HEADER HYDROLASE (O-GLYCOSYL) 19-OCT-94 1LMN TITLE THE REFINED CRYSTAL STRUCTURE OF LYSOZYME FROM THE RAINBOW TITLE 2 TROUT (ONCORHYNCHUS MYKISS) COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAINBOW TROUT LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS MYKISS; SOURCE 3 ORGANISM_COMMON: RAINBOW TROUT; SOURCE 4 ORGANISM_TAXID: 8022 KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR S.KARLSEN,E.HOUGH REVDAT 2 24-FEB-09 1LMN 1 VERSN REVDAT 1 07-FEB-95 1LMN 0 JRNL AUTH S.KARLSEN,B.E.ELIASSEN,L.K.HANSEN,R.L.LARSEN, JRNL AUTH 2 B.W.RIISE,A.O.SMALAS,E.HOUGH,B.GRINDE JRNL TITL REFINED CRYSTAL STRUCTURE OF LYSOZYME FROM THE JRNL TITL 2 RAINBOW TROUT (ONCORHYNCHUS MYKISS). JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 51 354 1995 JRNL REFN ISSN 0907-4449 JRNL PMID 15299303 JRNL DOI 10.1107/S0907444994010929 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.GRINDE,J.JOLLES,P.JOLLES REMARK 1 TITL PURIFICATION AND CHARACTERIZATION OF TWO LYSOZYMES REMARK 1 TITL 2 FROM RAINBOW TROUT (SALMO GAIRDNERI) REMARK 1 REF EUR.J.BIOCHEM. V. 173 269 1988 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 16305 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) : 0.174 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 : 999 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 127 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.40 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) : 0.013 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.044 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.047 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.013 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.038 ; 0.060 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.172 ; 0.030 REMARK 3 MULTIPLE TORSION (A) : 0.254 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.224 ; 0.300 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 6.400 ; 3.000 REMARK 3 STAGGERED (DEGREES) : 18.300; 15.000 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: THE STRUCTURE WAS SOLVED BY REMARK 3 MOLECULAR REPLACEMENT METHODS USING THE MERLOT PACKAGE REMARK 3 (FITZGERALD, P. (1988) J. APPL. CRYST. 21, 273-278) AND THE REMARK 3 REFINED MODEL OF THE HEN EGG-WHITE LYSOZYME AS SEARCH MODEL REMARK 3 (BROOKHAVEN PROTEIN DATA BANK, ENTRY 1LZT, HODSON ET AL., REMARK 3 (1990), ACTA. CRYST. B46, 52-62. REMARK 4 REMARK 4 1LMN 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 : 16305 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 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: MERLOT REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 61.93 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.23 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 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 -0.499967 -0.865994 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866057 -0.500033 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.15343 REMARK 290 SMTRY1 3 -0.500033 0.865994 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866057 -0.499967 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 36.30687 REMARK 290 SMTRY1 4 0.499967 0.865994 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866095 -0.499967 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.500033 -0.865994 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866019 -0.500033 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 36.30687 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 18.15343 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 176 O HOH A 176 4556 1.26 REMARK 500 O HOH A 143 O HOH A 143 4556 1.46 REMARK 500 CD1 LEU A 113 CD1 LEU A 113 5675 1.76 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 ASP A 4 CB - CG - OD1 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 4 CB - CG - OD2 ANGL. DEV. = 8.0 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 7.9 DEGREES REMARK 500 LEU A 31 CA - CB - CG ANGL. DEV. = 20.6 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 ASP A 48 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 7.7 DEGREES REMARK 500 ARG A 61 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG A 79 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 ARG A 79 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 ASP A 86 CB - CG - OD1 ANGL. DEV. = 6.3 DEGREES REMARK 500 ARG A 97 NE - CZ - NH1 ANGL. DEV. = 7.1 DEGREES REMARK 500 ARG A 97 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 VAL A 129 CA - C - O ANGL. DEV. = -13.2 DEGREES 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 45 0.15 SIDE_CHAIN REMARK 500 ARG A 61 0.24 SIDE_CHAIN REMARK 500 ARG A 93 0.21 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 166 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 230 DISTANCE = 6.25 ANGSTROMS REMARK 525 HOH A 233 DISTANCE = 5.77 ANGSTROMS DBREF 1LMN A 1 129 UNP P11941 LYSC2_ONCMY 16 144 SEQADV 1LMN ASP A 86 UNP P11941 ALA 101 CONFLICT SEQRES 1 A 129 LYS VAL TYR ASP ARG CYS GLU LEU ALA ARG ALA LEU LYS SEQRES 2 A 129 ALA SER GLY MET ASP GLY TYR ALA GLY ASN SER LEU PRO SEQRES 3 A 129 ASN TRP VAL CYS LEU SER LYS TRP GLU SER SER TYR 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 PHE GLN ILE ASN SER ARG TYR TRP CYS ASP SEQRES 6 A 129 ASP GLY ARG THR PRO GLY ALA LYS ASN VAL CYS GLY ILE SEQRES 7 A 129 ARG CYS SER GLN LEU LEU THR ASP ASP LEU THR VAL ALA SEQRES 8 A 129 ILE ARG CYS ALA LYS ARG VAL VAL LEU ASP PRO ASN GLY SEQRES 9 A 129 ILE GLY ALA TRP VAL ALA TRP ARG LEU HIS CYS GLN ASN SEQRES 10 A 129 GLN ASP LEU ARG SER TYR VAL ALA GLY CYS GLY VAL FORMUL 2 HOH *127(H2 O) HELIX 1 1 ARG A 5 ALA A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 80 LEU A 83 5 4 HELIX 5 5 THR A 89 LEU A 100 1 12 HELIX 6 6 GLY A 104 ALA A 107 5 4 HELIX 7 7 VAL A 109 HIS A 114 1 6 HELIX 8 8 ARG A 121 VAL A 124 1 4 SHEET 1 A 2 THR A 43 ARG A 45 0 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.01 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.02 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.01 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.00 CRYST1 76.680 76.680 54.460 90.00 90.00 120.00 P 31 2 1 6 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 0.015059 0.000000 0.000000 0.00000 SCALE2 0.007529 0.013041 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018362 0.00000 ATOM 1 N LYS A 1 40.403 23.551 17.402 1.00 21.70 N ATOM 2 CA LYS A 1 40.134 23.569 15.962 1.00 18.84 C ATOM 3 C LYS A 1 40.631 24.819 15.278 1.00 17.85 C ATOM 4 O LYS A 1 40.486 25.901 15.853 1.00 21.62 O ATOM 5 CB LYS A 1 38.620 23.452 15.728 1.00 18.70 C ATOM 6 CG LYS A 1 38.182 23.711 14.260 1.00 22.33 C ATOM 7 CD LYS A 1 36.683 23.457 14.287 1.00 24.19 C ATOM 8 CE LYS A 1 35.905 23.976 13.121 1.00 23.53 C ATOM 9 NZ LYS A 1 35.965 22.980 12.026 1.00 26.76 N ATOM 10 N VAL A 2 41.181 24.681 14.080 1.00 17.16 N ATOM 11 CA VAL A 2 41.640 25.840 13.304 1.00 19.45 C ATOM 12 C VAL A 2 40.548 26.035 12.233 1.00 28.69 C ATOM 13 O VAL A 2 40.407 25.190 11.360 1.00 23.22 O ATOM 14 CB VAL A 2 43.041 25.761 12.691 1.00 19.75 C ATOM 15 CG1 VAL A 2 43.331 27.042 11.918 1.00 21.97 C ATOM 16 CG2 VAL A 2 44.062 25.410 13.757 1.00 17.15 C ATOM 17 N TYR A 3 39.823 27.116 12.438 1.00 22.45 N ATOM 18 CA TYR A 3 38.740 27.467 11.537 1.00 16.69 C ATOM 19 C TYR A 3 39.280 28.069 10.251 1.00 17.62 C ATOM 20 O TYR A 3 40.308 28.736 10.157 1.00 22.97 O ATOM 21 CB TYR A 3 37.763 28.483 12.177 1.00 16.05 C ATOM 22 CG TYR A 3 36.781 27.830 13.110 1.00 17.68 C ATOM 23 CD1 TYR A 3 37.106 27.325 14.368 1.00 13.73 C ATOM 24 CD2 TYR A 3 35.444 27.716 12.698 1.00 23.68 C ATOM 25 CE1 TYR A 3 36.141 26.720 15.182 1.00 19.27 C ATOM 26 CE2 TYR A 3 34.455 27.105 13.486 1.00 18.88 C ATOM 27 CZ TYR A 3 34.819 26.600 14.736 1.00 23.25 C ATOM 28 OH TYR A 3 33.895 25.995 15.561 1.00 23.33 O ATOM 29 N ASP A 4 38.478 27.828 9.252 1.00 21.13 N ATOM 30 CA ASP A 4 38.574 28.360 7.900 1.00 18.84 C ATOM 31 C ASP A 4 37.922 29.740 8.102 1.00 17.29 C ATOM 32 O ASP A 4 36.934 29.785 8.885 1.00 20.53 O ATOM 33 CB ASP A 4 37.926 27.414 6.903 1.00 19.68 C ATOM 34 CG ASP A 4 37.336 28.056 5.670 1.00 33.32 C ATOM 35 OD1 ASP A 4 38.197 28.220 4.766 1.00 48.07 O ATOM 36 OD2 ASP A 4 36.144 28.404 5.515 1.00 51.31 O ATOM 37 N ARG A 5 38.405 30.754 7.423 1.00 17.23 N ATOM 38 CA ARG A 5 37.853 32.103 7.513 1.00 17.57 C ATOM 39 C ARG A 5 36.343 32.184 7.291 1.00 30.86 C ATOM 40 O ARG A 5 35.624 32.820 8.073 1.00 23.12 O ATOM 41 CB ARG A 5 38.577 33.000 6.492 1.00 17.11 C ATOM 42 CG ARG A 5 38.009 34.414 6.451 1.00 23.32 C ATOM 43 CD ARG A 5 38.724 35.261 5.457 1.00 25.02 C ATOM 44 NE ARG A 5 