 C ATOM 952 CH2 TRP A 123 -0.823 27.203 7.171 1.00 43.83 C ATOM 953 N ILE A 124 -8.796 26.224 7.014 1.00 30.86 N ATOM 954 CA ILE A 124 -9.866 25.289 6.681 1.00 31.65 C ATOM 955 C ILE A 124 -10.707 25.698 5.466 1.00 20.89 C ATOM 956 O ILE A 124 -11.712 25.017 5.173 1.00 28.39 O ATOM 957 CB ILE A 124 -10.832 24.985 7.884 1.00 17.44 C ATOM 958 CG1 ILE A 124 -11.782 26.171 8.112 1.00 20.76 C ATOM 959 CG2 ILE A 124 -9.901 24.557 9.037 1.00 15.63 C ATOM 960 CD1 ILE A 124 -12.969 25.913 9.096 1.00 26.17 C ATOM 961 N ARG A 125 -10.333 26.755 4.772 1.00 26.76 N ATOM 962 CA ARG A 125 -11.088 27.166 3.576 1.00 32.60 C ATOM 963 C ARG A 125 -10.840 26.052 2.543 1.00 71.96 C ATOM 964 O ARG A 125 -9.726 25.519 2.510 1.00 17.47 O ATOM 965 CB ARG A 125 -10.813 28.574 3.030 1.00 18.68 C ATOM 966 CG ARG A 125 -12.071 29.435 3.249 1.00118.55 C ATOM 967 CD ARG A 125 -12.324 29.858 4.665 1.00 48.00 C ATOM 968 NE ARG A 125 -12.037 31.300 4.766 1.00101.89 N ATOM 969 CZ ARG A 125 -10.866 31.828 4.381 1.00124.97 C ATOM 970 NH1 ARG A 125 -10.257 31.527 3.231 1.00 74.88 N ATOM 971 NH2 ARG A 125 -10.199 32.688 5.161 1.00 28.70 N ATOM 972 N GLY A 126 -11.854 25.687 1.790 1.00 51.96 N ATOM 973 CA GLY A 126 -11.902 24.667 0.775 1.00 9.57 C ATOM 974 C GLY A 126 -12.180 23.245 1.234 1.00 18.43 C ATOM 975 O GLY A 126 -12.435 22.375 0.385 1.00 35.26 O ATOM 976 N CYS A 127 -12.120 22.993 2.534 1.00 14.11 N ATOM 977 CA CYS A 127 -12.316 21.696 3.192 1.00 24.60 C ATOM 978 C CYS A 127 -13.799 21.330 3.209 1.00 31.12 C ATOM 979 O CYS A 127 -14.641 22.188 3.531 1.00 30.26 O ATOM 980 CB CYS A 127 -11.623 21.650 4.564 1.00 26.98 C ATOM 981 SG CYS A 127 -9.813 22.025 4.572 1.00 22.41 S ATOM 982 N ARG A 128 -14.115 20.092 2.864 1.00 20.53 N ATOM 983 CA ARG A 128 -15.546 19.616 2.895 1.00 26.04 C ATOM 984 C ARG A 128 -15.668 19.230 4.375 1.00 12.60 C ATOM 985 O ARG A 128 -15.177 18.116 4.709 1.00 78.44 O ATOM 986 CB ARG A 128 -15.738 18.417 2.017 1.00 43.48 C ATOM 987 CG ARG A 128 -16.888 18.249 1.096 1.00 69.31 C ATOM 988 CD ARG A 128 -18.246 18.121 1.682 1.00 50.01 C ATOM 989 NE ARG A 128 -19.248 18.431 0.656 1.00 99.16 N ATOM 990 CZ ARG A 128 -19.174 18.153 -0.647 1.00 99.79 C ATOM 991 NH1 ARG A 128 -18.059 18.099 -1.372 1.00 54.56 N ATOM 992 NH2 ARG A 128 -20.303 17.887 -1.323 1.00111.87 N ATOM 993 N LEU A 129 -16.110 20.162 5.213 1.00 19.06 N ATOM 994 CA LEU A 129 -16.131 19.885 