HEADER HYDROLASE (O-GLYCOSYL) 10-FEB-95 1LZD 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 1LZD 1 VERSN REVDAT 1 08-MAY-95 1LZD 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. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 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) : 0.167 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 999 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 79 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) : 0.013 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.036 ; 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) : 0.011 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.140 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.167 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.187 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.212 ; 0.300 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.100 ; 3.000 REMARK 3 STAGGERED (DEGREES) : 15.900; 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) : 1.019 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.595 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.850 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.891 ; 2.500 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LZD 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 : 8615 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 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 (%): 40.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 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 19.05000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.53000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.53000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.57500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.53000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.53000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.52500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.53000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.53000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.57500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.53000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.53000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.52500 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 19.05000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 204 O HOH A 269 3554 2.03 REMARK 500 N GLY A 16 NH1 ARG A 128 8555 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ASP A 18 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = 4.4 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 9.2 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 68 26.57 -142.08 REMARK 500 REMARK 500 REMARK: NULL DBREF 1LZD A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQADV 1LZD TYR A 62 UNP P00698 TRP 80 CONFLICT 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 TYR 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 *79(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 2.00 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.04 CRYST1 79.060 79.060 38.100 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 0.012649 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012649 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026247 0.00000 ATOM 1 N LYS A 1 3.288 10.040 10.378 1.00 16.71 N ATOM 2 CA LYS A 1 2.416 10.424 9.243 1.00 14.85 C ATOM 3 C LYS A 1 2.383 11.929 9.025 1.00 14.62 C ATOM 4 O LYS A 1 2.319 12.710 9.992 1.00 14.69 O ATOM 5 CB LYS A 1 0.993 9.926 9.535 1.00 15.06 C ATOM 6 CG LYS A 1 -0.043 10.496 8.612 1.00 15.63 C ATOM 7 CD LYS A 1 -1.444 9.985 8.890 1.00 18.08 C ATOM 8 CE LYS A 1 -2.435 10.710 7.955 1.00 18.75 C ATOM 9 NZ LYS A 1 -3.738 9.941 7.997 1.00 20.63 N ATOM 10 N VAL A 2 2.448 12.334 7.770 1.00 13.99 N ATOM 11 CA VAL A 2 2.388 13.755 7.416 1.00 14.39 C ATOM 12 C VAL A 2 0.939 13.992 6.969 1.00 15.72 C ATOM 13 O VAL A 2 0.415 13.396 5.989 1.00 17.50 O ATOM 14 CB VAL A 2 3.476 14.190 6.443 1.00 13.19 C ATOM 15 CG1 VAL A 2 3.349 15.660 6.048 1.00 13.86 C ATOM 16 CG2 VAL A 2 4.902 13.930 6.914 1.00 11.81 C ATOM 17 N PHE A 3 0.222 14.820 7.701 1.00 14.87 N ATOM 18 CA PHE A 3 -1.175 15.102 7.349 1.00 15.54 C ATOM 19 C PHE A 3 -1.283 16.159 6.245 1.00 15.79 C ATOM 20 O PHE A 3 -0.416 17.020 6.025 1.00 17.11 O ATOM 21 CB PHE A 3 -1.974 15.645 8.561 1.00 15.01 C ATOM 22 CG PHE A 3 -2.572 14.567 9.415 1.00 15.24 C ATOM 23 CD1 PHE A 3 -1.759 13.889 10.342 1.00 15.31 C ATOM 24 CD2 PHE A 3 -3.913 14.229 9.267 1.00 15.32 C ATOM 25 CE1 PHE A 3 -2.331 12.878 11.132 1.00 16.23 C ATOM 26 CE2 PHE A 3 -4.494 13.223 10.038 1.00 16.50 C ATOM 27 CZ PHE A 3 -3.702 12.548 10.988 1.00 17.20 C ATOM 28 N GLY A 4 -2.428 16.094 5.593 1.00 16.08 N ATOM 29 CA GLY A 4 -2.805 17.083 4.571 1.00 15.40 C ATOM 30 C GLY A 4 -3.560 18.141 5.412 1.00 15.51 C ATOM 31 O GLY A 4 -4.056 17.803 6.500 1.00 15.56 O ATOM 32 N ARG A 5 -3.615 19.358 4.937 1.00 15.64 N ATOM 33 CA ARG A 5 -4.289 20.437 5.662 1.00 16.15 C ATOM 34 C ARG A 5 -5.715 20.096 6.018 1.00 16.11 C ATOM 35 O ARG A 5 -6.095 20.163 7.216 1.00 16.54 O ATOM 36 CB ARG A 5 -4.123 21.748 4.916 1.00 17.18 C ATOM 37 CG ARG A 5 -4.918 22.914 5.454 1.00 17.15 C ATOM 38 CD ARG A 5 -4.673 24.100 