38.700 34.764 4.087 1.00 29.10 N ATOM 45 CZ ARG A 5 37.748 35.003 3.184 1.00 20.94 C ATOM 46 NH1 ARG A 5 36.745 35.835 3.414 1.00 24.26 N ATOM 47 NH2 ARG A 5 37.799 34.392 1.999 1.00 24.66 N ATOM 48 N CYS A 6 35.834 31.583 6.232 1.00 20.52 N ATOM 49 CA CYS A 6 34.401 31.636 5.918 1.00 18.60 C ATOM 50 C CYS A 6 33.613 30.724 6.846 1.00 14.69 C ATOM 51 O CYS A 6 32.447 31.030 7.148 1.00 16.72 O ATOM 52 CB CYS A 6 34.160 31.294 4.443 1.00 23.10 C ATOM 53 SG CYS A 6 34.548 32.619 3.298 1.00 22.38 S ATOM 54 N GLU A 7 34.203 29.639 7.299 1.00 16.62 N ATOM 55 CA GLU A 7 33.526 28.730 8.242 1.00 17.98 C ATOM 56 C GLU A 7 33.247 29.473 9.543 1.00 18.11 C ATOM 57 O GLU A 7 32.152 29.359 10.156 1.00 14.81 O ATOM 58 CB GLU A 7 34.362 27.481 8.422 1.00 13.16 C ATOM 59 CG GLU A 7 33.880 26.443 9.390 1.00 14.24 C ATOM 60 CD GLU A 7 34.976 25.463 9.708 1.00 31.56 C ATOM 61 OE1 GLU A 7 36.155 25.620 9.470 1.00 28.46 O ATOM 62 OE2 GLU A 7 34.429 24.488 10.254 1.00 26.17 O ATOM 63 N LEU A 8 34.273 30.256 9.927 1.00 16.13 N ATOM 64 CA LEU A 8 34.139 31.107 11.114 1.00 15.22 C ATOM 65 C LEU A 8 33.110 32.204 10.846 1.00 14.96 C ATOM 66 O LEU A 8 32.311 32.465 11.745 1.00 19.64 O ATOM 67 CB LEU A 8 35.515 31.659 11.517 1.00 14.22 C ATOM 68 CG LEU A 8 35.595 32.613 12.723 1.00 17.93 C ATOM 69 CD1 LEU A 8 35.200 31.853 13.988 1.00 17.25 C ATOM 70 CD2 LEU A 8 37.016 33.229 12.779 1.00 17.94 C ATOM 71 N ALA A 9 33.153 32.865 9.693 1.00 17.57 N ATOM 72 CA ALA A 9 32.180 33.935 9.403 1.00 15.74 C ATOM 73 C ALA A 9 30.767 33.382 9.547 1.00 19.27 C ATOM 74 O ALA A 9 29.911 34.039 10.193 1.00 20.89 O ATOM 75 CB ALA A 9 32.439 34.542 8.037 1.00 12.23 C ATOM 76 N ARG A 10 30.488 32.207 8.996 1.00 16.54 N ATOM 77 CA ARG A 10 29.180 31.565 9.087 1.00 15.50 C ATOM 78 C ARG A 10 28.806 31.249 10.515 1.00 17.79 C ATOM 79 O ARG A 10 27.631 31.482 10.879 1.00 17.29 O ATOM 80 CB ARG A 10 29.176 30.291 8.232 1.00 16.95 C ATOM 81 CG ARG A 10 29.256 30.659 6.748 1.00 26.71 C ATOM 82 CD ARG A 10 28.777 29.569 5.847 1.00 35.49 C ATOM 83 NE ARG A 10 29.403 28.312 6.237 1.00 34.27 N ATOM 84 CZ ARG A 10 30.564 27.929 5.667 1.00 64.05 C ATOM 85 NH1 ARG A 10 30.989 28.571 4.572 1.00 35.34 N ATOM 86 NH2 ARG A 10 31.302 26.913 6.150 1.00 36.97 N ATOM 87 N ALA A 11 29.746 30.731 11.317 1.00 25.13 N ATOM 88 CA ALA A 11 29.429 30.394 12.731 1.00 20.25 C ATOM 89 C ALA A 11 29.151 31.665 13.545 1.00 22.12 C ATOM 90 O ALA A 11 28.266 31.640 14.432 1.00 18.21 O ATOM 91 CB ALA A 11 30.527 29.508 13.344 1.00 11.63 C ATOM 92 N LEU A 12 29.851 32.762 13.282 1.00 21.26 N ATOM 93 CA LEU A 12 29.646 34.029 14.004 1.00 22.03 C ATOM 94 C LEU A 12 28.281 34.609 13.614 1.00 15.33 C ATOM 95 O LEU A 12 27.553 35.067 14.509 1.00 20.16 O ATOM 96 CB LEU A 12 30.855 34.956 13.752 1.00 17.85 C ATOM 97 CG LEU A 12 32.183 34.472 14.322 1.00 18.58 C ATOM 98 CD1 LEU A 12 33.289 35.513 14.125 1.00 21.18 C ATOM 99 CD2 LEU A 12 32.027 34.153 15.814 1.00 21.81 C ATOM 100 N LYS A 13 28.028 34.608 12.316 1.00 16.99 N ATOM 101 CA LYS A 13 26.745 35.123 11.830 1.00 15.76 C ATOM 102 C LYS A 13 25.577 34.317 12.394 1.00 24.23 C ATOM 103 O LYS A 13 24.581 34.944 12.792 1.00 24.15 O ATOM 104 CB LYS A 13 26.730 35.091 10.328 1.00 14.51 C ATOM 105 CG LYS A 13 25.358 35.354 9.762 1.00 20.68 C ATOM 106 CD LYS A 13 25.026 36.818 9.832 1.00 29.75 C ATOM 107 CE LYS A 13 24.464 37.245 8.472 1.00 46.00 C ATOM 108 NZ LYS A 13 23.880 38.592 8.655 1.00 36.62 N ATOM 109 N ALA A 14 25.630 33.016 12.477 1.00 24.20 N ATOM 110 CA ALA A 14 24.616 32.139 13.017 1.00 16.87 C ATOM 111 C ALA A 14 24.433 32.411 14.493 1.00 20.31 C ATOM 112 O ALA A 14 23.293 32.205 14.969 1.00 25.61 O ATOM 113 CB ALA A 14 24.949 30.647 12.842 1.00 17.40 C ATOM 114 N SER A 15 25.445 32.842 15.222 1.00 23.53 N ATOM 115 CA SER A 15 25.418 33.131 16.657 1.00 17.49 C ATOM 116 C SER A 15 25.045 34.541 17.083 1.00 17.68 C ATOM 117 O SER A 15 25.218 34.833 18.286 1.00 23.97 O ATOM 118 CB SER A 15 26.822 32.874 17.279 1.00 23.35 C ATOM 119 OG SER A 15 26.843 31.444 17.319 1.00 32.60 O ATOM 120 N GLY A 16 24.641 35.344 16.128 1.00 18.13 N ATOM 121 CA GLY A 16 24.230 36.719 16.343 1.00 23.12 C ATOM 122 C GLY A 16 25.337 37.738 16.551 1.00 16.11 C ATOM 123 O GLY A 16 25.012 38.780 17.177 1.00 21.95 O ATOM 124 N MET A 17 26.523 37.423 16.081 1.00 17.48 N ATOM 125 CA MET A 17 27.666 38.360 16.262 1.00 19.33 C ATOM 126 C MET A 17 27.559 39.490 15.246 1.00 19.86 C ATOM 127 O MET A 17 28.136 40.555 15.561 1.00 20.08 O ATOM 128 CB MET A 17 29.065 37.743 16.169 1.00 16.76 C ATOM 129 CG MET A 17 29.292 36.753 17.301 1.00 19.56 C ATOM 130 SD MET A 17 29.397 37.686 18.854 1.00 28.35 S ATOM 131 CE MET A 17 31.150 37.759 19.101 1.00 23.96 C ATOM 132 N ASP A 18 26.915 39.325 14.117 1.00 24.54 N ATOM 133 CA ASP A 18 26.822 40.409 13.132 1.00 20.28 C ATOM 134 C ASP A 18 25.968 41.575 13.650 1.00 26.70 C ATOM 135 O ASP A 18 24.736 41.508 13.602 1.00 28.97 O ATOM 136 CB ASP A 18 26.291 39.897 11.792 1.00 19.82 C ATOM 137 CG ASP A 18 26.549 40.943 10.716 1.00 26.75 C ATOM 138 OD1 ASP A 18 27.256 41.959 10.833 1.00 25.55 O ATOM 139 OD2 ASP A 18 26.015 40.789 9.604 1.00 34.45 O ATOM 140 N GLY A 19 26.629 42.624 14.099 1.00 21.53 N ATOM 141 CA GLY A 19 26.047 43.844 14.642 1.00 17.16 C ATOM 142 C GLY A 19 25.959 43.864 16.161 1.00 21.14 C ATOM 143 O GLY A 19 25.394 44.832 16.736 1.00 26.98 O ATOM 144 N TYR A 20 26.504 42.847 16.827 1.00 19.64 N ATOM 145 CA TYR A 20 26.397 42.784 18.299 1.00 11.62 C ATOM 146 C TYR A 20 27.092 44.001 18.899 1.00 20.21 C ATOM 147 O TYR A 20 28.288 44.270 18.663 1.00 17.65 O ATOM 148 CB TYR A 20 26.930 41.432 18.823 1.00 14.73 C ATOM 149 CG TYR A 20 26.472 41.330 20.272 1.00 16.79 C ATOM 150 CD1 TYR A 20 25.253 40.756 20.555 1.00 21.07 C ATOM 151 CD2 TYR A 20 27.243 41.812 21.337 1.00 21.85 C ATOM 152 CE1 TYR A 20 24.805 40.660 21.871 1.00 21.32 C ATOM 153 CE2 TYR A 20 26.802 41.721 22.654 1.00 26.53 C ATOM 154 CZ TYR A 20 25.567 41.135 22.919 1.00 20.87 C ATOM 155 OH TYR A 20 25.104 41.057 24.206 1.00 24.79 O ATOM 156 N ALA A 21 26.304 44.733 19.667 1.00 21.72 N ATOM 157 CA ALA A 21 26.683 45.961 20.339 1.00 15.85 C ATOM 158 C ALA A 21 27.265 46.906 19.278 1.00 28.72 C ATOM 159 O ALA A 21 28.239 47.670 19.516 1.00 29.54 O ATOM 160 CB ALA A 21 27.663 45.704 21.463 1.00 15.63 C ATOM 161 N GLY A 22 26.665 46.822 18.091 1.00 26.15 N ATOM 162 CA GLY A 22 27.088 47.661 16.963 1.00 27.14 C ATOM 163 C GLY A 22 28.334 47.258 16.216 1.00 33.40 C ATOM 164 O GLY A 22 28.811 48.113 15.439 1.00 28.78 O ATOM 165 N ASN A 23 28.867 46.064 16.383 1.00 24.38 N ATOM 166 CA ASN A 23 30.097 45.596 15.700 1.00 20.06 C ATOM 167 C ASN A 23 29.719 44.676 14.554 1.00 16.00 C ATOM 168 O ASN A 23 29.187 43.570 14.860 1.00 24.77 O ATOM 169 CB ASN A 23 31.025 44.917 16.703 1.00 17.33 C ATOM 170 CG ASN A 23 31.360 45.889 17.833 1.00 21.84 C ATOM 171 OD1 ASN A 23 30.903 45.751 18.980 1.00 27.17 O ATOM 172 ND2 ASN A 23 32.158 46.875 17.453 1.00 20.53 N ATOM 173 N SER A 24 29.920 45.131 13.333 1.00 14.12 N ATOM 174 CA SER A 24 29.552 44.286 12.181 1.00 16.92 C ATOM 175 C SER A 24 30.501 43.096 12.118 1.00 14.90 C ATOM 176 O SER A 24 31.601 43.137 12.639 1.00 18.40 O ATOM 177 CB SER A 24 29.575 45.099 10.907 1.00 21.28 C ATOM 178 OG SER A 24 30.946 45.495 10.752 1.00 25.27 O ATOM 179 N LEU A 25 30.047 42.060 11.440 1.00 18.39 N ATOM 180 CA LEU A 25 30.765 40.789 11.274 1.00 16.28 C ATOM 181 C LEU A 25 32.221 40.863 10.849 1.00 15.33 C ATOM 182 O LEU A 25 33.006 40.124 11.498 1.00 18.11 O ATOM 183 CB LEU A 25 29.942 39.903 10.288 1.00 16.04 C ATOM 184 CG LEU A 25 30.441 38.453 10.305 1.00 16.42 C ATOM 185 CD1 LEU A 25 29.929 37.768 11.560 1.00 21.53 C ATOM 186 CD2 LEU A 25 29.933 37.752 9.071 1.00 20.58 C ATOM 187 N PRO A 26 32.613 41.633 9.867 1.00 19.31 N ATOM 188 CA PRO A 26 34.020 41.724 9.469 1.00 23.09 C ATOM 189 C PRO A 26 34.946 42.088 10.625 1.00 19.16 C ATOM 190 O PRO A 26 36.141 41.722 10.653 1.00 19.19 O ATOM 191 CB PRO A 26 34.004 42.739 8.327 1.00 22.54 C ATOM 192 CG PRO A 26 32.607 42.630 7.810 1.00 16.36 C ATOM 193 CD PRO A 26 31.738 42.491 9.052 1.00 14.02 C ATOM 194 N ASN A 27 34.409 42.832 11.587 1.00 19.70 N ATOM 195 CA ASN A 27 35.170 43.280 12.761 1.00 14.79 C ATOM 196 C ASN A 27 35.625 42.057 13.544 1.00 14.30 C ATOM 197 O ASN A 27 36.806 42.017 13.917 1.00 15.64 O ATOM 198 CB ASN A 27 34.427 44.247 13.710 1.00 12.82 C ATOM 199 CG ASN A 27 34.456 45.624 13.063 1.00 21.53 C ATOM 200 OD1 ASN A 27 35.489 46.305 13.071 1.00 20.64 O ATOM 201 ND2 ASN A 27 33.359 45.983 12.412 1.00 20.82 N ATOM 202 N TRP A 28 34.677 41.154 13.741 1.00 19.20 N ATOM 203 CA