HEADER HYDROLASE (O-GLYCOSYL) 10-FEB-95 1LZA TITLE DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT TITLE 2 HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC TITLE 3 ACTIVITY COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 ORGAN: EGG KEYWDS HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR K.MAENAKA,M.MATSUSHIMA,H.SONG,K.WATANABE,I.KUMAGAI REVDAT 2 24-FEB-09 1LZA 1 VERSN REVDAT 1 08-MAY-95 1LZA 0 JRNL AUTH K.MAENAKA,M.MATSUSHIMA,H.SONG,F.SUNADA,K.WATANABE, JRNL AUTH 2 I.KUMAGAI JRNL TITL DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN JRNL TITL 2 MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR JRNL TITL 3 HYDROLYTIC ACTIVITY. JRNL REF J.MOL.BIOL. V. 247 281 1995 JRNL REFN ISSN 0022-2836 JRNL PMID 7707375 JRNL DOI 10.1006/JMBI.1994.0139 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.161 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 104 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.014 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.035 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.044 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.012 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.137 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.162 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.190 ; 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) : 2.300 ; 3.000 REMARK 3 STAGGERED (DEGREES) : 16.000; 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) : 1.086 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.672 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.125 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.329 ; 2.500 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LZA 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 : 12220 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 6.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.66 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.95500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.59000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.59000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.43250 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.59000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.59000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.47750 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.59000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.59000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.43250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.59000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.59000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.47750 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.95500 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 5 NE - CZ - NH1 ANGL. DEV. = 5.3 DEGREES REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ARG A 14 CD - NE - CZ ANGL. DEV. = -8.9 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 12.4 DEGREES REMARK 500 ASP A 18 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 3.0 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 8.2 DEGREES REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 9.2 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ARG A 125 CD - NE - CZ ANGL. DEV. = 10.8 DEGREES REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = 7.2 DEGREES REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ARG A 128 CD - NE - CZ ANGL. DEV. = 12.1 DEGREES REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG A 128 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 68 27.66 -140.07 REMARK 500 REMARK 500 REMARK: NULL DBREF 1LZA 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 *104(H2 O) HELIX 1 A ARG A 5 HIS A 15 1 11 HELIX 2 B LEU A 25 GLU A 35 1 11 HELIX 3 C CYS A 80 LEU A 84 5 5 HELIX 4 D THR A 89 LYS A 96 1 8 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 PHE A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 50 GLY A 54 -1 O SER A 50 N ASN A 46 SHEET 3 B 3 GLN A 57 SER A 60 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.01 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 CRYST1 79.180 79.180 37.910 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012629 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012629 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026378 0.00000 ATOM 1 N LYS A 1 3.316 10.173 10.270 1.00 14.63 N ATOM 2 CA LYS A 1 2.429 10.484 9.131 1.00 14.21 C ATOM 3 C LYS A 1 2.429 11.997 8.921 1.00 13.94 C ATOM 4 O LYS A 1 2.476 12.756 9.921 1.00 14.87 O ATOM 5 CB LYS A 1 0.991 10.054 9.423 1.00 14.94 C ATOM 6 CG LYS A 1 -0.026 10.473 8.381 1.00 15.64 C ATOM 7 CD LYS A 1 -1.428 10.055 8.808 1.00 19.25 C ATOM 8 CE LYS A 1 -2.393 10.602 7.744 1.00 20.36 C ATOM 9 NZ LYS A 1 -3.722 9.973 8.002 1.00 24.73 N ATOM 10 N VAL A 2 2.418 12.396 7.683 1.00 12.95 N ATOM 11 CA VAL A 2 2.400 13.802 7.277 1.00 14.51 C ATOM 12 C VAL A 2 0.959 14.079 6.806 1.00 15.43 C ATOM 13 O VAL A 2 0.494 13.563 5.760 1.00 17.09 O ATOM 14 CB VAL A 2 3.486 14.196 6.275 1.00 14.10 C ATOM 15 CG1 VAL A 2 3.357 15.639 5.824 1.00 14.56 C ATOM 16 CG2 VAL A 2 4.913 14.009 6.769 1.00 13.95 C ATOM 17 N PHE A 3 0.233 14.863 7.580 1.00 14.70 N ATOM 18 CA PHE A 3 -1.149 15.185 7.233 1.00 15.19 C ATOM 19 C PHE A 3 -1.243 16.261 6.152 1.00 15.19 C ATOM 20 O PHE A 3 -0.410 17.135 5.980 1.00 16.08 O ATOM 21 CB PHE A 3 -1.924 15.693 8.468 1.00 15.64 C ATOM 22 CG PHE A 3 -2.490 14.598 9.347 1.00 16.93 C ATOM 23 CD1 PHE A 3 -1.664 13.992 10.313 1.00 15.80 C ATOM 24 CD2 PHE A 3 -3.827 14.187 9.227 1.00 16.32 C ATOM 25 CE1 PHE A 3 -2.200 12.985 11.136 1.00 17.49 C ATOM 26 CE2 PHE A 3 -4.354 13.194 10.030 1.00 17.58 C ATOM 27 CZ PHE A 3 -3.541 12.598 11.005 1.00 18.02 C ATOM 28 N GLY A 4 -2.328 16.206 5.392 1.00 15.93 N ATOM 29 CA GLY A 4 -2.639 17.258 4.404 1.00 14.67 C ATOM 30 C GLY A 4 -3.450 18.246 5.305 1.00 14.75 C ATOM 31 O GLY A 4 -4.002 17.816 6.338 1.00 15.01 O ATOM 32 N ARG A 5 -3.531 19.468 4.915 1.00 14.52 N ATOM 33 CA ARG A 5 -4.241 20.513 5.660 1.00 15.64 C ATOM 34 C ARG A 5 -5.667 20.184 6.003 1.00 15.90 C ATOM 35 O ARG A 5 -6.148 20.210 7.162 1.00 14.77 O ATOM 36 CB ARG A 5 -4.139 21.764 4.750 1.00 17.44 C ATOM 37 CG ARG A 5 -4.788 23.000 5.343 1.00 17.75 C ATOM 38 CD ARG A 5 -4.480 24.157 4.449 1.00 19.74 C ATOM 39 NE ARG A 5 -5.143 24.131 3.178 1.00 23.30 N ATOM 40 CZ ARG A 5 -6.412 24.471 2.923 1.00 24.93 C ATOM 41 NH1 ARG A 5 -7.297 24.878 3.821 1.00 23.68 N ATOM 42 NH2 ARG A 5 -6.780 24.370 1.625 1.00 25.24 N ATOM 43 N CYS A 6 -6.456 19.882 4.939 1.00 16.00 N ATOM 44 CA CYS A 6 -7.880 19.543 5.146 1.00 15.92 C ATOM 45 C CYS A 6 -8.046 18.231 5.867 1.00 15.49 C ATOM 46 O CYS A 6 -9.016 18.027 6.620 1.00 16.03 O ATOM 47 CB CYS A 6 -8.645 19.529 3.796 1.00 17.44 C ATOM 48 SG CYS A 6 -8.746 21.167 3.061 1.00 19.34 S ATOM 49 N GLU A 7 -7.159 17.270 5.620 1.00 15.21 N ATOM 50 CA GLU A 7 -7.287 15.956 6.293 1.00 14.77 C ATOM 51 C GLU A 7 -7.127 16.121 7.802 1.00 13.88 C ATOM 52 O GLU A 7 -7.850 15.539 8.626 1.00 13.62 O ATOM 53 CB GLU A 7 -6.200 15.015 5.826 1.00 17.51 C ATOM 54 CG GLU A 7 -6.256 13.593 6.436 1.00 19.10 C ATOM 55 CD GLU A 7 -5.016 12.866 5.947 1.00 21.42 C ATOM 56 OE1 GLU A 7 -4.113 13.485 5.396 1.00 22.73 O ATOM 57 OE2 GLU A 7 -5.055 11.651 6.176 1.00 23.07 O ATOM 58 N LEU A 8 -6.180 16.956 8.188 1.00 12.92 N ATOM 59 CA LEU A 8 -5.939 17.232 9.616 1.00 12.32 C ATOM 60 C LEU A 8 -7.113 18.010 10.219 1.00 11.75 C ATOM 61 O LEU A 8 -7.531 17.713 11.343 1.00 13.86 O ATOM 62 CB LEU A 8 -4.586 17.983 9.770 1.00 13.70 C ATOM 63 CG LEU A 8 -4.391 18.435 11.240 1.00 13.06 C ATOM 64 CD1 LEU A 8 -4.157 17.160 12.065 1.00 15.36 C ATOM 65 CD2 LEU A 8 -3.184 19.353 11.319 1.00 14.67 C ATOM 66 N ALA A 9 -7.575 19.013 9.488 1.00 12.76 N ATOM 67 CA ALA A 9 -8.729 19.817 9.897 1.00 13.18 C ATOM 68 C ALA A 9 -9.889 18.875 10.221 1.00 13.35 C ATOM 69 O ALA A 9 -10.544 18.985 11.269 1.00 13.77 O ATOM 70 CB ALA A 9 -9.205 20.814 8.842 1.00 14.42 C ATOM 71 N ALA A 10 -10.165 17.925 9.348 1.00 13.67 N ATOM 72 CA ALA A 10 -11.276 16.974 9.562 1.00 14.45 C ATOM 73 C ALA A 10 -11.037 16.125 10.772 