6.673 1.00 22.78 C ATOM 995 C LEU A 129 -17.609 20.029 7.100 1.00124.36 C ATOM 996 O LEU A 129 -17.937 19.374 8.114 1.00 38.15 O ATOM 997 CB LEU A 129 -15.156 20.708 7.483 1.00 59.32 C ATOM 998 CG LEU A 129 -13.720 20.634 7.938 1.00 21.65 C ATOM 999 CD1 LEU A 129 -13.469 21.832 8.886 1.00 56.73 C ATOM 1000 CD2 LEU A 129 -13.286 19.408 8.726 1.00 17.30 C ATOM 1001 OXT LEU A 129 -18.280 20.776 6.336 1.00 98.10 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -3.209 8.963 0.879 1.00 52.85 O HETATM 1004 O HOH A 131 4.191 11.581 -0.152 1.00 56.00 O HETATM 1005 O HOH A 132 -12.262 18.264 0.007 1.00 33.11 O HETATM 1006 O HOH A 133 0.961 22.068 -1.111 1.00 63.74 O HETATM 1007 O HOH A 134 12.529 12.529 0.000 1.00 78.24 O HETATM 1008 O HOH A 135 4.593 6.094 2.023 1.00 67.68 O HETATM 1009 O HOH A 136 11.441 23.645 1.384 1.00 72.93 O HETATM 1010 O HOH A 137 -6.011 18.954 1.982 1.00 24.24 O HETATM 1011 O HOH A 138 -2.262 19.392 2.114 1.00 31.49 O HETATM 1012 O HOH A 139 -2.332 21.770 2.767 1.00 57.50 O HETATM 1013 O HOH A 140 6.067 24.464 1.636 1.00 54.68 O HETATM 1014 O HOH A 141 10.373 27.698 2.263 1.00 15.84 O HETATM 1015 O HOH A 142 1.625 29.558 1.238 1.00 53.35 O HETATM 1016 O HOH A 143 -4.329 33.046 1.935 1.00 53.06 O HETATM 1017 O HOH A 144 -11.145 17.882 2.087 1.00 73.04 O HETATM 1018 O HOH A 145 16.320 22.712 1.685 1.00 34.96 O HETATM 1019 O HOH A 146 4.777 29.132 2.495 1.00 24.14 O HETATM 1020 O HOH A 147 -6.396 16.345 2.627 1.00 36.72 O HETATM 1021 O HOH A 148 7.989 10.417 3.129 1.00 35.18 O HETATM 1022 O HOH A 149 0.886 18.040 4.422 1.00 40.53 O HETATM 1023 O HOH A 150 1.736 27.652 3.445 1.00 86.55 O HETATM 1024 O HOH A 151 -1.450 11.566 4.052 1.00 43.77 O HETATM 1025 O HOH A 152 -3.147 31.263 5.458 1.00 86.10 O HETATM 1026 O HOH A 153 6.262 24.669 4.683 1.00 49.27 O HETATM 1027 O HOH A 154 11.561 21.822 5.804 1.00 55.80 O HETATM 1028 O HOH A 155 -5.407 6.643 5.620 1.00 50.43 O HETATM 1029 O HOH A 156 2.327 9.964 5.504 1.00 24.83 O HETATM 1030 O HOH A 157 9.780 17.732 5.319 1.00 51.71 O HETATM 1031 O HOH A 158 3.454 32.152 5.609 1.00 35.34 O HETATM 1032 O HOH A 159 2.908 7.250 6.930 1.00 52.55 O HETATM 1033 O HOH A 160 5.997 29.662 6.284 1.00 37.36 O HETATM 1034 O HOH A 161 7.742 24.140 7.779 1.00 57.43 O HETATM 1035 O HOH A 162 5.285 9.853 7.052 1.00 23.68 O HETATM 1036 O HOH A 163 -11.739 11.351 7.555 1.00 33.50 O HETATM 1037 O