TRP A 28 34.904 39.909 14.501 1.00 15.43 C ATOM 204 C TRP A 28 35.796 38.948 13.729 1.00 15.47 C ATOM 205 O TRP A 28 36.619 38.300 14.407 1.00 17.35 O ATOM 206 CB TRP A 28 33.591 39.247 14.878 1.00 14.23 C ATOM 207 CG TRP A 28 32.708 40.086 15.735 1.00 14.53 C ATOM 208 CD1 TRP A 28 31.577 40.730 15.342 1.00 14.68 C ATOM 209 CD2 TRP A 28 32.896 40.363 17.139 1.00 16.02 C ATOM 210 NE1 TRP A 28 31.052 41.412 16.438 1.00 19.84 N ATOM 211 CE2 TRP A 28 31.819 41.189 17.529 1.00 22.40 C ATOM 212 CE3 TRP A 28 33.852 40.004 18.079 1.00 17.39 C ATOM 213 CZ2 TRP A 28 31.653 41.647 18.833 1.00 18.70 C ATOM 214 CZ3 TRP A 28 33.696 40.435 19.392 1.00 17.11 C ATOM 215 CH2 TRP A 28 32.626 41.252 19.761 1.00 18.25 C ATOM 216 N VAL A 29 35.681 38.893 12.422 1.00 17.47 N ATOM 217 CA VAL A 29 36.590 37.999 11.635 1.00 16.18 C ATOM 218 C VAL A 29 37.989 38.616 11.623 1.00 21.83 C ATOM 219 O VAL A 29 38.945 37.851 11.831 1.00 15.33 O ATOM 220 CB VAL A 29 36.020 37.689 10.245 1.00 11.64 C ATOM 221 CG1 VAL A 29 36.946 36.831 9.385 1.00 13.07 C ATOM 222 CG2 VAL A 29 34.624 37.053 10.327 1.00 14.43 C ATOM 223 N CYS A 30 38.178 39.905 11.438 1.00 17.07 N ATOM 224 CA CYS A 30 39.516 40.546 11.456 1.00 13.49 C ATOM 225 C CYS A 30 40.239 40.324 12.769 1.00 16.09 C ATOM 226 O CYS A 30 41.421 39.952 12.788 1.00 19.18 O ATOM 227 CB CYS A 30 39.295 42.014 11.149 1.00 18.53 C ATOM 228 SG CYS A 30 40.855 42.922 11.109 1.00 19.81 S ATOM 229 N LEU A 31 39.564 40.552 13.885 1.00 14.82 N ATOM 230 CA LEU A 31 40.104 40.373 15.252 1.00 15.25 C ATOM 231 C LEU A 31 40.541 38.934 15.502 1.00 13.39 C ATOM 232 O LEU A 31 41.604 38.736 16.109 1.00 17.47 O ATOM 233 CB LEU A 31 39.007 40.918 16.150 1.00 19.20 C ATOM 234 CG LEU A 31 38.288 40.446 17.361 1.00 27.64 C ATOM 235 CD1 LEU A 31 39.129 39.753 18.402 1.00 27.89 C ATOM 236 CD2 LEU A 31 37.679 41.715 18.044 1.00 37.76 C ATOM 237 N SER A 32 39.714 37.969 15.103 1.00 16.62 N ATOM 238 CA SER A 32 40.018 36.544 15.296 1.00 14.42 C ATOM 239 C SER A 32 41.284 36.184 14.504 1.00 16.48 C ATOM 240 O SER A 32 42.169 35.458 15.000 1.00 20.99 O ATOM 241 CB SER A 32 38.824 35.664 14.909 1.00 13.54 C ATOM 242 OG SER A 32 37.707 35.861 15.735 1.00 24.15 O ATOM 243 N LYS A 33 41.359 36.675 13.276 1.00 18.15 N ATOM 244 CA LYS A 33 42.505 36.430 12.411 1.00 19.13 C ATOM 245 C LYS A 33 43.830 36.878 13.039 1.00 26.34 C ATOM 246 O LYS A 33 44.785 36.068 13.043 1.00 23.00 O ATOM 247 CB LYS A 33 42.339 37.133 11.060 1.00 17.27 C ATOM 248 CG LYS A 33 43.335 36.496 10.079 1.00 22.75 C ATOM 249 CD LYS A 33 44.542 37.368 9.955 1.00 37.18 C ATOM 250 CE LYS A 33 45.309 36.992 8.687 1.00 42.28 C ATOM 251 NZ LYS A 33 46.668 37.606 8.821 1.00 38.99 N ATOM 252 N TRP A 34 43.971 38.096 13.542 1.00 14.50 N ATOM 253 CA TRP A 34 45.152 38.690 14.140 1.00 14.84 C ATOM 254 C TRP A 34 45.391 38.237 15.578 1.00 18.89 C ATOM 255 O TRP A 34 46.570 38.160 15.954 1.00 31.24 O ATOM 256 CB TRP A 34 45.060 40.226 14.079 1.00 16.79 C ATOM 257 CG TRP A 34 44.931 40.625 12.644 1.00 13.24 C ATOM 258 CD1 TRP A 34 43.840 41.004 11.917 1.00 18.04 C ATOM 259 CD2 TRP A 34 46.030 40.695 11.742 1.00 27.30 C ATOM 260 NE1 TRP A 34 44.189 41.319 10.637 1.00 21.34 N ATOM 261 CE2 TRP A 34 45.522 41.126 10.493 1.00 25.23 C ATOM 262 CE3 TRP A 34 47.401 40.446 11.905 1.00 29.47 C ATOM 263 CZ2 TRP A 34 46.362 41.313 9.398 1.00 32.48 C ATOM 264 CZ3 TRP A 34 48.224 40.612 10.798 1.00 30.08 C ATOM 265 CH2 TRP A 34 47.715 41.040 9.572 1.00 37.96 C ATOM 266 N GLU A 35 44.344 37.925 16.332 1.00 20.52 N ATOM 267 CA GLU A 35 44.556 37.432 17.696 1.00 17.07 C ATOM 268 C GLU A 35 44.952 35.966 17.749 1.00 18.13 C ATOM 269 O GLU A 35 45.798 35.591 18.576 1.00 22.49 O ATOM 270 CB GLU A 35 43.312 37.520 18.547 1.00 13.10 C ATOM 271 CG GLU A 35 42.872 38.875 19.033 1.00 15.22 C ATOM 272 CD GLU A 35 43.803 39.509 20.033 1.00 23.48 C ATOM 273 OE1 GLU A 35 44.793 39.061 20.572 1.00 24.84 O ATOM 274 OE2 GLU A 35 43.394 40.660 20.290 1.00 27.90 O ATOM 275 N SER A 36 44.372 35.092 16.951 1.00 19.24 N ATOM 276 CA SER A 36 44.715 33.660 17.051 1.00 20.74 C ATOM 277 C SER A 36 44.936 32.871 15.793 1.00 27.03 C ATOM 278 O SER A 36 45.170 31.662 15.926 1.00 24.24 O ATOM 279 CB SER A 36 43.516 33.021 17.788 1.00 13.21 C ATOM 280 OG SER A 36 42.395 33.202 16.909 1.00 14.40 O ATOM 281 N SER A 37 44.800 33.458 14.631 1.00 18.97 N ATOM 282 CA SER A 37 44.867 32.823 13.327 1.00 14.56 C ATOM 283 C SER A 37 43.816 31.747 13.214 1.00 18.37 C ATOM 284 O SER A 37 43.994 30.677 12.631 1.00 23.80 O ATOM 285 CB SER A 37 46.193 32.149 13.031 1.00 24.97 C ATOM 286 OG SER A 37 47.172 33.155 13.244 1.00 36.58 O ATOM 287 N TYR A 38 42.686 32.097 13.814 1.00 14.59 N ATOM 288 CA TYR A 38 41.477 31.247 13.807 1.00 15.98 C ATOM 289 C TYR A 38 41.560 29.913 14.539 1.00 16.88 C ATOM 290 O TYR A 38 40.790 28.981 14.272 1.00 18.71 O ATOM 291 CB TYR A 38 41.118 30.984 12.336 1.00 18.24 C ATOM 292 CG TYR A 38 40.954 32.186 11.442 1.00 19.50 C ATOM 293 CD1 TYR A 38 40.141 33.265 11.795 1.00 16.21 C ATOM 294 CD2 TYR A 38 41.637 32.221 10.210 1.00 17.24 C ATOM 295 CE1 TYR A 38 39.976 34.382 10.958 1.00 14.68 C ATOM 296 CE2 TYR A 38 41.474 33.314 9.357 1.00 25.64 C ATOM 297 CZ TYR A 38 40.631 34.364 9.735 1.00 18.95 C ATOM 298 OH TYR A 38 40.485 35.408 8.861 1.00 19.90 O ATOM 299 N ASN A 39 42.483 29.817 15.481 1.00 16.52 N ATOM 300 CA ASN A 39 42.771 28.630 16.276 1.00 17.93 C ATOM 301 C ASN A 39 42.127 28.722 17.649 1.00 16.69 C ATOM 302 O ASN A 39 42.626 29.487 18.503 1.00 18.90 O ATOM 303 CB ASN A 39 44.311 28.426 16.376 1.00 21.10 C ATOM 304 CG ASN A 39 44.708 27.098 17.016 1.00 15.53 C ATOM 305 OD1 ASN A 39 43.856 26.232 17.336 1.00 16.24 O ATOM 306 ND2 ASN A 39 45.989 26.877 17.225 1.00 18.72 N ATOM 307 N THR A 40 41.069 27.931 17.847 1.00 17.20 N ATOM 308 CA THR A 40 40.416 27.919 19.181 1.00 21.99 C ATOM 309 C THR A 40 41.363 27.498 20.304 1.00 22.36 C ATOM 310 O THR A 40 41.053 27.794 21.481 1.00 18.45 O ATOM 311 CB THR A 40 39.093 27.038 19.169 1.00 17.69 C ATOM 312 OG1 THR A 40 39.475 25.629 19.107 1.00 17.20 O ATOM 313 CG2 THR A 40 38.156 27.355 18.014 1.00 15.83 C ATOM 314 N GLN A 41 42.472 26.818 20.086 1.00 22.21 N ATOM 315 CA GLN A 41 43.398 26.326 21.112 1.00 20.68 C ATOM 316 C GLN A 41 44.542 27.287 21.397 1.00 22.06 C ATOM 317 O GLN A 41 45.432 26.923 22.197 1.00 26.66 O ATOM 318 CB GLN A 41 43.945 24.916 20.723 1.00 16.04 C ATOM 319 CG GLN A 41 42.786 23.925 20.535 1.00 19.17 C ATOM 320 CD GLN A 41 43.314 22.487 20.522 1.00 16.62 C ATOM 321 OE1 GLN A 41 43.489 21.880 19.445 1.00 23.15 O ATOM 322 NE2 GLN A 41 43.559 22.039 21.749 1.00 15.91 N ATOM 323 N ALA A 42 44.521 28.441 20.734 1.00 15.57 N ATOM 324 CA ALA A 42 45.624 29.377 21.003 1.00 19.08 C ATOM 325 C ALA A 42 45.647 29.857 22.448 1.00 19.97 C ATOM 326 O ALA A 42 44.671 30.269 23.083 1.00 20.23 O ATOM 327 CB ALA A 42 45.523 30.580 20.065 1.00 18.66 C ATOM 328 N THR A 43 46.852 29.866 23.002 1.00 19.83 N ATOM 329 CA THR A 43 47.192 30.368 24.344 1.00 22.03 C ATOM 330 C THR A 43 48.453 31.254 24.225 1.00 26.32 C ATOM 331 O THR A 43 49.402 31.061 23.443 1.00 27.11 O ATOM 332 CB THR A 43 47.374 29.300 25.478 1.00 20.33 C ATOM 333 OG1 THR A 43 48.535 28.480 25.160 1.00 23.85 O ATOM 334 CG2 THR A 43 46.080 28.471 25.671 1.00 17.59 C ATOM 335 N ASN A 44 48.433 32.296 25.039 1.00 23.32 N ATOM 336 CA ASN A 44 49.514 33.302 25.080 1.00 20.22 C ATOM 337 C ASN A 44 49.689 33.812 26.494 1.00 25.40 C ATOM 338 O ASN A 44 48.812 34.522 27.006 1.00 20.71 O ATOM 339 CB ASN A 44 49.174 34.412 24.077 1.00 28.53 C ATOM 340 CG ASN A 44 50.355 35.367 23.966 1.00 64.79 C ATOM 341 OD1 ASN A 44 51.317 34.895 23.319 1.00 71.58 O ATOM 342 ND2 ASN A 44 50.300 36.554 24.582 1.00 37.98 N ATOM 343 N ARG A 45 50.770 33.471 27.125 1.00 21.06 N ATOM 344 CA ARG A 45 50.969 33.919 28.533 1.00 20.92 C ATOM 345 C ARG A 45 51.578 35.303 28.557 1.00 31.68 C ATOM 346 O ARG A 45 52.454 35.683 27.739 1.00 29.58 O ATOM 347 CB ARG A 45 51.737 32.778 29.191 1.00 37.15 C ATOM 348 CG ARG A 45 52.382 33.085 30.521 1.00 36.18 C ATOM 349 CD ARG A 45 51.475 32.935 31.687 1.00 37.19 C ATOM 350 NE ARG A 45 52.229 32.386 32.820 1.00 51.39 N ATOM 351 CZ ARG A 45 52.575 31.081 32.847 1.00 70.48 C ATOM 352 NH1 ARG A 45 52.788 30.371 31.727 1.00 41.12 N ATOM 353 NH2 ARG A 45 52.650 30.534 34.075 1.00 57.89 N ATOM 354 N ASN A 46 51.111 36.113 29.505 1.00 29.11 N ATOM 355 CA ASN A 46 51.603 37.505 29.629 1.00 27.51 C ATOM 356 C ASN A 46 52.540 37.714 30.814 1.00 30.10 C ATOM 357 O ASN A 46 52.545 36.951 31.792 1.00 30.96 O ATOM 358 CB ASN A 46 50.436 38.490 29.737 1.00 26.33 C ATOM 359 CG ASN A 