1.00 14.81 C ATOM 74 O ALA A 10 -11.954 15.816 11.564 1.00 16.46 O ATOM 75 CB ALA A 10 -11.442 16.160 8.277 1.00 13.90 C ATOM 76 N ALA A 11 -9.797 15.676 10.969 1.00 15.44 N ATOM 77 CA ALA A 11 -9.501 14.807 12.133 1.00 15.97 C ATOM 78 C ALA A 11 -9.643 15.562 13.459 1.00 15.83 C ATOM 79 O ALA A 11 -10.121 14.988 14.435 1.00 16.65 O ATOM 80 CB ALA A 11 -8.115 14.200 11.996 1.00 16.50 C ATOM 81 N MET A 12 -9.183 16.821 13.422 1.00 15.21 N ATOM 82 CA MET A 12 -9.243 17.657 14.648 1.00 15.88 C ATOM 83 C MET A 12 -10.697 17.924 15.023 1.00 16.92 C ATOM 84 O MET A 12 -11.082 17.821 16.211 1.00 17.27 O ATOM 85 CB MET A 12 -8.473 18.950 14.434 1.00 13.85 C ATOM 86 CG MET A 12 -6.995 18.675 14.588 1.00 14.57 C ATOM 87 SD MET A 12 -6.099 20.241 14.255 1.00 14.31 S ATOM 88 CE MET A 12 -4.570 19.950 15.161 1.00 12.23 C ATOM 89 N LYS A 13 -11.481 18.198 13.986 1.00 17.23 N ATOM 90 CA LYS A 13 -12.919 18.472 14.157 1.00 18.24 C ATOM 91 C LYS A 13 -13.628 17.291 14.818 1.00 18.85 C ATOM 92 O LYS A 13 -14.393 17.427 15.782 1.00 17.92 O ATOM 93 CB LYS A 13 -13.553 18.758 12.786 1.00 19.30 C ATOM 94 CG LYS A 13 -14.928 19.365 12.958 1.00 22.55 C ATOM 95 CD LYS A 13 -15.636 19.632 11.627 1.00 25.04 C ATOM 96 CE LYS A 13 -17.138 19.791 11.916 1.00 28.06 C ATOM 97 NZ LYS A 13 -17.758 20.749 10.945 1.00 29.93 N ATOM 98 N ARG A 14 -13.290 16.109 14.288 1.00 19.43 N ATOM 99 CA ARG A 14 -13.837 14.825 14.720 1.00 20.76 C ATOM 100 C ARG A 14 -13.503 14.568 16.185 1.00 20.29 C ATOM 101 O ARG A 14 -14.261 13.972 16.939 1.00 19.49 O ATOM 102 CB ARG A 14 -13.387 13.628 13.860 1.00 23.30 C ATOM 103 CG ARG A 14 -13.920 12.339 14.473 1.00 29.36 C ATOM 104 CD ARG A 14 -13.918 11.139 13.585 1.00 32.41 C ATOM 105 NE ARG A 14 -13.489 9.995 14.452 1.00 35.61 N ATOM 106 CZ ARG A 14 -12.188 9.668 14.350 1.00 37.24 C ATOM 107 NH1 ARG A 14 -11.393 10.314 13.498 1.00 38.93 N ATOM 108 NH2 ARG A 14 -11.665 8.703 15.099 1.00 39.50 N ATOM 109 N HIS A 15 -12.333 15.078 16.543 1.00 20.18 N ATOM 110 CA HIS A 15 -11.856 14.921 17.935 1.00 19.87 C ATOM 111 C HIS A 15 -12.306 16.035 18.861 1.00 19.14 C ATOM 112 O HIS A 15 -11.792 16.041 20.008 1.00 20.09 O ATOM 113 CB HIS A 15 -10.360 14.673 17.968 1.00 20.88 C ATOM 114 CG HIS A 15 -10.016 13.249 17.669 1.00 22.46 C ATOM 115 ND1 HIS A 15 -9.714 12.777 16.396 1.00 23.82 N ATOM 116 CD2 HIS A 15 -9.918 12.182 18.489 1.00 22.05 C ATOM 117 CE1 HIS A 15 -9.407 11.494 16.454 1.00 21.29 C ATOM 118 NE2 HIS A 15 -9.532 11.127 17.710 1.00 23.76 N ATOM 119 N GLY A 16 -13.208 16.907 18.440 1.00 19.00 N ATOM 120 CA GLY A 16 -13.760 17.971 19.260 1.00 18.14 C ATOM 121 C GLY A 16 -12.903 19.181 19.543 1.00 19.05 C ATOM 122 O GLY A 16 -13.069 19.832 20.613 1.00 18.92 O ATOM 123 N LEU A 17 -12.016 19.560 18.628 1.00 18.68 N ATOM 124 CA LEU A 17 -11.163 20.746 18.804 1.00 18.79 C ATOM 125 C LEU A 17 -11.805 21.997 18.261 1.00 19.60 C ATOM 126 O LEU A 17 -11.418 23.081 18.800 1.00 20.63 O ATOM 127 CB LEU A 17 -9.767 20.493 18.217 1.00 17.31 C ATOM 128 CG LEU A 17 -8.742 19.760 19.053 1.00 17.02 C ATOM 129 CD1 LEU A 17 -7.351 19.880 18.409 1.00 16.57 C ATOM 130 CD2 LEU A 17 -8.657 20.350 20.459 1.00 16.45 C ATOM 131 N ASP A 18 -12.709 21.951 17.304 1.00 19.48 N ATOM 132 CA ASP A 18 -13.366 23.154 16.745 1.00 19.90 C ATOM 133 C ASP A 18 -14.082 23.911 17.877 1.00 19.62 C ATOM 134 O ASP A 18 -15.035 23.343 18.443 1.00 19.04 O ATOM 135 CB ASP A 18 -14.335 22.944 15.609 1.00 22.88 C ATOM 136 CG ASP A 18 -14.822 24.201 14.886 1.00 26.61 C ATOM 137 OD1 ASP A 18 -14.342 25.378 14.856 1.00 25.51 O ATOM 138 OD2 ASP A 18 -15.867 23.979 14.163 1.00 27.76 O ATOM 139 N ASN A 19 -13.617 25.106 18.119 1.00 18.04 N ATOM 140 CA ASN A 19 -14.161 25.948 19.186 1.00 18.38 C ATOM 141 C ASN A 19 -13.821 25.408 20.567 1.00 17.54 C ATOM 142 O ASN A 19 -14.503 25.848 21.530 1.00 17.99 O ATOM 143 CB ASN A 19 -15.671 26.133 18.970 1.00 23.40 C ATOM 144 CG ASN A 19 -15.949 26.874 17.673 1.00 25.58 C ATOM 145 OD1 ASN A 19 -15.288 27.883 17.386 1.00 29.01 O ATOM 146 ND2 ASN A 19 -16.901 26.425 16.867 1.00 27.41 N ATOM 147 N TYR A 20 -12.874 24.492 20.736 1.00 15.66 N ATOM 148 CA TYR A 20 -12.553 24.006 22.090 1.00 15.74 C ATOM 149 C TYR A 20 -11.944 25.195 22.849 1.00 17.62 C ATOM 150 O TYR A 20 -10.992 25.832 22.357 1.00 17.09 O ATOM 151 CB TYR A 20 -11.649 22.765 22.078 1.00 14.37 C ATOM 152 CG TYR A 20 -11.490 22.157 23.465 1.00 13.66 C ATOM 153 CD1 TYR A 20 -12.420 21.231 23.927 1.00 14.65 C ATOM 154 CD2 TYR A 20 -10.454 22.554 24.298 1.00 14.24 C ATOM 155 CE1 TYR A 20 -12.295 20.701 25.205 1.00 17.62 C ATOM 156 CE2 TYR A 20 -10.318 22.040 25.573 1.00 16.07 C ATOM 157 CZ TYR A 20 -11.260 21.119 26.027 1.00 16.99 C ATOM 158 OH TYR A 20 -11.102 20.648 27.304 1.00 19.02 O ATOM 159 N ARG A 21 -12.547 25.507 24.003 1.00 17.45 N ATOM 160 CA ARG A 21 -12.107 26.659 24.810 1.00 17.64 C ATOM 161 C ARG A 21 -12.146 27.947 24.017 1.00 15.49 C ATOM 162 O ARG A 21 -11.345 28.851 24.308 1.00 15.89 O ATOM 163 CB ARG A 21 -10.774 26.508 25.524 1.00 18.74 C ATOM 164 CG ARG A 21 -10.729 25.451 26.607 1.00 23.53 C ATOM 165 CD ARG A 21 -11.433 25.867 27.871 1.00 28.09 C ATOM 166 NE ARG A 21 -11.347 24.803 28.874 1.00 32.58 N ATOM 167 CZ ARG A 21 -11.953 23.612 28.918 1.00 34.31 C ATOM 168 NH1 ARG A 21 -12.906 23.259 28.065 1.00 34.82 N ATOM 169 NH2 ARG A 21 -11.685 22.677 29.857 1.00 36.23 N ATOM 170 N GLY A 22 -13.076 28.045 23.069 1.00 13.88 N ATOM 171 CA GLY A 22 -13.253 29.246 22.232 1.00 13.70 C ATOM 172 C GLY A 22 -12.288 29.407 21.072 1.00 12.95 C ATOM 173 O GLY A 22 -12.267 30.438 20.410 1.00 14.11 O ATOM 174 N TYR A 23 -11.508 28.352 20.789 1.00 12.12 N ATOM 175 CA TYR A 23 -10.528 28.425 19.690 1.00 11.82 C ATOM 176 C TYR A 23 -11.036 27.676 18.444 1.00 12.08 C ATOM 177 O TYR A 23 -11.143 26.461 18.430 1.00 13.96 O ATOM 178 CB TYR A 23 -9.151 27.876 20.116 1.00 10.65 C ATOM 179 CG TYR A 23 -8.433 28.774 21.109 1.00 7.71 C ATOM 180 CD1 TYR A 23 -7.635 29.823 20.683 1.00 7.85 C ATOM 181 CD2 TYR A 23 -8.592 28.532 22.476 1.00 8.50 C ATOM 182 CE1 TYR A 23 -6.958 30.638 21.584 1.00 7.76 C ATOM 183 CE2 TYR A 23 -7.939 29.379 23.388 1.00 9.57 C ATOM 184 CZ TYR A 23 -7.126 30.414 22.944 1.00 9.33 C ATOM 185 OH TYR A 23 -6.501 31.178 23.912 1.00 11.67 O ATOM 186 N SER A 24 -11.299 28.498 17.436 1.00 12.54 N ATOM 187 CA SER A 24 -11.815 27.952 16.172 1.00 13.43 C ATOM 188 C SER A 24 -10.767 26.993 15.591 1.00 13.13 C ATOM 189 O SER A 24 -9.561 27.108 15.867 1.00 12.39 O ATOM 190 CB SER A 24 -12.109 29.097 15.225 1.00 14.45 C ATOM 191 OG SER A 24 -10.880 29.683 14.817 1.00 15.98 O ATOM 192 N LEU A 25 -11.332 26.124 14.737 1.00 12.42 N ATOM 193 CA LEU A 25 -10.526 25.107 14.078 1.00 12.31 C ATOM 194 C LEU A 25 -9.308 25.667 13.375 1.00 12.64 C ATOM 195 O LEU A 25 -8.226 25.025 13.424 1.00 11.98 O ATOM 196 CB LEU A 25 -11.457 24.271 13.179 1.00 13.26 C ATOM 197 CG LEU A 25 -10.899 22.975 12.645 1.00 14.91 C ATOM 198 CD1 LEU A 25 -10.551 21.949 13.725 1.00 15.57 C ATOM 199 CD2 LEU A 25 -12.011 22.354 11.773 1.00 16.84 C ATOM 200 N GLY A 26 -9.448 26.781 12.691 1.00 11.18 N ATOM 201 CA GLY A 26 -8.305 27.384 11.967 1.00 10.80 C ATOM 202 C GLY A 26 -7.128 27.620 12.900 1.00 11.41 C ATOM 203 O GLY A 26 -5.969 27.502 12.434 1.00 12.24 O ATOM 204 N ASN A 27 -7.376 27.970 14.142 1.00 9.99 N ATOM 205 CA ASN A 27 -6.256 28.200 15.104 1.00 11.17 C ATOM 206 C ASN A 27 -5.439 26.917 15.324 1.00 10.96 C ATOM 207 O ASN A 27 -4.211 26.985 15.388 1.00 11.16 O ATOM 208 CB ASN A 27 -6.782 28.715 16.433 1.00 11.97 C ATOM 209 CG ASN A 27 -7.236 30.153 16.424 1.00 11.82 C ATOM 210 OD1 ASN A 27 -6.362 31.034 16.520 1.00 11.84 O ATOM 211 ND2 ASN A 27 -8.546 30.378 16.305 1.00 12.86 N ATOM 212 N TRP A 28 -6.119 25.791 15.498 1.00 10.29 N ATOM 213 CA TRP A 28 -5.452 24.492 15.741 1.00 8.60 C ATOM 214 C TRP A 28 -4.671 24.030 14.538 1.00 9.72 C ATOM 215 O TRP A 28 -3.582 23.476 14.710 1.00 9.71 O ATOM 216 CB TRP A 28 -6.507 23.445 16.147 1.00 10.15 C ATOM 217 CG TRP A 28 -7.159 23.806 17.436 1.00 9.51 C ATOM 218 CD1 TRP A 28 -8.378 24.420 17.600 1.00 10.73 C ATOM 219 CD2 TRP A 28 -6.600 23.672 18.747 1.00 11.91 C ATOM 220 NE1 TRP A 28 -8.633 