HEADER HYDROLASE 18-MAY-00 1F10 TITLE CRYSTAL STRUCTURE OF ORTHORHOMBIC LYSOZYME GROWN AT PH 6.5 TITLE 2 AT 88% RELATIVE HUMIDITY COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM KEYWDS GLYCOSIDASE, ENZYME-ORTHORHOMBIC FORM, MUCOPEPTIDE N- KEYWDS 2 ACETYLMURAMYL HYDROLASE, HEN EGG-WHITE LYSOZYME, LOW KEYWDS 3 HUMIDITY EXPDTA X-RAY DIFFRACTION AUTHOR B.K.BISWAL,N.SUKUMAR,M.VIJAYAN REVDAT 4 24-FEB-09 1F10 1 VERSN REVDAT 3 01-APR-03 1F10 1 JRNL REVDAT 2 29-AUG-00 1F10 1 JRNL REVDAT 1 21-JUN-00 1F10 0 JRNL AUTH B.K.BISWAL,N.SUKUMAR,M.VIJAYAN JRNL TITL HYDRATION, MOBILITY AND ACCESSIBILITY OF LYSOZYME: JRNL TITL 2 STRUCTURES OF A PH 6.5 ORTHORHOMBIC FORM AND ITS JRNL TITL 3 LOW-HUMIDITY VARIANT AND A COMPARATIVE STUDY JRNL TITL 4 INVOLVING 20 CRYSTALLOGRAPHICALLY INDEPENDENT JRNL TITL 5 MOLECULES. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 56 1110 2000 JRNL REFN ISSN 0907-4449 JRNL PMID 10957630 JRNL DOI 10.1107/S0907444900008866 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH MADHUSUDAN,R.KODANDAPANI,M.VIJAYAN REMARK 1 TITL PROTEIN HYDRATION AND WATER STRUCTURE: X-RAY REMARK 1 TITL 2 ANALYSIS OF A CLOSELY PACKED PROTEIN CRYSTAL WITH REMARK 1 TITL 3 VERY LOW SOLVENT CONTENT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 49 234 1993 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S090744499200653X REMARK 1 REFERENCE 2 REMARK 1 AUTH N.SUKUMAR,B.K.BISWAL,M.VIJAYAN REMARK 1 TITL STRUCTURES OF ORTHORHOMBIC LYSOZYME GROWN AT BASIC REMARK 1 TITL 2 PH AND ITS LOW-HUMIDITY VARIANT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 55 934 1999 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S0907444998015522 REMARK 1 REFERENCE 3 REMARK 1 AUTH R.KODANDAPANI,C.G.SURESH,M.VIJAYAN REMARK 1 TITL CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL REMARK 1 TITL 2 LYSOZYME AT 2.1-A RESOLUTION. VARIABILITY IN REMARK 1 TITL 3 HYDRATION SHELL AND ITS STRUCTURAL CONSEQUENCES REMARK 1 REF J.BIOL.CHEM. V. 265 16126 1990 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 78.8 REMARK 3 NUMBER OF REFLECTIONS : 10564 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.203 REMARK 3 FREE R VALUE : 0.268 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1059 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 50.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 978 REMARK 3 BIN R VALUE (WORKING SET) : 0.4140 REMARK 3 BIN FREE R VALUE : 0.4860 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.40 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 114 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.046 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 : 126 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM SIGMAA (A) : 0.22 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.23 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 1.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.60 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.64 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.530 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.380 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.750 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.220 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : WAT.PAR REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : WAT.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F10 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011112. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13459 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 25.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 4.10 REMARK 200 R MERGE FOR SHELL (I) : 0.33200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: ORTHORHOMBIC LYSOZYME AT PH 6.5 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.81 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 15.29200 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.29150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.92950 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.29150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 15.29200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 27.92950 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 73 N - CA - C ANGL. DEV. = 19.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 103 -12.73 -32.17 REMARK 500 CYS A 115 -50.70 -121.82 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 227 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH A 241 DISTANCE = 5.83 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1F0W RELATED DB: PDB DBREF 1F10 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 *126(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 SER A 24 ASN A 37 1 14 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 ASP A 101 1 14 HELIX 5 5 TRP A 108 CYS A 115 1 8 HELIX 6 6 ASP A 119 ILE A 124 5 6 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.04 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.02 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.05 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 CRYST1 30.584 55.859 68.583 90.00 90.00 90.00 P 21 21 21 4 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 0.032697 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017902 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014581 0.00000 ATOM 1 N LYS A 1 41.945 -5.507 20.942 1.00 15.22 N ATOM 2 CA LYS A 1 41.568 -6.038 19.603 1.00 15.45 C ATOM 3 C LYS A 1 40.913 -4.961 18.789 1.00 13.95 C ATOM 4 O LYS A 1 40.244 -4.105 19.334 1.00 15.66 O ATOM 5 CB LYS A 1 40.559 -7.187 19.754 1.00 18.05 C ATOM 6 CG LYS A 1 39.859 -7.640 18.440 1.00 20.70 C ATOM 7 CD LYS A 1 38.764 -8.665 18.761 1.00 21.35 C ATOM 8 CE LYS A 1 38.383 -9.515 17.572 1.00 23.24 C ATOM 9 NZ LYS A 1 37.530 -10.649 17.997 1.00 21.94 N ATOM 10 N VAL A 2 41.092 -5.005 17.484 1.00 15.41 N ATOM 11 CA VAL A 2 40.449 -4.032 16.591 1.00 17.32 C ATOM 12 C VAL A 2 39.480 -4.828 15.718 1.00 15.93 C ATOM 13 O VAL A 2 39.860 -5.782 15.036 1.00 16.20 O ATOM 14 CB VAL A 2 41.455 -3.251 15.706 1.00 17.81 C ATOM 15 CG1 VAL A 2 40.707 -2.188 14.888 1.00 18.41 C ATOM 16 CG2 VAL A 2 42.496 -2.587 16.568 1.00 17.50 C ATOM 17 N PHE A 3 38.209 -4.493 15.827 1.00 15.78 N ATOM 18 CA PHE A 3 37.164 -5.179 15.076 1.00 14.87 C ATOM 19 C PHE A 3 36.960 -4.563 13.696 1.00 14.45 C ATOM 20 O PHE A 3 37.168 -3.359 13.493 1.00 12.62 O ATOM 21 CB PHE A 3 35.822 -5.043 15.803 1.00 12.34 C ATOM 22 CG PHE A 3 35.664 -5.914 17.009 1.00 12.66 C ATOM 23 CD1 PHE A 3 36.145 -5.512 18.246 1.00 12.40 C ATOM 24 CD2 PHE A 3 34.954 -7.110 16.916 1.00 13.54 C ATOM 25 CE1 PHE A 3 35.923 -6.290 19.371 1.00 13.39 C ATOM 26 CE2 PHE A 3 34.720 -7.903 18.031 1.00 12.96 C ATOM 27 CZ PHE A 3 35.206 -7.492 19.261 1.00 16.02 C ATOM 28 N GLY A 4 36.577 -5.413 12.743 1.00 13.98 N ATOM 29 CA GLY A 4 36.209 -4.917 11.438 1.00 12.20 C ATOM 30 C GLY A 4 34.739 -4.559 11.704 1.00 12.24 C ATOM 31 O GLY A 4 34.114 -5.118 12.621 1.00 10.82 O ATOM 32 N ARG A 5 34.192 -3.592 10.985 1.00 12.92 N ATOM 33 CA ARG A 5 32.784 -3.184 11.148 1.00 11.61 C ATOM 34 C ARG A 5 31.734 -4.337 11.246 1.00 11.27 C ATOM 35 O ARG A 5 30.974 -4.411 12.216 1.00 11.54 O ATOM 36 CB ARG A 5 32.429 -2.237 9.996 1.00 12.96 C ATOM 37 CG ARG A 5 30.979 -1.845 9.902 1.00 14.66 C ATOM 38 CD ARG A 5 30.766 -0.865 8.728 1.00 15.48 C ATOM 39 NE ARG A 5 31.046 -1.438 7.393 1.00 19.02 N ATOM 40 CZ ARG A 5 30.216 -2.222 6.706 1.00 16.48 C ATOM 41 NH1 ARG A 5 29.038 -2.569 7.202 1.00 17.87 N ATOM 42 NH2 ARG A 5 30.550 -2.615 5.490 1.00 18.64 N ATOM 43 N CYS A 6 31.719 -5.264 10.287 1.00 10.53 N ATOM 44 CA CYS A 6 30.745 -6.361 10.300 1.00 11.92 C ATOM 45 C CYS A 6 30.915 -7.349 11.432 1.00 11.39 C ATOM 46 O CYS A 6 29.943 -7.864 11.934 1.00 10.91 O ATOM 47 CB CYS A 6 30.742 -7.111 8.948 1.00 14.09 C ATOM 48 SG CYS A 6 30.122 -6.016 7.631 1.00 15.14 S ATOM 49 N GLU A 7 32.162 -7.586 11.816 1.00 11.78 N ATOM 50 CA GLU A 7 32.524 -8.467 12.921 1.00 12.60 C ATOM 51 C GLU A 7 31.888 -7.927 14.185 1.00 11.09 C ATOM 52 O GLU A 7 31.342 -8.682 15.003 1.00 9.08 O ATOM 53 CB GLU A 7 34.029 -8.398 13.090 1.00 15.23 C ATOM 54 CG GLU A 7 34.689 -9.657 13.476 1.00 24.20 C ATOM 55 CD GLU A 7 36.145 -9.425 13.839 1.00 27.43 C ATOM 56 OE1 GLU A 7 36.833 -8.719 13.057 1.00 25.12 O ATOM 57 OE2 GLU A 7 36.559 -9.911 14.935 1.00 31.31 O ATOM 58 N LEU A 8 32.015 -6.613 14.374 1.00 10.56 N ATOM 59 CA LEU A 8 31.440 -5.954 15.551 