4.583 1.00 20.76 C ATOM 39 NE ARG A 5 -5.258 23.944 3.266 1.00 22.42 N ATOM 40 CZ ARG A 5 -6.494 24.381 2.989 1.00 23.43 C ATOM 41 NH1 ARG A 5 -7.267 25.002 3.881 1.00 24.52 N ATOM 42 NH2 ARG A 5 -6.967 24.124 1.772 1.00 24.31 N ATOM 43 N CYS A 6 -6.523 19.736 5.030 1.00 15.85 N ATOM 44 CA CYS A 6 -7.939 19.406 5.236 1.00 14.55 C ATOM 45 C CYS A 6 -8.132 18.099 5.956 1.00 13.55 C ATOM 46 O CYS A 6 -9.147 17.956 6.672 1.00 13.54 O ATOM 47 CB CYS A 6 -8.773 19.455 3.956 1.00 15.52 C ATOM 48 SG CYS A 6 -8.795 21.081 3.187 1.00 19.55 S ATOM 49 N GLU A 7 -7.235 17.147 5.767 1.00 13.45 N ATOM 50 CA GLU A 7 -7.359 15.835 6.443 1.00 13.56 C ATOM 51 C GLU A 7 -7.278 15.972 7.961 1.00 13.35 C ATOM 52 O GLU A 7 -8.046 15.370 8.739 1.00 13.37 O ATOM 53 CB GLU A 7 -6.215 14.934 6.029 1.00 14.39 C ATOM 54 CG GLU A 7 -6.228 13.487 6.566 1.00 17.06 C ATOM 55 CD GLU A 7 -4.973 12.808 6.036 1.00 18.04 C ATOM 56 OE1 GLU A 7 -4.106 13.526 5.556 1.00 18.53 O ATOM 57 OE2 GLU A 7 -5.028 11.576 6.208 1.00 20.12 O ATOM 58 N LEU A 8 -6.329 16.794 8.369 1.00 12.61 N ATOM 59 CA LEU A 8 -6.060 17.131 9.746 1.00 12.82 C ATOM 60 C LEU A 8 -7.205 17.969 10.313 1.00 12.95 C ATOM 61 O LEU A 8 -7.657 17.795 11.454 1.00 15.01 O ATOM 62 CB LEU A 8 -4.678 17.826 9.841 1.00 12.69 C ATOM 63 CG LEU A 8 -4.418 18.336 11.278 1.00 14.01 C ATOM 64 CD1 LEU A 8 -4.285 17.134 12.225 1.00 13.27 C ATOM 65 CD2 LEU A 8 -3.203 19.243 11.279 1.00 14.49 C ATOM 66 N ALA A 9 -7.691 18.922 9.556 1.00 13.59 N ATOM 67 CA ALA A 9 -8.799 19.776 9.938 1.00 13.50 C ATOM 68 C ALA A 9 -9.975 18.874 10.318 1.00 14.16 C ATOM 69 O ALA A 9 -10.614 19.102 11.365 1.00 15.67 O ATOM 70 CB ALA A 9 -9.172 20.794 8.870 1.00 13.20 C ATOM 71 N ALA A 10 -10.275 17.884 9.543 1.00 13.90 N ATOM 72 CA ALA A 10 -11.366 16.950 9.752 1.00 14.47 C ATOM 73 C ALA A 10 -11.066 16.026 10.907 1.00 15.16 C ATOM 74 O ALA A 10 -11.985 15.593 11.633 1.00 16.96 O ATOM 75 CB ALA A 10 -11.579 16.154 8.445 1.00 14.32 C ATOM 76 N ALA A 11 -9.805 15.674 11.090 1.00 15.80 N ATOM 77 CA ALA A 11 -9.454 14.754 12.213 1.00 15.89 C ATOM 78 C ALA A 11 -9.626 15.512 13.528 1.00 15.87 C ATOM 79 O ALA A 11 -10.092 14.991 14.552 1.00 16.38 O ATOM 80 CB ALA A 11 -8.049 14.221 12.026 1.00 14.32 C ATOM 81 N MET A 12 -9.201 16.767 13.480 1.00 15.90 N ATOM 82 CA MET A 12 -9.284 17.662 14.647 1.00 16.89 C ATOM 83 C MET A 12 -10.725 17.908 15.085 1.00 17.72 C ATOM 84 O MET A 12 -11.118 17.773 16.278 1.00 17.45 O ATOM 85 CB MET A 12 -8.500 18.934 14.347 1.00 14.77 C ATOM 86 CG MET A 12 -7.032 18.693 14.641 1.00 14.91 C ATOM 87 SD MET A 12 -6.172 20.297 14.383 1.00 15.68 S ATOM 88 CE MET A 12 -4.569 19.918 15.145 1.00 12.30 C ATOM 89 N LYS A 13 -11.553 18.270 14.128 1.00 18.00 N ATOM 90 CA LYS A 13 -12.972 18.549 14.381 1.00 19.63 C ATOM 91 C LYS A 13 -13.639 17.324 15.000 1.00 20.42 C ATOM 92 O LYS A 13 -14.353 17.350 16.025 1.00 19.07 O ATOM 93 CB LYS A 13 -13.656 18.939 13.083 1.00 20.44 C ATOM 94 CG LYS A 13 -15.150 19.160 13.249 1.00 21.71 C ATOM 95 CD LYS A 13 -15.853 19.468 11.937 1.00 23.68 C ATOM 96 CE LYS A 13 -17.318 19.779 12.234 1.00 25.29 C ATOM 97 NZ LYS A 13 -17.838 20.715 11.192 1.00 25.61 N ATOM 98 N ARG A 14 -13.353 16.206 14.339 1.00 21.20 N ATOM 99 CA ARG A 14 -13.915 14.922 14.756 1.00 22.67 C ATOM 100 C ARG A 14 -13.595 14.621 16.221 1.00 23.16 C ATOM 101 O ARG A 14 -14.383 13.952 16.907 1.00 22.08 O ATOM 102 CB ARG A 14 -13.487 13.748 13.860 1.00 24.64 C ATOM 103 CG ARG A 14 -14.025 12.462 14.480 1.00 28.05 C ATOM 104 CD ARG A 14 -14.139 11.278 13.596 1.00 31.33 C ATOM 105 NE ARG A 14 -13.682 10.123 14.421 1.00 33.95 N ATOM 106 CZ ARG A 14 -12.356 9.890 14.434 1.00 34.68 C ATOM 107 NH1 ARG A 14 -11.493 10.569 13.676 1.00 36.01 N ATOM 108 NH2 ARG A 14 -11.936 8.991 15.316 1.00 35.70 N ATOM 109 N HIS A 15 -12.442 15.105 16.656 1.00 23.33 N ATOM 110 CA HIS A 15 -11.985 14.895 18.035 1.00 22.28 C ATOM 111 C HIS A 15 -12.410 15.987 19.001 1.00 22.09 C ATOM 112 O HIS A 15 -11.909 15.996 20.156 1.00 23.06 O ATOM 113 CB HIS A 15 -10.478 14.646 18.132 1.00 23.59 C ATOM 114 CG HIS A 15 -10.071 13.263 17.744 1.00 24.01 C ATOM 115 ND1 HIS A 15 -9.769 12.896 16.456 1.00 25.61 N ATOM 116 CD2 HIS A 15 -9.883 12.154 18.495 1.00 24.70 C ATOM 117 CE1 HIS A 15 -9.427 11.620 16.412 1.00 24.41 C ATOM 118 NE2 HIS A 15 -9.485 11.157 17.636 1.00 26.57 N ATOM 119 N GLY A 16 -13.326 16.867 18.638 1.00 21.24 N ATOM 120 CA GLY A 16 -13.804 17.907 19.541 1.00 20.21 C ATOM 121 C GLY A 16 -12.968 19.158 19.671 1.00 19.82 C ATOM 122 O GLY A 16 -13.183 19.909 20.667 1.00 19.68 O ATOM 123 N LEU A 17 -12.075 19.489 18.740 1.00 18.92 N ATOM 124 CA LEU A 17 -11.290 20.725 18.847 1.00 18.42 C ATOM 125 C LEU A 17 -11.916 21.995 18.304 1.00 19.34 C ATOM 126 O LEU A 17 -11.475 23.087 18.794 1.00 20.73 O ATOM 127 CB LEU A 17 -9.893 20.467 18.305 1.00 16.75 C ATOM 128 CG LEU A 17 -8.906 19.644 19.091 1.00 16.38 C ATOM 129 CD1 LEU A 17 -7.503 19.797 18.509 1.00 13.91 C ATOM 130 CD2 LEU A 17 -8.881 20.131 20.543 1.00 17.23 C ATOM 131 N ASP A 18 -12.820 22.020 17.365 1.00 19.45 N ATOM 132 CA ASP A 18 -13.422 23.246 16.808 1.00 20.66 C ATOM 133 C ASP A 18 -14.120 23.988 17.957 1.00 20.88 C ATOM 134 O ASP A 18 -15.019 23.406 18.580 1.00 21.10 O ATOM 135 CB ASP A 18 -14.347 23.018 15.638 1.00 23.67 C ATOM 136 CG ASP A 18 -14.810 24.289 14.920 1.00 25.13 C ATOM 137 OD1 ASP A 18 -14.218 25.387 14.943 1.00 24.37 O ATOM 138 OD2 ASP A 18 -15.891 24.109 14.261 1.00 26.08 O ATOM 139 N ASN A 19 -13.654 25.189 18.183 1.00 20.53 N ATOM 140 CA ASN A 19 -14.126 26.061 19.259 1.00 20.77 C ATOM 141 C ASN A 19 -13.840 25.448 20.622 1.00 19.12 C ATOM 142 O ASN A 19 -14.493 25.839 21.607 1.00 18.25 O ATOM 143 CB ASN A 19 -15.567 26.481 19.061 1.00 26.75 C ATOM 144 CG ASN A 19 -15.919 26.919 17.651 1.00 30.14 C ATOM 145 OD1 ASN A 19 -16.866 26.403 17.008 1.00 32.57 O ATOM 146 ND2 ASN A 19 -15.189 27.901 17.127 1.00 32.46 N ATOM 147 N TYR A 20 -12.890 24.519 20.754 1.00 17.67 N ATOM 148 CA TYR A 20 -12.611 24.005 22.123 1.00 17.12 C ATOM 149 C TYR A 20 -11.990 25.183 22.903 1.00 18.20 C ATOM 150 O TYR A 20 -10.995 25.825 22.469 1.00 17.09 O ATOM 151 CB TYR A 20 -11.784 22.728 22.133 1.00 16.37 C ATOM 152 CG TYR A 20 -11.584 22.172 23.536 1.00 16.01 C ATOM 153 CD1 TYR A 20 -10.550 22.674 24.332 1.00 16.58 C ATOM 154 CD2 TYR A 20 -12.427 21.201 24.079 1.00 16.67 C ATOM 155 CE1 TYR A 20 -10.332 22.209 25.609 1.00 16.45 C ATOM 156 CE2 TYR A 20 -12.221 20.708 25.369 1.00 17.20 C ATOM 157 CZ TYR A 20 -11.177 21.230 26.130 1.00 18.35 C ATOM 158 OH TYR A 20 -10.939 20.844 27.426 1.00 17.70 O ATOM 159 N ARG A 21 -12.635 25.502 24.043 1.00 18.05 N ATOM 160 CA ARG A 21 -12.177 26.621 24.880 1.00 17.83 C ATOM 161 C ARG A 21 -12.171 27.909 24.105 1.00 16.37 C ATOM 162 O ARG A 21 -11.326 28.783 24.311 1.00 17.74 O ATOM 163 CB ARG A 21 -10.798 26.447 25.499 1.00 20.60 C ATOM 164 CG ARG A 21 -10.787 25.486 26.682 1.00 24.69 C ATOM 165 CD ARG A 21 -11.516 26.067 27.854 1.00 28.63 C ATOM 166 NE ARG A 21 -11.441 25.277 29.049 1.00 31.87 N ATOM 167 CZ ARG A 21 -11.732 24.003 29.297 1.00 33.65 C ATOM 168 NH1 ARG A 21 -12.230 23.122 28.436 1.00 32.80 N ATOM 169 NH2 ARG A 21 -11.499 23.554 30.553 1.00 35.85 N ATOM 170 N GLY A 22 -13.105 28.026 23.195 1.00 16.24 N ATOM 171 CA GLY A 22 -13.253 29.235 22.374 1.00 14.95 C ATOM 172 C GLY A 22 -12.275 29.368 21.225 1.00 14.54 C ATOM 173 O GLY A 22 -12.282 30.454 20.607 1.00 14.68 O ATOM 174 N TYR A 23 -11.516 28.341 20.906 1.00 13.24 N ATOM 175 CA TYR A 23 -10.559 28.428 19.781 1.00 12.91 C ATOM 176 C TYR A 23 -11.095 27.683 18.561 1.00 12.73 C ATOM 177 O TYR A 23 -11.197 26.457 18.568 1.00 13.97 O ATOM 178 CB TYR A 23 -9.171 27.845 20.158 1.00 10.10 C ATOM 179 CG TYR A 23 -8.462 28.711 21.198 1.00 8.76 C ATOM 180 CD1 TYR A 23 -8.664 28.517 22.577 1.00 8.89 C ATOM 181 CD2 TYR A 23 -7.602 29.719 20.779 1.00 8.24 C ATOM 182 CE1 TYR A 23 -8.000 29.314 23.493 1.00 7.87 C ATOM 183 CE2 TYR A 23 -6.969 30.556 21.682 1.00 8.82 C ATOM 184 CZ TYR A 23 -7.159 30.333 23.052 1.00 8.58 C ATOM 185 OH TYR A 23 -6.504 31.131 23.989 1.00 10.44 O ATOM 186 N SER A 24 -11.395 28.448 17.540 1.00 13.79 N ATOM 187 CA SER A 24 -11.901 27.925 16.245 1.00 12.81 C ATOM 188 C SER A 24 -10.832 26.993 15.654 1.00 12.81 C ATOM 189 O SER A 24 -9.641 27.024 16.002 1.00 11.81 O ATOM 190 CB SER A 24 -12.237 29.106 15.380 1.00 13.02 C ATOM 191 OG SER A 24 -11.028 29.763 14.978 1.00 15.15 O ATOM 192 N LEU A 25 -11.303 26.094 14.799 1.00 12.37 N ATOM 193 CA LEU A 25 -10.485 25.070 14.140 1.00 12.71 C ATOM 194 C LEU A 25 -9.296 25.661 13.397 1.00 12.32 C ATOM 195 O LEU A 25 -8.265 24.956 13.400 1.00 11.56 O ATOM 196 CB LEU A 25 -11.381 24.203 13.242 1.00 14.80 C ATOM 197 CG LEU A 25 -10.888 22.850 12.758 1.00 15.18 C ATOM 198 CD1 LEU A 25 -10.726 21.868 13.925 1.00 15.33 C ATOM 199 CD2 LEU A 25 -11.959 22.310 11.819 1.00 16.02 C ATOM 200 N GLY A 26 -9.466 26.813 12.792 1.00 11.82 N ATOM 201 CA GLY A 26 -8.378 27.470 12.057 1.00 11.58 C ATOM 202 C GLY A 26 -7.159 27.645 12.940 1.00 12.72 C ATOM 203 O GLY A 26 -6.008 27.428 12.450 1.00 14.22 O ATOM 204 N ASN A 27 -7.360 28.040 14.188 1.00 10.75 N ATOM 205 CA ASN A 27 -6.249 28.214 15.152 1.00 10.31 C ATOM 206 C ASN A 27 -5.479 26.900 15.378 1.00 10.15 C ATOM 207 O ASN A 27 -4.271 26.949 15.428 1.00 10.40 O ATOM 208 CB ASN A 27 -6.815 28.702 16.480 1.00 9.54 C ATOM 209 CG ASN A 27 -7.301 30.108 16.479 1.00 7.92 C ATOM 210 OD1 ASN A 27 -6.448 30.999 16.552 1.00 10.12 O ATOM 211 ND2 ASN A 27 -8.609 30.320 16.357 1.00 9.32 N ATOM 212 N TRP A 28 -6.180 25.773 15.522 1.00 10.56 N ATOM 213 CA TRP A 28 -5.571 24.453 15.759 1.00 10.25 C ATOM 214 C TRP A 28 -4.749 23.971 14.584 1.00 10.29 C ATOM 215 O TRP A 28 -3.665 23.434 14.797 1.00 8.99 O ATOM 216 CB TRP A 28 -6.616 23.397 16.196 1.00 11.71 C ATOM 217 CG TRP A 28 -7.218 23.776 17.514 1.00 12.41 C ATOM 218 CD1 TRP A 28 -8.435 24.353 17.699 1.00 12.92 C ATOM 219 CD2 TRP A 28 -6.616 23.643 18.811 1.00 13.29 C ATOM 220 NE1 TRP A 28 -8.620 24.589 19.036 1.00 12.62 N ATOM 221 CE2 TRP A 28 -7.548 24.148 19.739 1.00 13.53 C ATOM 222 CE3 TRP A 28 -5.399 23.123 19.263 1.00 13.64 C ATOM 223 CZ2 TRP A 28 -7.290 24.192 21.113 1.00 14.36 C ATOM 224 CZ3 TRP A 28 -5.136 23.159 20.617 1.00 14.23 C ATOM 225 CH2 TRP A 28 -6.058 23.668 21.529 1.00 14.37 C ATOM 226 N VAL A 29 -5.250 24.131 13.380 1.00 10.39 N ATOM 227 CA VAL A 29 -4.537 23.726 12.151 1.00 9.66 C ATOM 228 C VAL A 29 -3.355 24.673 11.974 1.00 9.04 C ATOM 229 O VAL A 29 -2.297 24.160 