24.617 18.953 1.00 10.83 N ATOM 221 CE2 TRP A 28 -7.567 24.150 19.670 1.00 10.05 C ATOM 222 CE3 TRP A 28 -5.398 23.107 19.214 1.00 12.61 C ATOM 223 CZ2 TRP A 28 -7.331 24.160 21.033 1.00 12.47 C ATOM 224 CZ3 TRP A 28 -5.183 23.096 20.576 1.00 14.48 C ATOM 225 CH2 TRP A 28 -6.132 23.631 21.455 1.00 12.38 C ATOM 226 N VAL A 29 -5.235 24.214 13.339 1.00 9.20 N ATOM 227 CA VAL A 29 -4.531 23.800 12.096 1.00 9.62 C ATOM 228 C VAL A 29 -3.304 24.700 11.906 1.00 9.30 C ATOM 229 O VAL A 29 -2.225 24.183 11.519 1.00 10.55 O ATOM 230 CB VAL A 29 -5.477 23.824 10.858 1.00 9.78 C ATOM 231 CG1 VAL A 29 -4.730 23.542 9.555 1.00 11.19 C ATOM 232 CG2 VAL A 29 -6.645 22.856 11.031 1.00 8.77 C ATOM 233 N CYS A 30 -3.452 25.993 12.123 1.00 9.67 N ATOM 234 CA CYS A 30 -2.357 26.959 12.002 1.00 8.56 C ATOM 235 C CYS A 30 -1.239 26.562 12.985 1.00 9.38 C ATOM 236 O CYS A 30 -0.054 26.557 12.612 1.00 9.24 O ATOM 237 CB CYS A 30 -2.860 28.390 12.288 1.00 7.36 C ATOM 238 SG CYS A 30 -1.576 29.634 12.031 1.00 11.01 S ATOM 239 N ALA A 31 -1.637 26.212 14.223 1.00 9.73 N ATOM 240 CA ALA A 31 -0.626 25.849 15.222 1.00 11.37 C ATOM 241 C ALA A 31 0.133 24.588 14.791 1.00 10.37 C ATOM 242 O ALA A 31 1.369 24.564 14.898 1.00 11.64 O ATOM 243 CB ALA A 31 -1.215 25.585 16.615 1.00 11.49 C ATOM 244 N ALA A 32 -0.594 23.594 14.298 1.00 9.57 N ATOM 245 CA ALA A 32 0.063 22.357 13.862 1.00 9.59 C ATOM 246 C ALA A 32 0.999 22.640 12.688 1.00 9.89 C ATOM 247 O ALA A 32 2.124 22.105 12.657 1.00 9.84 O ATOM 248 CB ALA A 32 -0.996 21.326 13.470 1.00 10.04 C ATOM 249 N LYS A 33 0.563 23.469 11.756 1.00 9.29 N ATOM 250 CA LYS A 33 1.426 23.798 10.594 1.00 10.90 C ATOM 251 C LYS A 33 2.814 24.283 10.985 1.00 11.09 C ATOM 252 O LYS A 33 3.885 23.791 10.571 1.00 12.56 O ATOM 253 CB LYS A 33 0.739 24.914 9.782 1.00 12.37 C ATOM 254 CG LYS A 33 1.688 25.522 8.705 1.00 14.89 C ATOM 255 CD LYS A 33 2.056 24.475 7.668 1.00 16.03 C ATOM 256 CE LYS A 33 2.928 25.049 6.558 1.00 20.27 C ATOM 257 NZ LYS A 33 3.282 23.892 5.660 1.00 22.39 N ATOM 258 N PHE A 34 2.835 25.324 11.813 1.00 10.76 N ATOM 259 CA PHE A 34 4.053 25.993 12.282 1.00 11.46 C ATOM 260 C PHE A 34 4.777 25.196 13.349 1.00 11.43 C ATOM 261 O PHE A 34 5.993 25.409 13.436 1.00 13.14 O ATOM 262 CB PHE A 34 3.810 27.472 12.622 1.00 11.52 C ATOM 263 CG PHE A 34 3.362 28.188 11.336 1.00 11.18 C ATOM 264 CD1 PHE A 34 4.134 28.098 10.170 1.00 12.48 C ATOM 265 CD2 PHE A 34 2.166 28.884 11.350 1.00 12.16 C ATOM 266 CE1 PHE A 34 3.682 28.739 9.006 1.00 12.66 C ATOM 267 CE2 PHE A 34 1.734 29.554 10.208 1.00 13.10 C ATOM 268 CZ PHE A 34 2.481 29.476 9.031 1.00 14.52 C ATOM 269 N GLU A 35 4.086 24.365 14.095 1.00 10.57 N ATOM 270 CA GLU A 35 4.851 23.618 15.142 1.00 9.99 C ATOM 271 C GLU A 35 5.545 22.408 14.540 1.00 11.86 C ATOM 272 O GLU A 35 6.675 22.122 14.929 1.00 11.16 O ATOM 273 CB GLU A 35 3.968 23.127 16.260 1.00 9.98 C ATOM 274 CG GLU A 35 3.385 24.163 17.232 1.00 11.07 C ATOM 275 CD GLU A 35 4.460 24.742 18.117 1.00 13.16 C ATOM 276 OE1 GLU A 35 5.564 24.231 18.147 1.00 12.81 O ATOM 277 OE2 GLU A 35 4.168 25.778 18.750 1.00 14.97 O ATOM 278 N SER A 36 4.859 21.724 13.618 1.00 11.12 N ATOM 279 CA SER A 36 5.447 20.467 13.099 1.00 10.67 C ATOM 280 C SER A 36 5.367 20.245 11.609 1.00 11.45 C ATOM 281 O SER A 36 5.836 19.157 11.182 1.00 12.12 O ATOM 282 CB SER A 36 4.579 19.377 13.759 1.00 10.15 C ATOM 283 OG SER A 36 3.267 19.339 13.238 1.00 10.44 O ATOM 284 N ASN A 37 4.831 21.185 10.871 1.00 11.79 N ATOM 285 CA ASN A 37 4.648 21.059 9.420 1.00 14.43 C ATOM 286 C ASN A 37 3.704 19.876 9.145 1.00 12.78 C ATOM 287 O ASN A 37 3.848 19.150 8.154 1.00 14.04 O ATOM 288 CB ASN A 37 6.003 21.011 8.706 1.00 17.82 C ATOM 289 CG ASN A 37 5.818 21.507 7.277 1.00 19.76 C ATOM 290 OD1 ASN A 37 4.846 22.210 6.922 1.00 23.16 O ATOM 291 ND2 ASN A 37 6.736 21.090 6.427 1.00 23.46 N ATOM 292 N PHE A 38 2.771 19.668 10.056 1.00 11.37 N ATOM 293 CA PHE A 38 1.775 18.598 10.013 1.00 12.05 C ATOM 294 C PHE A 38 2.381 17.173 10.090 1.00 11.74 C ATOM 295 O PHE A 38 1.699 16.205 9.667 1.00 11.39 O ATOM 296 CB PHE A 38 0.916 18.696 8.730 1.00 12.55 C ATOM 297 CG PHE A 38 0.156 19.975 8.542 1.00 11.89 C ATOM 298 CD1 PHE A 38 -0.456 20.602 9.625 1.00 11.68 C ATOM 299 CD2 PHE A 38 -0.009 20.477 7.252 1.00 13.42 C ATOM 300 CE1 PHE A 38 -1.206 21.774 9.399 1.00 14.42 C ATOM 301 CE2 PHE A 38 -0.748 21.655 7.008 1.00 12.56 C ATOM 302 CZ PHE A 38 -1.351 22.271 8.100 1.00 12.77 C ATOM 303 N ASN A 39 3.562 17.054 10.641 1.00 10.39 N ATOM 304 CA ASN A 39 4.244 15.711 10.752 1.00 10.65 C ATOM 305 C ASN A 39 4.119 15.176 12.175 1.00 10.66 C ATOM 306 O ASN A 39 4.628 15.751 13.194 1.00 10.69 O ATOM 307 CB ASN A 39 5.692 15.918 10.289 1.00 12.68 C ATOM 308 CG ASN A 39 6.546 14.652 10.335 1.00 13.78 C ATOM 309 OD1 ASN A 39 6.039 13.530 10.617 1.00 13.73 O ATOM 310 ND2 ASN A 39 7.799 14.830 9.937 1.00 15.67 N ATOM 311 N THR A 40 3.390 14.093 12.308 1.00 9.29 N ATOM 312 CA THR A 40 3.210 13.511 13.641 1.00 9.89 C ATOM 313 C THR A 40 4.528 13.046 14.264 1.00 10.13 C ATOM 314 O THR A 40 4.555 12.964 15.525 1.00 11.09 O ATOM 315 CB THR A 40 2.167 12.330 13.646 1.00 10.43 C ATOM 316 OG1 THR A 40 2.829 11.228 12.933 1.00 11.02 O ATOM 317 CG2 THR A 40 0.800 12.692 13.049 1.00 13.13 C ATOM 318 N GLN A 41 5.558 12.774 13.485 1.00 9.49 N ATOM 319 CA GLN A 41 6.822 12.267 14.044 1.00 8.92 C ATOM 320 C GLN A 41 7.825 13.361 14.379 1.00 9.96 C ATOM 321 O GLN A 41 8.981 13.064 14.781 1.00 12.24 O ATOM 322 CB GLN A 41 7.413 11.253 13.025 1.00 11.65 C ATOM 323 CG GLN A 41 6.582 9.988 12.889 1.00 12.61 C ATOM 324 CD GLN A 41 7.356 8.853 12.240 1.00 15.47 C ATOM 325 OE1 GLN A 41 8.181 8.227 12.894 1.00 16.31 O ATOM 326 NE2 GLN A 41 7.172 8.669 10.941 1.00 15.29 N ATOM 327 N ALA A 42 7.467 14.619 14.318 1.00 9.79 N ATOM 328 CA ALA A 42 8.420 15.700 14.619 1.00 10.39 C ATOM 329 C ALA A 42 8.827 15.705 16.117 1.00 10.85 C ATOM 330 O ALA A 42 7.964 15.520 17.005 1.00 10.12 O ATOM 331 CB ALA A 42 7.769 17.052 14.378 1.00 10.69 C ATOM 332 N THR A 43 10.101 15.952 16.325 1.00 9.89 N ATOM 333 CA THR A 43 10.638 16.056 17.696 1.00 11.31 C ATOM 334 C THR A 43 11.640 17.182 17.657 1.00 11.01 C ATOM 335 O THR A 43 12.315 17.371 16.617 1.00 14.45 O ATOM 336 CB THR A 43 11.311 14.744 18.245 1.00 11.32 C ATOM 337 OG1 THR A 43 12.409 14.429 17.305 1.00 12.61 O ATOM 338 CG2 THR A 43 10.392 13.544 18.444 1.00 10.64 C ATOM 339 N ASN A 44 11.796 17.855 18.772 1.00 11.87 N ATOM 340 CA ASN A 44 12.791 18.950 18.881 1.00 12.97 C ATOM 341 C ASN A 44 13.240 19.015 20.337 1.00 12.80 C ATOM 342 O ASN A 44 12.422 19.017 21.250 1.00 12.15 O ATOM 343 CB ASN A 44 12.210 20.258 18.376 1.00 17.64 C ATOM 344 CG ASN A 44 12.035 20.246 16.844 1.00 22.90 C ATOM 345 OD1 ASN A 44 13.017 20.334 16.069 1.00 25.38 O ATOM 346 ND2 ASN A 44 10.808 20.117 16.345 1.00 23.88 N ATOM 347 N ARG A 45 14.537 19.088 20.491 1.00 14.75 N ATOM 348 CA ARG A 45 15.110 19.146 21.863 1.00 16.02 C ATOM 349 C ARG A 45 15.269 20.585 22.297 1.00 16.63 C ATOM 350 O ARG A 45 15.731 21.406 21.493 1.00 17.02 O ATOM 351 CB ARG A 45 16.496 18.467 21.893 1.00 19.10 C ATOM 352 CG ARG A 45 17.033 18.343 23.342 1.00 23.20 C ATOM 353 CD ARG A 45 16.955 16.921 23.775 1.00 27.80 C ATOM 354 NE ARG A 45 17.091 16.638 25.192 1.00 32.22 N ATOM 355 CZ ARG A 45 17.804 15.681 25.804 1.00 31.64 C ATOM 356 NH1 ARG A 45 18.590 14.890 25.066 1.00 33.25 N ATOM 357 NH2 ARG A 45 17.744 15.485 27.124 1.00 31.39 N ATOM 358 N ASN A 46 14.979 20.883 23.535 1.00 15.65 N ATOM 359 CA ASN A 46 15.145 22.257 24.043 1.00 18.47 C ATOM 360 C ASN A 46 16.402 22.383 24.871 1.00 18.58 C ATOM 361 O ASN A 46 16.971 21.386 25.286 1.00 19.61 O ATOM 362 CB ASN A 46 13.906 22.662 24.837 1.00 19.93 C ATOM 363 CG ASN A 46 12.625 22.509 24.030 1.00 19.76 C ATOM 364 OD1 ASN A 46 11.721 21.748 24.398 1.00 23.92 O ATOM 365 ND2 ASN A 46 12.508 23.252 22.946 1.00 23.14 N ATOM 366 N THR A 47 16.793 23.607 25.125 1.00 20.75 N ATOM 367 CA THR A 47 17.982 23.908 25.927 1.00 22.85 C ATOM 368 C THR A 47 17.927 23.342 27.328 1.00 22.19 C ATOM 369 O THR A 47 18.998 22.879 27.763 1.00 23.57 O ATOM 370 CB THR A 47 18.308 25.453 25.962 1.00 