HOH A 164 -1.008 32.112 6.664 1.00 68.13 O HETATM 1038 O HOH A 165 5.088 33.001 6.996 1.00 33.02 O HETATM 1039 O HOH A 166 -7.606 10.287 8.728 1.00 30.68 O HETATM 1040 O HOH A 167 7.616 27.782 8.093 1.00 12.72 O HETATM 1041 O HOH A 168 6.082 6.134 7.909 1.00 51.95 O HETATM 1042 O HOH A 169 -0.363 2.521 8.869 1.00108.72 O HETATM 1043 O HOH A 170 15.468 17.105 8.141 1.00 66.38 O HETATM 1044 O HOH A 171 -5.700 5.700 9.400 1.00 80.33 O HETATM 1045 O HOH A 172 5.112 10.405 9.603 1.00 14.79 O HETATM 1046 O HOH A 173 -3.174 32.163 9.610 1.00 28.82 O HETATM 1047 O HOH A 174 4.278 32.732 9.680 1.00 31.06 O HETATM 1048 O HOH A 175 1.037 33.365 9.462 1.00 29.43 O HETATM 1049 O HOH A 176 3.176 7.193 10.413 1.00 31.80 O HETATM 1050 O HOH A 177 13.553 20.305 8.189 1.00 48.18 O HETATM 1051 O HOH A 178 -15.470 15.381 11.341 1.00 32.72 O HETATM 1052 O HOH A 179 7.930 17.560 10.256 1.00 16.26 O HETATM 1053 O HOH A 180 7.458 23.962 10.926 1.00 34.50 O HETATM 1054 O HOH A 181 -3.788 3.578 12.848 1.00 36.55 O HETATM 1055 O HOH A 182 9.602 18.989 12.379 1.00 35.07 O HETATM 1056 O HOH A 183 -6.824 10.037 13.938 1.00 31.36 O HETATM 1057 O HOH A 184 1.915 3.728 11.303 1.00 57.14 O HETATM 1058 O HOH A 185 3.680 7.266 13.444 1.00 19.57 O HETATM 1059 O HOH A 186 11.262 12.981 14.789 1.00 16.92 O HETATM 1060 O HOH A 187 7.699 28.315 14.204 1.00 12.60 O HETATM 1061 O HOH A 188 -0.942 39.336 14.969 1.00 26.89 O HETATM 1062 O HOH A 189 13.662 23.259 14.928 1.00 64.80 O HETATM 1063 O HOH A 190 0.848 35.992 15.308 1.00 20.07 O HETATM 1064 O HOH A 191 0.165 4.531 14.750 1.00 39.12 O HETATM 1065 O HOH A 192 8.778 24.166 15.959 1.00 47.59 O HETATM 1066 O HOH A 193 3.778 4.109 15.660 1.00 24.80 O HETATM 1067 O HOH A 194 0.001 12.208 16.266 1.00 24.22 O HETATM 1068 O HOH A 195 -15.359 20.275 16.314 1.00 24.20 O HETATM 1069 O HOH A 196 7.759 30.820 17.188 1.00 12.48 O HETATM 1070 O HOH A 197 -2.711 3.544 18.406 1.00 83.86 O HETATM 1071 O HOH A 198 2.515 2.515 18.800 1.00 94.09 O HETATM 1072 O HOH A 199 -1.479 11.053 18.907 1.00 9.65 O HETATM 1073 O HOH A 200 14.714 14.716 18.800 1.00 58.42 O HETATM 1074 O HOH A 201 8.678 23.008 18.771 1.00 36.34 O HETATM 1075 O HOH A 202 -4.086 7.798 19.720 1.00 27.10 O HETATM 1076 O HOH A 203 9.122 27.406 18.420 1.00 38.74 O HETATM 1077 O HOH A 204 1.112 16.346 19.834 1.00 13.43 O HETATM 1078 O HOH A 205 -17.103 21.670 18.431 1.00 88.87 O