11.618 1.00 10.20 O ATOM 230 CB VAL A 29 -5.506 23.749 10.927 1.00 10.71 C ATOM 231 CG1 VAL A 29 -4.828 23.459 9.597 1.00 8.83 C ATOM 232 CG2 VAL A 29 -6.683 22.804 11.165 1.00 9.61 C ATOM 233 N CYS A 30 -3.492 25.951 12.198 1.00 8.18 N ATOM 234 CA CYS A 30 -2.391 26.905 12.044 1.00 7.69 C ATOM 235 C CYS A 30 -1.269 26.502 13.009 1.00 7.88 C ATOM 236 O CYS A 30 -0.079 26.495 12.666 1.00 7.01 O ATOM 237 CB CYS A 30 -2.857 28.327 12.312 1.00 6.08 C ATOM 238 SG CYS A 30 -1.591 29.601 12.098 1.00 9.50 S ATOM 239 N ALA A 31 -1.684 26.146 14.225 1.00 8.94 N ATOM 240 CA ALA A 31 -0.694 25.779 15.261 1.00 10.33 C ATOM 241 C ALA A 31 0.081 24.539 14.832 1.00 10.16 C ATOM 242 O ALA A 31 1.317 24.540 14.964 1.00 11.66 O ATOM 243 CB ALA A 31 -1.379 25.541 16.613 1.00 11.27 C ATOM 244 N ALA A 32 -0.623 23.525 14.351 1.00 8.87 N ATOM 245 CA ALA A 32 0.017 22.301 13.895 1.00 8.80 C ATOM 246 C ALA A 32 0.914 22.617 12.706 1.00 9.28 C ATOM 247 O ALA A 32 2.035 22.050 12.676 1.00 10.18 O ATOM 248 CB ALA A 32 -0.993 21.180 13.622 1.00 9.33 C ATOM 249 N LYS A 33 0.500 23.416 11.763 1.00 7.42 N ATOM 250 CA LYS A 33 1.348 23.764 10.626 1.00 8.92 C ATOM 251 C LYS A 33 2.694 24.302 11.078 1.00 9.79 C ATOM 252 O LYS A 33 3.752 23.791 10.695 1.00 11.82 O ATOM 253 CB LYS A 33 0.713 24.895 9.800 1.00 9.59 C ATOM 254 CG LYS A 33 1.653 25.511 8.745 1.00 12.00 C ATOM 255 CD LYS A 33 1.871 24.503 7.608 1.00 13.04 C ATOM 256 CE LYS A 33 3.005 24.943 6.737 1.00 16.96 C ATOM 257 NZ LYS A 33 3.258 23.900 5.695 1.00 20.17 N ATOM 258 N PHE A 34 2.688 25.343 11.895 1.00 10.87 N ATOM 259 CA PHE A 34 3.946 25.952 12.362 1.00 10.83 C ATOM 260 C PHE A 34 4.709 25.160 13.420 1.00 10.82 C ATOM 261 O PHE A 34 5.923 25.392 13.531 1.00 9.67 O ATOM 262 CB PHE A 34 3.701 27.426 12.667 1.00 10.91 C ATOM 263 CG PHE A 34 3.248 28.151 11.427 1.00 11.92 C ATOM 264 CD1 PHE A 34 4.052 28.069 10.253 1.00 12.10 C ATOM 265 CD2 PHE A 34 2.058 28.856 11.408 1.00 11.46 C ATOM 266 CE1 PHE A 34 3.642 28.713 9.089 1.00 11.50 C ATOM 267 CE2 PHE A 34 1.641 29.500 10.238 1.00 12.48 C ATOM 268 CZ PHE A 34 2.445 29.447 9.092 1.00 12.27 C ATOM 269 N GLU A 35 4.054 24.280 14.168 1.00 10.05 N ATOM 270 CA GLU A 35 4.757 23.524 15.219 1.00 10.95 C ATOM 271 C GLU A 35 5.520 22.329 14.665 1.00 10.46 C ATOM 272 O GLU A 35 6.682 22.111 14.996 1.00 11.14 O ATOM 273 CB GLU A 35 3.825 23.067 16.332 1.00 9.10 C ATOM 274 CG GLU A 35 3.334 24.133 17.325 1.00 10.55 C ATOM 275 CD GLU A 35 4.459 24.750 18.135 1.00 13.21 C ATOM 276 OE1 GLU A 35 5.590 24.297 18.206 1.00 13.59 O ATOM 277 OE2 GLU A 35 4.133 25.784 18.764 1.00 14.64 O ATOM 278 N SER A 36 4.872 21.593 13.767 1.00 11.44 N ATOM 279 CA SER A 36 5.486 20.398 13.192 1.00 9.80 C ATOM 280 C SER A 36 5.326 20.203 11.702 1.00 10.14 C ATOM 281 O SER A 36 5.719 19.108 11.245 1.00 9.97 O ATOM 282 CB SER A 36 4.684 19.221 13.787 1.00 11.15 C ATOM 283 OG SER A 36 3.343 19.319 13.378 1.00 12.07 O ATOM 284 N ASN A 37 4.707 21.132 11.051 1.00 11.41 N ATOM 285 CA ASN A 37 4.475 21.043 9.583 1.00 13.48 C ATOM 286 C ASN A 37 3.607 19.823 9.307 1.00 13.12 C ATOM 287 O ASN A 37 3.817 19.084 8.340 1.00 13.39 O ATOM 288 CB ASN A 37 5.818 21.082 8.883 1.00 15.47 C ATOM 289 CG ASN A 37 5.663 21.426 7.429 1.00 17.97 C ATOM 290 OD1 ASN A 37 4.862 22.293 7.018 1.00 20.25 O ATOM 291 ND2 ASN A 37 6.404 20.680 6.632 1.00 20.36 N ATOM 292 N PHE A 38 2.659 19.578 10.187 1.00 12.75 N ATOM 293 CA PHE A 38 1.703 18.474 10.111 1.00 13.20 C ATOM 294 C PHE A 38 2.333 17.074 10.176 1.00 12.88 C ATOM 295 O PHE A 38 1.642 16.133 9.732 1.00 13.69 O ATOM 296 CB PHE A 38 0.796 18.562 8.882 1.00 11.84 C ATOM 297 CG PHE A 38 0.094 19.849 8.659 1.00 12.46 C ATOM 298 CD1 PHE A 38 -0.507 20.520 9.708 1.00 13.38 C ATOM 299 CD2 PHE A 38 -0.022 20.386 7.374 1.00 14.54 C ATOM 300 CE1 PHE A 38 -1.224 21.696 9.533 1.00 14.36 C ATOM 301 CE2 PHE A 38 -0.729 21.578 7.151 1.00 14.30 C ATOM 302 CZ PHE A 38 -1.333 22.237 8.241 1.00 15.41 C ATOM 303 N ASN A 39 3.501 16.957 10.721 1.00 12.78 N ATOM 304 CA ASN A 39 4.191 15.662 10.885 1.00 12.07 C ATOM 305 C ASN A 39 4.093 15.164 12.330 1.00 11.64 C ATOM 306 O ASN A 39 4.694 15.757 13.261 1.00 11.19 O ATOM 307 CB ASN A 39 5.636 15.820 10.458 1.00 13.54 C ATOM 308 CG ASN A 39 6.422 14.519 10.477 1.00 14.91 C ATOM 309 OD1 ASN A 39 5.942 13.417 10.790 1.00 16.10 O ATOM 310 ND2 ASN A 39 7.691 14.719 10.108 1.00 16.63 N ATOM 311 N THR A 40 3.381 14.083 12.515 1.00 10.28 N ATOM 312 CA THR A 40 3.183 13.474 13.838 1.00 12.53 C ATOM 313 C THR A 40 4.485 13.008 14.484 1.00 12.35 C ATOM 314 O THR A 40 4.569 12.925 15.714 1.00 13.04 O ATOM 315 CB THR A 40 2.136 12.281 13.738 1.00 12.36 C ATOM 316 OG1 THR A 40 2.771 11.188 12.991 1.00 13.21 O ATOM 317 CG2 THR A 40 0.812 12.699 13.078 1.00 13.01 C ATOM 318 N GLN A 41 5.493 12.691 13.681 1.00 12.57 N ATOM 319 CA GLN A 41 6.766 12.189 14.180 1.00 10.81 C ATOM 320 C GLN A 41 7.737 13.330 14.465 1.00 11.00 C ATOM 321 O GLN A 41 8.906 13.029 14.796 1.00 11.21 O ATOM 322 CB GLN A 41 7.396 11.168 13.233 1.00 12.83 C ATOM 323 CG GLN A 41 6.543 9.952 12.908 1.00 14.20 C ATOM 324 CD GLN A 41 7.378 8.830 12.309 1.00 16.12 C ATOM 325 OE1 GLN A 41 8.175 8.176 12.985 1.00 16.82 O ATOM 326 NE2 GLN A 41 7.233 8.577 11.023 1.00 14.40 N