46 49.567 38.435 28.483 1.00 30.40 C ATOM 360 OD1 ASN A 46 48.396 38.031 28.642 1.00 36.06 O ATOM 361 ND2 ASN A 46 50.074 38.764 27.308 1.00 39.03 N ATOM 362 N THR A 47 53.244 38.820 30.646 1.00 39.37 N ATOM 363 CA THR A 47 54.247 39.286 31.609 1.00 29.14 C ATOM 364 C THR A 47 53.703 39.457 33.013 1.00 34.00 C ATOM 365 O THR A 47 54.413 39.305 34.001 1.00 43.49 O ATOM 366 CB THR A 47 54.901 40.667 31.190 1.00 36.81 C ATOM 367 OG1 THR A 47 53.840 41.637 31.524 1.00 52.71 O ATOM 368 CG2 THR A 47 55.371 40.752 29.740 1.00 48.42 C ATOM 369 N ASP A 48 52.434 39.756 33.077 1.00 42.86 N ATOM 370 CA ASP A 48 51.693 39.977 34.333 1.00 28.63 C ATOM 371 C ASP A 48 51.090 38.735 34.990 1.00 27.25 C ATOM 372 O ASP A 48 50.342 38.862 36.003 1.00 35.97 O ATOM 373 CB ASP A 48 50.642 41.039 33.943 1.00 34.82 C ATOM 374 CG ASP A 48 49.451 40.440 33.203 1.00 41.10 C ATOM 375 OD1 ASP A 48 49.493 39.339 32.639 1.00 30.73 O ATOM 376 OD2 ASP A 48 48.438 41.179 33.271 1.00 45.08 O ATOM 377 N GLY A 49 51.344 37.553 34.413 1.00 32.01 N ATOM 378 CA GLY A 49 50.801 36.327 35.022 1.00 30.70 C ATOM 379 C GLY A 49 49.482 35.890 34.413 1.00 26.40 C ATOM 380 O GLY A 49 49.032 34.764 34.726 1.00 29.32 O ATOM 381 N SER A 50 48.940 36.771 33.593 1.00 30.34 N ATOM 382 CA SER A 50 47.675 36.435 32.913 1.00 31.17 C ATOM 383 C SER A 50 47.988 35.681 31.607 1.00 25.26 C ATOM 384 O SER A 50 49.122 35.678 31.101 1.00 23.24 O ATOM 385 CB SER A 50 46.809 37.639 32.624 1.00 15.04 C ATOM 386 OG SER A 50 47.375 38.383 31.547 1.00 20.52 O ATOM 387 N THR A 51 46.934 35.025 31.114 1.00 19.93 N ATOM 388 CA THR A 51 47.050 34.272 29.859 1.00 23.23 C ATOM 389 C THR A 51 45.858 34.659 28.984 1.00 16.89 C ATOM 390 O THR A 51 44.786 34.891 29.589 1.00 19.66 O ATOM 391 CB THR A 51 47.148 32.707 30.011 1.00 23.37 C ATOM 392 OG1 THR A 51 48.236 32.420 30.950 1.00 27.45 O ATOM 393 CG2 THR A 51 47.388 31.917 28.697 1.00 14.78 C ATOM 394 N ASP A 52 46.053 34.657 27.687 1.00 18.29 N ATOM 395 CA ASP A 52 45.030 34.912 26.663 1.00 19.70 C ATOM 396 C ASP A 52 44.577 33.537 26.118 1.00 16.85 C ATOM 397 O ASP A 52 45.436 32.697 25.793 1.00 19.08 O ATOM 398 CB ASP A 52 45.485 35.848 25.546 1.00 18.12 C ATOM 399 CG ASP A 52 45.884 37.186 26.159 1.00 23.37 C ATOM 400 OD1 ASP A 52 45.350 37.725 27.131 1.00 22.35 O ATOM 401 OD2 ASP A 52 46.817 37.754 25.623 1.00 29.12 O ATOM 402 N TYR A 53 43.252 33.346 26.048 1.00 17.69 N ATOM 403 CA TYR A 53 42.651 32.076 25.663 1.00 17.22 C ATOM 404 C TYR A 53 41.708 32.096 24.477 1.00 20.52 C ATOM 405 O TYR A 53 40.775 32.925 24.399 1.00 17.28 O ATOM 406 CB TYR A 53 41.874 31.544 26.910 1.00 18.60 C ATOM 407 CG TYR A 53 42.770 31.154 28.068 1.00 19.20 C ATOM 408 CD1 TYR A 53 43.301 29.846 28.074 1.00 20.20 C ATOM 409 CD2 TYR A 53 43.072 32.013 29.121 1.00 12.68 C ATOM 410 CE1 TYR A 53 44.121 29.383 29.106 1.00 11.03 C ATOM 411 CE2 TYR A 53 43.912 31.573 30.146 1.00 12.39 C ATOM 412 CZ TYR A 53 44.436 30.280 30.140 1.00 13.96 C ATOM 413 OH TYR A 53 45.253 29.879 31.164 1.00 18.40 O ATOM 414 N GLY A 54 41.953 31.137 23.591 1.00 20.04 N ATOM 415 CA GLY A 54 41.094 30.926 22.435 1.00 14.61 C ATOM 416 C GLY A 54 41.205 31.802 21.228 1.00 16.27 C ATOM 417 O GLY A 54 42.150 32.589 20.980 1.00 16.81 O ATOM 418 N ILE A 55 40.198 31.643 20.398 1.00 20.86 N ATOM 419 CA ILE A 55 40.047 32.336 19.109 1.00 16.30 C ATOM 420 C ILE A 55 40.022 33.865 19.258 1.00 19.90 C ATOM 421 O ILE A 55 40.539 34.567 18.372 1.00 18.04 O ATOM 422 CB ILE A 55 38.809 31.709 18.368 1.00 14.45 C ATOM 423 CG1 ILE A 55 39.201 31.820 16.882 1.00 15.23 C ATOM 424 CG2 ILE A 55 37.441 32.339 18.705 1.00 12.79 C ATOM 425 CD1 ILE A 55 38.291 31.058 15.883 1.00 24.05 C ATOM 426 N PHE A 56 39.461 34.378 20.339 1.00 20.41 N ATOM 427 CA PHE A 56 39.341 35.796 20.637 1.00 15.41 C ATOM 428 C PHE A 56 40.384 36.237 21.661 1.00 20.94 C ATOM 429 O PHE A 56 40.361 37.401 22.082 1.00 24.64 O ATOM 430 CB PHE A 56 37.958 36.155 21.181 1.00 12.62 C ATOM 431 CG PHE A 56 36.783 35.743 20.324 1.00 14.61 C ATOM 432 CD1 PHE A 56 36.711 36.220 19.015 1.00 20.39 C ATOM 433 CD2 PHE A 56 35.797 34.896 20.817 1.00 15.68 C ATOM 434 CE1 PHE A 56 35.658 35.875 18.192 1.00 23.63 C ATOM 435 CE2 PHE A 56 34.724 34.529 20.022 1.00 15.02 C ATOM 436 CZ PHE A 56 34.673 35.033 18.730 1.00 18.27 C ATOM 437 N GLN A 57 41.267 35.340 22.052 1.00 13.70 N ATOM 438 CA GLN A 57 42.324 35.608 23.031 1.00 15.86 C ATOM 439 C GLN A 57 41.774 36.388 24.209 1.00 24.78 C ATOM 440 O GLN A 57 42.244 37.486 24.518 1.00 22.20 O ATOM 441 CB GLN A 57 43.549 36.340 22.389 1.00 12.09 C ATOM 442 CG GLN A 57 44.290 35.455 21.369 1.00 12.33 C ATOM 443 CD GLN A 57 45.140 34.463 22.150 1.00 19.61 C ATOM 444 OE1 GLN A 57 46.235 34.862 22.544 1.00 21.84 O ATOM 445 NE2 GLN A 57 44.547 33.270 22.364 1.00 19.06 N ATOM 446 N ILE A 58 40.834 35.892 24.945 1.00 16.71 N ATOM 447 CA ILE A 58 40.244 36.496 26.155 1.00 16.67 C ATOM 448 C ILE A 58 41.188 36.278 27.335 1.00 17.36 C ATOM 449 O ILE A 58 41.724 35.206 27.643 1.00 15.75 O ATOM 450 CB ILE A 58 38.786 35.966 26.372 1.00 15.29 C ATOM 451 CG1 ILE A 58 37.879 36.483 25.212 1.00 16.75 C ATOM 452 CG2 ILE A 58 38.295 36.317 27.799 1.00 17.90 C ATOM 453 CD1 ILE A 58 36.471 35.775 25.179 1.00 21.22 C ATOM 454 N ASN A 59 41.448 37.361 28.067 1.00 18.61 N ATOM 455 CA ASN A 59 42.442 37.408 29.168 1.00 16.62 C ATOM 456 C ASN A 59 41.940 36.959 30.508 1.00 16.77 C ATOM 457 O ASN A 59 40.812 37.297 30.941 1.00 20.14 O ATOM 458 CB ASN A 59 42.996 38.851 29.203 1.00 21.18 C ATOM 459 CG ASN A 59 44.104 39.001 30.232 1.00 21.06 C ATOM 460 OD1 ASN A 59 43.861 39.441 31.386 1.00 26.47 O ATOM 461 ND2 ASN A 59 45.280 38.576 29.765 1.00 21.28 N ATOM 462 N SER A 60 42.790 36.179 31.168 1.00 15.61 N ATOM 463 CA SER A 60 42.475 35.574 32.481 1.00 18.74 C ATOM 464 C SER A 60 42.497 36.540 33.662 1.00 24.97 C ATOM 465 O SER A 60 42.068 36.073 34.754 1.00 18.80 O ATOM 466 CB SER A 60 43.426 34.422 32.816 1.00 15.63 C ATOM 467 OG SER A 60 44.775 34.849 32.847 1.00 17.55 O ATOM 468 N ARG A 61 42.932 37.779 33.488 1.00 25.89 N ATOM 469 CA ARG A 61 42.864 38.672 34.658 1.00 21.90 C ATOM 470 C ARG A 61 41.431 39.151 34.928 1.00 17.75 C ATOM 471 O ARG A 61 41.064 39.353 36.111 1.00 24.70 O ATOM 472 CB ARG A 61 43.807 39.869 34.502 1.00 26.87 C ATOM 473 CG ARG A 61 43.770 40.507 35.916 1.00 31.42 C ATOM 474 CD ARG A 61 45.051 41.238 36.039 1.00 43.84 C ATOM 475 NE ARG A 61 44.753 42.626 35.658 1.00 65.75 N ATOM 476 CZ ARG A 61 44.766 43.546 36.646 1.00 73.41 C ATOM 477 NH1 ARG A 61 44.162 43.309 37.814 1.00 73.06 N ATOM 478 NH2 ARG A 61 45.454 44.670 36.395 1.00 73.41 N ATOM 479 N TYR A 62 40.620 39.334 33.859 1.00 20.76 N ATOM 480 CA TYR A 62 39.263 39.803 34.148 1.00 20.92 C ATOM 481 C TYR A 62 38.118 38.905 33.773 1.00 17.40 C ATOM 482 O TYR A 62 37.085 39.072 34.439 1.00 23.89 O ATOM 483 CB TYR A 62 38.950 41.116 33.378 1.00 24.28 C ATOM 484 CG TYR A 62 40.117 42.074 33.437 1.00 37.80 C ATOM 485 CD1 TYR A 62 40.276 43.009 34.469 1.00 34.87 C ATOM 486 CD2 TYR A 62 41.110 42.016 32.444 1.00 40.58 C ATOM 487 CE1 TYR A 62 41.391 43.867 34.494 1.00 40.97 C ATOM 488 CE2 TYR A 62 42.223 42.866 32.468 1.00 46.42 C ATOM 489 CZ TYR A 62 42.356 43.803 33.497 1.00 64.55 C ATOM 490 OH TYR A 62 43.422 44.672 33.562 1.00 61.23 O ATOM 491 N TRP A 63 38.281 38.078 32.757 1.00 17.57 N ATOM 492 CA TRP A 63 37.125 37.321 32.301 1.00 12.68 C ATOM 493 C TRP A 63 36.974 35.858 32.619 1.00 16.73 C ATOM 494 O TRP A 63 35.772 35.475 32.595 1.00 17.43 O ATOM 495 CB TRP A 63 37.165 37.470 30.732 1.00 14.61 C ATOM 496 CG TRP A 63 37.297 38.918 30.372 1.00 26.43 C ATOM 497 CD1 TRP A 63 38.397 39.547 29.871 1.00 16.79 C ATOM 498 CD2 TRP A 63 36.277 39.932 30.474 1.00 19.25 C ATOM 499 NE1 TRP A 63 38.163 40.889 29.649 1.00 19.74 N ATOM 500 CE2 TRP A 63 36.865 41.137 30.025 1.00 31.43 C ATOM 501 CE3 TRP A 63 34.942 39.888 30.924 1.00 15.71 C ATOM 502 CZ2 TRP A 63 36.183 42.355 30.006 1.00 15.98 C ATOM 503 CZ3 TRP A 63 34.260 41.101 30.896 1.00 19.82 C ATOM 504 CH2 TRP A 63 34.842 42.279 30.427 1.00 18.10 C ATOM 505 N CYS A 64 38.016 35.073 32.808 1.00 22.86 N ATOM 506 CA CYS A 64 37.792 33.620 33.034 1.00 17.28 C ATOM 507 C CYS A 64 38.713 33.151 34.144 1.00 17.61 C ATOM 508 O CYS A 64 39.722 33.863 34.379 1.00 19.60 O ATOM 509 CB CYS A 64 38.008 32.838 31.736 1.00 13.15 C ATOM 510 SG CYS A 64 39.654 33.050 30.975 1.00 19.24 S ATOM 511 N ASP A 65 38.487 32.073 34.736 1.00 14.20 N ATOM 512 CA ASP A 65 39.340 31.581 35.821 1.00 17.13 C ATOM 513 C ASP A 65 40.293 30.489 35.315 1.00 21.18 C ATOM 514 O ASP A 65 39.862 29.438 34.841 1.00 22.17 O ATOM 515 CB