HETATM 1079 O HOH A 206 -1.406 6.667 20.541 1.00 24.33 O HETATM 1080 O HOH A 207 11.655 22.859 19.861 1.00 43.47 O HETATM 1081 O HOH A 208 6.450 25.735 19.544 1.00 51.13 O HETATM 1082 O HOH A 209 -10.579 12.783 21.443 1.00 35.79 O HETATM 1083 O HOH A 210 9.666 24.183 22.848 1.00 38.33 O HETATM 1084 O HOH A 211 0.252 38.109 21.856 1.00 36.16 O HETATM 1085 O HOH A 212 -15.493 19.303 22.223 1.00 41.38 O HETATM 1086 O HOH A 213 5.296 25.744 22.719 1.00 28.55 O HETATM 1087 O HOH A 214 4.868 23.040 22.579 1.00 40.77 O HETATM 1088 O HOH A 215 -1.779 6.290 23.203 1.00 50.75 O HETATM 1089 O HOH A 216 -11.978 14.286 23.562 1.00 33.93 O HETATM 1090 O HOH A 217 2.222 23.100 23.800 1.00 28.10 O HETATM 1091 O HOH A 218 -14.533 16.875 24.282 1.00 30.22 O HETATM 1092 O HOH A 219 6.746 23.477 24.393 1.00 37.69 O HETATM 1093 O HOH A 220 -0.481 36.478 25.610 1.00 53.18 O HETATM 1094 O HOH A 221 3.498 21.600 25.070 1.00 24.13 O HETATM 1095 O HOH A 222 -15.948 18.461 25.359 1.00 35.05 O HETATM 1096 O HOH A 223 13.716 14.780 26.284 1.00 20.61 O HETATM 1097 O HOH A 224 2.022 34.211 26.214 1.00 50.91 O HETATM 1098 O HOH A 225 -3.665 11.516 26.164 1.00 44.93 O HETATM 1099 O HOH A 226 -8.883 14.983 27.443 1.00 30.34 O HETATM 1100 O HOH A 227 4.150 27.460 26.865 1.00 62.44 O HETATM 1101 O HOH A 228 -8.200 8.200 28.200 1.00 83.46 O HETATM 1102 O HOH A 229 -4.903 12.633 28.861 1.00 39.20 O HETATM 1103 O HOH A 230 1.954 3.100 28.172 1.00113.29 O HETATM 1104 O HOH A 231 -7.970 11.328 28.249 1.00 41.23 O HETATM 1105 O HOH A 232 -9.556 17.950 28.975 1.00 46.92 O HETATM 1106 O HOH A 233 -18.200 18.200 28.200 1.00108.13 O HETATM 1107 O HOH A 234 3.515 23.848 27.129 1.00 53.40 O HETATM 1108 O HOH A 235 -13.553 23.174 28.011 1.00 51.79 O HETATM 1109 O HOH A 236 -2.592 26.587 28.978 1.00 23.28 O HETATM 1110 O HOH A 237 -1.330 5.624 28.564 1.00 61.27 O HETATM 1111 O HOH A 238 9.996 22.628 28.797 1.00 30.99 O HETATM 1112 O HOH A 239 7.491 30.644 29.077 1.00 57.02 O HETATM 1113 O HOH A 240 3.466 33.043 28.502 1.00 91.74 O HETATM 1114 O HOH A 241 2.048 36.827 29.653 1.00 69.40 O HETATM 1115 O HOH A 242 2.000 7.000 30.700 1.00 49.09 O HETATM 1116 O HOH A 243 -5.108 7.141 30.233 1.00 92.01 O HETATM 1117 O HOH A 244 -6.343 28.104 29.371 1.00 28.76 O HETATM 1118 O HOH A 245 -9.769 15.124 31.004 1.00 38.89 O HETATM 1119 O HOH A 246 -0.118 26.310 29.678 1.00 30.86 O HETATM 1120 O HOH A 