ATOM 327 N ALA A 42 7.348 14.580 14.399 1.00 10.18 N ATOM 328 CA ALA A 42 8.318 15.668 14.695 1.00 11.69 C ATOM 329 C ALA A 42 8.766 15.650 16.183 1.00 12.53 C ATOM 330 O ALA A 42 7.958 15.409 17.093 1.00 11.63 O ATOM 331 CB ALA A 42 7.645 17.011 14.395 1.00 9.94 C ATOM 332 N THR A 43 10.041 15.899 16.426 1.00 12.42 N ATOM 333 CA THR A 43 10.624 15.987 17.760 1.00 13.65 C ATOM 334 C THR A 43 11.655 17.104 17.704 1.00 14.28 C ATOM 335 O THR A 43 12.261 17.308 16.634 1.00 14.50 O ATOM 336 CB THR A 43 11.263 14.665 18.321 1.00 12.59 C ATOM 337 OG1 THR A 43 12.320 14.349 17.346 1.00 13.61 O ATOM 338 CG2 THR A 43 10.296 13.502 18.506 1.00 12.36 C ATOM 339 N ASN A 44 11.799 17.788 18.828 1.00 14.66 N ATOM 340 CA ASN A 44 12.760 18.910 18.959 1.00 15.15 C ATOM 341 C ASN A 44 13.186 18.967 20.418 1.00 14.99 C ATOM 342 O ASN A 44 12.323 18.950 21.297 1.00 15.50 O ATOM 343 CB ASN A 44 12.162 20.221 18.442 1.00 17.90 C ATOM 344 CG ASN A 44 11.968 20.153 16.908 1.00 21.70 C ATOM 345 OD1 ASN A 44 12.953 20.085 16.134 1.00 23.88 O ATOM 346 ND2 ASN A 44 10.712 20.122 16.440 1.00 21.95 N ATOM 347 N ARG A 45 14.462 19.039 20.628 1.00 16.89 N ATOM 348 CA ARG A 45 15.071 19.088 21.979 1.00 17.76 C ATOM 349 C ARG A 45 15.240 20.524 22.406 1.00 17.49 C ATOM 350 O ARG A 45 15.730 21.337 21.592 1.00 17.45 O ATOM 351 CB ARG A 45 16.433 18.376 22.062 1.00 19.86 C ATOM 352 CG ARG A 45 16.989 18.242 23.493 1.00 23.42 C ATOM 353 CD ARG A 45 17.082 16.829 23.946 1.00 27.54 C ATOM 354 NE ARG A 45 17.052 16.637 25.401 1.00 31.57 N ATOM 355 CZ ARG A 45 17.628 15.636 26.091 1.00 31.91 C ATOM 356 NH1 ARG A 45 18.377 14.752 25.424 1.00 33.45 N ATOM 357 NH2 ARG A 45 17.508 15.454 27.414 1.00 31.79 N ATOM 358 N ASN A 46 14.899 20.796 23.644 1.00 17.51 N ATOM 359 CA ASN A 46 15.059 22.172 24.180 1.00 19.40 C ATOM 360 C ASN A 46 16.349 22.293 24.974 1.00 19.31 C ATOM 361 O ASN A 46 16.959 21.286 25.345 1.00 20.26 O ATOM 362 CB ASN A 46 13.810 22.514 24.999 1.00 20.14 C ATOM 363 CG ASN A 46 12.526 22.389 24.206 1.00 20.23 C ATOM 364 OD1 ASN A 46 11.591 21.645 24.487 1.00 21.83 O ATOM 365 ND2 ASN A 46 12.474 23.198 23.160 1.00 21.96 N ATOM 366 N THR A 47 16.768 23.497 25.254 1.00 21.39 N ATOM 367 CA THR A 47 17.990 23.777 26.044 1.00 22.95 C ATOM 368 C THR A 47 17.915 23.227 27.465 1.00 22.95 C ATOM 369 O THR A 47 18.936 22.781 28.016 1.00 24.07 O ATOM 370 CB THR A 47 18.280 25.331 26.091 1.00 24.26 C ATOM 371 OG1 THR A 47 16.994 25.925 26.514 1.00 26.65 O ATOM 372 CG2 THR A 47 18.773 25.861 24.750 1.00 24.42 C ATOM 373 N ASP A 48 16.753 23.212 28.065 1.00 22.28 N ATOM 374 CA ASP A 48 16.563 22.685 29.411 1.00 22.52 C ATOM 375 C ASP A 48 16.594 21.152 29.424 1.00 22.45 C ATOM 376 O ASP A 48 16.324 20.625 30.541 1.00 24.34 O ATOM 377 CB ASP A 48 15.279 23.206 30.047 1.00 22.87 C ATOM 378 CG ASP A 48 14.011 22.691 29.443 1.00 23.57 C ATOM 379 OD1 ASP A 48 13.983 21.854 28.539 1.00 24.62 O ATOM 380 OD2 ASP A 48 12.918 23.111 29.871 1.00 24.68 O ATOM 381 N GLY A 49 16.864 20.464 28.331 1.00 20.14 N ATOM 382 CA GLY A 49 16.908 19.014 28.271 1.00 17.27 C ATOM 383 C GLY A 49 15.593 18.318 28.015 1.00 17.07 C ATOM 384 O GLY A 49 15.541 17.067 27.809 1.00 17.87 O ATOM 385 N SER A 50 14.491 19.052 28.028 1.00 15.40 N ATOM 386 CA SER A 50 13.144 18.546 27.755 1.00 13.74 C ATOM 387 C SER A 50 13.019 18.370 26.222 1.00 13.07 C ATOM 388 O SER A 50 13.903 18.861 25.511 1.00 12.93 O ATOM 389 CB SER A 50 12.085 19.485 28.281 1.00 13.56 C ATOM 390 OG SER A 50 11.982 20.663 27.526 1.00 15.01 O ATOM 391 N THR A 51 12.013 17.705 25.710 1.00 12.45 N ATOM 392 CA THR A 51 11.822 17.476 24.256 1.00 12.68 C ATOM 393 C THR A 51 10.363 17.739 23.891 1.00 12.63 C ATOM 394 O THR A 51 9.505 17.497 24.767 1.00 13.64 O ATOM 395 CB THR A 51 12.235 16.016 23.855 1.00 12.89 C ATOM 396 OG1 THR A 51 13.659 15.856 24.155 1.00 12.32 O ATOM 397 CG2 THR A 51 11.989 15.620 22.389 1.00 12.68 C ATOM 398 N ASP A 52 10.081 18.251 22.721 1.00 12.45 N ATOM 399 CA ASP A 52 8.711 18.510 22.247 1.00 12.48 C ATOM 400 C ASP A 52 8.398 17.411 21.196 1.00 10.58 C ATOM 401 O ASP A 52 9.235 17.101 20.374 1.00 11.85 O ATOM 402 CB ASP A 52 8.461 19.895 21.721 1.00 14.77 C ATOM 403 CG ASP A 52 9.064 20.987 22.575 1.00 16.83 C ATOM 404 OD1 ASP A 52 8.993 21.011 23.802 1.00 16.47 O ATOM 405 OD2 ASP A 52 9.683 21.889 21.969 1.00 20.38 O ATOM 406 N TYR A 53 7.223 16.839 21.312 1.00 10.97 N ATOM 407 CA TYR A 53 6.753 15.737 20.510 1.00 10.50 C ATOM 408 C TYR A 53 5.428 15.900 19.781 1.00 11.83 C ATOM 409 O TYR A 53 4.415 16.410 20.269 1.00 11.47 O ATOM 410 CB TYR A 53 6.552 14.562 21.512 1.00 10.54 C ATOM 411 CG TYR A 53 7.782 14.060 22.209 1.00 10.48 C ATOM 412 CD1 TYR A 53 8.261 14.694 23.365 1.00 10.59 C ATOM 413 CD2 TYR A 53 8.499 12.953 21.720 1.00 9.61 C ATOM 414 CE1 TYR A 53 9.391 14.220 24.033 1.00 9.98 C ATOM 415 CE2 TYR A 53 9.621 12.473 22.391 1.00 9.88 C ATOM 416 CZ TYR A 53 10.061 13.110 23.526 1.00 9.77 C ATOM 417 OH TYR A 53 11.164 12.703 24.220 1.00 12.28 O ATOM 418 N GLY A 54 5.412 15.332 18.587 1.00 12.01 N ATOM 419 CA GLY A 54 4.229 15.269 17.753 1.00 11.82 C ATOM 420 C GLY A 54 3.879 16.555 17.040 1.00 10.20 C ATOM 421 O GLY A 54 4.553 17.574 16.978 1.00 9.07 O ATOM 422 N ILE A 55 2.706 16.417 16.492 1.00 