ASP A 65 38.463 30.983 36.913 1.00 16.12 C ATOM 516 CG ASP A 65 39.281 30.277 37.978 1.00 24.03 C ATOM 517 OD1 ASP A 65 40.378 30.810 38.394 1.00 20.00 O ATOM 518 OD2 ASP A 65 38.879 29.156 38.458 1.00 41.23 O ATOM 519 N ASP A 66 41.639 30.752 35.415 1.00 17.59 N ATOM 520 CA ASP A 66 42.580 29.678 34.969 1.00 19.64 C ATOM 521 C ASP A 66 43.344 29.102 36.178 1.00 25.24 C ATOM 522 O ASP A 66 44.227 28.247 36.035 1.00 28.22 O ATOM 523 CB ASP A 66 43.513 30.154 33.876 1.00 17.32 C ATOM 524 CG ASP A 66 44.554 31.182 34.278 1.00 14.19 C ATOM 525 OD1 ASP A 66 44.548 31.640 35.431 1.00 23.56 O ATOM 526 OD2 ASP A 66 45.377 31.527 33.392 1.00 21.09 O ATOM 527 N GLY A 67 43.021 29.609 37.358 1.00 22.37 N ATOM 528 CA GLY A 67 43.557 29.227 38.633 1.00 23.51 C ATOM 529 C GLY A 67 44.990 29.559 38.914 1.00 19.55 C ATOM 530 O GLY A 67 45.532 29.092 39.942 1.00 28.98 O ATOM 531 N ARG A 68 45.625 30.346 38.082 1.00 18.12 N ATOM 532 CA ARG A 68 47.048 30.713 38.276 1.00 24.78 C ATOM 533 C ARG A 68 47.348 32.180 37.999 1.00 29.05 C ATOM 534 O ARG A 68 48.518 32.595 37.825 1.00 47.52 O ATOM 535 CB ARG A 68 47.942 29.840 37.385 1.00 18.83 C ATOM 536 CG ARG A 68 47.798 30.162 35.906 1.00 20.37 C ATOM 537 CD ARG A 68 49.087 29.716 35.280 1.00 22.07 C ATOM 538 NE ARG A 68 49.147 30.114 33.882 1.00 30.23 N ATOM 539 CZ ARG A 68 49.781 29.462 32.895 1.00 63.94 C ATOM 540 NH1 ARG A 68 50.446 28.333 33.165 1.00 28.66 N ATOM 541 NH2 ARG A 68 49.832 29.871 31.614 1.00 26.58 N ATOM 542 N THR A 69 46.252 32.939 37.929 1.00 26.09 N ATOM 543 CA THR A 69 46.328 34.368 37.664 1.00 21.92 C ATOM 544 C THR A 69 45.992 35.133 38.955 1.00 23.06 C ATOM 545 O THR A 69 44.914 34.973 39.553 1.00 35.13 O ATOM 546 CB THR A 69 45.412 34.919 36.506 1.00 21.30 C ATOM 547 OG1 THR A 69 45.599 33.985 35.421 1.00 19.19 O ATOM 548 CG2 THR A 69 45.753 36.379 36.142 1.00 20.87 C ATOM 549 N PRO A 70 46.943 35.974 39.306 1.00 38.33 N ATOM 550 CA PRO A 70 46.801 36.856 40.465 1.00 50.58 C ATOM 551 C PRO A 70 45.849 38.022 40.199 1.00 26.18 C ATOM 552 O PRO A 70 45.870 38.723 39.157 1.00 37.94 O ATOM 553 CB PRO A 70 48.245 37.237 40.771 1.00 46.30 C ATOM 554 CG PRO A 70 49.024 37.083 39.500 1.00 65.12 C ATOM 555 CD PRO A 70 48.218 36.173 38.592 1.00 41.74 C ATOM 556 N GLY A 71 44.960 38.244 41.159 1.00 41.05 N ATOM 557 CA GLY A 71 43.936 39.292 41.189 1.00 38.93 C ATOM 558 C GLY A 71 42.961 39.114 40.035 1.00 39.88 C ATOM 559 O GLY A 71 42.719 40.076 39.301 1.00 50.43 O ATOM 560 N ALA A 72 42.448 37.895 39.929 1.00 25.87 N ATOM 561 CA ALA A 72 41.573 37.592 38.789 1.00 27.89 C ATOM 562 C ALA A 72 40.130 37.770 39.222 1.00 35.60 C ATOM 563 O ALA A 72 39.808 37.410 40.372 1.00 32.67 O ATOM 564 CB ALA A 72 41.829 36.189 38.261 1.00 25.33 C ATOM 565 N LYS A 73 39.349 38.251 38.246 1.00 31.77 N ATOM 566 CA LYS A 73 37.921 38.496 38.544 1.00 22.35 C ATOM 567 C LYS A 73 36.923 37.586 37.847 1.00 31.32 C ATOM 568 O LYS A 73 35.767 37.632 38.361 1.00 45.53 O ATOM 569 CB LYS A 73 37.564 39.978 38.232 1.00 28.25 C ATOM 570 CG LYS A 73 38.159 40.858 39.360 1.00 45.46 C ATOM 571 CD LYS A 73 38.928 42.074 38.895 1.00 73.41 C ATOM 572 CE LYS A 73 39.922 41.800 37.784 1.00 73.41 C ATOM 573 NZ LYS A 73 41.298 41.515 38.266 1.00 50.36 N ATOM 574 N ASN A 74 37.247 36.823 36.832 1.00 29.49 N ATOM 575 CA ASN A 74 36.208 35.915 36.246 1.00 19.76 C ATOM 576 C ASN A 74 34.813 36.506 36.040 1.00 13.81 C ATOM 577 O ASN A 74 33.804 36.024 36.608 1.00 20.33 O ATOM 578 CB ASN A 74 36.124 34.628 37.116 1.00 16.77 C ATOM 579 CG ASN A 74 35.488 33.513 36.339 1.00 15.98 C ATOM 580 OD1 ASN A 74 35.333 33.667 35.106 1.00 24.86 O ATOM 581 ND2 ASN A 74 35.049 32.408 36.939 1.00 22.18 N ATOM 582 N VAL A 75 34.762 37.526 35.195 1.00 18.75 N ATOM 583 CA VAL A 75 33.452 38.165 34.899 1.00 22.25 C ATOM 584 C VAL A 75 32.581 37.287 34.003 1.00 28.32 C ATOM 585 O VAL A 75 31.333 37.328 34.182 1.00 23.54 O ATOM 586 CB VAL A 75 33.737 39.584 34.367 1.00 23.33 C ATOM 587 CG1 VAL A 75 32.595 40.199 33.587 1.00 24.02 C ATOM 588 CG2 VAL A 75 34.149 40.451 35.554 1.00 23.98 C ATOM 589 N CYS A 76 33.130 36.491 33.103 1.00 19.56 N ATOM 590 CA CYS A 76 32.300 35.622 32.265 1.00 19.77 C ATOM 591 C CYS A 76 31.828 34.411 33.072 1.00 17.87 C ATOM 592 O CYS A 76 30.899 33.724 32.587 1.00 22.54 O ATOM 593 CB CYS A 76 33.012 35.157 31.030 1.00 20.52 C ATOM 594 SG CYS A 76 33.147 36.526 29.838 1.00 22.76 S ATOM 595 N GLY A 77 32.435 34.206 34.214 1.00 16.78 N ATOM 596 CA GLY A 77 31.983 33.113 35.108 1.00 17.41 C ATOM 597 C GLY A 77 32.284 31.749 34.544 1.00 20.20 C ATOM 598 O GLY A 77 31.427 30.862 34.731 1.00 23.15 O ATOM 599 N ILE A 78 33.452 31.621 33.908 1.00 25.91 N ATOM 600 CA ILE A 78 33.795 30.320 33.324 1.00 16.52 C ATOM 601 C ILE A 78 35.219 29.959 33.698 1.00 18.40 C ATOM 602 O ILE A 78 35.974 30.810 34.196 1.00 24.23 O ATOM 603 CB ILE A 78 33.593 30.354 31.763 1.00 18.01 C ATOM 604 CG1 ILE A 78 34.330 31.619 31.277 1.00 13.96 C ATOM 605 CG2 ILE A 78 32.111 30.278 31.315 1.00 15.78 C ATOM 606 CD1 ILE A 78 34.681 31.644 29.776 1.00 17.21 C ATOM 607 N ARG A 79 35.577 28.743 33.381 1.00 19.71 N ATOM 608 CA ARG A 79 36.946 28.249 33.463 1.00 20.98 C ATOM 609 C ARG A 79 37.579 28.698 32.135 1.00 17.53 C ATOM 610 O ARG A 79 36.849 28.563 31.112 1.00 16.96 O ATOM 611 CB ARG A 79 37.090 26.758 33.582 1.00 27.41 C ATOM 612 CG ARG A 79 36.408 26.079 34.763 1.00 27.81 C ATOM 613 CD ARG A 79 37.369 26.331 35.888 1.00 20.78 C ATOM 614 NE ARG A 79 37.107 25.229 36.829 1.00 30.09 N ATOM 615 CZ ARG A 79 37.304 25.432 38.144 1.00 47.25 C ATOM 616 NH1 ARG A 79 37.934 26.485 38.673 1.00 49.38 N ATOM 617 NH2 ARG A 79 36.803 24.486 38.959 1.00 45.80 N ATOM 618 N CYS A 80 38.806 29.159 32.024 1.00 15.70 N ATOM 619 CA CYS A 80 39.385 29.536 30.744 1.00 9.57 C ATOM 620 C CYS A 80 39.521 28.366 29.760 1.00 15.85 C ATOM 621 O CYS A 80 39.535 28.678 28.550 1.00 16.82 O ATOM 622 CB CYS A 80 40.742 30.194 30.962 1.00 12.10 C ATOM 623 SG CYS A 80 40.783 31.704 31.956 1.00 19.30 S ATOM 624 N SER A 81 39.574 27.134 30.232 1.00 17.96 N ATOM 625 CA SER A 81 39.651 25.953 29.353 1.00 21.90 C ATOM 626 C SER A 81 38.416 25.799 28.476 1.00 20.05 C ATOM 627 O SER A 81 38.527 25.224 27.370 1.00 17.56 O ATOM 628 CB SER A 81 39.900 24.735 30.232 1.00 18.11 C ATOM 629 OG SER A 81 38.812 24.621 31.163 1.00 23.71 O ATOM 630 N GLN A 82 37.265 26.346 28.858 1.00 16.49 N ATOM 631 CA GLN A 82 36.047 26.327 28.050 1.00 14.63 C ATOM 632 C GLN A 82 36.136 27.250 26.834 1.00 17.49 C ATOM 633 O GLN A 82 35.242 27.141 25.972 1.00 20.06 O ATOM 634 CB GLN A 82 34.809 26.753 28.824 1.00 19.77 C ATOM 635 CG GLN A 82 34.666 25.887 30.079 1.00 27.88 C ATOM 636 CD GLN A 82 33.426 26.278 30.856 1.00 38.13 C ATOM 637 OE1 GLN A 82 33.396 26.770 31.986 1.00 35.05 O ATOM 638 NE2 GLN A 82 32.305 26.037 30.167 1.00 32.98 N ATOM 639 N LEU A 83 37.139 28.101 26.777 1.00 14.23 N ATOM 640 CA LEU A 83 37.396 29.017 25.686 1.00 15.83 C ATOM 641 C LEU A 83 38.255 28.358 24.606 1.00 24.09 C ATOM 642 O LEU A 83 38.547 29.010 23.580 1.00 21.96 O ATOM 643 CB LEU A 83 38.077 30.298 26.224 1.00 19.60 C ATOM 644 CG LEU A 83 37.233 31.145 27.170 1.00 22.53 C ATOM 645 CD1 LEU A 83 38.045 32.319 27.703 1.00 18.56 C ATOM 646 CD2 LEU A 83 36.001 31.660 26.431 1.00 14.00 C ATOM 647 N LEU A 84 38.665 27.106 24.856 1.00 23.04 N ATOM 648 CA LEU A 84 39.542 26.448 23.860 1.00 22.29 C ATOM 649 C LEU A 84 38.856 25.323 23.087 1.00 20.66 C ATOM 650 O LEU A 84 39.578 24.678 22.313 1.00 24.58 O ATOM 651 CB LEU A 84 40.802 25.978 24.602 1.00 15.41 C ATOM 652 CG LEU A 84 41.599 26.998 25.385 1.00 17.33 C ATOM 653 CD1 LEU A 84 42.649 26.165 26.144 1.00 26.02 C ATOM 654 CD2 LEU A 84 42.294 28.049 24.540 1.00 14.87 C ATOM 655 N THR A 85 37.576 25.126 23.271 1.00 19.86 N ATOM 656 CA THR A 85 36.873 24.035 22.557 1.00 19.56 C ATOM 657 C THR A 85 36.596 24.354 21.110 1.00 26.17 C ATOM 658 O THR A 85 36.645 25.521 20.674 1.00 20.75 O ATOM 659 CB THR A 85 35.628 23.714 23.449 1.00 16.83 C ATOM 660 OG1 THR A 85 34.767 24.887 23.482 1.00 21.59 O ATOM 661 CG2 THR A 85 36.075 23.287 24.854 1.00 19.53 C ATOM 662 N ASP A 86 36.339 23.281 20.344 1.00 22.52 N ATOM 663 CA ASP A 86 36.100 23.461 18.875 1.00 21.46 C ATOM 664 C ASP A 86 34.764 24.188 18.753 1.00 18.29 C ATOM 665 O ASP A 86 34.581 25.034 17.863 1.00 22.85 O ATOM 666 CB ASP A 86 36.277 22.136 18.160 1.00 22.60 C ATOM 667 CG ASP A 86 37.586 21.380 18.365 1.00 73.41 C ATOM 668 OD1 ASP A 86 38.710 21.927 18.533 1.00 49.29 O ATOM 669 OD2 ASP A 86 37.626 20.121 18.362 1.00 52.37 O ATOM 670 N ASP A 87 33.869 23.870 19.669 1.00 22.12 N ATOM 671 CA ASP A 87 32.536 24.493 