1.00 11.13 C ATOM 60 C LEU A 8 29.920 -6.006 15.520 1.00 10.07 C ATOM 61 O LEU A 8 29.296 -6.273 16.542 1.00 8.96 O ATOM 62 CB LEU A 8 31.877 -4.510 15.641 1.00 10.98 C ATOM 63 CG LEU A 8 31.419 -3.789 16.909 1.00 11.58 C ATOM 64 CD1 LEU A 8 31.871 -4.564 18.202 1.00 11.19 C ATOM 65 CD2 LEU A 8 31.933 -2.343 16.827 1.00 12.80 C ATOM 66 N ALA A 9 29.339 -5.721 14.358 1.00 11.28 N ATOM 67 CA ALA A 9 27.882 -5.758 14.160 1.00 10.10 C ATOM 68 C ALA A 9 27.301 -7.115 14.613 1.00 10.18 C ATOM 69 O ALA A 9 26.307 -7.137 15.347 1.00 9.75 O ATOM 70 CB ALA A 9 27.565 -5.504 12.699 1.00 8.43 C ATOM 71 N ALA A 10 27.961 -8.219 14.225 1.00 8.73 N ATOM 72 CA ALA A 10 27.570 -9.574 14.605 1.00 10.03 C ATOM 73 C ALA A 10 27.670 -9.785 16.130 1.00 11.68 C ATOM 74 O ALA A 10 26.759 -10.347 16.756 1.00 11.84 O ATOM 75 CB ALA A 10 28.435 -10.613 13.865 1.00 11.20 C ATOM 76 N ALA A 11 28.790 -9.376 16.727 1.00 12.03 N ATOM 77 CA ALA A 11 28.973 -9.525 18.173 1.00 11.65 C ATOM 78 C ALA A 11 27.894 -8.745 18.954 1.00 12.05 C ATOM 79 O ALA A 11 27.354 -9.221 19.971 1.00 10.63 O ATOM 80 CB ALA A 11 30.357 -9.037 18.581 1.00 9.57 C ATOM 81 N MET A 12 27.583 -7.552 18.467 1.00 10.65 N ATOM 82 CA MET A 12 26.617 -6.689 19.144 1.00 12.05 C ATOM 83 C MET A 12 25.227 -7.256 19.049 1.00 13.09 C ATOM 84 O MET A 12 24.482 -7.211 20.033 1.00 12.74 O ATOM 85 CB MET A 12 26.700 -5.230 18.656 1.00 10.98 C ATOM 86 CG MET A 12 27.948 -4.484 19.162 1.00 9.97 C ATOM 87 SD MET A 12 27.969 -2.754 18.577 1.00 13.26 S ATOM 88 CE MET A 12 29.051 -2.012 19.687 1.00 11.94 C ATOM 89 N LYS A 13 24.905 -7.816 17.880 1.00 12.89 N ATOM 90 CA LYS A 13 23.624 -8.474 17.612 1.00 12.97 C ATOM 91 C LYS A 13 23.468 -9.684 18.548 1.00 13.19 C ATOM 92 O LYS A 13 22.437 -9.827 19.225 1.00 13.23 O ATOM 93 CB LYS A 13 23.598 -8.944 16.159 1.00 14.84 C ATOM 94 CG LYS A 13 22.324 -9.635 15.731 1.00 20.05 C ATOM 95 CD LYS A 13 22.580 -10.277 14.371 1.00 26.16 C ATOM 96 CE LYS A 13 21.334 -10.851 13.732 1.00 29.64 C ATOM 97 NZ LYS A 13 20.579 -9.729 13.068 1.00 34.69 N ATOM 98 N ARG A 14 24.518 -10.508 18.660 1.00 12.51 N ATOM 99 CA ARG A 14 24.491 -11.682 19.549 1.00 15.37 C ATOM 100 C ARG A 14 24.247 -11.293 21.036 1.00 14.66 C ATOM 101 O ARG A 14 23.644 -12.015 21.795 1.00 13.45 O ATOM 102 CB ARG A 14 25.815 -12.452 19.418 1.00 19.24 C ATOM 103 CG ARG A 14 25.809 -13.924 19.915 1.00 23.36 C ATOM 104 CD ARG A 14 26.954 -14.749 19.246 1.00 28.20 C ATOM 105 NE ARG A 14 28.127 -13.925 18.866 1.00 35.12 N ATOM 106 CZ ARG A 14 28.723 -13.908 17.666 1.00 32.79 C ATOM 107 NH1 ARG A 14 28.288 -14.689 16.677 1.00 36.42 N ATOM 108 NH2 ARG A 14 29.686 -13.036 17.418 1.00 22.89 N ATOM 109 N HIS A 15 24.718 -10.119 21.414 1.00 16.62 N ATOM 110 CA HIS A 15 24.592 -9.628 22.774 1.00 17.51 C ATOM 111 C HIS A 15 23.318 -8.837 23.026 1.00 16.99 C ATOM 112 O HIS A 15 23.214 -8.166 24.046 1.00 19.61 O ATOM 113 CB HIS A 15 25.812 -8.778 23.122 1.00 17.90 C ATOM 114 CG HIS A 15 27.031 -9.575 23.479 1.00 20.08 C ATOM 115 ND1 HIS A 15 28.033 -9.858 22.573 1.00 20.50 N ATOM 116 CD2 HIS A 15 27.445 -10.078 24.664 1.00 18.33 C ATOM 117 CE1 HIS A 15 29.014 -10.495 23.185 1.00 17.73 C ATOM 118 NE2 HIS A 15 28.678 -10.639 24.457 1.00 19.24 N ATOM 119 N GLY A 16 22.381 -8.856 22.080 1.00 18.02 N ATOM 120 CA GLY A 16 21.096 -8.178 22.269 1.00 17.26 C ATOM 121 C GLY A 16 20.978 -6.660 22.171 1.00 16.82 C ATOM 122 O GLY A 16 20.079 -6.065 22.775 1.00 14.82 O ATOM 123 N LEU A 17 21.842 -6.039 21.370 1.00 15.52 N ATOM 124 CA LEU A 17 21.821 -4.593 21.217 1.00 14.67 C ATOM 125 C LEU A 17 20.906 -4.089 20.105 1.00 14.09 C ATOM 126 O LEU A 17 20.553 -2.894 20.045 1.00 14.14 O ATOM 127 CB LEU A 17 23.237 -4.087 20.993 1.00 14.73 C ATOM 128 CG LEU A 17 24.117 -4.014 22.207 1.00 12.82 C ATOM 129 CD1 LEU A 17 25.386 -3.289 21.765 1.00 16.34 C ATOM 130 CD2 LEU A 17 23.419 -3.241 23.288 1.00 12.68 C ATOM 131 N ASP A 18 20.512 -4.996 19.223 1.00 14.24 N ATOM 132 CA ASP A 18 19.641 -4.601 18.145 1.00 15.29 C ATOM 133 C ASP A 18 18.272 -4.188 18.699 1.00 14.76 C ATOM 134 O ASP A 18 17.561 -5.016 19.274 1.00 12.28 O ATOM 135 CB ASP A 18 19.502 -5.709 17.100 1.00 16.91 C ATOM 136 CG ASP A 18 18.806 -5.215 15.830 1.00 19.90 C ATOM 137 OD1 ASP A 18 18.644 -3.978 15.659 1.00 19.80 O ATOM 138 OD2 ASP A 18 18.429 -6.066 14.995 1.00 23.21 O ATOM 139 N ASN A 19 17.965 -2.890 18.560 1.00 14.88 N ATOM 140 CA ASN A 19 16.711 -2.261 19.001 1.00 16.67 C ATOM 141 C ASN A 19 16.578 -2.150 20.532 1.00 17.50 C ATOM 142 O ASN A 19 15.481 -1.865 21.068 1.00 19.90 O ATOM 143 CB ASN A 19 15.482 -2.949 18.365 1.00 17.11 C ATOM 144 CG ASN A 19 15.470 -2.859 16.804 1.00 22.23 C ATOM 145 OD1 ASN A 19 15.391 -1.767 16.223 1.00 23.25 O ATOM 146 ND2 ASN A 19 15.539 -4.014 16.138 1.00 23.18 N ATOM 147 N TYR A 20 17.696 -2.329 21.227 1.00 17.18 N ATOM 148 CA TYR A 20 17.731 -2.243 22.672 1.00 16.81 C ATOM 149 C TYR A 20 17.342 -0.826 23.097 1.00 16.93 C ATOM 150 O TYR A 20 17.991 0.147 22.691 1.00 16.96 O ATOM 151 CB TYR A 20 19.121 -2.544 23.204 1.00 16.25 C ATOM 152 CG TYR A 20 19.140 -2.519 24.713 1.00 16.01 C ATOM 153 CD1 TYR A 20 18.577 -3.566 25.448 1.00 14.82 C ATOM 154 CD2 TYR A 20 19.666 -1.434 25.405 1.00 15.44 C ATOM 155 CE1 TYR A 20 18.536 -3.533 26.826 1.00 16.14 C ATOM 156 CE2 TYR A 20 19.623 -1.390 26.804 1.00 17.08 C ATOM 157 CZ TYR A 20 19.057 -2.452 27.502 1.00 15.93 C ATOM 158 OH TYR A 20 19.023 -2.441 28.884 1.00 20.11 O ATOM 159 N ARG A 21 16.248 -0.713 23.858 1.00 17.09 N ATOM 160 CA ARG A 21 15.737 0.580 24.325 1.00 15.67 C ATOM 161 C ARG A 21 15.402 1.531 23.128 1.00 14.61 C ATOM 162 O ARG A 21 15.468 2.764 23.207 1.00 13.04 O ATOM 163 CB ARG A 21 16.727 1.182 25.351 1.00 19.49 C ATOM 164 CG ARG A 21 16.097 2.027 26.449 1.00 24.84 C ATOM 165 CD ARG A 21 15.623 1.246 27.697 1.00 27.09 C ATOM 166 NE ARG A 21 15.444 -0.196 27.504 1.00 31.55 N ATOM 167 CZ ARG A 21 15.324 -1.085 28.498 1.00 32.21 C ATOM 168 NH1 ARG A 21 15.354 -0.686 29.775 1.00 32.51 N ATOM 169 NH2 ARG A 21 15.236 -2.391 28.222 1.00 31.92 N ATOM 170 N GLY A 22 15.009 0.929 22.007 1.00 13.36 N ATOM 171 CA GLY A 22 14.649 1.714 20.852 1.00 14.18 C ATOM 172 C GLY A 22 15.725 2.064 19.849 1.00 14.00 C ATOM 173 O GLY A 22 15.431 2.737 18.866 1.00 14.91 O ATOM 174 N TYR A 23 16.962 1.630 20.093 1.00 13.76 N ATOM 175 CA TYR A 23 18.083 1.918 19.193 1.00 12.50 C ATOM 176 C TYR A 23 18.489 0.721 18.347 1.00 10.88 C ATOM 177 O TYR A 23 18.970 -0.285 18.876 1.00 12.49 O ATOM 178 CB TYR A 23 19.276 2.392 20.010 1.00 12.39 C ATOM 179 CG TYR A 23 18.937 3.638 20.756 1.00 13.78 C ATOM 180 CD1 TYR A 23 18.588 3.603 22.121 1.00 12.61 C ATOM 181 CD2 TYR A 23 18.934 4.858 20.090 1.00 14.92 C ATOM 182 CE1 TYR A 23 18.249 4.765 22.798 1.00 13.56 C ATOM 183 CE2 TYR A 23 18.610 6.029 20.750 1.00 16.61 C ATOM 184 CZ TYR A 23 18.268 5.988 22.097 1.00 15.52 C ATOM 185 OH TYR A 23 18.026 7.207 22.715 1.00 19.39 O ATOM 186 N SER A 24 18.283 0.839 17.034 1.00 13.25 N ATOM 187 CA SER A 24 18.630 -0.220 16.083 1.00 12.56 C ATOM 188 C SER A 24 20.135 -0.469 16.092 1.00 12.61 C ATOM 189 O SER A 24 20.908 0.413 16.498 1.00 11.59 O ATOM 190 CB SER A 24 18.164 0.131 14.678 1.00 14.13 C ATOM 191 OG SER A 24 18.917 1.190 14.108 1.00 17.20 O ATOM 192 N LEU A 25 20.536 -1.670 15.667 1.00 10.73 N ATOM 193 CA LEU A 25 21.962 -2.081 15.644 1.00 11.44 C ATOM 194 C LEU A 25 22.946 -1.051 15.106 1.00 10.38 C ATOM 195 O LEU A 25 23.975 -0.818 15.718 1.00 10.38 O ATOM 196 CB LEU A 25 22.169 -3.363 14.821 1.00 12.71 C ATOM 197 CG LEU A 25 22.965 -4.607 15.252 1.00 15.47 C ATOM 198 CD1 LEU A 25 23.641 -5.195 14.046 1.00 13.88 C ATOM 199 CD2 LEU A 25 23.943 -4.413 16.377 1.00 14.02 C ATOM 200 N GLY A 26 22.645 -0.471 13.947 1.00 10.01 N ATOM 201 CA GLY A 26 23.538 0.496 13.335 1.00 9.85 C ATOM 202 C GLY A 26 23.959 1.636 14.236 1.00 10.21 C ATOM 203 O GLY A 26 25.077 2.131 14.108 1.00 11.38 O ATOM 204 N ASN A 27 23.064 2.071 15.122 1.00 11.41 N ATOM 205 CA ASN A 27 23.351 3.165 16.046 1.00 10.86 C ATOM 206 C ASN A 27 24.535 2.796 16.926 1.00 10.19 C ATOM 207 O ASN A 27 25.392 3.622 17.197 1.00 10.39 O ATOM 208 CB ASN A 27 22.159 3.457 16.961 1.00 9.69 C ATOM 209 CG ASN A 27 21.068 4.215 16.268 1.00 11.01 C ATOM 210 OD1 ASN A 27 21.217 5.395 16.000 1.00 11.50 O ATOM 211 ND2 ASN A 27 19.950 3.547 15.991 1.00 10.61 N ATOM 212 N TRP A 28 24.561 1.550 17.381 1.00 10.24 N ATOM 213 CA TRP A 28 25.622 1.075 18.259 1.00 9.72 C ATOM 214 C