11.40 N ATOM 423 CA ILE A 55 1.997 17.416 15.705 1.00 13.01 C ATOM 424 C ILE A 55 1.803 18.704 16.479 1.00 13.01 C ATOM 425 O ILE A 55 1.870 19.770 15.821 1.00 12.54 O ATOM 426 CB ILE A 55 0.725 16.731 15.092 1.00 15.38 C ATOM 427 CG1 ILE A 55 0.308 17.567 13.838 1.00 15.62 C ATOM 428 CG2 ILE A 55 -0.466 16.483 16.041 1.00 15.53 C ATOM 429 CD1 ILE A 55 -0.276 16.615 12.761 1.00 19.66 C ATOM 430 N LEU A 56 1.563 18.639 17.785 1.00 12.53 N ATOM 431 CA LEU A 56 1.389 19.900 18.531 1.00 13.66 C ATOM 432 C LEU A 56 2.633 20.205 19.351 1.00 13.50 C ATOM 433 O LEU A 56 2.592 21.183 20.118 1.00 13.64 O ATOM 434 CB LEU A 56 0.046 19.934 19.244 1.00 15.76 C ATOM 435 CG LEU A 56 -1.208 20.124 18.359 1.00 15.54 C ATOM 436 CD1 LEU A 56 -2.460 19.777 19.161 1.00 17.80 C ATOM 437 CD2 LEU A 56 -1.276 21.570 17.919 1.00 16.89 C ATOM 438 N GLN A 57 3.689 19.419 19.193 1.00 12.21 N ATOM 439 CA GLN A 57 4.964 19.674 19.901 1.00 10.92 C ATOM 440 C GLN A 57 4.790 19.869 21.422 1.00 10.96 C ATOM 441 O GLN A 57 5.197 20.883 22.004 1.00 9.69 O ATOM 442 CB GLN A 57 5.628 20.915 19.294 1.00 10.55 C ATOM 443 CG GLN A 57 6.285 20.712 17.953 1.00 10.04 C ATOM 444 CD GLN A 57 7.404 19.695 17.930 1.00 8.72 C ATOM 445 OE1 GLN A 57 8.561 20.077 18.001 1.00 9.77 O ATOM 446 NE2 GLN A 57 7.083 18.405 17.859 1.00 8.71 N ATOM 447 N ILE A 58 4.199 18.852 22.009 1.00 10.81 N ATOM 448 CA ILE A 58 3.921 18.809 23.445 1.00 12.20 C ATOM 449 C ILE A 58 5.217 18.472 24.192 1.00 12.62 C ATOM 450 O ILE A 58 5.895 17.480 23.901 1.00 11.54 O ATOM 451 CB ILE A 58 2.710 17.847 23.663 1.00 13.33 C ATOM 452 CG1 ILE A 58 1.429 18.421 23.009 1.00 12.38 C ATOM 453 CG2 ILE A 58 2.530 17.558 25.202 1.00 15.28 C ATOM 454 CD1 ILE A 58 0.189 17.518 23.262 1.00 12.95 C ATOM 455 N ASN A 59 5.534 19.332 25.144 1.00 13.34 N ATOM 456 CA ASN A 59 6.766 19.301 25.933 1.00 14.46 C ATOM 457 C ASN A 59 6.853 18.280 27.051 1.00 14.75 C ATOM 458 O ASN A 59 5.922 18.184 27.856 1.00 14.92 O ATOM 459 CB ASN A 59 6.974 20.726 26.479 1.00 16.50 C ATOM 460 CG ASN A 59 8.352 20.924 27.077 1.00 18.39 C ATOM 461 OD1 ASN A 59 8.446 21.030 28.306 1.00 20.17 O ATOM 462 ND2 ASN A 59 9.436 20.965 26.321 1.00 17.72 N ATOM 463 N SER A 60 7.993 17.609 27.156 1.00 13.67 N ATOM 464 CA SER A 60 8.236 16.598 28.169 1.00 13.87 C ATOM 465 C SER A 60 8.399 17.160 29.580 1.00 15.20 C ATOM 466 O SER A 60 8.261 16.332 30.517 1.00 15.84 O ATOM 467 CB SER A 60 9.421 15.700 27.783 1.00 11.14 C ATOM 468 OG SER A 60 10.659 16.389 27.873 1.00 10.86 O ATOM 469 N ARG A 61 8.685 18.418 29.756 1.00 16.40 N ATOM 470 CA ARG A 61 8.839 19.044 31.111 1.00 19.41 C ATOM 471 C ARG A 61 7.617 18.884 31.998 1.00 18.92 C ATOM 472 O ARG A 61 7.755 18.609 33.215 1.00 20.36 O ATOM 473 CB ARG A 61 9.160 20.519 30.965 1.00 22.25 C ATOM 474 CG ARG A 61 9.597 21.383 32.087 1.00 27.28 C ATOM 475 CD ARG A 61 10.797 20.910 32.790 1.00 31.07 C ATOM 476 NE ARG A 61 12.035 21.103 32.013 1.00 34.13 N ATOM 477 CZ ARG A 61 13.114 20.368 32.352 1.00 35.58 C ATOM 478 NH1 ARG A 61 13.026 19.463 33.342 1.00 36.98 N ATOM 479 NH2 ARG A 61 14.263 20.592 31.716 1.00 36.04 N ATOM 480 N TYR A 62 6.412 19.008 31.457 1.00 17.25 N ATOM 481 CA TYR A 62 5.169 18.885 32.178 1.00 16.66 C ATOM 482 C TYR A 62 4.110 17.897 31.747 1.00 15.87 C ATOM 483 O TYR A 62 3.278 17.484 32.586 1.00 16.05 O ATOM 484 CB TYR A 62 4.368 20.241 31.986 1.00 18.58 C ATOM 485 CG TYR A 62 5.259 21.428 32.231 1.00 21.87 C ATOM 486 CD1 TYR A 62 5.577 21.751 33.561 1.00 22.85 C ATOM 487 CD2 TYR A 62 5.804 22.190 31.194 1.00 22.76 C ATOM 488 CE1 TYR A 62 6.403 22.824 33.869 1.00 23.86 C ATOM 489 CE2 TYR A 62 6.635 23.268 31.494 1.00 24.58 C ATOM 490 CZ TYR A 62 6.926 23.569 32.826 1.00 24.88 C ATOM 491 OH TYR A 62 7.740 24.621 33.164 1.00 28.14 O ATOM 492 N TRP A 63 4.081 17.607 30.443 1.00 14.49 N ATOM 493 CA TRP A 63 2.963 16.807 29.917 1.00 13.23 C ATOM 494 C TRP A 63 3.090 15.357 29.639 1.00 12.99 C ATOM 495 O TRP A 63 2.004 14.722 29.618 1.00 13.41 O ATOM 496 CB TRP A 63 2.455 17.539 28.623 1.00 11.59 C ATOM 497 CG TRP A 63 2.236 18.983 28.922 1.00 11.05 C ATOM 498 CD1 TRP A 63 3.065 20.001 28.566 1.00 11.77 C ATOM 499 CD2 TRP A 63 1.176 19.575 29.695 1.00 11.25 C ATOM 500 NE1 TRP A 63 2.584 21.195 29.041 1.00 12.69 N ATOM 501 CE2 TRP A 63 1.426 20.955 29.756 1.00 11.60 C ATOM 502 CE3 TRP A 63 0.064 19.060 30.368 1.00 11.35 C ATOM 503 CZ2 TRP A 63 0.634 21.857 30.472 1.00 11.72 C ATOM 504 CZ3 TRP A 63 -0.754 19.961 31.046 1.00 11.39 C ATOM 505 CH2 TRP A 63 -0.473 21.332 31.093 1.00 10.92 C ATOM 506 N CYS A 64 4.263 14.852 29.395 1.00 12.41 N ATOM 507 CA CYS A 64 4.395 13.421 29.061 1.00 12.60 C ATOM 508 C CYS A 64 5.677 12.890 29.667 1.00 11.74 C ATOM 509 O CYS A 64 6.536 13.677 30.055 1.00 13.18 O ATOM 510 CB CYS A 64 4.337 13.221 27.548 1.00 11.80 C ATOM 511 SG CYS A 64 5.648 14.029 26.572 1.00 11.60 S ATOM 512 N ASN A 65 5.788 11.584 29.661 1.00 12.71 N ATOM 513 CA ASN A 65 6.971 10.927 30.202 1.00 13.26 C ATOM 514 C ASN A 65 7.855 10.356 29.080 1.00 12.64 C ATOM 515 O ASN A 65 7.350 9.518 28.314 1.00 12.24 O ATOM 516 CB ASN A 65 6.549 9.876 31.258 1.00 13.10 C ATOM 517 CG ASN A 65 7.840 9.148 31.664 1.00 15.52 C ATOM 518 OD1 ASN A 65 8.773 9.762 32.190 1.00 16.06 O ATOM 519 ND2 ASN A 65 7.916 