24.55 C ATOM 371 OG1 THR A 47 17.072 26.122 26.398 1.00 29.25 O ATOM 372 CG2 THR A 47 18.769 25.878 24.562 1.00 26.05 C ATOM 373 N ASP A 48 16.778 23.315 27.957 1.00 21.42 N ATOM 374 CA ASP A 48 16.638 22.782 29.319 1.00 21.15 C ATOM 375 C ASP A 48 16.695 21.250 29.350 1.00 20.23 C ATOM 376 O ASP A 48 16.494 20.734 30.474 1.00 21.21 O ATOM 377 CB ASP A 48 15.373 23.305 29.993 1.00 21.09 C ATOM 378 CG ASP A 48 14.069 22.835 29.418 1.00 23.00 C ATOM 379 OD1 ASP A 48 13.999 22.041 28.460 1.00 22.46 O ATOM 380 OD2 ASP A 48 12.973 23.250 29.861 1.00 23.03 O ATOM 381 N GLY A 49 16.921 20.545 28.237 1.00 18.69 N ATOM 382 CA GLY A 49 16.963 19.104 28.183 1.00 15.56 C ATOM 383 C GLY A 49 15.639 18.437 27.905 1.00 15.23 C ATOM 384 O GLY A 49 15.596 17.217 27.686 1.00 16.08 O ATOM 385 N SER A 50 14.533 19.166 27.913 1.00 14.24 N ATOM 386 CA SER A 50 13.187 18.633 27.636 1.00 12.79 C ATOM 387 C SER A 50 13.059 18.478 26.100 1.00 11.63 C ATOM 388 O SER A 50 13.929 18.965 25.346 1.00 11.64 O ATOM 389 CB SER A 50 12.121 19.538 28.232 1.00 13.08 C ATOM 390 OG SER A 50 12.076 20.744 27.509 1.00 15.06 O ATOM 391 N THR A 51 12.032 17.807 25.629 1.00 11.14 N ATOM 392 CA THR A 51 11.869 17.586 24.167 1.00 10.89 C ATOM 393 C THR A 51 10.388 17.807 23.850 1.00 11.38 C ATOM 394 O THR A 51 9.575 17.471 24.730 1.00 11.06 O ATOM 395 CB THR A 51 12.309 16.126 23.761 1.00 11.34 C ATOM 396 OG1 THR A 51 13.703 15.929 24.161 1.00 12.51 O ATOM 397 CG2 THR A 51 12.132 15.768 22.270 1.00 10.33 C ATOM 398 N ASP A 52 10.129 18.337 22.673 1.00 11.05 N ATOM 399 CA ASP A 52 8.751 18.596 22.167 1.00 11.23 C ATOM 400 C ASP A 52 8.422 17.471 21.153 1.00 10.19 C ATOM 401 O ASP A 52 9.288 17.131 20.326 1.00 11.10 O ATOM 402 CB ASP A 52 8.599 19.931 21.502 1.00 11.97 C ATOM 403 CG ASP A 52 8.946 21.046 22.466 1.00 15.43 C ATOM 404 OD1 ASP A 52 8.740 21.058 23.652 1.00 15.75 O ATOM 405 OD2 ASP A 52 9.470 22.019 21.918 1.00 20.84 O ATOM 406 N TYR A 53 7.210 16.951 21.275 1.00 9.64 N ATOM 407 CA TYR A 53 6.802 15.829 20.470 1.00 9.39 C ATOM 408 C TYR A 53 5.485 15.956 19.738 1.00 10.28 C ATOM 409 O TYR A 53 4.487 16.404 20.278 1.00 9.80 O ATOM 410 CB TYR A 53 6.566 14.638 21.447 1.00 10.36 C ATOM 411 CG TYR A 53 7.785 14.123 22.159 1.00 10.21 C ATOM 412 CD1 TYR A 53 8.228 14.739 23.327 1.00 10.27 C ATOM 413 CD2 TYR A 53 8.523 13.056 21.646 1.00 10.69 C ATOM 414 CE1 TYR A 53 9.373 14.281 23.984 1.00 10.56 C ATOM 415 CE2 TYR A 53 9.682 12.577 22.298 1.00 12.90 C ATOM 416 CZ TYR A 53 10.081 13.212 23.457 1.00 10.44 C ATOM 417 OH TYR A 53 11.208 12.818 24.147 1.00 13.14 O ATOM 418 N GLY A 54 5.506 15.499 18.516 1.00 10.69 N ATOM 419 CA GLY A 54 4.353 15.383 17.643 1.00 10.85 C ATOM 420 C GLY A 54 3.923 16.672 16.944 1.00 9.65 C ATOM 421 O GLY A 54 4.573 17.688 16.875 1.00 10.05 O ATOM 422 N ILE A 55 2.726 16.434 16.416 1.00 10.83 N ATOM 423 CA ILE A 55 2.018 17.440 15.623 1.00 12.22 C ATOM 424 C ILE A 55 1.845 18.762 16.350 1.00 11.81 C ATOM 425 O ILE A 55 1.902 19.802 15.672 1.00 12.14 O ATOM 426 CB ILE A 55 0.703 16.779 15.056 1.00 15.04 C ATOM 427 CG1 ILE A 55 0.301 17.617 13.805 1.00 18.23 C ATOM 428 CG2 ILE A 55 -0.416 16.630 16.121 1.00 15.53 C ATOM 429 CD1 ILE A 55 -0.073 16.721 12.599 1.00 18.55 C ATOM 430 N LEU A 56 1.614 18.709 17.678 1.00 10.53 N ATOM 431 CA LEU A 56 1.448 19.928 18.448 1.00 11.44 C ATOM 432 C LEU A 56 2.650 20.242 19.330 1.00 10.88 C ATOM 433 O LEU A 56 2.585 21.167 20.143 1.00 10.51 O ATOM 434 CB LEU A 56 0.100 19.931 19.148 1.00 12.22 C ATOM 435 CG LEU A 56 -1.116 20.236 18.248 1.00 15.27 C ATOM 436 CD1 LEU A 56 -2.420 19.893 18.984 1.00 16.06 C ATOM 437 CD2 LEU A 56 -1.071 21.706 17.905 1.00 16.55 C ATOM 438 N GLN A 57 3.750 19.505 19.123 1.00 10.20 N ATOM 439 CA GLN A 57 5.023 19.738 19.825 1.00 9.50 C ATOM 440 C GLN A 57 4.851 19.915 21.350 1.00 10.02 C ATOM 441 O GLN A 57 5.349 20.895 21.926 1.00 11.19 O ATOM 442 CB GLN A 57 5.761 20.945 19.226 1.00 9.34 C ATOM 443 CG GLN A 57 6.331 20.698 17.817 1.00 9.45 C ATOM 444 CD GLN A 57 7.496 19.725 17.892 1.00 10.28 C ATOM 445 OE1 GLN A 57 8.647 20.147 18.013 1.00 11.53 O ATOM 446 NE2 GLN A 57 7.189 18.436 17.822 1.00 9.91 N ATOM 447 N ILE A 58 4.225 18.938 21.965 1.00 9.86 N ATOM 448 CA ILE A 58 3.958 18.938 23.405 1.00 10.38 C ATOM 449 C ILE A 58 5.230 18.594 24.163 1.00 11.56 C ATOM 450 O ILE A 58 5.945 17.624 23.834 1.00 11.50 O ATOM 451 CB ILE A 58 2.769 17.965 23.650 1.00 12.53 C ATOM 452 CG1 ILE A 58 1.437 18.548 23.064 1.00 13.38 C ATOM 453 CG2 ILE A 58 2.650 17.637 25.177 1.00 13.88 C ATOM 454 CD1 ILE A 58 0.300 17.496 23.189 1.00 14.21 C ATOM 455 N ASN A 59 5.507 19.397 25.186 1.00 12.51 N ATOM 456 CA ASN A 59 6.743 19.321 25.992 1.00 14.25 C ATOM 457 C ASN A 59 6.800 18.281 27.096 1.00 13.09 C ATOM 458 O ASN A 59 5.861 18.109 27.854 1.00 14.38 O ATOM 459 CB ASN A 59 7.011 20.765 26.533 1.00 16.39 C ATOM 460 CG ASN A 59 8.417 20.889 27.124 1.00 18.09 C ATOM 461 OD1 ASN A 59 8.650 20.862 28.341 1.00 21.42 O ATOM 462 ND2 ASN A 59 9.420 20.963 26.284 1.00 17.01 N ATOM 463 N SER A 60 7.958 17.623 27.194 1.00 12.37 N ATOM 464 CA SER A 60 8.206 16.580 28.175 1.00 13.32 C ATOM 465 C SER A 60 8.451 17.162 29.572 1.00 14.71 C ATOM 466 O SER A 60 8.390 16.326 30.511 1.00 15.98 O ATOM 467 CB SER A 60 9.393 15.682 27.788 1.00 12.25 C ATOM 468 OG SER A 60 10.608 16.429 27.809 1.00 10.46 O ATOM 469 N ARG A 61 8.733 18.448 29.661 1.00 16.15 N ATOM 470 CA ARG A 61 8.935 19.008 31.046 1.00 19.50 C ATOM 471 C ARG A 61 7.680 18.911 31.896 1.00 19.59 C ATOM 472 O ARG A 61 7.767 18.704 33.135 1.00 20.91 O ATOM 473 CB ARG A 61 9.469 20.440 31.081 1.00 21.94 C ATOM 474 CG ARG A 61 9.921 20.806 32.507 1.00 26.95 C ATOM 475 CD ARG A 61 10.905 21.913 32.499 1.00 30.20 C ATOM 476 NE ARG A 61 12.203 21.584 31.941 1.00 35.23 N ATOM 477 CZ ARG A 61 13.053 20.616 32.262 1.00 36.12 C ATOM 478 NH1 ARG A 61 12.766 19.722 33.228 1.00 39.45 N ATOM 479 NH2 ARG A 61 14.239 20.531 31.650 1.00 36.28 N ATOM 480 N TRP A 62 6.494 19.038 31.297 1.00 18.84 N ATOM 481 CA TRP A 62 5.260 18.943 32.049 1.00 18.50 C ATOM 482 C TRP A 62 4.225 17.946 31.611 1.00 16.09 C ATOM 483 O TRP A 62 3.398 17.554 32.457 1.00 17.72 O ATOM 484 CB TRP A 62 4.518 20.313 31.967 1.00 21.75 C ATOM 485 CG TRP A 62 5.352 21.488 32.336 1.00 27.69 C ATOM 486 CD1 TRP A 62 6.095 22.271 31.494 1.00 29.08 C ATOM 487 CD2 TRP A 62 5.516 22.030 33.655 1.00 30.55 C ATOM 488 NE1 TRP A 62 6.728 23.270 32.230 1.00 32.06 N ATOM 489 CE2 TRP A 62 6.382 23.141 33.542 1.00 32.22 C ATOM 490 CE3 TRP A 62 5.000 21.675 34.901 1.00 32.75 C ATOM 491 CZ2 TRP A 62 6.764 23.919 34.641 1.00 34.31 C ATOM 492 CZ3 TRP A 62 5.359 22.453 35.999 1.00 34.42 C ATOM 493 CH2 TRP A 62 6.227 23.548 35.873 1.00 34.40 C ATOM 494 N TRP A 63 4.194 17.601 30.335 1.00 15.25 N ATOM 495 CA TRP A 63 3.039 16.799 29.871 1.00 14.10 C ATOM 496 C TRP A 63 3.133 15.346 29.556 1.00 13.26 C ATOM 497 O TRP A 63 2.076 14.696 29.546 1.00 13.66 O ATOM 498 CB TRP A 63 2.466 17.562 28.612 1.00 13.73 C ATOM 499 CG TRP A 63 2.285 19.025 28.880 1.00 13.57 C ATOM 500 CD1 TRP A 63 3.070 20.063 28.485 1.00 13.76 C ATOM 501 CD2 TRP A 63 1.199 19.634 29.627 1.00 13.24 C ATOM 502 NE1 TRP A 63 2.556 21.246 28.924 1.00 12.62 N ATOM 503 CE2 TRP A 63 1.438 21.014 29.644 1.00 13.44 C ATOM 504 CE3 TRP A 63 0.095 19.073 30.293 1.00 12.63 C ATOM 505 CZ2 TRP A 63 0.595 21.928 30.320 1.00 12.88 C ATOM 506 CZ3 TRP A 63 -0.737 19.980 30.949 1.00 13.59 C ATOM 507 CH2 TRP A 63 -0.481 21.365 30.961 1.00 13.16 C ATOM 508 N CYS A 64 4.302 14.829 29.312 1.00 12.29 N ATOM 509 CA CYS A 64 4.457 13.417 28.949 1.00 12.38 C ATOM 510 C CYS A 64 5.759 12.918 29.563 1.00 11.34 C ATOM 511 O CYS A 64 6.646 13.708 29.919 1.00 12.24 O ATOM 512 CB CYS A 64 4.346 13.248 27.441 1.00 11.81 C ATOM 513 SG CYS A 64 5.673 14.068 26.453 1.00 12.79 S ATOM 514 N ASN A 65 5.856 11.613 29.627 1.00 11.93 N ATOM 515 CA ASN A 65 7.050 10.991 30.166 1.00 13.35 C ATOM 516 C ASN A 65 7.943 10.451 29.035 1.00 12.52 C ATOM 517 O ASN A 65 7.415 9.627 28.250 1.00 12.22 O ATOM 518 CB ASN A 65 6.628 9.844 31.115 1.00 16.69 C ATOM 519 CG ASN A 65 7.943 9.218 31.635 1.00 20.97 C ATOM 520 OD1 ASN A 65 8.829 9.943 