TRP A 28 26.953 0.921 17.528 1.00 10.20 C ATOM 215 O TRP A 28 28.009 1.275 18.060 1.00 9.34 O ATOM 216 CB TRP A 28 25.210 -0.248 18.891 1.00 9.48 C ATOM 217 CG TRP A 28 23.921 -0.144 19.681 1.00 10.85 C ATOM 218 CD1 TRP A 28 22.670 -0.505 19.266 1.00 9.00 C ATOM 219 CD2 TRP A 28 23.783 0.291 21.049 1.00 11.94 C ATOM 220 NE1 TRP A 28 21.770 -0.340 20.292 1.00 12.21 N ATOM 221 CE2 TRP A 28 22.425 0.149 21.396 1.00 12.39 C ATOM 222 CE3 TRP A 28 24.689 0.781 22.009 1.00 12.38 C ATOM 223 CZ2 TRP A 28 21.936 0.473 22.675 1.00 14.33 C ATOM 224 CZ3 TRP A 28 24.199 1.103 23.296 1.00 14.47 C ATOM 225 CH2 TRP A 28 22.836 0.945 23.607 1.00 14.28 C ATOM 226 N VAL A 29 26.891 0.447 16.288 1.00 9.86 N ATOM 227 CA VAL A 29 28.102 0.275 15.483 1.00 10.19 C ATOM 228 C VAL A 29 28.699 1.663 15.128 1.00 9.29 C ATOM 229 O VAL A 29 29.928 1.880 15.182 1.00 10.37 O ATOM 230 CB VAL A 29 27.782 -0.538 14.194 1.00 9.35 C ATOM 231 CG1 VAL A 29 29.005 -0.564 13.287 1.00 9.32 C ATOM 232 CG2 VAL A 29 27.327 -1.962 14.559 1.00 8.10 C ATOM 233 N CYS A 30 27.812 2.595 14.809 1.00 9.15 N ATOM 234 CA CYS A 30 28.189 3.940 14.485 1.00 10.03 C ATOM 235 C CYS A 30 28.846 4.607 15.709 1.00 12.01 C ATOM 236 O CYS A 30 29.882 5.268 15.577 1.00 12.53 O ATOM 237 CB CYS A 30 26.938 4.712 14.045 1.00 11.69 C ATOM 238 SG CYS A 30 27.237 6.381 13.403 1.00 13.20 S ATOM 239 N ALA A 31 28.235 4.459 16.890 1.00 12.60 N ATOM 240 CA ALA A 31 28.786 5.012 18.127 1.00 11.48 C ATOM 241 C ALA A 31 30.213 4.463 18.344 1.00 10.34 C ATOM 242 O ALA A 31 31.164 5.222 18.581 1.00 10.94 O ATOM 243 CB ALA A 31 27.886 4.662 19.325 1.00 12.93 C ATOM 244 N ALA A 32 30.379 3.161 18.174 1.00 9.24 N ATOM 245 CA ALA A 32 31.679 2.520 18.354 1.00 11.38 C ATOM 246 C ALA A 32 32.711 3.080 17.380 1.00 11.07 C ATOM 247 O ALA A 32 33.870 3.303 17.746 1.00 9.51 O ATOM 248 CB ALA A 32 31.560 1.007 18.186 1.00 9.69 C ATOM 249 N LYS A 33 32.293 3.297 16.137 1.00 11.32 N ATOM 250 CA LYS A 33 33.192 3.835 15.132 1.00 11.47 C ATOM 251 C LYS A 33 33.798 5.181 15.519 1.00 11.69 C ATOM 252 O LYS A 33 35.019 5.343 15.458 1.00 12.28 O ATOM 253 CB LYS A 33 32.459 3.965 13.814 1.00 11.55 C ATOM 254 CG LYS A 33 33.181 4.804 12.773 1.00 14.31 C ATOM 255 CD LYS A 33 34.424 4.127 12.296 1.00 18.06 C ATOM 256 CE LYS A 33 35.170 5.009 11.257 1.00 19.03 C ATOM 257 NZ LYS A 33 36.455 4.384 10.855 1.00 19.88 N ATOM 258 N PHE A 34 32.965 6.120 15.978 1.00 11.66 N ATOM 259 CA PHE A 34 33.438 7.472 16.306 1.00 13.30 C ATOM 260 C PHE A 34 34.043 7.713 17.692 1.00 13.54 C ATOM 261 O PHE A 34 34.769 8.680 17.894 1.00 14.25 O ATOM 262 CB PHE A 34 32.364 8.510 15.929 1.00 13.53 C ATOM 263 CG PHE A 34 32.024 8.497 14.454 1.00 14.79 C ATOM 264 CD1 PHE A 34 32.892 9.065 13.526 1.00 18.28 C ATOM 265 CD2 PHE A 34 30.861 7.882 13.988 1.00 16.59 C ATOM 266 CE1 PHE A 34 32.613 9.021 12.165 1.00 17.52 C ATOM 267 CE2 PHE A 34 30.570 7.829 12.622 1.00 17.66 C ATOM 268 CZ PHE A 34 31.455 8.403 11.709 1.00 17.32 C ATOM 269 N GLU A 35 33.761 6.814 18.624 1.00 13.59 N ATOM 270 CA GLU A 35 34.305 6.854 19.984 1.00 14.24 C ATOM 271 C GLU A 35 35.703 6.194 20.047 1.00 15.04 C ATOM 272 O GLU A 35 36.651 6.806 20.530 1.00 16.09 O ATOM 273 CB GLU A 35 33.389 6.084 20.966 1.00 14.65 C ATOM 274 CG GLU A 35 32.033 6.716 21.263 1.00 15.57 C ATOM 275 CD GLU A 35 32.148 8.013 21.994 1.00 17.47 C ATOM 276 OE1 GLU A 35 33.180 8.248 22.654 1.00 21.31 O ATOM 277 OE2 GLU A 35 31.208 8.816 21.895 1.00 19.44 O ATOM 278 N SER A 36 35.843 4.969 19.527 1.00 14.29 N ATOM 279 CA SER A 36 37.109 4.232 19.592 1.00 13.56 C ATOM 280 C SER A 36 37.678 3.708 18.271 1.00 15.59 C ATOM 281 O SER A 36 38.720 3.047 18.273 1.00 16.03 O ATOM 282 CB SER A 36 36.890 2.998 20.438 1.00 13.02 C ATOM 283 OG SER A 36 36.002 2.122 19.740 1.00 11.67 O ATOM 284 N ASN A 37 36.949 3.907 17.176 1.00 15.84 N ATOM 285 CA ASN A 37 37.339 3.394 15.873 1.00 15.04 C ATOM 286 C ASN A 37 37.486 1.885 16.008 1.00 13.78 C ATOM 287 O ASN A 37 38.509 1.278 15.600 1.00 13.57 O ATOM 288 CB ASN A 37 38.623 4.048 15.366 1.00 19.24 C ATOM 289 CG ASN A 37 38.782 3.916 13.842 1.00 22.27 C ATOM 290 OD1 ASN A 37 37.814 3.667 13.107 1.00 22.24 O ATOM 291 ND2 ASN A 37 40.000 4.096 13.370 1.00 25.20 N ATOM 292 N PHE A 38 36.493 1.299 16.678 1.00 11.87 N ATOM 293 CA PHE A 38 36.407 -0.144 16.901 1.00 12.55 C ATOM 294 C PHE A 38 37.588 -0.818 17.633 1.00 12.60 C ATOM 295 O PHE A 38 37.816 -2.023 17.481 1.00 13.20 O ATOM 296 CB PHE A 38 36.194 -0.864 15.564 1.00 14.28 C ATOM 297 CG PHE A 38 35.092 -0.290 14.715 1.00 14.15 C ATOM 298 CD1 PHE A 38 33.846 0.000 15.256 1.00 14.52 C ATOM 299 CD2 PHE A 38 35.295 -0.084 13.348 1.00 14.94 C ATOM 300 CE1 PHE A 38 32.815 0.479 14.432 1.00 16.09 C ATOM 301 CE2 PHE A 38 34.284 0.388 12.537 1.00 13.02 C ATOM 302 CZ PHE A 38 33.044 0.668 13.076 1.00 13.02 C ATOM 303 N ASN A 39 38.317 -0.066 18.446 1.00 13.29 N ATOM 304 CA ASN A 39 39.462 -0.606 19.174 1.00 12.47 C ATOM 305 C ASN A 39 39.092 -0.809 20.651 1.00 11.81 C ATOM 306 O ASN A 39 38.792 0.178 21.365 1.00 11.56 O ATOM 307 CB ASN A 39 40.601 0.388 19.063 1.00 13.50 C ATOM 308 CG ASN A 39 41.930 -0.186 19.451 1.00 14.99 C ATOM 309 OD1 ASN A 39 42.096 -0.840 20.494 1.00 17.29 O ATOM 310 ND2 ASN A 39 42.921 0.091 18.621 1.00 20.85 N ATOM 311 N THR A 40 39.172 -2.057 21.108 1.00 9.57 N ATOM 312 CA THR A 40 38.831 -2.422 22.481 1.00 11.84 C ATOM 313 C THR A 40 39.761 -1.839 23.546 1.00 12.34 C ATOM 314 O THR A 40 39.391 -1.769 24.713 1.00 13.92 O ATOM 315 CB THR A 40 38.717 -3.987 22.710 1.00 13.28 C ATOM 316 OG1 THR A 40 39.990 -4.634 22.514 1.00 13.58 O ATOM 317 CG2 THR A 40 37.645 -4.622 21.797 1.00 10.91 C ATOM 318 N GLN A 41 40.955 -1.423 23.143 1.00 12.16 N ATOM 319 CA GLN A 41 41.945 -0.871 24.075 1.00 13.49 C ATOM 320 C GLN A 41 42.079 0.647 24.093 1.00 12.51 C ATOM 321 O GLN A 41 43.012 1.146 24.691 1.00 12.12 O ATOM 322 CB GLN A 41 43.325 -1.439 23.741 1.00 16.07 C ATOM 323 CG GLN A 41 43.396 -2.916 23.788 1.00 19.53 C ATOM 324 CD GLN A 41 44.306 -3.391 24.864 1.00 22.42 C ATOM 325 OE1 GLN A 41 45.385 -2.838 25.075 1.00 21.05 O ATOM 326 NE2 GLN A 41 43.890 -4.444 25.553 1.00 26.88 N ATOM 327 N ALA A 42 41.218 1.368 23.381 1.00 12.40 N ATOM 328 CA ALA A 42 41.289 2.829 23.356 1.00 12.46 C ATOM 329 C ALA A 42 41.058 3.402 24.771 1.00 15.28 C ATOM 330 O ALA A 42 40.181 2.924 25.504 1.00 14.76 O ATOM 331 CB ALA A 42 40.239 3.368 22.417 1.00 15.09 C ATOM 332 N THR A 43 41.885 4.363 25.183 1.00 15.22 N ATOM 333 CA THR A 43 41.737 5.006 26.495 1.00 17.11 C ATOM 334 C THR A 43 41.930 6.489 26.222 1.00 17.55 C ATOM 335 O THR A 43 42.613 6.864 25.267 1.00 18.13 O ATOM 336 CB THR A 43 42.749 4.526 27.534 1.00 18.18 C ATOM 337 OG1 THR A 43 44.070 4.670 27.004 1.00 23.34 O ATOM 338 CG2 THR A 43 42.518 3.078 27.891 1.00 16.41 C ATOM 339 N ASN A 44 41.335 7.337 27.040 1.00 17.65 N ATOM 340 CA ASN A 44 41.416 8.767 26.804 1.00 20.57 C ATOM 341 C ASN A 44 41.241 9.550 28.090 1.00 20.26 C ATOM 342 O ASN A 44 40.169 9.531 28.701 1.00 16.09 O ATOM 343 CB ASN A 44 40.315 9.167 25.808 1.00 25.47 C ATOM 344 CG ASN A 44 40.259 10.660 25.558 1.00 31.33 C ATOM 345 OD1 ASN A 44 39.436 11.387 26.152 1.00 36.21 O ATOM 346 ND2 ASN A 44 41.102 11.127 24.647 1.00 34.63 N ATOM 347 N ARG A 45 42.313 10.242 28.468 1.00 21.33 N ATOM 348 CA ARG A 45 42.370 11.049 29.675 1.00 22.25 C ATOM 349 C ARG A 45 41.578 12.318 29.526 1.00 19.78 C ATOM 350 O ARG A 45 41.681 12.996 28.504 1.00 20.37 O ATOM 351 CB ARG A 45 43.827 11.415 29.996 1.00 26.31 C ATOM 352 CG ARG A 45 44.601 10.394 30.822 1.00 33.63 C ATOM 353 CD ARG A 45 44.081 10.260 32.285 1.00 42.60 C ATOM 354 NE ARG A 45 43.811 11.512 33.031 1.00 49.23 N ATOM 355 CZ ARG A 45 44.713 12.452 33.341 1.00 51.48 C ATOM 356 NH1 ARG A 45 45.987 12.333 32.962 1.00 53.20 N ATOM 357 NH2 ARG A 45 44.354 13.484 34.105 1.00 52.09 N ATOM 358 N ASN A 46 40.848 12.662 30.584 1.00 19.47 N ATOM 359 CA ASN A 46 40.022 13.872 30.630 1.00 19.22 C ATOM 360 C ASN A 46 40.547 14.873 31.663 1.00 17.76 C ATOM 361 O ASN A 46 41.174 14.490 32.652 1.00 16.32 O ATOM 362 CB ASN A 46 38.545 13.528 30.918 1.00 18.42 C ATOM 363 CG ASN A 46 37.941 12.601 29.883 1.00 17.36 C ATOM 364 OD1 ASN A 46 37.526 11.503 30.203 1.00 20.73 O ATOM 365 ND2 ASN A 46 37.908 13.029 28.646 1.00 18.71 N ATOM 366 N THR A 47 40.231 16.149 31.447 1.00 17.89 N ATOM 367 CA THR A 47 40.686 17.226 32.318 1.00 18.49 C ATOM 368 C THR A 47 40.333 17.073 33.778 1.00 17.52 C ATOM 