7.873 31.323 1.00 17.74 N ATOM 520 N ASP A 66 9.103 10.805 29.036 1.00 12.10 N ATOM 521 CA ASP A 66 10.084 10.329 28.055 1.00 13.26 C ATOM 522 C ASP A 66 11.277 9.640 28.767 1.00 13.90 C ATOM 523 O ASP A 66 12.197 9.169 28.087 1.00 13.96 O ATOM 524 CB ASP A 66 10.542 11.401 27.097 1.00 11.86 C ATOM 525 CG ASP A 66 11.394 12.508 27.622 1.00 12.20 C ATOM 526 OD1 ASP A 66 11.663 12.552 28.853 1.00 13.13 O ATOM 527 OD2 ASP A 66 11.818 13.350 26.776 1.00 11.30 O ATOM 528 N GLY A 67 11.243 9.579 30.061 1.00 14.78 N ATOM 529 CA GLY A 67 12.245 8.956 30.911 1.00 15.89 C ATOM 530 C GLY A 67 13.572 9.657 30.867 1.00 16.67 C ATOM 531 O GLY A 67 14.560 9.042 31.334 1.00 17.68 O ATOM 532 N ARG A 68 13.617 10.863 30.336 1.00 16.72 N ATOM 533 CA ARG A 68 14.911 11.569 30.267 1.00 18.25 C ATOM 534 C ARG A 68 14.846 13.053 30.523 1.00 18.97 C ATOM 535 O ARG A 68 15.693 13.781 29.972 1.00 20.89 O ATOM 536 CB ARG A 68 15.620 11.356 28.936 1.00 17.87 C ATOM 537 CG ARG A 68 14.987 11.768 27.643 1.00 18.95 C ATOM 538 CD ARG A 68 16.033 12.051 26.609 1.00 20.49 C ATOM 539 NE ARG A 68 15.637 12.983 25.571 1.00 20.98 N ATOM 540 CZ ARG A 68 16.187 12.969 24.338 1.00 22.18 C ATOM 541 NH1 ARG A 68 17.136 12.050 24.074 1.00 22.47 N ATOM 542 NH2 ARG A 68 15.810 13.858 23.390 1.00 20.91 N ATOM 543 N THR A 69 13.873 13.506 31.266 1.00 20.60 N ATOM 544 CA THR A 69 13.660 14.906 31.652 1.00 21.07 C ATOM 545 C THR A 69 13.547 14.966 33.184 1.00 22.20 C ATOM 546 O THR A 69 12.451 14.974 33.757 1.00 22.66 O ATOM 547 CB THR A 69 12.413 15.600 30.986 1.00 20.21 C ATOM 548 OG1 THR A 69 12.388 15.171 29.586 1.00 19.72 O ATOM 549 CG2 THR A 69 12.475 17.127 31.120 1.00 19.82 C ATOM 550 N PRO A 70 14.698 14.932 33.820 1.00 23.50 N ATOM 551 CA PRO A 70 14.768 14.959 35.281 1.00 24.19 C ATOM 552 C PRO A 70 13.851 15.967 35.933 1.00 24.75 C ATOM 553 O PRO A 70 13.828 17.181 35.683 1.00 25.21 O ATOM 554 CB PRO A 70 16.245 15.265 35.551 1.00 24.65 C ATOM 555 CG PRO A 70 16.890 14.435 34.437 1.00 24.69 C ATOM 556 CD PRO A 70 16.044 14.870 33.230 1.00 23.66 C ATOM 557 N GLY A 71 13.052 15.388 36.822 1.00 26.01 N ATOM 558 CA GLY A 71 12.064 16.053 37.658 1.00 26.54 C ATOM 559 C GLY A 71 11.062 16.891 36.885 1.00 26.68 C ATOM 560 O GLY A 71 10.870 18.090 37.181 1.00 28.97 O ATOM 561 N SER A 72 10.444 16.254 35.919 1.00 25.47 N ATOM 562 CA SER A 72 9.425 16.836 35.043 1.00 23.37 C ATOM 563 C SER A 72 8.129 16.130 35.474 1.00 22.73 C ATOM 564 O SER A 72 8.242 15.103 36.155 1.00 21.65 O ATOM 565 CB SER A 72 9.705 16.458 33.595 1.00 22.82 C ATOM 566 OG SER A 72 9.676 15.040 33.559 1.00 22.07 O ATOM 567 N ARG A 73 7.038 16.708 35.050 1.00 22.41 N ATOM 568 CA ARG A 73 5.712 16.155 35.384 1.00 21.99 C ATOM 569 C ARG A 73 5.275 15.342 34.161 1.00 20.48 C ATOM 570 O ARG A 73 6.002 15.423 33.147 1.00 21.56 O ATOM 571 CB ARG A 73 4.720 17.265 35.738 1.00 25.01 C ATOM 572 CG ARG A 73 5.275 18.170 36.841 1.00 30.22 C ATOM 573 CD ARG A 73 4.248 19.115 37.389 1.00 33.85 C ATOM 574 NE ARG A 73 3.404 18.419 38.357 1.00 36.84 N ATOM 575 CZ ARG A 73 2.252 18.857 38.870 1.00 37.84 C ATOM 576 NH1 ARG A 73 1.794 20.080 38.568 1.00 38.43 N ATOM 577 NH2 ARG A 73 1.539 17.986 39.611 1.00 37.21 N ATOM 578 N ASN A 74 4.218 14.628 34.301 1.00 17.18 N ATOM 579 CA ASN A 74 3.561 13.796 33.314 1.00 16.57 C ATOM 580 C ASN A 74 2.052 14.053 33.476 1.00 15.78 C ATOM 581 O ASN A 74 1.258 13.122 33.724 1.00 15.61 O ATOM 582 CB ASN A 74 3.949 12.347 33.438 1.00 18.12 C ATOM 583 CG ASN A 74 3.289 11.404 32.462 1.00 17.97 C ATOM 584 OD1 ASN A 74 3.290 10.177 32.622 1.00 19.27 O ATOM 585 ND2 ASN A 74 2.706 11.941 31.398 1.00 17.79 N ATOM 586 N LEU A 75 1.730 15.325 33.267 1.00 15.58 N ATOM 587 CA LEU A 75 0.317 15.744 33.430 1.00 16.53 C ATOM 588 C LEU A 75 -0.699 15.059 32.564 1.00 16.52 C ATOM 589 O LEU A 75 -1.871 14.956 32.986 1.00 17.63 O ATOM 590 CB LEU A 75 0.267 17.279 33.433 1.00 17.39 C ATOM 591 CG LEU A 75 0.954 17.967 34.601 1.00 18.28 C ATOM 592 CD1 LEU A 75 0.765 19.463 34.502 1.00 20.04 C ATOM 593 CD2 LEU A 75 0.397 17.486 35.937 1.00 19.35 C ATOM 594 N CYS A 76 -0.336 14.612 31.374 1.00 15.51 N ATOM 595 CA CYS A 76 -1.220 13.945 30.452 1.00 15.62 C ATOM 596 C CYS A 76 -1.248 12.454 30.688 1.00 17.12 C ATOM 597 O CYS A 76 -2.072 11.804 30.025 1.00 17.18 O ATOM 598 CB CYS A 76 -0.903 14.303 28.996 1.00 14.35 C ATOM 599 SG CYS A 76 -1.409 16.038 28.698 1.00 14.71 S ATOM 600 N ASN A 77 -0.410 11.925 31.553 1.00 17.97 N ATOM 601 CA ASN A 77 -0.354 10.511 31.861 1.00 19.52 C ATOM 602 C ASN A 77 -0.159 9.556 30.692 1.00 18.77 C ATOM 603 O ASN A 77 -0.888 8.560 30.547 1.00 17.98 O ATOM 604 CB ASN A 77 -1.568 10.018 32.694 1.00 25.17 C ATOM 605 CG ASN A 77 -0.959 9.894 34.104 1.00 29.97 C ATOM 606 OD1 ASN A 77 -1.260 10.778 34.933 1.00 34.22 O ATOM 607 ND2 ASN A 77 -0.068 8.902 34.281 1.00 31.93 N ATOM 608 N ILE A 78 0.875 9.891 29.918 1.00 17.47 N ATOM 609 CA ILE A 78 1.228 9.084 28.774 1.00 15.97 C ATOM 610 C ILE A 78 2.725 9.184 28.488 1.00 14.21 C ATOM 611 O ILE A 78 3.374 10.188 28.813 1.00 13.06 O ATOM 612 CB ILE A 78 0.502 9.634 27.478 1.00 16.68 C ATOM 613 CG1 ILE A 78 0.621 11.155 27.488 1.00 16.37 C ATOM 614 CG2 ILE A 78 -0.899 9.036 27.275 1.00 16.95 C ATOM 615 CD1 ILE A 78 0.659 11.838 26.088 