32.119 1.00 21.42 O ATOM 521 ND2 ASN A 65 8.067 7.911 31.475 1.00 23.64 N ATOM 522 N ASP A 66 9.185 10.902 29.010 1.00 12.75 N ATOM 523 CA ASP A 66 10.141 10.415 28.010 1.00 12.65 C ATOM 524 C ASP A 66 11.333 9.729 28.710 1.00 14.65 C ATOM 525 O ASP A 66 12.264 9.274 28.042 1.00 14.07 O ATOM 526 CB ASP A 66 10.563 11.458 27.011 1.00 12.59 C ATOM 527 CG ASP A 66 11.399 12.585 27.497 1.00 11.64 C ATOM 528 OD1 ASP A 66 11.693 12.635 28.703 1.00 12.76 O ATOM 529 OD2 ASP A 66 11.755 13.426 26.638 1.00 10.66 O ATOM 530 N GLY A 67 11.297 9.655 30.002 1.00 15.57 N ATOM 531 CA GLY A 67 12.321 9.001 30.831 1.00 15.52 C ATOM 532 C GLY A 67 13.667 9.646 30.848 1.00 17.32 C ATOM 533 O GLY A 67 14.636 9.044 31.377 1.00 18.71 O ATOM 534 N ARG A 68 13.793 10.837 30.294 1.00 16.33 N ATOM 535 CA ARG A 68 15.080 11.547 30.255 1.00 17.76 C ATOM 536 C ARG A 68 14.923 13.019 30.513 1.00 18.19 C ATOM 537 O ARG A 68 15.755 13.803 30.011 1.00 20.20 O ATOM 538 CB ARG A 68 15.787 11.371 28.908 1.00 17.70 C ATOM 539 CG ARG A 68 15.053 11.998 27.724 1.00 17.73 C ATOM 540 CD ARG A 68 16.012 12.105 26.586 1.00 19.83 C ATOM 541 NE ARG A 68 15.675 13.045 25.544 1.00 20.51 N ATOM 542 CZ ARG A 68 16.204 13.053 24.303 1.00 20.77 C ATOM 543 NH1 ARG A 68 17.144 12.137 23.979 1.00 22.31 N ATOM 544 NH2 ARG A 68 15.801 13.980 23.395 1.00 18.43 N ATOM 545 N THR A 69 13.899 13.405 31.253 1.00 19.03 N ATOM 546 CA THR A 69 13.713 14.860 31.542 1.00 19.26 C ATOM 547 C THR A 69 13.615 14.940 33.062 1.00 20.91 C ATOM 548 O THR A 69 12.509 14.903 33.613 1.00 20.94 O ATOM 549 CB THR A 69 12.480 15.550 30.848 1.00 16.48 C ATOM 550 OG1 THR A 69 12.503 15.220 29.416 1.00 14.44 O ATOM 551 CG2 THR A 69 12.446 17.085 31.043 1.00 15.81 C ATOM 552 N PRO A 70 14.773 14.947 33.681 1.00 23.00 N ATOM 553 CA PRO A 70 14.835 14.978 35.154 1.00 23.74 C ATOM 554 C PRO A 70 13.905 15.964 35.811 1.00 24.20 C ATOM 555 O PRO A 70 13.802 17.159 35.543 1.00 24.02 O ATOM 556 CB PRO A 70 16.323 15.222 35.421 1.00 24.08 C ATOM 557 CG PRO A 70 16.891 14.297 34.319 1.00 24.02 C ATOM 558 CD PRO A 70 16.126 14.868 33.097 1.00 22.40 C ATOM 559 N GLY A 71 13.160 15.349 36.729 1.00 25.12 N ATOM 560 CA GLY A 71 12.167 15.966 37.583 1.00 26.68 C ATOM 561 C GLY A 71 11.068 16.684 36.811 1.00 27.17 C ATOM 562 O GLY A 71 10.698 17.787 37.222 1.00 29.33 O ATOM 563 N SER A 72 10.570 16.094 35.755 1.00 26.45 N ATOM 564 CA SER A 72 9.490 16.643 34.936 1.00 25.71 C ATOM 565 C SER A 72 8.180 15.971 35.397 1.00 25.13 C ATOM 566 O SER A 72 8.227 14.936 36.073 1.00 24.81 O ATOM 567 CB SER A 72 9.768 16.266 33.487 1.00 26.24 C ATOM 568 OG SER A 72 9.589 14.852 33.449 1.00 28.57 O ATOM 569 N ARG A 73 7.088 16.596 35.033 1.00 23.96 N ATOM 570 CA ARG A 73 5.738 16.113 35.366 1.00 23.53 C ATOM 571 C ARG A 73 5.269 15.389 34.094 1.00 22.59 C ATOM 572 O ARG A 73 5.952 15.499 33.029 1.00 24.44 O ATOM 573 CB ARG A 73 4.818 17.241 35.793 1.00 26.34 C ATOM 574 CG ARG A 73 5.177 17.717 37.215 1.00 32.80 C ATOM 575 CD ARG A 73 4.236 18.790 37.691 1.00 37.26 C ATOM 576 NE ARG A 73 3.131 18.267 38.479 1.00 41.04 N ATOM 577 CZ ARG A 73 2.042 18.899 38.923 1.00 41.49 C ATOM 578 NH1 ARG A 73 1.827 20.189 38.722 1.00 41.07 N ATOM 579 NH2 ARG A 73 1.115 18.136 39.546 1.00 42.20 N ATOM 580 N ASN A 74 4.224 14.645 34.211 1.00 18.93 N ATOM 581 CA ASN A 74 3.591 13.852 33.153 1.00 16.59 C ATOM 582 C ASN A 74 2.084 14.101 33.332 1.00 15.98 C ATOM 583 O ASN A 74 1.317 13.175 33.622 1.00 15.47 O ATOM 584 CB ASN A 74 4.001 12.391 33.292 1.00 16.91 C ATOM 585 CG ASN A 74 3.369 11.476 32.282 1.00 15.85 C ATOM 586 OD1 ASN A 74 3.456 10.234 32.431 1.00 18.33 O ATOM 587 ND2 ASN A 74 2.710 12.006 31.267 1.00 13.38 N ATOM 588 N LEU A 75 1.732 15.368 33.170 1.00 16.47 N ATOM 589 CA LEU A 75 0.324 15.742 33.367 1.00 17.90 C ATOM 590 C LEU A 75 -0.636 15.060 32.441 1.00 17.67 C ATOM 591 O LEU A 75 -1.831 14.998 32.806 1.00 18.27 O ATOM 592 CB LEU A 75 0.240 17.272 33.398 1.00 20.26 C ATOM 593 CG LEU A 75 0.890 17.865 34.647 1.00 21.46 C ATOM 594 CD1 LEU A 75 0.931 19.376 34.558 1.00 22.57 C ATOM 595 CD2 LEU A 75 0.055 17.437 35.873 1.00 23.18 C ATOM 596 N CYS A 76 -0.224 14.586 31.278 1.00 16.58 N ATOM 597 CA CYS A 76 -1.135 13.914 30.361 1.00 15.20 C ATOM 598 C CYS A 76 -1.190 12.407 30.599 1.00 16.40 C ATOM 599 O CYS A 76 -2.012 11.715 29.979 1.00 15.83 O ATOM 600 CB CYS A 76 -0.854 14.271 28.902 1.00 13.96 C ATOM 601 SG CYS A 76 -1.409 16.014 28.575 1.00 14.50 S ATOM 602 N ASN A 77 -0.311 11.917 31.451 1.00 16.79 N ATOM 603 CA ASN A 77 -0.268 10.506 31.780 1.00 18.54 C ATOM 604 C ASN A 77 -0.058 9.580 30.600 1.00 17.90 C ATOM 605 O ASN A 77 -0.788 8.578 30.459 1.00 17.09 O ATOM 606 CB ASN A 77 -1.628 10.097 32.454 1.00 24.41 C ATOM 607 CG ASN A 77 -1.350 10.292 33.947 1.00 29.32 C ATOM 608 OD1 ASN A 77 -0.431 9.578 34.415 1.00 34.38 O ATOM 609 ND2 ASN A 77 -2.075 11.198 34.582 1.00 31.12 N ATOM 610 N ILE A 78 0.926 9.914 29.815 1.00 16.18 N ATOM 611 CA ILE A 78 1.257 9.141 28.651 1.00 15.92 C ATOM 612 C ILE A 78 2.771 9.191 28.387 1.00 15.23 C ATOM 613 O ILE A 78 3.453 10.202 28.685 1.00 14.58 O ATOM 614 CB ILE A 78 0.626 9.810 27.332 1.00 15.90 C ATOM 615 CG1 ILE A 78 0.888 11.320 27.365 1.00 16.80 C ATOM 616 CG2 ILE A 78 -0.810 9.394 27.003 1.00 17.42 C ATOM 617 CD1 ILE A 78 0.685 12.050 26.000 1.00 18.06 C ATOM 618 N PRO A 79 3.253 8.153 27.730 1.00 14.74 N ATOM 619 CA PRO A 79 4.666 8.190 27.269 1.00 14.20 C ATOM 620 C PRO A 79 4.661 9.195 26.080 1.00 12.43 C ATOM 621 O PRO A 79 3.713 9.253 25.253 1.00 14.87 O ATOM 622 CB PRO A 79 4.918 6.809 26.758 1.00 14.94 C ATOM 623 CG PRO A 79 3.605 6.078 26.736 1.00 15.44 C ATOM 624 CD PRO A 79 2.522 6.978 27.267 1.00 14.99 C ATOM 625 N CYS A 80 5.703 9.990 25.996 1.00 11.79 N ATOM 626 CA CYS A 80 5.820 10.993 24.932 1.00 9.96 C ATOM 627 C CYS A 80 5.750 10.315 23.573 1.00 10.31 C ATOM 628 O CYS A 80 5.284 10.938 22.604 1.00 11.29 O ATOM 629 CB CYS A 80 7.087 11.779 25.071 1.00 11.00 C ATOM 630 SG CYS A 80 7.210 12.806 26.572 1.00 11.15 S ATOM 631 N SER A 81 6.205 9.077 23.489 1.00 11.52 N ATOM 632 CA SER A 81 6.145 8.391 22.147 1.00 12.75 C ATOM 633 C SER A 81 4.725 8.230 21.622 1.00 13.23 C ATOM 634 O SER A 81 4.516 8.149 20.389 1.00 13.01 O ATOM 635 CB SER A 81 6.880 7.069 22.155 1.00 12.47 C ATOM 636 OG SER A 81 6.237 6.263 23.156 1.00 16.53 O ATOM 637 N ALA A 82 3.732 8.200 22.503 1.00 13.99 N ATOM 638 CA ALA A 82 2.304 8.109 22.170 1.00 14.47 C ATOM 639 C ALA A 82 1.886 9.304 21.300 1.00 14.45 C ATOM 640 O ALA A 82 0.959 9.236 20.490 1.00 16.52 O ATOM 641 CB ALA A 82 1.431 8.107 23.426 1.00 14.26 C ATOM 642 N LEU A 83 2.580 10.413 21.494 1.00 13.68 N ATOM 643 CA LEU A 83 2.308 11.655 20.752 1.00 13.62 C ATOM 644 C LEU A 83 2.837 11.632 19.324 1.00 13.30 C ATOM 645 O LEU A 83 2.582 12.641 18.647 1.00 15.23 O ATOM 646 CB LEU A 83 2.935 12.842 21.499 1.00 12.81 C ATOM 647 CG LEU A 83 2.417 13.049 22.934 1.00 14.24 C ATOM 648 CD1 LEU A 83 3.210 14.187 23.610 1.00 12.33 C ATOM 649 CD2 LEU A 83 0.933 13.429 22.867 1.00 13.72 C ATOM 650 N LEU A 84 3.548 10.593 18.920 1.00 12.97 N ATOM 651 CA LEU A 84 4.121 10.530 17.596 1.00 13.03 C ATOM 652 C LEU A 84 3.345 9.627 16.639 1.00 15.66 C ATOM 653 O LEU A 84 3.773 9.497 15.469 1.00 16.06 O ATOM 654 CB LEU A 84 5.578 10.058 17.677 1.00 13.30 C ATOM 655 CG LEU A 84 6.494 10.828 18.609 1.00 12.70 C ATOM 656 CD1 LEU A 84 7.912 10.224 18.613 1.00 14.14 C ATOM 657 CD2 LEU A 84 6.636 12.272 18.162 1.00 10.88 C ATOM 658 N SER A 85 2.304 9.017 17.148 1.00 15.99 N ATOM 659 CA SER A 85 1.465 8.113 16.351 1.00 16.43 C ATOM 660 C SER A 85 0.742 8.774 15.195 1.00 16.71 C ATOM 661 O SER A 85 0.418 9.970 15.178 1.00 15.62 O ATOM 662 CB SER A 85 0.439 7.568 17.378 1.00 16.33 C ATOM 663 OG SER A 85 -0.535 6.772 16.696 1.00 20.11 O ATOM 664 N SER A 86 0.371 7.956 14.220 1.00 17.41 N ATOM 665 CA SER A 86 -0.412 8.439 13.053 1.00 19.15 C ATOM 666 C SER A 86 -1.820 8.786 13.537 1.00 18.81 C ATOM 667 O SER A 86 -2.546 9.607 12.924 1.00 20.07 O ATOM 668 CB SER A 86 -0.357 7.440 11.899 1.00 22.14 C ATOM 669 OG SER A 86 -0.696 6.132 12.375 1.00 26.33 O ATOM 670 N ASP A 87 -2.226 8.189 14.645 1.00 18.38 N ATOM 671 CA ASP A 