369 O THR A 47 41.034 17.580 34.631 1.00 20.59 O ATOM 370 CB THR A 47 40.185 18.632 31.821 1.00 19.85 C ATOM 371 OG1 THR A 47 38.760 18.706 31.905 1.00 20.95 O ATOM 372 CG2 THR A 47 40.619 18.874 30.359 1.00 20.43 C ATOM 373 N ASP A 48 39.238 16.393 34.064 1.00 18.61 N ATOM 374 CA ASP A 48 38.774 16.211 35.428 1.00 18.00 C ATOM 375 C ASP A 48 39.407 15.022 36.128 1.00 17.30 C ATOM 376 O ASP A 48 39.002 14.669 37.234 1.00 20.96 O ATOM 377 CB ASP A 48 37.251 16.078 35.430 1.00 18.87 C ATOM 378 CG ASP A 48 36.768 14.742 34.852 1.00 20.14 C ATOM 379 OD1 ASP A 48 37.470 14.134 34.016 1.00 18.58 O ATOM 380 OD2 ASP A 48 35.670 14.299 35.246 1.00 23.86 O ATOM 381 N GLY A 49 40.389 14.392 35.496 1.00 15.90 N ATOM 382 CA GLY A 49 41.029 13.241 36.107 1.00 16.18 C ATOM 383 C GLY A 49 40.436 11.873 35.764 1.00 15.37 C ATOM 384 O GLY A 49 40.995 10.852 36.154 1.00 16.49 O ATOM 385 N SER A 50 39.301 11.842 35.067 1.00 15.61 N ATOM 386 CA SER A 50 38.659 10.587 34.677 1.00 13.14 C ATOM 387 C SER A 50 39.267 10.103 33.359 1.00 12.69 C ATOM 388 O SER A 50 40.009 10.852 32.702 1.00 14.11 O ATOM 389 CB SER A 50 37.149 10.787 34.493 1.00 10.38 C ATOM 390 OG SER A 50 36.852 11.670 33.422 1.00 12.01 O ATOM 391 N THR A 51 38.922 8.881 32.963 1.00 11.49 N ATOM 392 CA THR A 51 39.410 8.289 31.726 1.00 11.55 C ATOM 393 C THR A 51 38.268 7.502 31.117 1.00 12.60 C ATOM 394 O THR A 51 37.438 6.924 31.848 1.00 12.41 O ATOM 395 CB THR A 51 40.603 7.321 31.990 1.00 14.79 C ATOM 396 OG1 THR A 51 41.667 8.027 32.658 1.00 16.48 O ATOM 397 CG2 THR A 51 41.154 6.669 30.672 1.00 13.50 C ATOM 398 N ASP A 52 38.201 7.528 29.781 1.00 11.96 N ATOM 399 CA ASP A 52 37.201 6.786 29.011 1.00 11.03 C ATOM 400 C ASP A 52 37.885 5.490 28.583 1.00 11.07 C ATOM 401 O ASP A 52 39.029 5.500 28.123 1.00 11.16 O ATOM 402 CB ASP A 52 36.755 7.577 27.777 1.00 13.06 C ATOM 403 CG ASP A 52 36.290 8.973 28.126 1.00 16.12 C ATOM 404 OD1 ASP A 52 35.482 9.092 29.061 1.00 17.69 O ATOM 405 OD2 ASP A 52 36.752 9.951 27.504 1.00 19.26 O ATOM 406 N TYR A 53 37.168 4.386 28.705 1.00 10.42 N ATOM 407 CA TYR A 53 37.711 3.082 28.406 1.00 10.93 C ATOM 408 C TYR A 53 36.954 2.228 27.378 1.00 11.12 C ATOM 409 O TYR A 53 35.731 2.158 27.398 1.00 8.89 O ATOM 410 CB TYR A 53 37.755 2.260 29.703 1.00 11.32 C ATOM 411 CG TYR A 53 38.724 2.757 30.754 1.00 11.15 C ATOM 412 CD1 TYR A 53 38.336 3.724 31.697 1.00 10.04 C ATOM 413 CD2 TYR A 53 40.027 2.249 30.813 1.00 11.21 C ATOM 414 CE1 TYR A 53 39.225 4.167 32.669 1.00 10.99 C ATOM 415 CE2 TYR A 53 40.927 2.685 31.782 1.00 11.53 C ATOM 416 CZ TYR A 53 40.519 3.639 32.703 1.00 10.89 C ATOM 417 OH TYR A 53 41.418 4.061 33.640 1.00 11.78 O ATOM 418 N GLY A 54 37.724 1.503 26.565 1.00 13.02 N ATOM 419 CA GLY A 54 37.167 0.566 25.604 1.00 11.78 C ATOM 420 C GLY A 54 36.463 1.038 24.349 1.00 11.66 C ATOM 421 O GLY A 54 36.446 2.232 24.023 1.00 10.79 O ATOM 422 N ILE A 55 35.788 0.079 23.717 1.00 12.23 N ATOM 423 CA ILE A 55 35.082 0.277 22.460 1.00 12.92 C ATOM 424 C ILE A 55 33.983 1.368 22.461 1.00 12.85 C ATOM 425 O ILE A 55 33.732 2.020 21.435 1.00 12.40 O ATOM 426 CB ILE A 55 34.566 -1.109 21.926 1.00 14.75 C ATOM 427 CG1 ILE A 55 34.202 -1.014 20.447 1.00 14.37 C ATOM 428 CG2 ILE A 55 33.368 -1.625 22.764 1.00 15.11 C ATOM 429 CD1 ILE A 55 34.564 -2.236 19.680 1.00 15.42 C ATOM 430 N LEU A 56 33.352 1.591 23.614 1.00 11.46 N ATOM 431 CA LEU A 56 32.307 2.617 23.737 1.00 11.95 C ATOM 432 C LEU A 56 32.748 3.787 24.629 1.00 13.10 C ATOM 433 O LEU A 56 31.918 4.568 25.083 1.00 12.55 O ATOM 434 CB LEU A 56 31.022 1.998 24.282 1.00 12.91 C ATOM 435 CG LEU A 56 29.743 1.872 23.433 1.00 19.92 C ATOM 436 CD1 LEU A 56 29.920 2.241 21.955 1.00 19.02 C ATOM 437 CD2 LEU A 56 29.143 0.461 23.629 1.00 17.90 C ATOM 438 N GLN A 57 34.039 3.843 24.958 1.00 11.53 N ATOM 439 CA GLN A 57 34.593 4.924 25.752 1.00 10.53 C ATOM 440 C GLN A 57 33.779 5.276 27.013 1.00 9.91 C ATOM 441 O GLN A 57 33.400 6.441 27.205 1.00 9.67 O ATOM 442 CB GLN A 57 34.773 6.169 24.863 1.00 12.12 C ATOM 443 CG GLN A 57 35.839 5.989 23.777 1.00 13.40 C ATOM 444 CD GLN A 57 37.238 5.961 24.363 1.00 11.23 C ATOM 445 OE1 GLN A 57 37.816 6.999 24.590 1.00 12.60 O ATOM 446 NE2 GLN A 57 37.779 4.771 24.615 1.00 9.01 N ATOM 447 N ILE A 58 33.586 4.267 27.862 1.00 7.35 N ATOM 448 CA ILE A 58 32.857 4.369 29.110 1.00 11.47 C ATOM 449 C ILE A 58 33.738 5.060 30.191 1.00 12.02 C ATOM 450 O ILE A 58 34.910 4.702 30.434 1.00 12.14 O ATOM 451 CB ILE A 58 32.336 2.959 29.490 1.00 9.83 C ATOM 452 CG1 ILE A 58 31.247 2.572 28.483 1.00 11.89 C ATOM 453 CG2 ILE A 58 31.779 2.921 30.908 1.00 12.90 C ATOM 454 CD1 ILE A 58 30.865 1.115 28.489 1.00 12.25 C ATOM 455 N ASN A 59 33.161 6.075 30.812 1.00 12.20 N ATOM 456 CA ASN A 59 33.871 6.919 31.765 1.00 13.92 C ATOM 457 C ASN A 59 34.004 6.441 33.215 1.00 12.41 C ATOM 458 O ASN A 59 33.013 6.064 33.841 1.00 14.31 O ATOM 459 CB ASN A 59 33.228 8.316 31.729 1.00 15.72 C ATOM 460 CG ASN A 59 34.046 9.363 32.474 1.00 18.11 C ATOM 461 OD1 ASN A 59 33.797 9.650 33.649 1.00 18.48 O ATOM 462 ND2 ASN A 59 35.018 9.953 31.782 1.00 19.65 N ATOM 463 N SER A 60 35.209 6.596 33.772 1.00 12.79 N ATOM 464 CA SER A 60 35.520 6.188 35.154 1.00 11.19 C ATOM 465 C SER A 60 34.948 7.085 36.269 1.00 11.42 C ATOM 466 O SER A 60 35.037 6.734 37.444 1.00 11.15 O ATOM 467 CB SER A 60 37.039 6.035 35.335 1.00 9.45 C ATOM 468 OG SER A 60 37.687 7.285 35.211 1.00 8.17 O ATOM 469 N ARG A 61 34.420 8.251 35.919 1.00 12.18 N ATOM 470 CA ARG A 61 33.808 9.129 36.913 1.00 16.13 C ATOM 471 C ARG A 61 32.548 8.498 37.538 1.00 15.98 C ATOM 472 O ARG A 61 32.295 8.639 38.741 1.00 17.79 O ATOM 473 CB ARG A 61 33.437 10.461 36.269 1.00 18.56 C ATOM 474 CG ARG A 61 34.469 11.540 36.469 1.00 27.81 C ATOM 475 CD ARG A 61 34.060 12.507 37.586 1.00 30.33 C ATOM 476 NE ARG A 61 33.199 11.846 38.552 1.00 32.35 N ATOM 477 CZ ARG A 61 32.155 12.425 39.141 1.00 36.08 C ATOM 478 NH1 ARG A 61 31.841 13.698 38.866 1.00 36.51 N ATOM 479 NH2 ARG A 61 31.412 11.724 40.002 1.00 36.04 N ATOM 480 N TRP A 62 31.790 7.736 36.748 1.00 13.55 N ATOM 481 CA TRP A 62 30.554 7.130 37.256 1.00 12.05 C ATOM 482 C TRP A 62 30.401 5.621 37.124 1.00 12.04 C ATOM 483 O TRP A 62 29.776 4.979 37.954 1.00 11.72 O ATOM 484 CB TRP A 62 29.368 7.656 36.457 1.00 11.83 C ATOM 485 CG TRP A 62 29.286 9.085 36.313 1.00 15.32 C ATOM 486 CD1 TRP A 62 29.464 9.797 35.181 1.00 15.86 C ATOM 487 CD2 TRP A 62 28.985 10.013 37.343 1.00 18.18 C ATOM 488 NE1 TRP A 62 29.294 11.128 35.433 1.00 19.28 N ATOM 489 CE2 TRP A 62 29.000 11.296 36.757 1.00 20.72 C ATOM 490 CE3 TRP A 62 28.698 9.886 38.708 1.00 20.86 C ATOM 491 CZ2 TRP A 62 28.749 12.468 37.492 1.00 24.26 C ATOM 492 CZ3 TRP A 62 28.443 11.045 39.443 1.00 26.24 C ATOM 493 CH2 TRP A 62 28.472 12.326 38.826 1.00 25.01 C ATOM 494 N TRP A 63 30.959 5.072 36.052 1.00 11.83 N ATOM 495 CA TRP A 63 30.691 3.688 35.684 1.00 11.96 C ATOM 496 C TRP A 63 31.630 2.575 36.012 1.00 11.04 C ATOM 497 O TRP A 63 31.178 1.435 36.120 1.00 13.02 O ATOM 498 CB TRP A 63 30.334 3.648 34.173 1.00 11.67 C ATOM 499 CG TRP A 63 29.367 4.761 33.763 1.00 11.52 C ATOM 500 CD1 TRP A 63 29.671 5.910 33.087 1.00 12.08 C ATOM 501 CD2 TRP A 63 27.974 4.837 34.063 1.00 10.03 C ATOM 502 NE1 TRP A 63 28.555 6.692 32.956 1.00 12.02 N ATOM 503 CE2 TRP A 63 27.500 6.063 33.546 1.00 11.01 C ATOM 504 CE3 TRP A 63 27.079 3.995 34.731 1.00 12.43 C ATOM 505 CZ2 TRP A 63 26.181 6.461 33.672 1.00 9.92 C ATOM 506 CZ3 TRP A 63 25.760 4.402 34.856 1.00 10.36 C ATOM 507 CH2 TRP A 63 25.331 5.624 34.329 1.00 10.73 C ATOM 508 N CYS A 64 32.923 2.843 36.062 1.00 9.93 N ATOM 509 CA CYS A 64 33.844 1.775 36.427 1.00 11.61 C ATOM 510 C CYS A 64 34.885 2.277 37.395 1.00 11.23 C ATOM 511 O CYS A 64 35.030 3.473 37.586 1.00 12.49 O ATOM 512 CB CYS A 64 34.510 1.157 35.187 1.00 11.67 C ATOM 513 SG CYS A 64 35.490 2.318 34.229 1.00 13.73 S ATOM 514 N ASN A 65 35.587 1.359 38.036 1.00 12.25 N ATOM 515 CA ASN A 65 36.626 1.756 38.975 1.00 12.93 C ATOM 516 C ASN A 65 38.050 1.539 38.443 1.00 12.01 C ATOM 517 O ASN A 65 38.425 0.424 38.075 1.00 11.47 O ATOM 518 CB ASN A 65 36.448 1.013 40.310 1.00 15.71 C ATOM 519 CG ASN A 65 37.582 1.305 41.293 1.00 16.85 C ATOM 520 OD1 ASN A 65 37.997 2.453 41.457 1.00 18.01 O ATOM 521 ND2 ASN A 65 38.077 0.269 41.943 1.00 22.78 N ATOM 522 N ASP A 66 38.830 2.614 38.387 1.00 12.81 N ATOM 523 CA ASP A 66 40.228 2.541 37.930 1.00 12.76 C ATOM 