19.784 1.00 20.90 C ATOM 672 C ASP A 87 32.760 25.903 20.392 1.00 22.28 C ATOM 673 O ASP A 87 33.309 26.089 21.508 1.00 19.33 O ATOM 674 CB ASP A 87 31.587 23.603 20.565 1.00 18.95 C ATOM 675 CG ASP A 87 30.333 24.330 21.039 1.00 24.06 C ATOM 676 OD1 ASP A 87 29.652 24.921 20.209 1.00 37.86 O ATOM 677 OD2 ASP A 87 30.103 24.286 22.265 1.00 43.70 O ATOM 678 N LEU A 88 32.297 26.883 19.641 1.00 20.68 N ATOM 679 CA LEU A 88 32.497 28.309 19.969 1.00 17.76 C ATOM 680 C LEU A 88 31.459 28.908 20.949 1.00 22.55 C ATOM 681 O LEU A 88 31.572 30.061 21.360 1.00 20.03 O ATOM 682 CB LEU A 88 32.355 29.176 18.707 1.00 23.33 C ATOM 683 CG LEU A 88 33.634 29.306 17.868 1.00 35.04 C ATOM 684 CD1 LEU A 88 34.104 27.974 17.283 1.00 20.00 C ATOM 685 CD2 LEU A 88 33.461 30.244 16.663 1.00 20.00 C ATOM 686 N THR A 89 30.364 28.111 21.334 1.00 15.56 N ATOM 687 CA THR A 89 29.344 28.724 22.177 1.00 17.13 C ATOM 688 C THR A 89 29.765 29.514 23.402 1.00 16.51 C ATOM 689 O THR A 89 29.195 30.612 23.573 1.00 21.59 O ATOM 690 CB THR A 89 28.323 27.602 22.665 1.00 25.21 C ATOM 691 OG1 THR A 89 27.895 26.970 21.432 1.00 23.08 O ATOM 692 CG2 THR A 89 27.211 28.205 23.514 1.00 27.19 C ATOM 693 N VAL A 90 30.632 28.983 24.226 1.00 16.33 N ATOM 694 CA VAL A 90 31.031 29.677 25.453 1.00 18.01 C ATOM 695 C VAL A 90 31.962 30.842 25.064 1.00 19.61 C ATOM 696 O VAL A 90 31.828 31.923 25.706 1.00 19.13 O ATOM 697 CB VAL A 90 31.633 28.714 26.496 1.00 15.76 C ATOM 698 CG1 VAL A 90 32.292 29.414 27.675 1.00 17.57 C ATOM 699 CG2 VAL A 90 30.571 27.720 26.958 1.00 18.77 C ATOM 700 N ALA A 91 32.860 30.707 24.122 1.00 14.58 N ATOM 701 CA ALA A 91 33.729 31.822 23.710 1.00 12.25 C ATOM 702 C ALA A 91 32.880 32.996 23.224 1.00 14.39 C ATOM 703 O ALA A 91 33.187 34.148 23.531 1.00 17.68 O ATOM 704 CB ALA A 91 34.711 31.418 22.618 1.00 12.15 C ATOM 705 N ILE A 92 31.837 32.691 22.461 1.00 15.37 N ATOM 706 CA ILE A 92 30.956 33.733 21.871 1.00 23.16 C ATOM 707 C ILE A 92 30.168 34.414 22.994 1.00 18.42 C ATOM 708 O ILE A 92 30.087 35.665 23.006 1.00 15.68 O ATOM 709 CB ILE A 92 30.064 33.185 20.718 1.00 15.95 C ATOM 710 CG1 ILE A 92 30.970 32.972 19.460 1.00 11.84 C ATOM 711 CG2 ILE A 92 28.846 34.078 20.384 1.00 15.11 C ATOM 712 CD1 ILE A 92 30.228 32.062 18.431 1.00 15.26 C ATOM 713 N ARG A 93 29.660 33.626 23.909 1.00 13.44 N ATOM 714 CA ARG A 93 28.930 34.241 25.005 1.00 20.90 C ATOM 715 C ARG A 93 29.818 35.170 25.799 1.00 21.96 C ATOM 716 O ARG A 93 29.387 36.267 26.217 1.00 17.32 O ATOM 717 CB ARG A 93 28.401 33.077 25.802 1.00 19.62 C ATOM 718 CG ARG A 93 27.828 33.432 27.172 1.00 54.80 C ATOM 719 CD ARG A 93 27.153 32.186 27.689 1.00 56.81 C ATOM 720 NE ARG A 93 26.819 31.413 26.500 1.00 53.23 N ATOM 721 CZ ARG A 93 26.019 30.365 26.357 1.00 73.41 C ATOM 722 NH1 ARG A 93 26.182 29.262 27.101 1.00 54.65 N ATOM 723 NH2 ARG A 93 25.036 30.457 25.436 1.00 50.03 N ATOM 724 N CYS A 94 31.058 34.804 26.054 1.00 21.31 N ATOM 725 CA CYS A 94 31.997 35.637 26.853 1.00 22.16 C ATOM 726 C CYS A 94 32.438 36.856 26.031 1.00 15.97 C ATOM 727 O CYS A 94 32.427 37.972 26.622 1.00 17.60 O ATOM 728 CB CYS A 94 33.129 34.754 27.414 1.00 17.32 C ATOM 729 SG CYS A 94 34.296 35.724 28.405 1.00 18.51 S ATOM 730 N ALA A 95 32.791 36.735 24.765 1.00 16.18 N ATOM 731 CA ALA A 95 33.151 37.844 23.876 1.00 17.51 C ATOM 732 C ALA A 95 32.031 38.886 23.834 1.00 21.28 C ATOM 733 O ALA A 95 32.193 40.108 23.846 1.00 14.93 O ATOM 734 CB ALA A 95 33.438 37.325 22.470 1.00 13.67 C ATOM 735 N LYS A 96 30.769 38.436 23.789 1.00 18.01 N ATOM 736 CA LYS A 96 29.574 39.289 23.829 1.00 20.73 C ATOM 737 C LYS A 96 29.559 40.090 25.144 1.00 27.05 C ATOM 738 O LYS A 96 29.210 41.285 25.116 1.00 21.23 O ATOM 739 CB LYS A 96 28.232 38.571 23.727 1.00 12.24 C ATOM 740 CG LYS A 96 27.966 38.071 22.316 1.00 24.59 C ATOM 741 CD LYS A 96 26.657 37.249 22.276 1.00 22.80 C ATOM 742 CE LYS A 96 26.364 36.758 20.866 1.00 25.69 C ATOM 743 NZ LYS A 96 25.210 35.807 20.830 1.00 28.01 N ATOM 744 N ARG A 97 29.926 39.477 26.253 1.00 16.41 N ATOM 745 CA ARG A 97 29.984 40.135 27.558 1.00 17.37 C ATOM 746 C ARG A 97 31.158 41.138 27.564 1.00 23.97 C ATOM 747 O ARG A 97 31.025 42.281 28.087 1.00 17.01 O ATOM 748 CB ARG A 97 30.088 39.144 28.720 1.00 11.85 C ATOM 749 CG ARG A 97 30.502 39.876 30.029 1.00 18.24 C ATOM 750 CD ARG A 97 29.384 40.780 30.450 1.00 24.43 C ATOM 751 NE ARG A 97 29.668 41.590 31.618 1.00 20.99 N ATOM 752 CZ ARG A 97 30.430 42.699 31.628 1.00 20.34 C ATOM 753 NH1 ARG A 97 30.972 43.323 30.576 1.00 17.24 N ATOM 754 NH2 ARG A 97 30.695 43.243 32.832 1.00 23.16 N ATOM 755 N VAL A 98 32.302 40.801 26.958 1.00 19.42 N ATOM 756 CA VAL A 98 33.448 41.711 26.926 1.00 19.62 C ATOM 757 C VAL A 98 33.107 43.022 26.190 1.00 28.44 C ATOM 758 O VAL A 98 33.516 44.068 26.750 1.00 18.79 O ATOM 759 CB VAL A 98 34.710 41.076 26.303 1.00 16.62 C ATOM 760 CG1 VAL A 98 35.866 42.085 26.098 1.00 18.93 C ATOM 761 CG2 VAL A 98 35.159 39.857 27.096 1.00 12.97 C ATOM 762 N VAL A 99 32.442 42.945 25.040 1.00 17.04 N ATOM 763 CA VAL A 99 32.151 44.173 24.301 1.00 16.90 C ATOM 764 C VAL A 99 31.041 45.071 24.897 1.00 17.14 C ATOM 765 O VAL A 99 30.932 46.163 24.290 1.00 23.02 O ATOM 766 CB VAL A 99 31.787 43.968 22.797 1.00 18.01 C ATOM 767 CG1 VAL A 99 33.054 43.634 22.050 1.00 27.15 C ATOM 768 CG2 VAL A 99 30.604 43.011 22.648 1.00 24.64 C ATOM 769 N LEU A 100 30.366 44.673 25.944 1.00 21.74 N ATOM 770 CA LEU A 100 29.375 45.518 26.605 1.00 29.31 C ATOM 771 C LEU A 100 30.102 46.503 27.546 1.00 22.26 C ATOM 772 O LEU A 100 29.413 47.427 27.971 1.00 32.90 O ATOM 773 CB LEU A 100 28.321 44.712 27.369 1.00 18.72 C ATOM 774 CG LEU A 100 27.513 43.715 26.591 1.00 17.22 C ATOM 775 CD1 LEU A 100 26.625 42.957 27.589 1.00 20.60 C ATOM 776 CD2 LEU A 100 26.733 44.484 25.538 1.00 22.51 C ATOM 777 N ASP A 101 31.356 46.257 27.848 1.00 23.20 N ATOM 778 CA ASP A 101 32.079 47.209 28.713 1.00 24.21 C ATOM 779 C ASP A 101 32.297 48.461 27.851 1.00 23.14 C ATOM 780 O ASP A 101 32.232 48.512 26.612 1.00 24.21 O ATOM 781 CB ASP A 101 33.324 46.566 29.316 1.00 23.94 C ATOM 782 CG ASP A 101 33.064 46.010 30.713 1.00 24.48 C ATOM 783 OD1 ASP A 101 31.910 45.799 31.125 1.00 29.51 O ATOM 784 OD2 ASP A 101 34.060 45.781 31.428 1.00 30.29 O ATOM 785 N PRO A 102 32.584 49.556 28.554 1.00 22.60 N ATOM 786 CA PRO A 102 32.805 50.867 27.933 1.00 23.27 C ATOM 787 C PRO A 102 33.824 50.885 26.810 1.00 23.26 C ATOM 788 O PRO A 102 33.556 51.592 25.804 1.00 26.06 O ATOM 789 CB PRO A 102 33.183 51.727 29.138 1.00 25.67 C ATOM 790 CG PRO A 102 32.375 51.081 30.250 1.00 30.65 C ATOM 791 CD PRO A 102 32.702 49.608 30.029 1.00 23.65 C ATOM 792 N ASN A 103 34.823 50.100 26.839 1.00 21.93 N ATOM 793 CA ASN A 103 35.810 50.178 25.751 1.00 21.32 C ATOM 794 C ASN A 103 35.341 49.453 24.475 1.00 24.26 C ATOM 795 O ASN A 103 35.978 49.546 23.422 1.00 24.22 O ATOM 796 CB ASN A 103 37.146 49.644 26.214 1.00 25.27 C ATOM 797 CG ASN A 103 37.884 50.704 27.017 1.00 34.38 C ATOM 798 OD1 ASN A 103 37.421 51.847 27.074 1.00 40.32 O ATOM 799 ND2 ASN A 103 38.995 50.402 27.648 1.00 20.00 N ATOM 800 N GLY A 104 34.183 48.703 24.582 1.00 20.57 N ATOM 801 CA GLY A 104 33.702 48.017 23.359 1.00 17.79 C ATOM 802 C GLY A 104 34.798 47.117 22.781 1.00 23.08 C ATOM 803 O GLY A 104 35.618 46.526 23.495 1.00 19.42 O ATOM 804 N ILE A 105 34.772 46.952 21.471 1.00 18.08 N ATOM 805 CA ILE A 105 35.749 46.061 20.809 1.00 21.56 C ATOM 806 C ILE A 105 37.170 46.630 20.889 1.00 29.92 C ATOM 807 O ILE A 105 38.061 45.840 20.498 1.00 18.97 O ATOM 808 CB ILE A 105 35.239 45.731 19.357 1.00 17.03 C ATOM 809 CG1 ILE A 105 35.934 44.507 18.724 1.00 20.99 C ATOM 810 CG2 ILE A 105 35.389 47.008 18.473 1.00 18.91 C ATOM 811 CD1 ILE A 105 35.221 43.940 17.480 1.00 21.61 C ATOM 812 N GLY A 106 37.384 47.844 21.372 1.00 22.02 N ATOM 813 CA GLY A 106 38.669 48.519 21.534 1.00 13.65 C ATOM 814 C GLY A 106 39.414 47.810 22.643 1.00 17.89 C ATOM 815 O GLY A 106 40.604 47.989 22.874 1.00 29.87 O ATOM 816 N ALA A 107 38.714 46.929 23.354 1.00 18.86 N ATOM 817 CA ALA A 107 39.335 46.112 24.402 1.00 15.93 C ATOM 818 C ALA A 107 40.419 45.205 23.813 1.00 35.77 C ATOM 819 O ALA A 107 41.335 44.824 24.541 1.00 27.92 O ATOM 820 CB ALA A 107 38.303 45.264 25.131 1.00 20.05 C ATOM 821 N TRP A 108 40.318 44.770 22.571 1.00 20.16 N ATOM 822 CA TRP A 108 41.243 43.879 21.865 1.00 12.53 C ATOM 823 C TRP A 108 42.325 44.694 21.177 1.00 18.33 C ATOM 824 O TRP A 108 42.032 45.496 20.276 1.00 22.56 O ATOM 825 CB TRP A 108 40.509 43.017 20.840 1.00 21.88 C ATOM 826 CG TRP A 108 39.773 41.854 21.406 1.00 