87 -3.546 8.455 15.276 1.00 18.24 C ATOM 672 C ASP A 87 -3.367 9.671 16.204 1.00 17.47 C ATOM 673 O ASP A 87 -2.632 9.542 17.210 1.00 18.37 O ATOM 674 CB ASP A 87 -4.022 7.215 16.008 1.00 18.93 C ATOM 675 CG ASP A 87 -5.385 7.361 16.626 1.00 22.72 C ATOM 676 OD1 ASP A 87 -5.863 8.366 17.162 1.00 22.02 O ATOM 677 OD2 ASP A 87 -6.137 6.357 16.505 1.00 25.18 O ATOM 678 N ILE A 88 -4.019 10.773 15.931 1.00 16.39 N ATOM 679 CA ILE A 88 -3.858 11.986 16.739 1.00 15.53 C ATOM 680 C ILE A 88 -4.604 12.043 18.047 1.00 15.35 C ATOM 681 O ILE A 88 -4.470 13.076 18.750 1.00 15.04 O ATOM 682 CB ILE A 88 -4.078 13.314 15.921 1.00 15.00 C ATOM 683 CG1 ILE A 88 -5.583 13.558 15.635 1.00 15.45 C ATOM 684 CG2 ILE A 88 -3.218 13.339 14.633 1.00 14.97 C ATOM 685 CD1 ILE A 88 -5.848 15.009 15.136 1.00 16.97 C ATOM 686 N THR A 89 -5.338 11.011 18.380 1.00 15.61 N ATOM 687 CA THR A 89 -6.110 11.031 19.644 1.00 15.71 C ATOM 688 C THR A 89 -5.316 11.478 20.879 1.00 15.43 C ATOM 689 O THR A 89 -5.795 12.362 21.607 1.00 15.07 O ATOM 690 CB THR A 89 -6.853 9.662 19.918 1.00 16.44 C ATOM 691 OG1 THR A 89 -7.569 9.354 18.713 1.00 18.28 O ATOM 692 CG2 THR A 89 -7.803 9.784 21.113 1.00 17.66 C ATOM 693 N ALA A 90 -4.164 10.847 21.163 1.00 13.09 N ATOM 694 CA ALA A 90 -3.417 11.223 22.367 1.00 13.13 C ATOM 695 C ALA A 90 -2.990 12.692 22.348 1.00 12.79 C ATOM 696 O ALA A 90 -3.004 13.344 23.403 1.00 11.79 O ATOM 697 CB ALA A 90 -2.221 10.287 22.564 1.00 13.89 C ATOM 698 N SER A 91 -2.565 13.134 21.168 1.00 11.77 N ATOM 699 CA SER A 91 -2.093 14.513 20.995 1.00 11.29 C ATOM 700 C SER A 91 -3.253 15.472 21.264 1.00 11.43 C ATOM 701 O SER A 91 -2.982 16.479 21.941 1.00 11.95 O ATOM 702 CB SER A 91 -1.478 14.777 19.634 1.00 12.51 C ATOM 703 OG SER A 91 -0.163 14.285 19.585 1.00 13.99 O ATOM 704 N VAL A 92 -4.413 15.139 20.764 1.00 10.29 N ATOM 705 CA VAL A 92 -5.593 15.988 20.967 1.00 11.19 C ATOM 706 C VAL A 92 -6.008 15.984 22.422 1.00 12.29 C ATOM 707 O VAL A 92 -6.323 17.081 22.972 1.00 12.11 O ATOM 708 CB VAL A 92 -6.737 15.571 19.996 1.00 13.31 C ATOM 709 CG1 VAL A 92 -8.097 16.189 20.412 1.00 14.03 C ATOM 710 CG2 VAL A 92 -6.378 15.972 18.582 1.00 13.93 C ATOM 711 N ASN A 93 -6.068 14.828 23.056 1.00 13.46 N ATOM 712 CA ASN A 93 -6.478 14.716 24.473 1.00 15.03 C ATOM 713 C ASN A 93 -5.577 15.569 25.366 1.00 13.63 C ATOM 714 O ASN A 93 -6.072 16.251 26.283 1.00 14.29 O ATOM 715 CB ASN A 93 -6.617 13.273 24.967 1.00 18.32 C ATOM 716 CG ASN A 93 -7.831 12.621 24.294 1.00 23.00 C ATOM 717 OD1 ASN A 93 -8.721 13.306 23.744 1.00 23.68 O ATOM 718 ND2 ASN A 93 -7.840 11.284 24.351 1.00 26.48 N ATOM 719 N CYS A 94 -4.298 15.451 25.113 1.00 11.31 N ATOM 720 CA CYS A 94 -3.293 16.240 25.860 1.00 11.73 C ATOM 721 C CYS A 94 -3.408 17.729 25.575 1.00 11.23 C ATOM 722 O CYS A 94 -3.366 18.568 26.483 1.00 10.14 O ATOM 723 CB CYS A 94 -1.908 15.635 25.602 1.00 11.15 C ATOM 724 SG CYS A 94 -0.662 16.321 26.722 1.00 13.81 S ATOM 725 N ALA A 95 -3.557 18.145 24.329 1.00 10.98 N ATOM 726 CA ALA A 95 -3.717 19.537 23.910 1.00 11.20 C ATOM 727 C ALA A 95 -4.890 20.169 24.662 1.00 11.47 C ATOM 728 O ALA A 95 -4.855 21.345 25.062 1.00 11.13 O ATOM 729 CB ALA A 95 -3.879 19.654 22.410 1.00 10.56 C ATOM 730 N LYS A 96 -5.973 19.422 24.820 1.00 11.55 N ATOM 731 CA LYS A 96 -7.140 19.965 25.549 1.00 12.10 C ATOM 732 C LYS A 96 -6.724 20.272 26.970 1.00 13.34 C ATOM 733 O LYS A 96 -7.182 21.265 27.507 1.00 14.41 O ATOM 734 CB LYS A 96 -8.268 18.947 25.528 1.00 13.68 C ATOM 735 CG LYS A 96 -8.898 18.793 24.123 1.00 13.73 C ATOM 736 CD LYS A 96 -9.971 17.691 24.207 1.00 16.42 C ATOM 737 CE LYS A 96 -10.704 17.743 22.857 1.00 17.82 C ATOM 738 NZ LYS A 96 -11.655 16.618 22.732 1.00 18.56 N ATOM 739 N LYS A 97 -5.904 19.468 27.627 1.00 14.15 N ATOM 740 CA LYS A 97 -5.476 19.810 29.022 1.00 15.29 C ATOM 741 C LYS A 97 -4.611 21.062 29.040 1.00 14.88 C ATOM 742 O LYS A 97 -4.749 21.995 29.833 1.00 15.53 O ATOM 743 CB LYS A 97 -4.734 18.615 29.641 1.00 17.68 C ATOM 744 CG LYS A 97 -5.815 17.592 30.081 1.00 24.46 C ATOM 745 CD LYS A 97 -5.453 16.144 29.884 1.00 28.46 C ATOM 746 CE LYS A 97 -5.913 15.312 31.085 1.00 31.71 C ATOM 747 NZ LYS A 97 -4.860 15.417 32.162 1.00 33.26 N ATOM 748 N ILE A 98 -3.656 21.094 28.096 1.00 13.37 N ATOM 749 CA ILE A 98 -2.757 22.265 27.981 1.00 11.97 C ATOM 750 C ILE A 98 -3.558 23.567 27.796 1.00 11.52 C ATOM 751 O ILE A 98 -3.222 24.534 28.493 1.00 11.85 O ATOM 752 CB ILE A 98 -1.712 22.060 26.818 1.00 11.57 C ATOM 753 CG1 ILE A 98 -0.838 20.804 27.061 1.00 13.14 C ATOM 754 CG2 ILE A 98 -0.816 23.305 26.590 1.00 9.96 C ATOM 755 CD1 ILE A 98 0.026 20.363 25.836 1.00 13.45 C ATOM 756 N VAL A 99 -4.447 23.629 26.833 1.00 11.63 N ATOM 757 CA VAL A 99 -5.214 24.857 26.496 1.00 12.86 C ATOM 758 C VAL A 99 -6.103 25.306 27.645 1.00 15.48 C ATOM 759 O VAL A 99 -6.484 26.484 27.668 1.00 16.32 O ATOM 760 CB VAL A 99 -5.939 24.726 25.148 1.00 13.11 C ATOM 761 CG1 VAL A 99 -7.215 23.907 25.247 1.00 11.65 C ATOM 762 CG2 VAL A 99 -6.238 26.075 24.493 1.00 13.07 C ATOM 763 N SER A 100 -6.436 24.409 28.532 1.00 16.10 N ATOM 764 CA SER A 100 -7.290 24.684 29.684 1.00 18.60 C ATOM 765 C SER A 100 -6.450 25.121 30.892 1.00 20.22 C ATOM 766 O SER A 100 -7.068 25.403 31.938 1.00 20.85 O ATOM 767 CB SER A 100 -8.071 23.417 30.081 1.00 16.08 C ATOM 768 OG SER A 100 -8.836 22.944 28.996 1.00 15.61 O ATOM 769 N ASP A 101 -5.150 25.194 30.736 1.00 21.73 N ATOM 770 CA ASP A 101 -4.200 25.491 31.808 1.00 23.59 C ATOM 771 C ASP A 101 -4.167 26.931 32.274 1.00 23.86 C ATOM 772 O ASP A 101 -3.441 27.159 33.289 1.00 25.44 O ATOM 773 CB ASP A 101 -2.793 24.968 31.458 1.00 25.16 C ATOM 774 CG ASP A 101 -1.900 24.640 32.625 1.00 28.80 C ATOM 775 OD1 ASP A 101 -2.299 23.877 33.535 1.00 27.47 O ATOM 776 OD2 ASP A 101 -0.750 25.156 32.701 1.00 32.10 O ATOM 777 N GLY A 102 -4.828 27.846 31.610 1.00 23.09 N ATOM 778 CA GLY A 102 -4.813 29.256 32.069 1.00 21.94 C ATOM 779 C GLY A 102 -4.277 30.226 31.016 1.00 21.30 C ATOM 780 O GLY A 102 -4.795 31.366 30.958 1.00 20.70 O ATOM 781 N ASN A 103 -3.321 29.785 30.202 1.00 20.00 N ATOM 782 CA ASN A 103 -2.727 30.658 29.165 1.00 17.57 C ATOM 783 C ASN A 103 -3.323 30.452 27.790 1.00 14.57 C ATOM 784 O ASN A 103 -2.883 31.098 26.831 1.00 14.28 O ATOM 785 CB ASN A 103 -1.193 30.548 29.204 1.00 22.09 C ATOM 786 CG ASN A 103 -0.766 31.149 30.563 1.00 27.41 C ATOM 787 OD1 ASN A 103 -1.294 32.175 31.023 1.00 29.82 O ATOM 788 ND2 ASN A 103 0.115 30.461 31.270 1.00 29.63 N ATOM 789 N GLY A 104 -4.289 29.612 27.649 1.00 13.65 N ATOM 790 CA GLY A 104 -4.936 29.363 26.343 1.00 12.95 C ATOM 791 C GLY A 104 -3.875 28.848 25.356 1.00 11.50 C ATOM 792 O GLY A 104 -2.956 28.128 25.744 1.00 11.38 O ATOM 793 N MET A 105 -4.070 29.260 24.115 1.00 11.10 N ATOM 794 CA MET A 105 -3.163 28.822 23.017 1.00 10.83 C ATOM 795 C MET A 105 -1.776 29.468 23.094 1.00 10.62 C ATOM 796 O MET A 105 -0.886 29.042 22.340 1.00 9.90 O ATOM 797 CB MET A 105 -3.803 28.892 21.646 1.00 8.52 C ATOM 798 CG MET A 105 -4.802 27.733 21.524 1.00 9.44 C ATOM 799 SD MET A 105 -5.270 27.511 19.743 1.00 12.46 S ATOM 800 CE MET A 105 -3.828 26.640 19.151 1.00 11.73 C ATOM 801 N ASN A 106 -1.597 30.426 23.996 1.00 11.83 N ATOM 802 CA ASN A 106 -0.291 31.096 24.183 1.00 10.76 C ATOM 803 C ASN A 106 0.766 30.072 24.627 1.00 11.59 C ATOM 804 O ASN A 106 1.956 30.375 24.466 1.00 13.71 O ATOM 805 CB ASN A 106 -0.376 32.264 25.150 1.00 11.84 C ATOM 806 CG ASN A 106 -1.257 33.370 24.575 1.00 13.33 C ATOM 807 OD1 ASN A 106 -0.914 33.947 23.534 1.00 13.53 O ATOM 808 ND2 ASN A 106 -2.347 33.621 25.286 1.00 11.91 N ATOM 809 N ALA A 107 0.322 28.917 25.116 1.00 11.55 N ATOM 810 CA ALA A 107 1.241 27.854 25.496 1.00 11.20 C ATOM 811 C ALA A 107 2.021 27.405 24.261 1.00 13.20 C ATOM 812 O ALA A 107 3.105 26.809 24.437 1.00 14.26 O ATOM 813 CB ALA A 107 0.431 26.677 26.008 1.00 11.36 C ATOM 814 N TRP A 108 1.520 27.633 23.060 1.00 11.16 N ATOM 815 CA TRP A 108 2.273 27.221 21.841 1.00 11.71 C ATOM 816 C TRP A 108 2.921 28.487 21.269 1.00 12.03 C ATOM 817 O TRP A 108 2.175 29.317 20.716 1.00 10.34 O ATOM 818 CB TRP A 108 1.369 26.547 20.801 1.00 11.76 