524 C ASP A 66 41.239 2.924 39.038 1.00 15.38 C ATOM 525 O ASP A 66 42.469 3.007 38.780 1.00 14.64 O ATOM 526 CB ASP A 66 40.450 3.379 36.650 1.00 12.09 C ATOM 527 CG ASP A 66 40.299 4.899 36.863 1.00 12.21 C ATOM 528 OD1 ASP A 66 39.965 5.380 37.973 1.00 10.45 O ATOM 529 OD2 ASP A 66 40.519 5.633 35.868 1.00 13.32 O ATOM 530 N GLY A 67 40.718 3.201 40.247 1.00 15.44 N ATOM 531 CA GLY A 67 41.559 3.552 41.380 1.00 14.01 C ATOM 532 C GLY A 67 42.248 4.907 41.295 1.00 17.52 C ATOM 533 O GLY A 67 42.961 5.313 42.229 1.00 17.47 O ATOM 534 N ARG A 68 41.992 5.659 40.235 1.00 15.88 N ATOM 535 CA ARG A 68 42.659 6.927 40.089 1.00 18.06 C ATOM 536 C ARG A 68 41.769 8.105 39.724 1.00 18.52 C ATOM 537 O ARG A 68 42.272 9.145 39.308 1.00 20.88 O ATOM 538 CB ARG A 68 43.827 6.772 39.105 1.00 20.05 C ATOM 539 CG ARG A 68 43.432 6.386 37.696 1.00 24.73 C ATOM 540 CD ARG A 68 44.608 5.815 36.943 1.00 31.15 C ATOM 541 NE ARG A 68 45.030 6.556 35.746 1.00 36.96 N ATOM 542 CZ ARG A 68 44.973 7.878 35.566 1.00 41.23 C ATOM 543 NH1 ARG A 68 44.471 8.702 36.488 1.00 43.16 N ATOM 544 NH2 ARG A 68 45.559 8.406 34.493 1.00 43.11 N ATOM 545 N THR A 69 40.454 7.965 39.906 1.00 17.59 N ATOM 546 CA THR A 69 39.527 9.044 39.592 1.00 17.14 C ATOM 547 C THR A 69 38.953 9.421 40.949 1.00 19.64 C ATOM 548 O THR A 69 37.955 8.835 41.396 1.00 17.41 O ATOM 549 CB THR A 69 38.436 8.563 38.612 1.00 13.06 C ATOM 550 OG1 THR A 69 39.065 7.945 37.485 1.00 11.59 O ATOM 551 CG2 THR A 69 37.596 9.722 38.138 1.00 12.61 C ATOM 552 N PRO A 70 39.578 10.415 41.625 1.00 24.22 N ATOM 553 CA PRO A 70 39.184 10.906 42.961 1.00 26.02 C ATOM 554 C PRO A 70 37.713 11.275 43.090 1.00 25.70 C ATOM 555 O PRO A 70 37.212 12.114 42.328 1.00 26.19 O ATOM 556 CB PRO A 70 40.100 12.124 43.180 1.00 27.40 C ATOM 557 CG PRO A 70 41.248 11.880 42.250 1.00 28.19 C ATOM 558 CD PRO A 70 40.558 11.337 41.025 1.00 25.25 C ATOM 559 N GLY A 71 37.041 10.583 44.014 1.00 24.68 N ATOM 560 CA GLY A 71 35.632 10.789 44.301 1.00 25.61 C ATOM 561 C GLY A 71 34.647 10.375 43.227 1.00 25.39 C ATOM 562 O GLY A 71 33.633 11.058 43.063 1.00 26.65 O ATOM 563 N SER A 72 34.889 9.226 42.586 1.00 25.05 N ATOM 564 CA SER A 72 34.057 8.703 41.486 1.00 24.78 C ATOM 565 C SER A 72 33.030 7.643 41.932 1.00 26.41 C ATOM 566 O SER A 72 33.005 7.300 43.128 1.00 26.75 O ATOM 567 CB SER A 72 34.966 8.150 40.394 1.00 23.32 C ATOM 568 OG SER A 72 35.860 7.189 40.920 1.00 22.46 O ATOM 569 N ARG A 73 32.265 7.051 40.996 1.00 25.30 N ATOM 570 CA ARG A 73 31.212 6.101 41.397 1.00 26.63 C ATOM 571 C ARG A 73 31.022 4.612 41.044 1.00 26.88 C ATOM 572 O ARG A 73 30.138 3.988 41.649 1.00 31.70 O ATOM 573 CB ARG A 73 29.836 6.781 41.269 1.00 28.03 C ATOM 574 CG ARG A 73 29.700 8.021 42.140 1.00 32.13 C ATOM 575 CD ARG A 73 28.290 8.247 42.628 1.00 36.87 C ATOM 576 NE ARG A 73 27.930 7.441 43.801 1.00 42.50 N ATOM 577 CZ ARG A 73 28.207 7.765 45.068 1.00 44.09 C ATOM 578 NH1 ARG A 73 28.877 8.879 45.355 1.00 43.47 N ATOM 579 NH2 ARG A 73 27.719 7.018 46.060 1.00 45.59 N ATOM 580 N ASN A 74 31.759 4.014 40.123 1.00 23.06 N ATOM 581 CA ASN A 74 31.537 2.577 39.817 1.00 19.44 C ATOM 582 C ASN A 74 30.089 1.992 39.720 1.00 18.91 C ATOM 583 O ASN A 74 29.810 0.912 40.250 1.00 17.86 O ATOM 584 CB ASN A 74 32.356 1.687 40.765 1.00 19.02 C ATOM 585 CG ASN A 74 32.665 0.319 40.157 1.00 19.94 C ATOM 586 OD1 ASN A 74 32.376 0.076 38.976 1.00 19.29 O ATOM 587 ND2 ASN A 74 33.271 -0.565 40.940 1.00 17.21 N ATOM 588 N LEU A 75 29.220 2.603 38.925 1.00 17.55 N ATOM 589 CA LEU A 75 27.840 2.144 38.809 1.00 15.90 C ATOM 590 C LEU A 75 27.649 0.843 38.030 1.00 14.87 C ATOM 591 O LEU A 75 26.603 0.194 38.142 1.00 12.69 O ATOM 592 CB LEU A 75 26.946 3.261 38.258 1.00 16.76 C ATOM 593 CG LEU A 75 26.065 4.124 39.179 1.00 19.19 C ATOM 594 CD1 LEU A 75 26.342 3.866 40.679 1.00 19.05 C ATOM 595 CD2 LEU A 75 26.172 5.580 38.793 1.00 17.71 C ATOM 596 N CYS A 76 28.645 0.458 37.241 1.00 12.97 N ATOM 597 CA CYS A 76 28.544 -0.813 36.530 1.00 13.41 C ATOM 598 C CYS A 76 29.138 -1.923 37.363 1.00 13.82 C ATOM 599 O CYS A 76 29.068 -3.098 36.973 1.00 13.10 O ATOM 600 CB CYS A 76 29.200 -0.760 35.144 1.00 12.72 C ATOM 601 SG CYS A 76 28.155 0.114 33.966 1.00 11.79 S ATOM 602 N ASN A 77 29.706 -1.542 38.510 1.00 14.48 N ATOM 603 CA ASN A 77 30.299 -2.479 39.463 1.00 18.48 C ATOM 604 C ASN A 77 31.398 -3.259 38.755 1.00 19.33 C ATOM 605 O ASN A 77 31.431 -4.501 38.809 1.00 19.27 O ATOM 606 CB ASN A 77 29.202 -3.440 39.962 1.00 23.45 C ATOM 607 CG ASN A 77 29.634 -4.281 41.169 1.00 28.44 C ATOM 608 OD1 ASN A 77 29.223 -5.454 41.307 1.00 31.19 O ATOM 609 ND2 ASN A 77 30.414 -3.681 42.071 1.00 27.75 N ATOM 610 N ILE A 78 32.325 -2.541 38.125 1.00 17.33 N ATOM 611 CA ILE A 78 33.346 -3.220 37.363 1.00 18.50 C ATOM 612 C ILE A 78 34.676 -2.483 37.304 1.00 16.80 C ATOM 613 O ILE A 78 34.697 -1.264 37.458 1.00 17.07 O ATOM 614 CB ILE A 78 32.756 -3.519 35.872 1.00 21.05 C ATOM 615 CG1 ILE A 78 33.259 -4.866 35.376 1.00 23.54 C ATOM 616 CG2 ILE A 78 32.995 -2.357 34.837 1.00 16.96 C ATOM 617 CD1 ILE A 78 32.740 -5.246 34.015 1.00 28.10 C ATOM 618 N PRO A 79 35.807 -3.227 37.331 1.00 14.66 N ATOM 619 CA PRO A 79 37.088 -2.517 37.230 1.00 14.86 C ATOM 620 C PRO A 79 37.136 -2.015 35.760 1.00 14.04 C ATOM 621 O PRO A 79 36.667 -2.689 34.819 1.00 15.37 O ATOM 622 CB PRO A 79 38.134 -3.620 37.472 1.00 15.93 C ATOM 623 CG PRO A 79 37.406 -4.899 37.071 1.00 16.34 C ATOM 624 CD PRO A 79 36.004 -4.667 37.585 1.00 13.43 C ATOM 625 N CYS A 80 37.636 -0.820 35.558 1.00 13.20 N ATOM 626 CA CYS A 80 37.694 -0.261 34.220 1.00 11.15 C ATOM 627 C CYS A 80 38.447 -1.143 33.224 1.00 14.28 C ATOM 628 O CYS A 80 38.146 -1.110 32.012 1.00 13.32 O ATOM 629 CB CYS A 80 38.307 1.122 34.285 1.00 11.61 C ATOM 630 SG CYS A 80 37.310 2.336 35.166 1.00 10.96 S ATOM 631 N SER A 81 39.398 -1.947 33.727 1.00 14.37 N ATOM 632 CA SER A 81 40.194 -2.831 32.871 1.00 17.05 C ATOM 633 C SER A 81 39.344 -3.896 32.168 1.00 14.86 C ATOM 634 O SER A 81 39.655 -4.297 31.039 1.00 16.94 O ATOM 635 CB SER A 81 41.308 -3.487 33.659 1.00 16.34 C ATOM 636 OG SER A 81 40.773 -4.165 34.770 1.00 20.87 O ATOM 637 N ALA A 82 38.243 -4.308 32.797 1.00 13.04 N ATOM 638 CA ALA A 82 37.350 -5.291 32.189 1.00 13.40 C ATOM 639 C ALA A 82 36.784 -4.733 30.867 1.00 12.08 C ATOM 640 O ALA A 82 36.353 -5.477 29.982 1.00 10.40 O ATOM 641 CB ALA A 82 36.235 -5.608 33.149 1.00 13.52 C ATOM 642 N LEU A 83 36.770 -3.410 30.753 1.00 11.02 N ATOM 643 CA LEU A 83 36.291 -2.767 29.548 1.00 11.85 C ATOM 644 C LEU A 83 37.311 -2.772 28.419 1.00 14.42 C ATOM 645 O LEU A 83 36.953 -2.392 27.313 1.00 15.84 O ATOM 646 CB LEU A 83 35.872 -1.328 29.841 1.00 13.13 C ATOM 647 CG LEU A 83 34.803 -1.168 30.926 1.00 12.60 C ATOM 648 CD1 LEU A 83 34.573 0.331 31.171 1.00 11.44 C ATOM 649 CD2 LEU A 83 33.505 -1.950 30.545 1.00 13.03 C ATOM 650 N LEU A 84 38.566 -3.178 28.670 1.00 14.07 N ATOM 651 CA LEU A 84 39.578 -3.193 27.600 1.00 16.65 C ATOM 652 C LEU A 84 39.766 -4.585 26.975 1.00 20.16 C ATOM 653 O LEU A 84 40.641 -4.802 26.129 1.00 21.73 O ATOM 654 CB LEU A 84 40.916 -2.674 28.108 1.00 15.10 C ATOM 655 CG LEU A 84 40.939 -1.279 28.731 1.00 12.89 C ATOM 656 CD1 LEU A 84 42.281 -1.033 29.413 1.00 13.42 C ATOM 657 CD2 LEU A 84 40.630 -0.221 27.684 1.00 13.75 C ATOM 658 N SER A 85 38.908 -5.514 27.367 1.00 21.53 N ATOM 659 CA SER A 85 38.967 -6.881 26.871 1.00 21.80 C ATOM 660 C SER A 85 38.619 -7.060 25.376 1.00 22.05 C ATOM 661 O SER A 85 37.977 -6.203 24.729 1.00 21.33 O ATOM 662 CB SER A 85 38.012 -7.739 27.726 1.00 22.97 C ATOM 663 OG SER A 85 37.993 -9.113 27.352 1.00 24.02 O ATOM 664 N SER A 86 39.022 -8.216 24.849 1.00 21.94 N ATOM 665 CA SER A 86 38.713 -8.597 23.477 1.00 21.12 C ATOM 666 C SER A 86 37.242 -8.998 23.445 1.00 19.82 C ATOM 667 O SER A 86 36.590 -8.844 22.421 1.00 21.51 O ATOM 668 CB SER A 86 39.577 -9.781 23.041 1.00 21.67 C ATOM 669 OG SER A 86 40.891 -9.324 22.767 1.00 28.56 O ATOM 670 N ASP A 87 36.754 -9.511 24.581 1.00 17.81 N ATOM 671 CA ASP A 87 35.370 -9.955 24.798 1.00 18.71 C ATOM 672 C ASP A 87 34.589 -8.678 25.178 1.00 17.87 C ATOM 673 O ASP A 87 34.815 -8.100 26.252 1.00 18.60 O ATOM 674 CB ASP A 87 35.350 -10.994 25.955 1.00 20.37 C ATOM 675 CG ASP A 87 33.934 -11.528 26.305 1.00 22.67 C ATOM 676 OD1 ASP A 87 32.913 -11.056 25.766 1.00 24.62 O ATOM 677 OD2 ASP A 87 33.848 -12.441 27.159 1.00 26.01 O ATOM 678 N ILE A 88 