247 9.576 12.355 30.730 1.00 22.20 O HETATM 1121 O HOH A 248 -15.231 23.360 30.416 1.00 79.31 O HETATM 1122 O HOH A 249 12.112 25.240 30.318 1.00 34.40 O HETATM 1123 O HOH A 250 0.320 4.979 31.081 1.00 45.51 O HETATM 1124 O HOH A 251 -3.645 5.784 31.367 1.00 56.12 O HETATM 1125 O HOH A 252 4.033 6.035 31.200 1.00 35.00 O HETATM 1126 O HOH A 253 3.957 32.947 32.378 1.00 80.66 O HETATM 1127 O HOH A 254 -11.044 11.707 31.505 1.00 42.13 O HETATM 1128 O HOH A 255 -12.763 17.581 32.108 1.00 61.04 O HETATM 1129 O HOH A 256 2.021 24.763 31.764 1.00 48.83 O HETATM 1130 O HOH A 257 3.609 28.446 30.915 1.00 57.93 O HETATM 1131 O HOH A 258 11.349 11.348 32.692 1.00 12.75 O HETATM 1132 O HOH A 259 -5.365 10.863 32.202 1.00 73.70 O HETATM 1133 O HOH A 260 12.492 20.074 32.166 1.00 38.53 O HETATM 1134 O HOH A 261 14.100 25.200 32.874 1.00 35.13 O HETATM 1135 O HOH A 262 1.297 22.357 34.041 1.00 71.15 O HETATM 1136 O HOH A 263 14.842 22.443 34.890 1.00 40.99 O HETATM 1137 O HOH A 264 11.980 24.280 32.550 1.00 45.91 O HETATM 1138 O HOH A 265 -3.200 36.212 32.708 1.00 36.72 O HETATM 1139 O HOH A 266 -3.710 4.508 34.830 1.00 63.96 O HETATM 1140 O HOH A 267 -8.389 10.558 33.794 1.00 71.02 O HETATM 1141 O HOH A 268 7.037 11.991 33.306 1.00 31.06 O HETATM 1142 O HOH A 269 -6.643 19.845 33.533 1.00 47.51 O HETATM 1143 O HOH A 270 -8.802 14.826 33.465 1.00 60.20 O HETATM 1144 O HOH A 271 4.542 8.531 34.907 1.00 34.33 O HETATM 1145 O HOH A 272 -16.284 17.031 35.003 1.00 44.53 O HETATM 1146 O HOH A 273 4.561 26.418 35.483 1.00 60.42 O HETATM 1147 O HOH A 274 -1.569 32.586 34.996 1.00 62.84 O HETATM 1148 O HOH A 275 -6.259 30.087 35.358 1.00 67.75 O HETATM 1149 O HOH A 276 0.229 11.540 36.292 1.00 69.76 O HETATM 1150 O HOH A 277 -9.245 17.569 35.252 1.00 66.67 O HETATM 1151 O HOH A 278 -2.665 28.588 35.184 1.00 30.04 O HETATM 1152 O HOH A 279 -3.530 18.679 35.884 1.00 72.90 O HETATM 1153 O HOH A 280 -10.378 28.168 36.933 1.00 54.96 O HETATM 1154 O HOH A 281 -0.530 30.399 36.371 1.00 41.52 O HETATM 1155 O HOH A 282 -10.636 20.200 36.464 1.00 49.92 O HETATM 1156 O HOH A 283 -5.287 12.653 36.802 1.00 73.90 O HETATM 1157 O HOH A 284 -11.731 12.355 36.568 1.00 30.92 O HETATM 1158 O HOH A 285 -14.547 15.943 36.099 1.00 45.70 O HETATM 1159 O HOH A 286 -9.736 22.343 36.705 1.00 46.93 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 392 1 0 6 5 15 0 6 1158 1 8 10 END