C ATOM 819 CG TRP A 108 0.950 25.166 21.198 1.00 11.18 C ATOM 820 CD1 TRP A 108 1.713 24.029 20.992 1.00 11.28 C ATOM 821 CD2 TRP A 108 -0.224 24.743 21.883 1.00 11.37 C ATOM 822 NE1 TRP A 108 1.034 22.920 21.463 1.00 11.79 N ATOM 823 CE2 TRP A 108 -0.150 23.333 22.014 1.00 12.17 C ATOM 824 CE3 TRP A 108 -1.360 25.410 22.362 1.00 12.39 C ATOM 825 CZ2 TRP A 108 -1.133 22.589 22.635 1.00 11.99 C ATOM 826 CZ3 TRP A 108 -2.341 24.650 23.000 1.00 13.69 C ATOM 827 CH2 TRP A 108 -2.229 23.265 23.134 1.00 12.62 C ATOM 828 N VAL A 109 4.238 28.551 21.382 1.00 12.97 N ATOM 829 CA VAL A 109 4.976 29.744 20.894 1.00 13.36 C ATOM 830 C VAL A 109 4.746 30.045 19.414 1.00 13.00 C ATOM 831 O VAL A 109 4.615 31.231 19.055 1.00 13.94 O ATOM 832 CB VAL A 109 6.478 29.579 21.220 1.00 16.03 C ATOM 833 CG1 VAL A 109 7.064 28.435 20.410 1.00 17.82 C ATOM 834 CG2 VAL A 109 7.221 30.904 20.983 1.00 18.24 C ATOM 835 N ALA A 110 4.686 29.024 18.568 1.00 12.78 N ATOM 836 CA ALA A 110 4.460 29.243 17.135 1.00 13.37 C ATOM 837 C ALA A 110 3.044 29.792 16.981 1.00 13.02 C ATOM 838 O ALA A 110 2.865 30.570 16.018 1.00 13.87 O ATOM 839 CB ALA A 110 4.724 28.021 16.259 1.00 11.72 C ATOM 840 N TRP A 111 2.094 29.384 17.813 1.00 12.22 N ATOM 841 CA TRP A 111 0.726 29.974 17.646 1.00 11.85 C ATOM 842 C TRP A 111 0.719 31.476 17.939 1.00 11.98 C ATOM 843 O TRP A 111 0.135 32.327 17.239 1.00 12.15 O ATOM 844 CB TRP A 111 -0.298 29.238 18.532 1.00 11.37 C ATOM 845 CG TRP A 111 -1.642 29.883 18.380 1.00 11.52 C ATOM 846 CD1 TRP A 111 -2.573 29.675 17.393 1.00 10.61 C ATOM 847 CD2 TRP A 111 -2.220 30.852 19.262 1.00 10.42 C ATOM 848 NE1 TRP A 111 -3.662 30.498 17.612 1.00 10.20 N ATOM 849 CE2 TRP A 111 -3.490 31.179 18.763 1.00 10.37 C ATOM 850 CE3 TRP A 111 -1.763 31.461 20.438 1.00 11.67 C ATOM 851 CZ2 TRP A 111 -4.321 32.090 19.424 1.00 11.86 C ATOM 852 CZ3 TRP A 111 -2.597 32.350 21.088 1.00 11.51 C ATOM 853 CH2 TRP A 111 -3.837 32.708 20.580 1.00 10.32 C ATOM 854 N ARG A 112 1.359 31.790 19.049 1.00 12.73 N ATOM 855 CA ARG A 112 1.454 33.159 19.533 1.00 14.44 C ATOM 856 C ARG A 112 2.142 34.078 18.517 1.00 13.83 C ATOM 857 O ARG A 112 1.639 35.164 18.218 1.00 13.21 O ATOM 858 CB ARG A 112 2.254 33.122 20.844 1.00 16.20 C ATOM 859 CG ARG A 112 1.891 34.290 21.730 1.00 22.49 C ATOM 860 CD ARG A 112 2.503 33.979 23.089 1.00 26.04 C ATOM 861 NE ARG A 112 3.945 34.135 22.967 1.00 30.78 N ATOM 862 CZ ARG A 112 4.793 33.147 23.300 1.00 32.77 C ATOM 863 NH1 ARG A 112 4.355 31.961 23.742 1.00 33.75 N ATOM 864 NH2 ARG A 112 6.103 33.416 23.189 1.00 33.16 N ATOM 865 N ASN A 113 3.262 33.627 17.966 1.00 13.43 N ATOM 866 CA ASN A 113 4.035 34.459 17.013 1.00 13.68 C ATOM 867 C ASN A 113 3.588 34.359 15.573 1.00 12.93 C ATOM 868 O ASN A 113 3.958 35.306 14.849 1.00 13.81 O ATOM 869 CB ASN A 113 5.514 34.041 17.109 1.00 12.95 C ATOM 870 CG ASN A 113 6.074 34.414 18.475 1.00 14.63 C ATOM 871 OD1 ASN A 113 5.667 35.456 18.992 1.00 16.84 O ATOM 872 ND2 ASN A 113 6.996 33.616 18.953 1.00 14.03 N ATOM 873 N ARG A 114 2.888 33.333 15.143 1.00 12.00 N ATOM 874 CA ARG A 114 2.529 33.225 13.738 1.00 13.03 C ATOM 875 C ARG A 114 1.081 33.042 13.420 1.00 13.38 C ATOM 876 O ARG A 114 0.725 33.121 12.199 1.00 15.01 O ATOM 877 CB ARG A 114 3.299 31.962 13.186 1.00 12.93 C ATOM 878 CG ARG A 114 4.787 32.224 13.462 1.00 15.89 C ATOM 879 CD ARG A 114 5.643 31.136 12.957 1.00 16.69 C ATOM 880 NE ARG A 114 5.819 31.245 11.491 1.00 15.10 N ATOM 881 CZ ARG A 114 6.610 30.356 10.897 1.00 14.98 C ATOM 882 NH1 ARG A 114 7.253 29.396 11.551 1.00 16.07 N ATOM 883 NH2 ARG A 114 6.677 30.417 9.562 1.00 17.07 N ATOM 884 N CYS A 115 0.269 32.763 14.400 1.00 10.62 N ATOM 885 CA CYS A 115 -1.164 32.545 14.149 1.00 11.13 C ATOM 886 C CYS A 115 -2.065 33.582 14.792 1.00 11.15 C ATOM 887 O CYS A 115 -3.027 33.985 14.116 1.00 11.76 O ATOM 888 CB CYS A 115 -1.634 31.158 14.630 1.00 10.48 C ATOM 889 SG CYS A 115 -0.701 29.838 13.846 1.00 11.17 S ATOM 890 N LYS A 116 -1.760 33.823 16.057 1.00 11.31 N ATOM 891 CA LYS A 116 -2.539 34.787 16.859 1.00 11.68 C ATOM 892 C LYS A 116 -2.746 36.101 16.108 1.00 13.74 C ATOM 893 O LYS A 116 -1.748 36.737 15.659 1.00 13.35 O ATOM 894 CB LYS A 116 -1.760 35.078 18.149 1.00 12.98 C ATOM 895 CG LYS A 116 -2.578 35.854 19.192 1.00 12.26 C ATOM 896 CD LYS A 116 -1.740 36.075 20.461 1.00 12.32 C ATOM 897 CE LYS A 116 -2.624 36.633 21.580 1.00 14.19 C ATOM 898 NZ LYS A 116 -1.853 36.670 22.870 1.00 12.98 N ATOM 899 N GLY A 117 -3.996 36.470 15.965 1.00 14.86 N ATOM 900 CA GLY A 117 -4.367 37.718 15.290 1.00 17.74 C ATOM 901 C GLY A 117 -4.309 37.738 13.783 1.00 19.73 C ATOM 902 O GLY A 117 -4.445 38.829 13.148 1.00 20.89 O ATOM 903 N THR A 118 -4.121 36.596 13.142 1.00 18.21 N ATOM 904 CA THR A 118 -4.046 36.509 11.675 1.00 17.10 C ATOM 905 C THR A 118 -5.371 35.928 11.227 1.00 17.59 C ATOM 906 O THR A 118 -6.125 35.469 12.100 1.00 17.32 O ATOM 907 CB THR A 118 -2.806 35.617 11.273 1.00 17.82 C ATOM 908 OG1 THR A 118 -3.170 34.247 11.630 1.00 17.55 O ATOM 909 CG2 THR A 118 -1.514 36.062 11.965 1.00 17.18 C ATOM 910 N ASP A 119 -5.634 35.938 9.949 1.00 19.10 N ATOM 911 CA ASP A 119 -6.913 35.360 9.456 1.00 20.36 C ATOM 912 C ASP A 119 -6.762 33.842 9.475 1.00 19.76 C ATOM 913 O ASP A 119 -6.470 33.222 8.450 1.00 19.63 O ATOM 914 CB ASP A 119 -7.197 35.978 8.084 1.00 25.06 C ATOM 915 CG ASP A 119 -8.421 35.298 7.484 1.00 28.00 C ATOM 916 OD1 ASP A 119 -9.277 34.888 8.293 1.00 30.69 O ATOM 917 OD2 ASP A 119 -8.494 35.166 6.251 1.00 30.09 O ATOM 918 N VAL A 120 -6.995 33.233 10.633 1.00 19.11 N ATOM 919 CA VAL A 120 -6.822 31.778 10.763 1.00 18.39 C ATOM 920 C VAL A 120 -7.837 30.990 9.963 1.00 18.28 C ATOM 921 O VAL A 120 -7.584 29.789 9.686 1.00 17.44 O ATOM 922 CB VAL A 120 -6.720 31.346 12.238 1.00 18.73 C ATOM 923 CG1 VAL A 120 -5.409 31.782 12.894 1.00 17.33 C ATOM 924 CG2 VAL A 120 -7.906 31.803 13.072 1.00 17.03 C ATOM 925 N GLN A 121 -8.917 31.608 9.578 1.00 18.64 N ATOM 926 CA GLN A 121 -9.952 30.865 8.819 1.00 20.93 C ATOM 927 C GLN A 121 -9.387 30.410 7.495 1.00 19.65 C ATOM 928 O GLN A 121 -9.896 29.442 6.893 1.00 19.23 O ATOM 929 CB GLN A 121 -11.226 31.692 8.786 1.00 26.64 C ATOM 930 CG GLN A 121 -12.337 31.187 7.873 1.00 34.03 C ATOM 931 CD GLN A 121 -13.665 31.525 8.543 1.00 38.86 C ATOM 932 OE1 GLN A 121 -13.846 32.657 9.039 1.00 43.07 O ATOM 933 NE2 GLN A 121 -14.586 30.558 8.579 1.00 40.87 N ATOM 934 N ALA A 122 -8.351 31.075 7.011 1.00 18.92 N ATOM 935 CA ALA A 122 -7.683 30.691 5.763 1.00 17.32 C ATOM 936 C ALA A 122 -7.189 29.236 5.846 1.00 17.35 C ATOM 937 O ALA A 122 -7.143 28.538 4.816 1.00 15.77 O ATOM 938 CB ALA A 122 -6.480 31.583 5.460 1.00 17.39 C ATOM 939 N TRP A 123 -6.819 28.781 7.049 1.00 15.01 N ATOM 940 CA TRP A 123 -6.308 27.401 7.205 1.00 16.24 C ATOM 941 C TRP A 123 -7.337 26.332 6.903 1.00 15.66 C ATOM 942 O TRP A 123 -6.953 25.165 6.685 1.00 17.65 O ATOM 943 CB TRP A 123 -5.634 27.223 8.592 1.00 14.18 C ATOM 944 CG TRP A 123 -4.404 28.090 8.651 1.00 14.87 C ATOM 945 CD1 TRP A 123 -4.201 29.315 9.241 1.00 16.00 C ATOM 946 CD2 TRP A 123 -3.161 27.746 8.022 1.00 15.44 C ATOM 947 NE1 TRP A 123 -2.919 29.786 9.017 1.00 14.93 N ATOM 948 CE2 TRP A 123 -2.277 28.832 8.268 1.00 14.62 C ATOM 949 CE3 TRP A 123 -2.752 26.643 7.272 1.00 16.19 C ATOM 950 CZ2 TRP A 123 -0.982 28.783 7.777 1.00 16.90 C ATOM 951 CZ3 TRP A 123 -1.480 26.611 6.728 1.00 16.24 C ATOM 952 CH2 TRP A 123 -0.626 27.679 7.021 1.00 16.12 C ATOM 953 N ILE A 124 -8.621 26.639 6.912 1.00 16.46 N ATOM 954 CA ILE A 124 -9.663 25.626 6.631 1.00 17.03 C ATOM 955 C ILE A 124 -10.435 25.884 5.353 1.00 17.78 C ATOM 956 O ILE A 124 -11.325 25.066 5.035 1.00 18.24 O ATOM 957 CB ILE A 124 -10.554 25.418 7.890 1.00 16.90 C ATOM 958 CG1 ILE A 124 -11.265 26.728 8.281 1.00 16.74 C ATOM 959 CG2 ILE A 124 -9.727 24.818 9.078 1.00 17.18 C ATOM 960 CD1 ILE A 124 -12.433 26.444 9.265 1.00 18.21 C ATOM 961 N ARG A 125 -10.071 26.915 4.660 1.00 19.48 N ATOM 962 CA ARG A 125 -10.671 27.345 3.391 1.00 22.20 C ATOM 963 C ARG A 125 -10.571 26.194 2.416 1.00 21.94 C ATOM 964 O ARG A 125 -9.535 25.533 2.309 1.00 21.80 O ATOM 965 CB ARG A 125 -9.967 28.595 2.821 1.00 27.97 C ATOM 966 CG ARG A 125 -8.628 28.230 2.142 1.00 33.20 C ATOM 967 CD ARG A 125 -7.552 29.273 2.148 1.00 35.59 C ATOM 968 NE ARG A 125 -6.334 28.689 1.629 1.00 38.90 N ATOM 969 CZ ARG A 125 -5.323 28.039 2.165 1.00 40.29 C ATOM 970 NH1 ARG A 125 -5.112 27.790 3.459 1.00 41.21 N ATOM 971 NH2 ARG A 125 -4.429 27.494 1.299 1.00 40.95 N ATOM 972 N GLY A 126 -11.675 25.935 1.757 1.00 22.84 N ATOM 973 CA GLY A 126 -11.847 24.888 0.774 1.00 23.51 C ATOM 974 C GLY A 126 -12.033 23.489 1.289 1.00 24.22 C ATOM 975 O GLY A 126 -12.214 22.555 0.452 1.00 25.89 O ATOM 976 N CYS A 127 -11.972 23.285 2.600 1.00 23.42 N ATOM 977 CA CYS A 127 -12.103 21.903 3.119 1.00 22.63 C ATOM 978 C CYS A 127 -13.560 21.463 3.247 1.00 23.87 C ATOM 979 O CYS A 127 -14.438 22.293 3.563 1.00 24.03 O ATOM 980 CB CYS A 127 -11.386 21.711 4.463 1.00 20.39 C ATOM 981 SG CYS A 127 -9.682 22.269 4.453 1.00 19.27 S ATOM 982 N ARG A 128 -13.761 20.166 3.060 1.00 25.23 N ATOM 983 CA ARG A 128 -15.132 19.626 3.228 1.00 28.30 C ATOM 984 C ARG A 128 -15.202 19.178 4.690 1.00 29.76 C ATOM 985 O ARG A 128 -14.592 18.144 5.003 1.00 31.25 O ATOM 986 CB ARG A 128 -15.417 18.503 2.263 1.00 29.51 C ATOM 987 CG ARG A 128 -16.822 17.952 2.265 1.00 33.24 C ATOM 988 CD ARG A 128 -17.152 17.334 0.931 1.00 36.87 C ATOM 989 NE ARG A 128 -16.111 16.490 0.435 1.00 40.00 N ATOM 990 CZ ARG A 128 -15.438 16.386 -0.696 1.00 41.66 C ATOM 991 NH1 ARG A 128 -15.515 17.119 -1.797 1.00 42.46 N ATOM 992 NH2 ARG A 128 -14.564 15.349 -0.756 1.00 43.43 N ATOM 993 N LEU A 129 -15.888 19.946 5.497 1.00 31.71 N ATOM 994 CA LEU A 129 -16.044 19.706 6.950 1.00 34.13 C ATOM 995 C LEU A 129 -17.475 19.609 7.482 1.00 35.37 C ATOM 996 O LEU A 129 -18.407 20.226 6.870 1.00 37.15 O ATOM 997 CB LEU A 129 -15.245 20.856 7.646 1.00 33.47 C ATOM 998 CG LEU A 129 -13.727 20.855 7.521 1.00 33.62 C ATOM 999 CD1 LEU A 129 -13.139 22.215 7.926 1.00 33.14 C ATOM 1000 CD2 LEU A 129 -13.122 19.734 8.366 1.00 32.34 C ATOM 1001 OXT LEU A 129 -17.698 18.972 8.542 1.00 36.20 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -14.015 24.812 5.093 1.00 29.55 O HETATM 1004 O HOH A 131 0.730 36.273 15.019 1.00 20.01 O HETATM 1005 O HOH A 132 -0.293 12.087 16.778 1.00 23.80 O HETATM 1006 O HOH A 133 1.435 13.890 16.892 1.00 25.67 O HETATM 1007 O HOH A 134 -1.135 11.076 19.013 1.00 15.89 O HETATM 1008 O HOH A 135 15.037 25.748 23.618 1.00 31.94 O HETATM 1009 O HOH A 136 9.773 12.999 30.902 1.00 15.44 O HETATM 1010 O HOH A 137 7.838 14.493 31.781 1.00 12.50 O HETATM 1011 O HOH A 138 11.674 11.914 32.868 1.00 14.61 O HETATM 1012 O HOH A 139 -9.845 33.549 4.905 1.00 41.29 O HETATM 1013 O HOH A 140 2.840 10.531 5.573 1.00 26.25 O HETATM 1014 O HOH A 141 8.012 28.111 8.222 1.00 17.52 O HETATM 1015 O HOH A 142 5.809 11.064 9.465 1.00 13.86 O HETATM 1016 O HOH A 143 3.609 7.332 10.552 1.00 24.30 O HETATM 1017 O HOH A 144 -11.239 29.078 11.845 1.00 12.34 O HETATM 1018 O HOH A 145 7.832 28.744 14.208 1.00 17.80 O HETATM 1019 O HOH A 146 -14.831 20.068 16.755 1.00 21.40 O HETATM 1020 O HOH A 147 7.838 31.350 16.712 1.00 7.05 O HETATM 1021 O HOH A 148 -3.236 8.422 19.652 1.00 20.53 O HETATM 1022 O HOH A 149 -8.417 15.819 27.560 1.00 25.96 O HETATM 1023 O HOH A 150 -2.347 27.396 28.581 1.00 24.26 O HETATM 1024 O HOH A 151 -6.541 28.605 29.485 1.00 21.78 O HETATM 1025 O HOH A 152 -5.419 19.556 2.117 1.00 23.93 O HETATM 1026 O HOH A 153 -5.854 17.048 2.746 1.00 19.83 O HETATM 1027 O HOH A 154 0.828 18.518 4.346 1.00 27.38 O HETATM 1028 O HOH A 155 6.075 10.382 6.715 1.00 20.72 O HETATM 1029 O HOH A 156 -2.630 32.416 9.470 1.00 22.10 O HETATM 1030 O HOH A 157 8.462 17.984 10.705 1.00 21.81 O HETATM 1031 O HOH A 158 9.240 20.809 14.224 1.00 37.02 O HETATM 1032 O HOH A 159 11.676 13.450 14.942 1.00 15.12 O HETATM 1033 O HOH A 160 -9.500 33.289 15.807 1.00 25.52 O HETATM 1034 O HOH A 161 16.225 18.639 18.120 1.00 26.87 O HETATM 1035 O HOH A 162 1.711 16.603 19.729 1.00 13.47 O HETATM 1036 O HOH A 163 -0.868 7.012 20.610 1.00 29.99 O HETATM 1037 O HOH A 164 0.267 38.334 21.907 1.00 31.91 O HETATM 1038 O HOH A 165 18.935 10.158 25.257 1.00 25.10 O HETATM 1039 O HOH A 166 13.931 15.091 26.670 1.00 12.63 O HETATM 1040 O HOH A 167 7.836 12.636 33.353 1.00 26.55 O HETATM 1041 O HOH A 168 -11.537 18.599 1.669 1.00 34.20 O HETATM 1042 O HOH A 169 -1.670 20.517 2.977 1.00 38.98 O HETATM 1043 O HOH A 170 -1.356 11.918 4.641 1.00 41.38 O HETATM 1044 O HOH A 171 -8.859 13.142 8.216 1.00 39.77 O HETATM 1045 O HOH A 172 -6.842 10.838 7.915 1.00 42.35 O HETATM 1046 O HOH A 173 5.882 24.895 8.494 1.00 38.15 O HETATM 1047 O HOH A 174 1.598 33.650 9.638 1.00 22.55 O HETATM 1048 O HOH A 175 4.439 33.066 9.722 1.00 17.29 O HETATM 1049 O HOH A 176 -13.991 27.303 11.698 1.00 41.34 O HETATM 1050 O HOH A 177 4.129 7.614 13.465 1.00 27.49 O HETATM 1051 O HOH A 178 -7.117 35.607 14.805 1.00 32.92 O HETATM 1052 O HOH A 179 7.674 26.292 15.245 1.00 33.74 O HETATM 1053 O HOH A 180 -15.714 9.589 15.558 1.00 45.90 O HETATM 1054 O HOH A 181 -6.227 33.980 16.670 1.00 26.58 O HETATM 1055 O HOH A 182 -3.613 39.418 18.216 1.00 36.27 O HETATM 1056 O HOH A 183 9.184 22.657 18.911 1.00 26.06 O HETATM 1057 O HOH A 184 7.624 24.977 19.478 1.00 21.28 O HETATM 1058 O HOH A 185 -14.752 32.184 20.667 1.00 37.62 O HETATM 1059 O HOH A 186 5.015 23.536 22.437 1.00 43.29 O HETATM 1060 O HOH A 187 5.690 26.301 22.610 1.00 23.06 O HETATM 1061 O HOH A 188 3.273 23.870 24.124 1.00 38.83 O HETATM 1062 O HOH A 189 8.981 24.051 23.799 1.00 45.68 O HETATM 1063 O HOH A 190 -14.888 24.126 25.158 1.00 26.52 O HETATM 1064 O HOH A 191 3.860 21.673 25.346 1.00 23.00 O HETATM 1065 O HOH A 192 -3.176 12.252 25.970 1.00 32.70 O HETATM 1066 O HOH A 193 -4.191 13.348 28.333 1.00 33.16 O HETATM 1067 O HOH A 194 10.696 23.157 28.990 1.00 32.22 O HETATM 1068 O HOH A 195 12.566 25.165 31.334 1.00 33.40 O HETATM 1069 O HOH A 196 -4.542 21.723 32.482 1.00 41.48 O HETATM 1070 O HOH A 197 5.293 9.444 34.737 1.00 39.73 O HETATM 1071 O HOH A 198 6.693 11.557 35.420 1.00 33.18 O HETATM 1072 O HOH A 199 -11.708 17.969 5.071 1.00 39.10 O HETATM 1073 O HOH A 200 3.466 19.634 5.227 1.00 32.15 O HETATM 1074 O HOH A 201 -3.506 37.134 8.058 1.00 44.29 O HETATM 1075 O HOH A 202 8.566 17.705 8.273 1.00 45.36 O HETATM 1076 O HOH A 203 -4.083 8.992 10.745 1.00 39.25 O HETATM 1077 O HOH A 204 -6.737 10.506 13.738 1.00 42.79 O HETATM 1078 O HOH A 205 -0.802 39.396 18.524 1.00 42.27 O HETATM 1079 O HOH A 206 1.612 37.822 18.803 1.00 39.69 O HETATM 1080 O HOH A 207 -4.882 9.566 25.226 1.00 42.85 O HETATM 1081 O HOH A 208 14.342 25.109 27.072 1.00 30.00 O HETATM 1082 O HOH A 209 7.336 6.320 29.783 1.00 39.58 O HETATM 1083 O HOH A 210 -1.798 18.893 1.121 1.00 49.45 O HETATM 1084 O HOH A 211 -3.459 23.090 0.668 1.00 40.95 O HETATM 1085 O HOH A 212 -3.108 7.548 6.931 1.00 42.10 O HETATM 1086 O HOH A 213 5.794 17.488 6.716 1.00 41.92 O HETATM 1087 O HOH A 214 -0.026 32.582 7.825 1.00 36.96 O HETATM 1088 O HOH A 215 -14.744 15.373 10.940 1.00 33.34 O HETATM 1089 O HOH A 216 -9.312 10.556 12.330 1.00 38.26 O HETATM 1090 O HOH A 217 1.305 5.089 14.495 1.00 37.10 O HETATM 1091 O HOH A 218 8.485 23.797 15.290 1.00 36.45 O HETATM 1092 O HOH A 219 4.363 6.184 18.366 1.00 40.92 O HETATM 1093 O HOH A 220 -7.565 5.699 18.573 1.00 41.29 O HETATM 1094 O HOH A 221 4.918 37.814 18.992 1.00 42.55 O HETATM 1095 O HOH A 222 -11.479 11.934 20.914 1.00 44.42 O HETATM 1096 O HOH A 223 5.230 35.896 21.890 1.00 37.46 O HETATM 1097 O HOH A 224 -13.824 17.162 25.410 1.00 46.65 O HETATM 1098 O HOH A 225 6.810 24.481 25.879 1.00 41.06 O HETATM 1099 O HOH A 226 4.351 26.210 26.626 1.00 40.47 O HETATM 1100 O HOH A 227 1.660 32.119 28.165 1.00 47.78 O HETATM 1101 O HOH A 228 17.512 15.474 29.756 1.00 45.82 O HETATM 1102 O HOH A 229 0.141 26.873 30.344 1.00 44.61 O HETATM 1103 O HOH A 230 14.913 7.593 33.639 1.00 40.60 O HETATM 1104 O HOH A 231 -3.454 15.202 35.455 1.00 43.66 O HETATM 1105 O HOH A 232 4.494 10.257 36.960 1.00 47.00 O HETATM 1106 O HOH A 233 5.730 12.817 37.754 1.00 49.81 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 263 0 0 4 5 10 0 6 1105 1 8 10 END