33.664 -8.248 24.324 1.00 15.55 N ATOM 679 CA ILE A 88 32.924 -7.008 24.588 1.00 15.56 C ATOM 680 C ILE A 88 31.773 -7.151 25.575 1.00 15.09 C ATOM 681 O ILE A 88 31.050 -6.180 25.802 1.00 13.72 O ATOM 682 CB ILE A 88 32.365 -6.348 23.284 1.00 15.56 C ATOM 683 CG1 ILE A 88 31.306 -7.242 22.609 1.00 16.72 C ATOM 684 CG2 ILE A 88 33.497 -6.087 22.323 1.00 19.67 C ATOM 685 CD1 ILE A 88 30.587 -6.580 21.433 1.00 17.41 C ATOM 686 N THR A 89 31.635 -8.330 26.190 1.00 14.46 N ATOM 687 CA THR A 89 30.547 -8.602 27.140 1.00 15.23 C ATOM 688 C THR A 89 30.431 -7.534 28.226 1.00 13.87 C ATOM 689 O THR A 89 29.356 -6.957 28.408 1.00 12.01 O ATOM 690 CB THR A 89 30.701 -10.006 27.783 1.00 17.39 C ATOM 691 OG1 THR A 89 30.559 -11.010 26.764 1.00 17.23 O ATOM 692 CG2 THR A 89 29.652 -10.240 28.881 1.00 18.37 C ATOM 693 N ALA A 90 31.549 -7.241 28.893 1.00 13.37 N ATOM 694 CA ALA A 90 31.598 -6.240 29.951 1.00 12.02 C ATOM 695 C ALA A 90 31.195 -4.861 29.452 1.00 11.26 C ATOM 696 O ALA A 90 30.402 -4.139 30.093 1.00 10.49 O ATOM 697 CB ALA A 90 32.987 -6.202 30.541 1.00 11.37 C ATOM 698 N SER A 91 31.706 -4.494 28.295 1.00 9.13 N ATOM 699 CA SER A 91 31.377 -3.199 27.713 1.00 10.95 C ATOM 700 C SER A 91 29.906 -3.098 27.365 1.00 11.04 C ATOM 701 O SER A 91 29.276 -2.055 27.632 1.00 10.56 O ATOM 702 CB SER A 91 32.211 -2.908 26.433 1.00 9.92 C ATOM 703 OG SER A 91 33.505 -2.462 26.783 1.00 13.92 O ATOM 704 N VAL A 92 29.374 -4.151 26.735 1.00 11.69 N ATOM 705 CA VAL A 92 27.978 -4.183 26.322 1.00 10.80 C ATOM 706 C VAL A 92 27.021 -4.135 27.520 1.00 11.71 C ATOM 707 O VAL A 92 26.055 -3.355 27.523 1.00 11.59 O ATOM 708 CB VAL A 92 27.709 -5.392 25.426 1.00 11.35 C ATOM 709 CG1 VAL A 92 26.199 -5.566 25.190 1.00 13.40 C ATOM 710 CG2 VAL A 92 28.430 -5.186 24.088 1.00 11.25 C ATOM 711 N ASN A 93 27.350 -4.872 28.571 1.00 11.03 N ATOM 712 CA ASN A 93 26.506 -4.917 29.762 1.00 12.93 C ATOM 713 C ASN A 93 26.456 -3.565 30.459 1.00 11.92 C ATOM 714 O ASN A 93 25.411 -3.120 30.943 1.00 11.55 O ATOM 715 CB ASN A 93 27.008 -5.999 30.721 1.00 16.23 C ATOM 716 CG ASN A 93 26.598 -7.380 30.299 1.00 18.86 C ATOM 717 OD1 ASN A 93 25.648 -7.541 29.541 1.00 23.56 O ATOM 718 ND2 ASN A 93 27.331 -8.390 30.748 1.00 21.94 N ATOM 719 N CYS A 94 27.597 -2.899 30.506 1.00 12.08 N ATOM 720 CA CYS A 94 27.651 -1.604 31.128 1.00 11.61 C ATOM 721 C CYS A 94 26.912 -0.568 30.252 1.00 11.55 C ATOM 722 O CYS A 94 26.153 0.247 30.792 1.00 13.36 O ATOM 723 CB CYS A 94 29.109 -1.211 31.414 1.00 11.00 C ATOM 724 SG CYS A 94 29.327 0.337 32.336 1.00 12.45 S ATOM 725 N ALA A 95 27.101 -0.600 28.921 1.00 11.37 N ATOM 726 CA ALA A 95 26.395 0.336 27.992 1.00 10.77 C ATOM 727 C ALA A 95 24.852 0.187 28.108 1.00 11.08 C ATOM 728 O ALA A 95 24.123 1.165 28.025 1.00 10.40 O ATOM 729 CB ALA A 95 26.852 0.117 26.548 1.00 11.34 C ATOM 730 N LYS A 96 24.375 -1.041 28.338 1.00 10.91 N ATOM 731 CA LYS A 96 22.947 -1.271 28.516 1.00 11.93 C ATOM 732 C LYS A 96 22.470 -0.539 29.778 1.00 12.52 C ATOM 733 O LYS A 96 21.365 0.007 29.796 1.00 15.23 O ATOM 734 CB LYS A 96 22.674 -2.761 28.639 1.00 12.75 C ATOM 735 CG LYS A 96 22.746 -3.517 27.321 1.00 13.00 C ATOM 736 CD LYS A 96 22.492 -4.983 27.582 1.00 13.83 C ATOM 737 CE LYS A 96 22.232 -5.737 26.283 1.00 17.01 C ATOM 738 NZ LYS A 96 22.093 -7.223 26.484 1.00 18.35 N ATOM 739 N LYS A 97 23.294 -0.524 30.824 1.00 10.69 N ATOM 740 CA LYS A 97 22.944 0.189 32.053 1.00 12.08 C ATOM 741 C LYS A 97 22.980 1.702 31.837 1.00 12.94 C ATOM 742 O LYS A 97 22.110 2.408 32.332 1.00 14.54 O ATOM 743 CB LYS A 97 23.872 -0.172 33.203 1.00 12.39 C ATOM 744 CG LYS A 97 23.786 -1.614 33.685 1.00 15.83 C ATOM 745 CD LYS A 97 24.897 -1.857 34.696 1.00 17.43 C ATOM 746 CE LYS A 97 25.256 -3.315 34.810 1.00 22.37 C ATOM 747 NZ LYS A 97 24.153 -4.245 35.103 1.00 26.48 N ATOM 748 N ILE A 98 23.986 2.219 31.139 1.00 13.29 N ATOM 749 CA ILE A 98 24.074 3.672 30.873 1.00 15.36 C ATOM 750 C ILE A 98 22.849 4.196 30.093 1.00 16.61 C ATOM 751 O ILE A 98 22.289 5.260 30.400 1.00 15.36 O ATOM 752 CB ILE A 98 25.385 4.037 30.071 1.00 12.86 C ATOM 753 CG1 ILE A 98 26.613 3.859 30.955 1.00 11.80 C ATOM 754 CG2 ILE A 98 25.343 5.478 29.533 1.00 11.93 C ATOM 755 CD1 ILE A 98 27.912 3.798 30.159 1.00 12.95 C ATOM 756 N VAL A 99 22.444 3.430 29.085 1.00 18.58 N ATOM 757 CA VAL A 99 21.315 3.787 28.219 1.00 23.08 C ATOM 758 C VAL A 99 19.981 3.729 28.954 1.00 27.43 C ATOM 759 O VAL A 99 19.016 4.406 28.561 1.00 29.51 O ATOM 760 CB VAL A 99 21.318 2.894 26.952 1.00 20.63 C ATOM 761 CG1 VAL A 99 19.919 2.625 26.430 1.00 23.09 C ATOM 762 CG2 VAL A 99 22.135 3.578 25.898 1.00 21.82 C ATOM 763 N SER A 100 19.923 2.886 29.987 1.00 30.35 N ATOM 764 CA SER A 100 18.739 2.732 30.822 1.00 34.36 C ATOM 765 C SER A 100 18.653 3.867 31.845 1.00 36.45 C ATOM 766 O SER A 100 17.564 4.202 32.275 1.00 36.50 O ATOM 767 CB SER A 100 18.771 1.401 31.558 1.00 34.73 C ATOM 768 OG SER A 100 18.826 0.312 30.660 1.00 38.08 O ATOM 769 N ASP A 101 19.797 4.429 32.246 1.00 40.61 N ATOM 770 CA ASP A 101 19.881 5.558 33.204 1.00 44.19 C ATOM 771 C ASP A 101 19.378 6.828 32.479 1.00 44.87 C ATOM 772 O ASP A 101 20.159 7.694 32.080 1.00 44.49 O ATOM 773 CB ASP A 101 21.356 5.734 33.659 1.00 46.43 C ATOM 774 CG ASP A 101 21.527 6.654 34.906 1.00 48.49 C ATOM 775 OD1 ASP A 101 21.388 6.143 36.053 1.00 48.16 O ATOM 776 OD2 ASP A 101 21.885 7.859 34.735 1.00 46.26 O ATOM 777 N GLY A 102 18.074 6.872 32.225 1.00 48.04 N ATOM 778 CA GLY A 102 17.453 8.000 31.537 1.00 47.91 C ATOM 779 C GLY A 102 17.912 8.381 30.124 1.00 46.63 C ATOM 780 O GLY A 102 17.263 8.054 29.117 1.00 49.12 O ATOM 781 N ASN A 103 19.050 9.059 30.067 1.00 43.99 N ATOM 782 CA ASN A 103 19.668 9.609 28.852 1.00 41.38 C ATOM 783 C ASN A 103 19.593 9.008 27.425 1.00 37.12 C ATOM 784 O ASN A 103 19.936 9.715 26.465 1.00 34.26 O ATOM 785 CB ASN A 103 21.144 9.945 29.161 1.00 45.01 C ATOM 786 CG ASN A 103 21.453 11.430 29.016 1.00 46.70 C ATOM 787 OD1 ASN A 103 20.544 12.279 29.085 1.00 47.02 O ATOM 788 ND2 ASN A 103 22.735 11.754 28.803 1.00 46.19 N ATOM 789 N GLY A 104 19.141 7.765 27.248 1.00 32.66 N ATOM 790 CA GLY A 104 19.138 7.198 25.906 1.00 26.95 C ATOM 791 C GLY A 104 20.598 7.103 25.467 1.00 23.05 C ATOM 792 O GLY A 104 21.438 6.794 26.297 1.00 23.56 O ATOM 793 N MET A 105 20.925 7.405 24.206 1.00 20.92 N ATOM 794 CA MET A 105 22.324 7.327 23.731 1.00 19.40 C ATOM 795 C MET A 105 23.028 8.690 23.743 1.00 20.60 C ATOM 796 O MET A 105 24.163 8.836 23.253 1.00 18.31 O ATOM 797 CB MET A 105 22.428 6.682 22.337 1.00 17.12 C ATOM 798 CG MET A 105 22.252 5.165 22.359 1.00 18.30 C ATOM 799 SD MET A 105 22.554 4.367 20.759 1.00 19.38 S ATOM 800 CE MET A 105 24.337 4.585 20.596 1.00 15.69 C ATOM 801 N ASN A 106 22.377 9.663 24.376 1.00 20.34 N ATOM 802 CA ASN A 106 22.921 11.007 24.488 1.00 22.74 C ATOM 803 C ASN A 106 24.196 11.077 25.312 1.00 22.94 C ATOM 804 O ASN A 106 24.878 12.101 25.318 1.00 23.51 O ATOM 805 CB ASN A 106 21.868 11.971 25.021 1.00 24.65 C ATOM 806 CG ASN A 106 20.848 12.317 23.983 1.00 23.93 C ATOM 807 OD1 ASN A 106 21.152 12.386 22.805 1.00 27.50 O ATOM 808 ND2 ASN A 106 19.633 12.535 24.406 1.00 29.59 N ATOM 809 N ALA A 107 24.516 9.992 26.013 1.00 22.11 N ATOM 810 CA ALA A 107 25.764 9.918 26.781 1.00 22.12 C ATOM 811 C ALA A 107 26.968 10.016 25.820 1.00 20.82 C ATOM 812 O ALA A 107 28.067 10.403 26.225 1.00 22.21 O ATOM 813 CB ALA A 107 25.835 8.599 27.532 1.00 20.64 C ATOM 814 N TRP A 108 26.769 9.617 24.564 1.00 18.93 N ATOM 815 CA TRP A 108 27.842 9.650 23.571 1.00 17.70 C ATOM 816 C TRP A 108 27.642 10.835 22.622 1.00 16.76 C ATOM 817 O TRP A 108 26.762 10.817 21.745 1.00 15.83 O ATOM 818 CB TRP A 108 27.945 8.307 22.828 1.00 16.53 C ATOM 819 CG TRP A 108 28.272 7.096 23.760 1.00 17.11 C ATOM 820 CD1 TRP A 108 29.503 6.748 24.241 1.00 14.95 C ATOM 821 CD2 TRP A 108 27.343 6.139 24.329 1.00 16.11 C ATOM 822 NE1 TRP A 108 29.401 5.646 25.075 1.00 16.72 N ATOM 823 CE2 TRP A 108 28.091 5.256 25.146 1.00 15.83 C ATOM 824 CE3 TRP A 108 25.958 5.955 24.229 1.00 18.18 C ATOM 825 CZ2 TRP A 108 27.511 4.212 25.856 1.00 14.73 C ATOM 826 CZ3 TRP A 108 25.372 4.892 24.953 1.00 17.62 C ATOM 827 CH2 TRP A 108 26.151 4.048 25.751 1.00 18.13 C ATOM 828 N VAL A 109 28.448 11.876 22.823 1.00 15.48 N ATOM 829 CA VAL A 109 28.335 13.087 22.004 1.00 16.21 C ATOM 830 C VAL A 109 28.638 12.785 20.557 1.00 13.88 C ATOM 831 O VAL A 109 27.980 13.321 