21.66 C ATOM 827 CD1 TRP A 108 40.286 40.617 21.691 1.00 24.28 C ATOM 828 CD2 TRP A 108 38.391 41.812 21.794 1.00 13.93 C ATOM 829 NE1 TRP A 108 39.290 39.812 22.207 1.00 25.78 N ATOM 830 CE2 TRP A 108 38.108 40.497 22.277 1.00 17.91 C ATOM 831 CE3 TRP A 108 37.337 42.721 21.742 1.00 24.95 C ATOM 832 CZ2 TRP A 108 36.853 40.113 22.723 1.00 18.55 C ATOM 833 CZ3 TRP A 108 36.079 42.336 22.179 1.00 24.77 C ATOM 834 CH2 TRP A 108 35.829 41.044 22.673 1.00 22.65 C ATOM 835 N VAL A 109 43.565 44.490 21.572 1.00 22.59 N ATOM 836 CA VAL A 109 44.701 45.221 20.990 1.00 21.50 C ATOM 837 C VAL A 109 44.788 44.903 19.506 1.00 20.89 C ATOM 838 O VAL A 109 45.074 45.882 18.783 1.00 22.04 O ATOM 839 CB VAL A 109 46.045 44.915 21.657 1.00 23.19 C ATOM 840 CG1 VAL A 109 47.161 45.774 21.048 1.00 29.32 C ATOM 841 CG2 VAL A 109 46.009 45.083 23.155 1.00 30.02 C ATOM 842 N ALA A 110 44.569 43.653 19.111 1.00 24.42 N ATOM 843 CA ALA A 110 44.700 43.326 17.676 1.00 28.66 C ATOM 844 C ALA A 110 43.693 44.101 16.835 1.00 19.46 C ATOM 845 O ALA A 110 44.094 44.385 15.676 1.00 17.76 O ATOM 846 CB ALA A 110 44.550 41.847 17.391 1.00 22.14 C ATOM 847 N TRP A 111 42.517 44.358 17.403 1.00 24.40 N ATOM 848 CA TRP A 111 41.495 45.122 16.638 1.00 17.21 C ATOM 849 C TRP A 111 41.999 46.579 16.466 1.00 17.78 C ATOM 850 O TRP A 111 41.938 47.155 15.356 1.00 21.32 O ATOM 851 CB TRP A 111 40.112 44.942 17.292 1.00 18.58 C ATOM 852 CG TRP A 111 39.069 45.676 16.516 1.00 17.62 C ATOM 853 CD1 TRP A 111 38.267 45.263 15.472 1.00 13.23 C ATOM 854 CD2 TRP A 111 38.740 47.061 16.724 1.00 19.77 C ATOM 855 NE1 TRP A 111 37.447 46.283 15.038 1.00 18.94 N ATOM 856 CE2 TRP A 111 37.731 47.393 15.795 1.00 24.23 C ATOM 857 CE3 TRP A 111 39.194 47.995 17.655 1.00 21.05 C ATOM 858 CZ2 TRP A 111 37.193 48.673 15.733 1.00 19.45 C ATOM 859 CZ3 TRP A 111 38.665 49.270 17.603 1.00 19.34 C ATOM 860 CH2 TRP A 111 37.690 49.589 16.665 1.00 17.61 C ATOM 861 N ARG A 112 42.436 47.194 17.553 1.00 21.59 N ATOM 862 CA ARG A 112 42.955 48.587 17.557 1.00 20.52 C ATOM 863 C ARG A 112 44.037 48.758 16.511 1.00 18.94 C ATOM 864 O ARG A 112 44.011 49.706 15.723 1.00 21.49 O ATOM 865 CB ARG A 112 43.454 48.983 18.954 1.00 15.00 C ATOM 866 CG ARG A 112 42.249 49.204 19.887 1.00 17.17 C ATOM 867 CD ARG A 112 42.584 50.074 21.054 1.00 21.82 C ATOM 868 NE ARG A 112 43.898 49.908 21.674 1.00 27.74 N ATOM 869 CZ ARG A 112 44.148 49.033 22.666 1.00 28.13 C ATOM 870 NH1 ARG A 112 43.195 48.265 23.211 1.00 28.25 N ATOM 871 NH2 ARG A 112 45.397 48.916 23.146 1.00 28.08 N ATOM 872 N LEU A 113 44.879 47.741 16.435 1.00 21.66 N ATOM 873 CA LEU A 113 46.072 47.712 15.581 1.00 26.46 C ATOM 874 C LEU A 113 45.802 47.414 14.088 1.00 29.88 C ATOM 875 O LEU A 113 46.215 48.175 13.200 1.00 23.21 O ATOM 876 CB LEU A 113 47.022 46.631 16.077 1.00 27.23 C ATOM 877 CG LEU A 113 48.408 47.182 16.367 1.00 54.83 C ATOM 878 CD1 LEU A 113 48.390 48.367 17.336 1.00 20.00 C ATOM 879 CD2 LEU A 113 49.344 46.149 16.986 1.00 20.00 C ATOM 880 N HIS A 114 45.199 46.264 13.778 1.00 25.54 N ATOM 881 CA HIS A 114 44.948 45.870 12.390 1.00 20.05 C ATOM 882 C HIS A 114 43.563 46.013 11.794 1.00 20.16 C ATOM 883 O HIS A 114 43.522 45.835 10.570 1.00 23.15 O ATOM 884 CB HIS A 114 45.242 44.347 12.196 1.00 24.98 C ATOM 885 CG HIS A 114 46.606 44.044 12.696 1.00 27.41 C ATOM 886 ND1 HIS A 114 46.813 43.404 13.885 1.00 32.95 N ATOM 887 CD2 HIS A 114 47.807 44.304 12.131 1.00 24.82 C ATOM 888 CE1 HIS A 114 48.120 43.263 14.078 1.00 23.86 C ATOM 889 NE2 HIS A 114 48.710 43.795 13.024 1.00 31.87 N ATOM 890 N CYS A 115 42.520 46.302 12.520 1.00 18.71 N ATOM 891 CA CYS A 115 41.178 46.369 11.988 1.00 15.59 C ATOM 892 C CYS A 115 40.510 47.725 12.073 1.00 16.38 C ATOM 893 O CYS A 115 39.689 47.992 11.184 1.00 27.06 O ATOM 894 CB CYS A 115 40.262 45.395 12.777 1.00 12.06 C ATOM 895 SG CYS A 115 40.980 43.723 12.964 1.00 20.88 S ATOM 896 N GLN A 116 40.849 48.431 13.155 1.00 21.30 N ATOM 897 CA GLN A 116 40.239 49.775 13.351 1.00 19.64 C ATOM 898 C GLN A 116 40.564 50.693 12.167 1.00 24.56 C ATOM 899 O GLN A 116 41.764 50.742 11.790 1.00 25.67 O ATOM 900 CB GLN A 116 40.694 50.396 14.656 1.00 14.62 C ATOM 901 CG GLN A 116 40.091 51.741 14.970 1.00 15.42 C ATOM 902 CD GLN A 116 40.432 52.311 16.319 1.00 24.79 C ATOM 903 OE1 GLN A 116 39.689 53.152 16.863 1.00 28.89 O ATOM 904 NE2 GLN A 116 41.524 51.891 16.944 1.00 22.61 N ATOM 905 N ASN A 117 39.525 51.306 11.593 1.00 33.86 N ATOM 906 CA ASN A 117 39.699 52.242 10.452 1.00 32.72 C ATOM 907 C ASN A 117 40.135 51.628 9.124 1.00 37.42 C ATOM 908 O ASN A 117 40.540 52.381 8.190 1.00 37.79 O ATOM 909 CB ASN A 117 40.733 53.352 10.790 1.00 24.43 C ATOM 910 CG ASN A 117 40.334 54.331 11.871 1.00 28.31 C ATOM 911 OD1 ASN A 117 39.133 54.663 12.031 1.00 34.78 O ATOM 912 ND2 ASN A 117 41.307 54.801 12.676 1.00 36.04 N ATOM 913 N GLN A 118 40.115 50.317 9.028 1.00 30.76 N ATOM 914 CA GLN A 118 40.559 49.644 7.787 1.00 26.34 C ATOM 915 C GLN A 118 39.409 49.165 6.925 1.00 30.66 C ATOM 916 O GLN A 118 38.262 49.236 7.443 1.00 28.93 O ATOM 917 CB GLN A 118 41.493 48.475 8.156 1.00 30.85 C ATOM 918 CG GLN A 118 42.838 48.679 7.440 1.00 57.91 C ATOM 919 CD GLN A 118 43.984 48.681 8.432 1.00 73.41 C ATOM 920 OE1 GLN A 118 43.995 49.510 9.354 1.00 67.43 O ATOM 921 NE2 GLN A 118 44.912 47.738 8.213 1.00 73.41 N ATOM 922 N ASP A 119 39.710 48.737 5.701 1.00 40.62 N ATOM 923 CA ASP A 119 38.621 48.195 4.848 1.00 50.58 C ATOM 924 C ASP A 119 38.588 46.699 5.259 1.00 27.50 C ATOM 925 O ASP A 119 39.608 46.015 5.021 1.00 37.86 O ATOM 926 CB ASP A 119 38.700 48.293 3.340 1.00 59.65 C ATOM 927 CG ASP A 119 37.334 48.427 2.666 1.00 73.41 C ATOM 928 OD1 ASP A 119 36.410 47.623 2.983 1.00 48.82 O ATOM 929 OD2 ASP A 119 37.175 49.356 1.834 1.00 66.59 O ATOM 930 N LEU A 120 37.466 46.297 5.828 1.00 29.30 N ATOM 931 CA LEU A 120 37.444 44.875 6.290 1.00 17.18 C ATOM 932 C LEU A 120 36.627 43.976 5.382 1.00 33.44 C ATOM 933 O LEU A 120 36.375 42.808 5.724 1.00 29.95 O ATOM 934 CB LEU A 120 37.008 44.976 7.746 1.00 20.64 C ATOM 935 CG LEU A 120 37.719 45.744 8.824 1.00 26.61 C ATOM 936 CD1 LEU A 120 37.152 45.346 10.182 1.00 29.32 C ATOM 937 CD2 LEU A 120 39.208 45.445 8.909 1.00 24.51 C ATOM 938 N ARG A 121 36.291 44.472 4.206 1.00 36.08 N ATOM 939 CA ARG A 121 35.469 43.662 3.269 1.00 24.70 C ATOM 940 C ARG A 121 36.145 42.365 2.872 1.00 28.22 C ATOM 941 O ARG A 121 35.456 41.325 2.783 1.00 27.99 O ATOM 942 CB ARG A 121 35.068 44.532 2.063 1.00 38.71 C ATOM 943 CG ARG A 121 33.542 44.379 1.858 1.00 70.92 C ATOM 944 CD ARG A 121 32.706 44.317 3.092 1.00 73.41 C ATOM 945 NE ARG A 121 31.541 43.413 3.098 1.00 68.02 N ATOM 946 CZ ARG A 121 30.622 43.395 4.093 1.00 68.43 C ATOM 947 NH1 ARG A 121 30.858 43.994 5.275 1.00 65.93 N ATOM 948 NH2 ARG A 121 29.436 42.786 3.908 1.00 69.79 N ATOM 949 N SER A 122 37.456 42.402 2.687 1.00 18.87 N ATOM 950 CA SER A 122 38.143 41.165 2.356 1.00 26.09 C ATOM 951 C SER A 122 37.939 40.034 3.356 1.00 35.96 C ATOM 952 O SER A 122 38.072 38.849 2.961 1.00 29.33 O ATOM 953 CB SER A 122 39.636 41.479 2.292 1.00 35.67 C ATOM 954 OG SER A 122 39.911 42.365 3.368 1.00 39.53 O ATOM 955 N TYR A 123 37.684 40.374 4.615 1.00 29.07 N ATOM 956 CA TYR A 123 37.545 39.323 5.652 1.00 27.79 C ATOM 957 C TYR A 123 36.309 38.448 5.472 1.00 28.78 C ATOM 958 O TYR A 123 36.378 37.297 5.944 1.00 27.48 O ATOM 959 CB TYR A 123 37.575 39.891 7.114 1.00 17.23 C ATOM 960 CG TYR A 123 38.948 40.398 7.448 1.00 20.01 C ATOM 961 CD1 TYR A 123 39.932 39.511 7.881 1.00 20.01 C ATOM 962 CD2 TYR A 123 39.285 41.755 7.279 1.00 20.01 C ATOM 963 CE1 TYR A 123 41.222 39.955 8.183 1.00 20.01 C ATOM 964 CE2 TYR A 123 40.573 42.209 7.569 1.00 20.01 C ATOM 965 CZ TYR A 123 41.534 41.300 8.004 1.00 20.01 C ATOM 966 OH TYR A 123 42.812 41.763 8.302 1.00 20.01 O ATOM 967 N VAL A 124 35.295 38.995 4.845 1.00 18.30 N ATOM 968 CA VAL A 124 34.033 38.228 4.604 1.00 18.51 C ATOM 969 C VAL A 124 33.830 37.904 3.118 1.00 33.87 C ATOM 970 O VAL A 124 32.824 37.258 2.743 1.00 23.88 O ATOM 971 CB VAL A 124 32.860 39.000 5.240 1.00 28.55 C ATOM 972 CG1 VAL A 124 32.947 38.911 6.751 1.00 29.24 C ATOM 973 CG2 VAL A 124 32.768 40.445 4.742 1.00 25.11 C ATOM 974 N ALA A 125 34.768 38.330 2.287 1.00 35.85 N ATOM 975 CA ALA A 125 34.715 38.117 0.837 1.00 33.81 C ATOM 976 C ALA A 125 34.794 36.612 0.535 1.00 22.25 C ATOM 977 O ALA A 125 35.616 35.846 1.014 1.00 29.92 O ATOM 978 CB ALA A 125 35.808 38.852 0.083 1.00 33.76 C ATOM 979 N GLY A 126 33.822 36.269 -0.306 1.00 21.92 N ATOM 980 CA GLY A 126 33.524 34.924 -0.798 1.00 23.17 C