19.676 1.00 13.12 O ATOM 832 CB VAL A 109 29.162 14.315 22.566 1.00 19.08 C ATOM 833 CG1 VAL A 109 30.654 13.989 22.658 1.00 22.69 C ATOM 834 CG2 VAL A 109 28.945 15.566 21.691 1.00 18.06 C ATOM 835 N ALA A 110 29.562 11.858 20.324 1.00 14.17 N ATOM 836 CA ALA A 110 29.926 11.464 18.964 1.00 16.14 C ATOM 837 C ALA A 110 28.719 10.827 18.263 1.00 16.34 C ATOM 838 O ALA A 110 28.508 11.045 17.055 1.00 16.90 O ATOM 839 CB ALA A 110 31.136 10.506 18.967 1.00 17.26 C ATOM 840 N TRP A 111 27.934 10.040 19.010 1.00 14.80 N ATOM 841 CA TRP A 111 26.733 9.448 18.450 1.00 13.99 C ATOM 842 C TRP A 111 25.773 10.610 18.069 1.00 14.96 C ATOM 843 O TRP A 111 25.241 10.680 16.955 1.00 13.15 O ATOM 844 CB TRP A 111 26.038 8.562 19.473 1.00 11.72 C ATOM 845 CG TRP A 111 24.717 8.079 18.974 1.00 13.19 C ATOM 846 CD1 TRP A 111 24.509 7.078 18.064 1.00 13.86 C ATOM 847 CD2 TRP A 111 23.413 8.611 19.292 1.00 13.40 C ATOM 848 NE1 TRP A 111 23.157 6.960 17.792 1.00 14.95 N ATOM 849 CE2 TRP A 111 22.466 7.883 18.530 1.00 13.26 C ATOM 850 CE3 TRP A 111 22.958 9.627 20.142 1.00 12.32 C ATOM 851 CZ2 TRP A 111 21.087 8.139 18.595 1.00 15.02 C ATOM 852 CZ3 TRP A 111 21.595 9.883 20.204 1.00 12.36 C ATOM 853 CH2 TRP A 111 20.675 9.141 19.434 1.00 16.11 C ATOM 854 N ARG A 112 25.532 11.501 19.019 1.00 14.63 N ATOM 855 CA ARG A 112 24.629 12.619 18.799 1.00 17.11 C ATOM 856 C ARG A 112 25.023 13.496 17.582 1.00 17.87 C ATOM 857 O ARG A 112 24.163 13.874 16.772 1.00 18.26 O ATOM 858 CB ARG A 112 24.485 13.393 20.130 1.00 19.89 C ATOM 859 CG ARG A 112 23.980 14.813 20.039 1.00 28.40 C ATOM 860 CD ARG A 112 23.630 15.405 21.417 1.00 27.75 C ATOM 861 NE ARG A 112 22.246 15.104 21.734 1.00 33.51 N ATOM 862 CZ ARG A 112 21.201 15.774 21.252 1.00 33.56 C ATOM 863 NH1 ARG A 112 21.387 16.810 20.446 1.00 34.51 N ATOM 864 NH2 ARG A 112 19.965 15.341 21.492 1.00 35.56 N ATOM 865 N ASN A 113 26.328 13.704 17.387 1.00 18.40 N ATOM 866 CA ASN A 113 26.848 14.534 16.283 1.00 17.08 C ATOM 867 C ASN A 113 27.019 13.796 14.963 1.00 18.01 C ATOM 868 O ASN A 113 26.858 14.396 13.892 1.00 17.85 O ATOM 869 CB ASN A 113 28.227 15.101 16.630 1.00 17.25 C ATOM 870 CG ASN A 113 28.175 16.205 17.655 1.00 16.14 C ATOM 871 OD1 ASN A 113 27.136 16.846 17.847 1.00 18.67 O ATOM 872 ND2 ASN A 113 29.310 16.454 18.309 1.00 15.56 N ATOM 873 N ARG A 114 27.378 12.513 15.029 1.00 17.44 N ATOM 874 CA ARG A 114 27.627 11.737 13.816 1.00 21.27 C ATOM 875 C ARG A 114 26.676 10.622 13.420 1.00 19.60 C ATOM 876 O ARG A 114 26.749 10.128 12.277 1.00 21.20 O ATOM 877 CB ARG A 114 29.046 11.151 13.858 1.00 22.31 C ATOM 878 CG ARG A 114 30.149 12.145 13.557 1.00 28.69 C ATOM 879 CD ARG A 114 30.130 12.569 12.090 1.00 33.03 C ATOM 880 NE ARG A 114 31.117 13.604 11.817 1.00 39.44 N ATOM 881 CZ ARG A 114 32.388 13.373 11.488 1.00 42.08 C ATOM 882 NH1 ARG A 114 32.850 12.129 11.372 1.00 44.14 N ATOM 883 NH2 ARG A 114 33.218 14.394 11.325 1.00 43.61 N ATOM 884 N CYS A 115 25.791 10.227 14.322 1.00 17.72 N ATOM 885 CA CYS A 115 24.919 9.101 14.031 1.00 15.61 C ATOM 886 C CYS A 115 23.453 9.380 14.092 1.00 15.74 C ATOM 887 O CYS A 115 22.725 8.972 13.201 1.00 15.77 O ATOM 888 CB CYS A 115 25.236 7.952 14.979 1.00 14.28 C ATOM 889 SG CYS A 115 26.992 7.541 15.033 1.00 14.08 S ATOM 890 N LYS A 116 23.008 9.984 15.196 1.00 17.56 N ATOM 891 CA LYS A 116 21.596 10.305 15.398 1.00 18.15 C ATOM 892 C LYS A 116 20.939 10.933 14.162 1.00 20.51 C ATOM 893 O LYS A 116 21.481 11.890 13.591 1.00 19.41 O ATOM 894 CB LYS A 116 21.439 11.258 16.573 1.00 17.97 C ATOM 895 CG LYS A 116 20.015 11.770 16.780 1.00 19.74 C ATOM 896 CD LYS A 116 19.851 12.342 18.194 1.00 23.77 C ATOM 897 CE LYS A 116 18.397 12.613 18.535 1.00 26.03 C ATOM 898 NZ LYS A 116 17.852 13.667 17.629 1.00 31.72 N ATOM 899 N GLY A 117 19.811 10.355 13.728 1.00 22.08 N ATOM 900 CA GLY A 117 19.074 10.885 12.592 1.00 22.75 C ATOM 901 C GLY A 117 19.561 10.574 11.187 1.00 23.89 C ATOM 902 O GLY A 117 18.839 10.854 10.223 1.00 26.41 O ATOM 903 N THR A 118 20.762 10.009 11.061 1.00 22.35 N ATOM 904 CA THR A 118 21.333 9.648 9.761 1.00 20.73 C ATOM 905 C THR A 118 20.862 8.237 9.362 1.00 19.59 C ATOM 906 O THR A 118 20.117 7.597 10.100 1.00 19.69 O ATOM 907 CB THR A 118 22.894 9.652 9.816 1.00 19.56 C ATOM 908 OG1 THR A 118 23.351 8.570 10.650 1.00 19.10 O ATOM 909 CG2 THR A 118 23.419 10.975 10.371 1.00 16.87 C ATOM 910 N ASP A 119 21.290 7.766 8.193 1.00 20.06 N ATOM 911 CA ASP A 119 20.952 6.424 7.721 1.00 20.25 C ATOM 912 C ASP A 119 21.918 5.471 8.422 1.00 18.28 C ATOM 913 O ASP A 119 23.020 5.199 7.921 1.00 16.64 O ATOM 914 CB ASP A 119 21.133 6.324 6.200 1.00 24.39 C ATOM 915 CG ASP A 119 20.900 4.899 5.659 1.00 27.76 C ATOM 916 OD1 ASP A 119 20.315 4.049 6.382 1.00 28.96 O ATOM 917 OD2 ASP A 119 21.321 4.634 4.507 1.00 31.46 O ATOM 918 N VAL A 120 21.502 4.966 9.581 1.00 18.17 N ATOM 919 CA VAL A 120 22.364 4.068 10.353 1.00 18.04 C ATOM 920 C VAL A 120 22.519 2.655 9.805 1.00 16.34 C ATOM 921 O VAL A 120 23.471 1.966 10.160 1.00 16.12 O ATOM 922 CB VAL A 120 22.013 4.049 11.871 1.00 16.14 C ATOM 923 CG1 VAL A 120 22.306 5.433 12.497 1.00 15.88 C ATOM 924 CG2 VAL A 120 20.582 3.590 12.079 1.00 15.57 C ATOM 925 N GLN A 121 21.606 2.240 8.922 1.00 17.16 N ATOM 926 CA GLN A 121 21.676 0.902 8.304 1.00 17.70 C ATOM 927 C GLN A 121 22.934 0.764 7.448 1.00 15.47 C ATOM 928 O GLN A 121 23.337 -0.342 7.125 1.00 14.77 O ATOM 929 CB GLN A 121 20.451 0.593 7.441 1.00 18.31 C ATOM 930 CG GLN A 121 19.291 0.142 8.227 1.00 25.62 C ATOM 931 CD GLN A 121 18.336 1.260 8.417 1.00 31.26 C ATOM 932 OE1 GLN A 121 18.723 2.430 8.374 1.00 34.46 O ATOM 933 NE2 GLN A 121 17.066 0.930 8.579 1.00 33.64 N ATOM 934 N ALA A 122 23.519 1.890 7.052 1.00 14.49 N ATOM 935 CA ALA A 122 24.756 1.888 6.288 1.00 16.16 C ATOM 936 C ALA A 122 25.864 1.136 7.052 1.00 15.62 C ATOM 937 O ALA A 122 26.710 0.509 6.452 1.00 16.35 O ATOM 938 CB ALA A 122 25.198 3.328 6.035 1.00 17.75 C ATOM 939 N TRP A 123 25.831 1.207 8.382 1.00 15.17 N ATOM 940 CA TRP A 123 26.822 0.569 9.221 1.00 16.36 C ATOM 941 C TRP A 123 26.710 -0.937 9.305 1.00 15.75 C ATOM 942 O TRP A 123 27.660 -1.610 9.723 1.00 17.19 O ATOM 943 CB TRP A 123 26.829 1.216 10.609 1.00 15.13 C ATOM 944 CG TRP A 123 27.241 2.641 10.549 1.00 14.00 C ATOM 945 CD1 TRP A 123 26.422 3.720 10.514 1.00 15.56 C ATOM 946 CD2 TRP A 123 28.583 3.143 10.421 1.00 14.27 C ATOM 947 NE1 TRP A 123 27.168 4.885 10.358 1.00 15.19 N ATOM 948 CE2 TRP A 123 28.495 4.556 10.299 1.00 15.58 C ATOM 949 CE3 TRP A 123 29.853 2.536 10.373 1.00 16.60 C ATOM 950 CZ2 TRP A 123 29.629 5.375 10.132 1.00 16.53 C ATOM 951 CZ3 TRP A 123 30.990 3.357 10.199 1.00 17.68 C ATOM 952 CH2 TRP A 123 30.862 4.763 10.081 1.00 15.93 C ATOM 953 N ILE A 124 25.569 -1.482 8.888 1.00 16.13 N ATOM 954 CA ILE A 124 25.388 -2.936 8.908 1.00 16.20 C ATOM 955 C ILE A 124 25.226 -3.545 7.497 1.00 17.38 C ATOM 956 O ILE A 124 25.038 -4.761 7.355 1.00 16.75 O ATOM 957 CB ILE A 124 24.181 -3.379 9.801 1.00 16.43 C ATOM 958 CG1 ILE A 124 22.881 -2.703 9.334 1.00 15.04 C ATOM 959 CG2 ILE A 124 24.491 -3.110 11.268 1.00 14.80 C ATOM 960 CD1 ILE A 124 21.657 -3.193 10.027 1.00 17.60 C ATOM 961 N ARG A 125 25.288 -2.716 6.453 1.00 19.40 N ATOM 962 CA ARG A 125 25.152 -3.231 5.085 1.00 19.69 C ATOM 963 C ARG A 125 26.436 -3.900 4.617 1.00 18.73 C ATOM 964 O ARG A 125 27.550 -3.467 4.949 1.00 18.43 O ATOM 965 CB ARG A 125 24.690 -2.154 4.099 1.00 20.49 C ATOM 966 CG ARG A 125 23.176 -1.930 4.114 1.00 22.54 C ATOM 967 CD ARG A 125 22.704 -0.976 3.029 1.00 24.02 C ATOM 968 NE ARG A 125 23.385 0.319 3.058 1.00 27.61 N ATOM 969 CZ ARG A 125 22.818 1.474 3.417 1.00 29.58 C ATOM 970 NH1 ARG A 125 21.529 1.545 3.809 1.00 27.64 N ATOM 971 NH2 ARG A 125 23.536 2.585 3.312 1.00 30.44 N ATOM 972 N GLY A 126 26.262 -5.023 3.931 1.00 18.15 N ATOM 973 CA GLY A 126 27.404 -5.764 3.441 1.00 17.78 C ATOM 974 C GLY A 126 27.796 -6.842 4.419 1.00 19.04 C ATOM 975 O GLY A 126 28.626 -7.691 4.095 1.00 19.13 O ATOM 976 N CYS A 127 27.246 -6.773 5.633 1.00 19.09 N ATOM 977 CA CYS A 127 27.537 -7.757 6.655 1.00 21.74 C ATOM 978 C CYS A 127 26.493 -8.809 6.489 1.00 26.81 C ATOM 979 O CYS A 127 25.378 -8.532 6.024 1.00 28.63 O ATOM 980 CB CYS A 127 27.403 -7.167 8.062 1.00 15.84 C ATOM 981 SG CYS A 127 28.232 -5.571 8.239 1.00 14.08 S ATOM 982 N ARG A 128 26.836 -10.029 6.836 1.00 31.66 N ATOM 983 CA ARG A 128 25.827 -11.060 6.741 1.00 38.46 C ATOM 984 C ARG A 128 25.392 -11.440 8.160 1.00 39.58 C ATOM 985 O ARG A 128 26.104 -12.139 8.897 1.00 40.48 O ATOM 986 CB ARG A 128 26.295 -12.199 5.827 1.00 42.68 C ATOM 987 CG ARG A 128 25.667 -12.012 4.421 1.00 48.45 C ATOM 988 CD ARG A 128 26.522 -12.484 3.255 1.00 53.25 C ATOM 989 NE ARG A 128 27.028 -11.401 2.389 1.00 58.43 N ATOM 990 CZ ARG A 128 26.314 -10.387 1.882 1.00 59.09 C ATOM 991 NH1 ARG A 128 25.015 -10.252 2.147 1.00 59.78 N ATOM 992 NH2 ARG A 128 26.896 -9.543 1.028 1.00 59.77 N ATOM 993 N LEU A 129 24.307 -10.786 8.580 1.00 39.71 N ATOM 994 CA LEU A 129 23.754 -10.953 9.911 1.00 40.25 C ATOM 995 C LEU A 129 22.467 -11.781 9.906 1.00 41.50 C ATOM 996 O LEU A 129 22.457 -12.850 10.549 1.00 42.16 O ATOM 997 CB LEU A 129 23.522 -9.569 10.542 1.00 38.80 C ATOM 998 CG LEU A 129 24.690 -8.557 10.509 1.00 38.31 C ATOM 999 CD1 LEU A 129 24.246 -7.234 11.099 1.00 37.58 C ATOM 1000 CD2 LEU A 129 25.920 -9.063 11.233 1.00 35.99 C ATOM 1001 OXT LEU A 129 21.490 -11.368 9.246 1.00 43.38 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 41.697 -6.146 24.177 1.00 20.37 O HETATM 1004 O HOH A 131 39.261 0.756 12.683 1.00 23.62 O HETATM 1005 O HOH A 132 38.227 -1.950 11.761 1.00 27.55 O HETATM 1006 O HOH A 133 42.011 7.716 43.850 1.00 25.53 O HETATM 1007 O HOH A 134 38.809 5.915 41.922 1.00 11.33 O HETATM 1008 O HOH A 135 36.129 -1.601 9.590 1.00 12.99 O HETATM 1009 O HOH A 136 33.657 -0.033 6.535 1.00 25.36 O HETATM 1010 O HOH A 137 35.006 1.016 9.317 1.00 24.34 O HETATM 1011 O HOH A 138 28.956 -10.293 10.104 1.00 27.14 O HETATM 1012 O HOH A 139 25.440 -12.603 12.618 1.00 48.41 O HETATM 1013 O HOH A 140 32.817 -10.238 21.658 1.00 21.03 O HETATM 1014 O HOH A 141 31.522 15.772 13.557 1.00 31.26 O HETATM 1015 O HOH A 142 20.291 -8.010 19.016 1.00 18.12 O HETATM 1016 O HOH A 143 21.640 -14.263 20.946 1.00 54.30 O HETATM 1017 O HOH A 144 26.233 -16.811 17.692 1.00 29.27 O HETATM 1018 O HOH A 145 20.390 -0.562 12.091 1.00 17.67 O HETATM 1019 O HOH A 146 19.520 7.353 15.067 1.00 23.91 O HETATM 1020 O HOH A 147 36.765 7.128 15.629 1.00 43.35 O HETATM 1021 O HOH A 148 36.498 9.902 24.606 1.00 26.37 O HETATM 1022 O HOH A 149 31.676 11.151 22.944 1.00 34.59 O HETATM 1023 O HOH A 150 41.308 3.987 19.164 1.00 35.65 O HETATM 1024 O HOH A 151 35.981 -2.490 25.044 1.00 18.47 O HETATM 1025 O HOH A 152 35.556 -5.114 24.912 1.00 26.40 O HETATM 1026 O HOH A 153 14.678 1.646 31.135 1.00 31.08 O HETATM 1027 O HOH A 154 14.544 7.284 31.557 1.00 39.66 O HETATM 1028 O HOH A 155 38.948 16.339 28.468 1.00 27.15 O HETATM 1029 O HOH A 156 23.102 7.949 31.669 1.00 32.41 O HETATM 1030 O HOH A 157 41.001 18.605 37.507 1.00 27.70 O HETATM 1031 O HOH A 158 28.767 9.055 31.178 1.00 22.39 O HETATM 1032 O HOH A 159 23.053 7.283 28.163 1.00 44.94 O HETATM 1033 O HOH A 160 41.467 8.216 35.304 1.00 11.45 O HETATM 1034 O HOH A 161 33.711 0.370 26.251 1.00 11.59 O HETATM 1035 O HOH A 162 30.519 7.183 29.914 1.00 22.34 O HETATM 1036 O HOH A 163 37.481 5.042 39.302 1.00 11.62 O HETATM 1037 O HOH A 164 34.955 5.209 39.245 1.00 11.70 O HETATM 1038 O HOH A 165 20.271 14.993 28.551 1.00 45.27 O HETATM 1039 O HOH A 166 41.163 -0.545 36.033 1.00 23.92 O HETATM 1040 O HOH A 167 40.491 -1.657 39.388 1.00 62.87 O HETATM 1041 O HOH A 168 34.565 0.068 43.666 1.00 36.99 O HETATM 1042 O HOH A 169 29.282 3.602 44.387 1.00 49.62 O HETATM 1043 O HOH A 170 27.932 -4.010 34.452 1.00 24.02 O HETATM 1044 O HOH A 171 18.715 6.181 2.997 1.00 60.93 O HETATM 1045 O HOH A 172 37.381 -2.618 41.159 1.00 37.81 O HETATM 1046 O HOH A 173 29.492 -4.967 32.713 1.00 26.47 O HETATM 1047 O HOH A 174 39.750 -7.430 34.448 1.00 37.19 O HETATM 1048 O HOH A 175 34.119 -8.888 28.936 1.00 22.40 O HETATM 1049 O HOH A 176 36.135 -8.354 30.513 1.00 25.38 O HETATM 1050 O HOH A 177 34.470 -5.543 27.574 1.00 13.93 O HETATM 1051 O HOH A 178 35.901 -10.891 20.458 1.00 23.38 O HETATM 1052 O HOH A 179 22.900 14.701 11.528 1.00 31.89 O HETATM 1053 O HOH A 180 29.611 -7.738 33.103 1.00 25.02 O HETATM 1054 O HOH A 181 23.318 -4.684 31.579 1.00 44.51 O HETATM 1055 O HOH A 182 25.144 -0.518 0.912 1.00 32.46 O HETATM 1056 O HOH A 183 46.673 3.848 35.744 1.00 35.56 O HETATM 1057 O HOH A 184 15.255 7.158 24.458 1.00 29.94 O HETATM 1058 O HOH A 185 17.482 9.326 20.959 1.00 30.26 O HETATM 1059 O HOH A 186 45.261 13.501 41.504 1.00 34.94 O HETATM 1060 O HOH A 187 39.607 -12.392 18.694 1.00 53.05 O HETATM 1061 O HOH A 188 27.216 8.781 10.032 1.00 43.95 O HETATM 1062 O HOH A 189 16.950 13.552 14.628 1.00 54.38 O HETATM 1063 O HOH A 190 22.480 9.690 6.326 1.00 30.83 O HETATM 1064 O HOH A 191 23.265 -6.758 7.082 1.00 31.16 O HETATM 1065 O HOH A 192 22.603 7.071 38.651 1.00 45.70 O HETATM 1066 O HOH A 193 35.829 12.256 23.446 1.00 66.49 O HETATM 1067 O HOH A 194 39.389 -8.483 14.681 1.00 40.28 O HETATM 1068 O HOH A 195 43.040 -7.221 16.634 1.00 51.62 O HETATM 1069 O HOH A 196 41.848 -10.423 16.893 1.00 43.57 O HETATM 1070 O HOH A 197 45.055 -7.586 20.313 1.00 59.91 O HETATM 1071 O HOH A 198 41.005 -6.402 12.151 1.00 55.27 O HETATM 1072 O HOH A 199 24.126 -13.858 17.222 1.00 60.43 O HETATM 1073 O HOH A 200 16.785 3.168 16.070 1.00 28.78 O HETATM 1074 O HOH A 201 18.029 -2.902 12.810 1.00 40.43 O HETATM 1075 O HOH A 202 39.641 6.871 19.995 1.00 43.95 O HETATM 1076 O HOH A 203 43.636 5.615 22.528 1.00 41.70 O HETATM 1077 O HOH A 204 20.187 -9.945 7.588 1.00 40.26 O HETATM 1078 O HOH A 205 35.492 4.010 41.439 1.00 21.93 O HETATM 1079 O HOH A 206 44.183 2.194 36.843 1.00 36.40 O HETATM 1080 O HOH A 207 29.799 -9.936 3.323 1.00 49.47 O HETATM 1081 O HOH A 208 44.269 10.555 40.906 1.00 55.49 O HETATM 1082 O HOH A 209 14.192 1.263 9.671 1.00 52.48 O HETATM 1083 O HOH A 210 34.306 -3.424 41.209 1.00 32.91 O HETATM 1084 O HOH A 211 37.895 5.243 8.088 1.00 68.70 O HETATM 1085 O HOH A 212 43.673 -7.299 33.585 1.00 51.95 O HETATM 1086 O HOH A 213 36.949 -8.531 34.922 1.00 45.39 O HETATM 1087 O HOH A 214 41.788 -9.808 26.449 1.00 46.10 O HETATM 1088 O HOH A 215 19.647 14.420 11.382 1.00 48.70 O HETATM 1089 O HOH A 216 45.008 10.499 27.041 1.00 49.21 O HETATM 1090 O HOH A 217 33.697 12.639 33.469 1.00 28.73 O HETATM 1091 O HOH A 218 37.276 6.819 43.969 1.00 55.57 O HETATM 1092 O HOH A 219 32.051 8.769 46.606 1.00 46.42 O HETATM 1093 O HOH A 220 18.659 4.846 9.315 1.00 37.12 O HETATM 1094 O HOH A 221 38.688 -8.860 31.378 1.00 51.35 O HETATM 1095 O HOH A 222 44.175 4.074 32.957 1.00 41.40 O HETATM 1096 O HOH A 223 45.402 4.014 30.072 1.00 54.62 O HETATM 1097 O HOH A 224 27.743 -7.239 39.648 1.00 38.86 O HETATM 1098 O HOH A 225 39.285 -4.112 10.346 1.00 41.45 O HETATM 1099 O HOH A 226 25.243 -12.185 15.252 1.00 39.45 O HETATM 1100 O HOH A 227 18.345 -13.934 25.075 1.00 61.13 O HETATM 1101 O HOH A 228 14.766 5.786 20.097 1.00 78.58 O HETATM 1102 O HOH A 229 16.490 6.165 16.459 1.00 82.85 O HETATM 1103 O HOH A 230 17.750 4.316 13.915 1.00 61.43 O HETATM 1104 O HOH A 231 17.264 1.712 11.855 1.00 59.18 O HETATM 1105 O HOH A 232 44.048 9.101 23.509 1.00 56.41 O HETATM 1106 O HOH A 233 40.771 7.555 22.787 1.00 54.80 O HETATM 1107 O HOH A 234 32.330 15.119 41.840 1.00 42.79 O HETATM 1108 O HOH A 235 42.950 14.581 38.746 1.00 78.03 O HETATM 1109 O HOH A 236 29.763 -9.963 7.091 1.00 59.71 O HETATM 1110 O HOH A 237 30.301 10.827 43.699 1.00 34.74 O HETATM 1111 O HOH A 238 42.841 -3.805 36.934 1.00 58.29 O HETATM 1112 O HOH A 239 34.942 -8.708 33.182 1.00 65.48 O HETATM 1113 O HOH A 240 42.817 -10.087 20.740 1.00 62.36 O HETATM 1114 O HOH A 241 23.413 13.614 7.329 1.00 47.01 O HETATM 1115 O HOH A 242 19.327 -5.115 30.162 1.00 38.81 O HETATM 1116 O HOH A 243 17.503 8.652 17.262 1.00 75.65 O HETATM 1117 O HOH A 244 25.531 14.187 11.544 1.00 37.67 O HETATM 1118 O HOH A 245 28.984 -7.221 43.293 1.00 47.44 O HETATM 1119 O HOH A 246 24.931 10.395 7.206 1.00 67.21 O HETATM 1120 O HOH A 247 19.958 2.981 35.042 1.00 41.08 O HETATM 1121 O HOH A 248 28.000 -14.745 14.089 1.00 50.43 O HETATM 1122 O HOH A 249 14.589 7.663 27.865 1.00 42.60 O HETATM 1123 O HOH A 250 19.214 -7.154 27.205 1.00 42.64 O HETATM 1124 O HOH A 251 43.587 -3.322 20.621 1.00 33.19 O HETATM 1125 O HOH A 252 24.522 -16.840 21.548 1.00 34.40 O HETATM 1126 O HOH A 253 25.480 6.786 42.655 1.00 32.26 O HETATM 1127 O HOH A 254 30.499 11.951 25.180 1.00 34.70 O HETATM 1128 O HOH A 255 36.427 -2.391 43.994 1.00 40.98 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 280 0 0 6 3 0 0 6 1127 1 8 10 END