ATOM 981 C GLY A 126 32.787 33.983 0.177 1.00 25.76 C ATOM 982 O GLY A 126 32.677 32.778 -0.163 1.00 27.38 O ATOM 983 N CYS A 127 32.336 34.472 1.328 1.00 25.13 N ATOM 984 CA CYS A 127 31.685 33.631 2.336 1.00 14.60 C ATOM 985 C CYS A 127 30.194 33.450 2.095 1.00 17.61 C ATOM 986 O CYS A 127 29.620 32.572 2.765 1.00 25.20 O ATOM 987 CB CYS A 127 31.966 34.253 3.708 1.00 15.98 C ATOM 988 SG CYS A 127 33.741 34.308 4.029 1.00 23.09 S ATOM 989 N GLY A 128 29.594 34.262 1.240 1.00 25.00 N ATOM 990 CA GLY A 128 28.172 34.201 0.905 1.00 16.07 C ATOM 991 C GLY A 128 27.251 34.367 2.117 1.00 31.54 C ATOM 992 O GLY A 128 26.225 33.701 2.314 1.00 34.55 O ATOM 993 N VAL A 129 27.680 35.294 2.972 1.00 28.69 N ATOM 994 CA VAL A 129 27.058 35.735 4.225 1.00 29.16 C ATOM 995 C VAL A 129 27.218 37.291 4.334 1.00 43.17 C ATOM 996 O VAL A 129 26.093 37.753 4.725 1.00 44.01 O ATOM 997 CB VAL A 129 27.564 35.101 5.538 1.00 30.80 C ATOM 998 CG1 VAL A 129 27.174 33.632 5.680 1.00 36.35 C ATOM 999 CG2 VAL A 129 29.060 35.340 5.668 1.00 39.23 C TER 1000 VAL A 129 HETATM 1001 O HOH A 130 41.211 30.566 6.308 1.00 31.64 O HETATM 1002 O HOH A 131 37.920 30.608 3.408 1.00 46.35 O HETATM 1003 O HOH A 132 24.671 37.676 13.254 1.00 20.89 O HETATM 1004 O HOH A 133 26.497 30.305 19.914 1.00 43.62 O HETATM 1005 O HOH A 134 42.416 45.797 5.668 1.00 55.87 O HETATM 1006 O HOH A 135 43.361 44.231 8.212 1.00 35.90 O HETATM 1007 O HOH A 136 30.979 48.072 13.007 1.00 31.62 O HETATM 1008 O HOH A 137 48.062 33.613 18.897 1.00 43.22 O HETATM 1009 O HOH A 138 42.217 28.894 8.692 1.00 32.02 O HETATM 1010 O HOH A 139 44.619 29.776 10.133 1.00 29.58 O HETATM 1011 O HOH A 140 33.953 20.993 21.171 1.00 32.24 O HETATM 1012 O HOH A 141 48.055 37.088 19.547 1.00 59.10 O HETATM 1013 O HOH A 142 47.184 37.077 22.665 1.00 37.82 O HETATM 1014 O HOH A 143 50.949 29.279 26.512 1.00 37.43 O HETATM 1015 O HOH A 144 37.837 30.059 21.504 1.00 21.78 O HETATM 1016 O HOH A 145 36.013 28.112 21.453 1.00 19.77 O HETATM 1017 O HOH A 146 33.998 28.007 23.550 1.00 16.38 O HETATM 1018 O HOH A 147 31.303 25.918 24.042 1.00 24.24 O HETATM 1019 O HOH A 148 33.117 25.192 25.781 1.00 27.59 O HETATM 1020 O HOH A 149 48.414 41.272 29.863 1.00 45.37 O HETATM 1021 O HOH A 150 45.736 41.441 31.979 1.00 26.13 O HETATM 1022 O HOH A 151 39.721 47.686 27.702 1.00 37.72 O HETATM 1023 O HOH A 152 37.013 46.231 28.341 1.00 25.02 O HETATM 1024 O HOH A 153 35.802 48.959 29.110 1.00 30.12 O HETATM 1025 O HOH A 154 35.477 46.206 26.440 1.00 22.86 O HETATM 1026 O HOH A 155 47.548 39.517 36.928 1.00 42.68 O HETATM 1027 O HOH A 156 43.232 32.711 38.840 1.00 29.00 O HETATM 1028 O HOH A 157 42.240 33.363 36.324 1.00 28.25 O HETATM 1029 O HOH A 158 50.952 32.520 35.396 1.00 44.46 O HETATM 1030 O HOH A 159 53.001 29.455 36.718 1.00 58.33 O HETATM 1031 O HOH A 160 47.036 28.127 31.250 1.00 21.81 O HETATM 1032 O HOH A 161 47.790 32.547 33.520 1.00 16.03 O HETATM 1033 O HOH A 162 40.397 40.297 26.793 1.00 22.09 O HETATM 1034 O HOH A 163 40.153 43.505 28.550 1.00 31.99 O HETATM 1035 O HOH A 164 30.454 30.165 3.098 1.00 31.58 O HETATM 1036 O HOH A 165 28.124 42.601 7.805 1.00 44.36 O HETATM 1037 O HOH A 166 50.836 44.729 36.433 1.00 67.37 O HETATM 1038 O HOH A 167 38.237 32.998 22.937 1.00 19.16 O HETATM 1039 O HOH A 168 42.044 25.712 37.387 1.00 23.89 O HETATM 1040 O HOH A 169 51.158 26.785 35.705 1.00 34.01 O HETATM 1041 O HOH A 170 36.709 44.302 36.116 1.00 61.00 O HETATM 1042 O HOH A 171 34.428 44.490 34.229 1.00 50.33 O HETATM 1043 O HOH A 172 39.086 23.350 33.675 1.00 23.01 O HETATM 1044 O HOH A 173 33.983 29.290 36.790 1.00 39.40 O HETATM 1045 O HOH A 174 35.749 21.911 32.898 1.00 31.96 O HETATM 1046 O HOH A 175 36.544 22.728 30.867 1.00 33.24 O HETATM 1047 O HOH A 176 38.707 22.668 27.794 1.00 44.00 O HETATM 1048 O HOH A 177 29.787 33.710 29.950 1.00 35.17 O HETATM 1049 O HOH A 178 28.626 36.299 30.166 1.00 39.80 O HETATM 1050 O HOH A 179 30.350 31.987 28.419 1.00 38.59 O HETATM 1051 O HOH A 180 26.906 37.129 27.120 1.00 34.06 O HETATM 1052 O HOH A 181 26.033 39.548 26.808 1.00 36.30 O HETATM 1053 O HOH A 182 39.909 25.117 41.514 1.00 30.43 O HETATM 1054 O HOH A 183 40.772 27.187 39.237 1.00 31.68 O HETATM 1055 O HOH A 184 26.924 31.429 22.305 1.00 26.82 O HETATM 1056 O HOH A 185 25.628 34.061 22.694 1.00 30.00 O HETATM 1057 O HOH A 186 27.693 25.395 18.080 1.00 46.22 O HETATM 1058 O HOH A 187 30.883 25.101 14.656 1.00 56.92 O HETATM 1059 O HOH A 188 31.411 25.535 12.111 1.00 48.61 O HETATM 1060 O HOH A 189 27.135 26.050 6.167 1.00 30.56 O HETATM 1061 O HOH A 190 28.591 28.135 18.337 1.00 45.82 O HETATM 1062 O HOH A 191 30.657 26.524 17.315 1.00 30.08 O HETATM 1063 O HOH A 192 28.190 29.305 16.141 1.00 45.33 O HETATM 1064 O HOH A 193 26.928 27.129 14.372 1.00 40.12 O HETATM 1065 O HOH A 194 28.641 30.236 29.363 1.00 37.53 O HETATM 1066 O HOH A 196 32.558 48.450 20.125 1.00 26.17 O HETATM 1067 O HOH A 197 27.580 51.256 28.606 1.00 30.54 O HETATM 1068 O HOH A 198 30.396 48.353 21.806 1.00 48.05 O HETATM 1069 O HOH A 199 37.208 45.479 31.591 1.00 39.38 O HETATM 1070 O HOH A 200 30.286 53.358 26.227 1.00 48.97 O HETATM 1071 O HOH A 201 43.751 41.659 22.878 1.00 40.21 O HETATM 1072 O HOH A 202 44.868 39.730 24.345 1.00 49.44 O HETATM 1073 O HOH A 203 41.031 50.172 24.945 1.00 42.68 O HETATM 1074 O HOH A 204 49.282 48.601 24.301 1.00 43.76 O HETATM 1075 O HOH A 205 36.324 49.008 11.739 1.00 40.66 O HETATM 1076 O HOH A 206 40.089 56.550 15.910 1.00 59.02 O HETATM 1077 O HOH A 207 35.693 54.737 18.859 1.00 53.61 O HETATM 1078 O HOH A 208 30.451 37.191 -1.149 1.00 54.56 O HETATM 1079 O HOH A 209 29.122 32.814 -2.156 1.00 50.22 O HETATM 1080 O HOH A 210 30.822 30.953 -0.522 1.00 41.41 O HETATM 1081 O HOH A 211 30.899 29.463 -2.747 1.00 64.32 O HETATM 1082 O HOH A 212 34.926 30.249 1.249 1.00 57.28 O HETATM 1083 O HOH A 213 37.018 35.357 -2.256 1.00 53.58 O HETATM 1084 O HOH A 214 37.953 38.027 -3.708 1.00 56.64 O HETATM 1085 O HOH A 215 39.537 35.389 -0.917 1.00 53.74 O HETATM 1086 O HOH A 216 30.439 37.223 2.796 1.00 38.54 O HETATM 1087 O HOH A 217 36.990 53.661 15.365 1.00 43.05 O HETATM 1088 O HOH A 218 39.694 37.831 1.416 1.00 46.68 O HETATM 1089 O HOH A 219 37.026 42.698 -1.298 1.00 59.34 O HETATM 1090 O HOH A 220 41.661 24.349 9.268 1.00 40.20 O HETATM 1091 O HOH A 221 46.832 28.658 11.243 1.00 57.40 O HETATM 1092 O HOH A 222 48.494 34.101 15.406 1.00 56.18 O HETATM 1093 O HOH A 223 52.599 31.839 25.686 1.00 48.11 O HETATM 1094 O HOH A 224 48.674 27.355 40.031 1.00 44.39 O HETATM 1095 O HOH A 225 49.571 26.045 37.773 1.00 31.04 O HETATM 1096 O HOH A 226 56.295 41.912 35.766 1.00 61.70 O HETATM 1097 O HOH A 227 33.118 26.391 35.617 1.00 54.10 O HETATM 1098 O HOH A 228 28.764 48.855 30.109 1.00 29.47 O HETATM 1099 O HOH A 229 47.292 45.154 9.550 1.00 51.24 O HETATM 1100 O HOH A 230 52.244 49.214 11.915 1.00 49.89 O HETATM 1101 O HOH A 231 47.632 42.773 37.312 1.00 55.29 O HETATM 1102 O HOH A 232 32.460 24.678 27.858 1.00 40.77 O HETATM 1103 O HOH A 233 41.526 56.934 4.787 1.00 42.98 O HETATM 1104 O HOH A 234 45.562 33.780 9.198 1.00 53.28 O HETATM 1105 O HOH A 235 31.667 22.308 23.849 1.00 62.14 O HETATM 1106 O HOH A 236 46.296 32.641 41.951 1.00 48.58 O HETATM 1107 O HOH A 237 41.294 45.494 29.646 1.00 34.15 O HETATM 1108 O HOH A 238 43.303 42.581 27.210 1.00 39.58 O HETATM 1109 O HOH A 239 38.437 46.994 32.949 1.00 43.10 O HETATM 1110 O HOH A 240 55.026 32.702 35.642 1.00 63.51 O HETATM 1111 O HOH A 241 28.515 40.124 6.534 1.00 43.87 O HETATM 1112 O HOH A 242 35.871 28.598 38.566 1.00 41.91 O HETATM 1113 O HOH A 243 25.527 39.421 30.267 1.00 48.81 O HETATM 1114 O HOH A 244 28.940 50.247 26.493 1.00 39.89 O HETATM 1115 O HOH A 245 46.876 40.647 25.570 1.00 44.09 O HETATM 1116 O HOH A 246 47.756 33.691 10.591 1.00 58.53 O HETATM 1117 O HOH A 247 39.476 45.557 31.184 1.00 32.22 O HETATM 1118 O HOH A 248 34.136 27.582 3.567 1.00 48.40 O HETATM 1119 O HOH A 249 50.792 33.380 21.698 1.00 43.08 O HETATM 1120 O HOH A 250 39.878 34.341 39.019 1.00 50.80 O HETATM 1121 O HOH A 251 28.623 40.310 3.215 1.00 51.51 O HETATM 1122 O HOH A 252 35.672 48.205 34.037 1.00 54.30 O HETATM 1123 O HOH A 253 24.696 27.931 17.815 1.00 55.91 O HETATM 1124 O HOH A 254 39.706 39.935 -0.929 1.00 50.94 O HETATM 1125 O HOH A 255 35.930 32.086 40.171 1.00 51.00 O HETATM 1126 O HOH A 256 22.553 31.849 23.566 1.00 60.02 O HETATM 1127 O HOH A 295 29.485 27.767 30.854 1.00 38.02 O CONECT 53 988 CONECT 228 895 CONECT 510 623 CONECT 594 729 CONECT 623 510 CONECT 729 594 CONECT 895 228 CONECT 988 53 MASTER 299 0 0 8 2 0 0 6 1126 1 8 10 END