1.00 16.96 C ATOM 616 N PRO A 79 3.203 8.133 27.859 1.00 14.41 N ATOM 617 CA PRO A 79 4.611 8.131 27.404 1.00 13.68 C ATOM 618 C PRO A 79 4.610 9.110 26.211 1.00 12.95 C ATOM 619 O PRO A 79 3.662 9.108 25.405 1.00 13.48 O ATOM 620 CB PRO A 79 4.876 6.709 26.985 1.00 14.14 C ATOM 621 CG PRO A 79 3.544 6.021 26.869 1.00 14.89 C ATOM 622 CD PRO A 79 2.475 6.948 27.423 1.00 13.97 C ATOM 623 N CYS A 80 5.639 9.940 26.103 1.00 12.02 N ATOM 624 CA CYS A 80 5.757 10.923 25.022 1.00 11.23 C ATOM 625 C CYS A 80 5.637 10.303 23.637 1.00 11.04 C ATOM 626 O CYS A 80 5.197 10.894 22.626 1.00 11.32 O ATOM 627 CB CYS A 80 7.034 11.697 25.210 1.00 11.02 C ATOM 628 SG CYS A 80 7.173 12.759 26.667 1.00 10.14 S ATOM 629 N SER A 81 6.073 9.058 23.541 1.00 12.33 N ATOM 630 CA SER A 81 6.055 8.322 22.252 1.00 13.03 C ATOM 631 C SER A 81 4.649 8.182 21.732 1.00 14.06 C ATOM 632 O SER A 81 4.447 8.109 20.486 1.00 13.50 O ATOM 633 CB SER A 81 6.811 7.009 22.384 1.00 12.16 C ATOM 634 OG SER A 81 5.991 6.115 23.144 1.00 13.27 O ATOM 635 N ALA A 82 3.678 8.134 22.627 1.00 14.07 N ATOM 636 CA ALA A 82 2.266 8.037 22.262 1.00 15.38 C ATOM 637 C ALA A 82 1.844 9.267 21.431 1.00 15.37 C ATOM 638 O ALA A 82 0.871 9.211 20.690 1.00 16.34 O ATOM 639 CB ALA A 82 1.314 7.951 23.441 1.00 15.96 C ATOM 640 N LEU A 83 2.592 10.348 21.589 1.00 15.67 N ATOM 641 CA LEU A 83 2.312 11.589 20.875 1.00 15.41 C ATOM 642 C LEU A 83 2.801 11.626 19.417 1.00 14.76 C ATOM 643 O LEU A 83 2.472 12.620 18.754 1.00 13.98 O ATOM 644 CB LEU A 83 2.959 12.706 21.698 1.00 14.85 C ATOM 645 CG LEU A 83 2.354 13.038 23.055 1.00 15.89 C ATOM 646 CD1 LEU A 83 3.130 14.252 23.602 1.00 14.82 C ATOM 647 CD2 LEU A 83 0.875 13.351 22.944 1.00 13.68 C ATOM 648 N LEU A 84 3.536 10.636 18.984 1.00 14.14 N ATOM 649 CA LEU A 84 4.107 10.560 17.649 1.00 14.46 C ATOM 650 C LEU A 84 3.299 9.666 16.714 1.00 15.49 C ATOM 651 O LEU A 84 3.649 9.537 15.516 1.00 16.95 O ATOM 652 CB LEU A 84 5.532 10.045 17.816 1.00 12.37 C ATOM 653 CG LEU A 84 6.470 10.785 18.750 1.00 12.37 C ATOM 654 CD1 LEU A 84 7.872 10.192 18.630 1.00 13.09 C ATOM 655 CD2 LEU A 84 6.538 12.260 18.369 1.00 11.93 C ATOM 656 N SER A 85 2.285 9.026 17.220 1.00 15.74 N ATOM 657 CA SER A 85 1.440 8.117 16.439 1.00 15.95 C ATOM 658 C SER A 85 0.659 8.728 15.289 1.00 17.34 C ATOM 659 O SER A 85 0.320 9.919 15.271 1.00 17.11 O ATOM 660 CB SER A 85 0.501 7.560 17.519 1.00 16.32 C ATOM 661 OG SER A 85 -0.622 6.956 16.932 1.00 18.87 O ATOM 662 N SER A 86 0.277 7.899 14.322 1.00 16.89 N ATOM 663 CA SER A 86 -0.558 8.304 13.166 1.00 18.91 C ATOM 664 C SER A 86 -1.954 8.710 13.652 1.00 18.02 C ATOM 665 O SER A 86 -2.676 9.552 13.082 1.00 18.10 O ATOM 666 CB SER A 86 -0.619 7.144 12.165 1.00 19.78 C ATOM 667 OG SER A 86 -0.972 5.955 12.913 1.00 24.02 O ATOM 668 N ASP A 87 -2.371 8.077 14.734 1.00 17.84 N ATOM 669 CA ASP A 87 -3.657 8.355 15.397 1.00 17.94 C ATOM 670 C ASP A 87 -3.450 9.614 16.256 1.00 17.73 C ATOM 671 O ASP A 87 -2.642 9.558 17.213 1.00 17.82 O ATOM 672 CB ASP A 87 -4.103 7.155 16.240 1.00 18.87 C ATOM 673 CG ASP A 87 -5.465 7.405 16.869 1.00 22.38 C ATOM 674 OD1 ASP A 87 -5.902 8.471 17.319 1.00 20.42 O ATOM 675 OD2 ASP A 87 -6.233 6.399 16.911 1.00 26.89 O ATOM 676 N ILE A 88 -4.158 10.698 16.009 1.00 15.96 N ATOM 677 CA ILE A 88 -3.911 11.892 16.833 1.00 15.46 C ATOM 678 C ILE A 88 -4.671 11.941 18.131 1.00 14.53 C ATOM 679 O ILE A 88 -4.576 12.989 18.833 1.00 14.56 O ATOM 680 CB ILE A 88 -4.149 13.225 16.009 1.00 15.83 C ATOM 681 CG1 ILE A 88 -5.670 13.366 15.698 1.00 15.40 C ATOM 682 CG2 ILE A 88 -3.179 13.359 14.807 1.00 14.08 C ATOM 683 CD1 ILE A 88 -6.063 14.826 15.266 1.00 15.63 C ATOM 684 N THR A 89 -5.417 10.935 18.490 1.00 14.26 N ATOM 685 CA THR A 89 -6.179 11.003 19.748 1.00 14.43 C ATOM 686 C THR A 89 -5.427 11.434 21.005 1.00 15.06 C ATOM 687 O THR A 89 -5.958 12.305 21.718 1.00 13.54 O ATOM 688 CB THR A 89 -6.889 9.609 19.983 1.00 14.29 C ATOM 689 OG1 THR A 89 -7.596 9.434 18.731 1.00 15.43 O ATOM 690 CG2 THR A 89 -7.843 9.672 21.173 1.00 13.96 C ATOM 691 N ALA A 90 -4.282 10.838 21.317 1.00 14.36 N ATOM 692 CA ALA A 90 -3.544 11.230 22.530 1.00 14.86 C ATOM 693 C ALA A 90 -3.044 12.667 22.429 1.00 14.35 C ATOM 694 O ALA A 90 -3.085 13.386 23.442 1.00 12.62 O ATOM 695 CB ALA A 90 -2.359 10.305 22.787 1.00 16.57 C ATOM 696 N SER A 91 -2.596 13.057 21.246 1.00 12.89 N ATOM 697 CA SER A 91 -2.122 14.440 21.056 1.00 13.46 C ATOM 698 C SER A 91 -3.265 15.423 21.308 1.00 13.99 C ATOM 699 O SER A 91 -3.066 16.465 21.987 1.00 14.09 O ATOM 700 CB SER A 91 -1.492 14.674 19.693 1.00 14.37 C ATOM 701 OG SER A 91 -0.190 14.123 19.683 1.00 15.31 O ATOM 702 N VAL A 92 -4.427 15.104 20.788 1.00 13.07 N ATOM 703 CA VAL A 92 -5.567 16.013 21.006 1.00 13.69 C ATOM 704 C VAL A 92 -5.978 15.973 22.463 1.00 14.25 C ATOM 705 O VAL A 92 -6.301 17.035 23.026 1.00 13.30 O ATOM 706 CB VAL A 92 -6.683 15.626 20.017 1.00 15.26 C ATOM 707 CG1 VAL A 92 -8.067 16.157 20.403 1.00 16.86 C ATOM 708 CG2 VAL A 92 -6.306 16.075 18.614 1.00 15.40 C ATOM 709 N ASN A 93 -5.997 14.808 23.089 1.00 15.11 N ATOM 710 CA ASN A 93 -6.455 14.729 24.509 1.00 16.81 C ATOM 711 C ASN A 93 -5.590 15.603 25.416 1.00 16.09 C ATOM 712 O ASN A 93 -6.056 16.390 26.283 1.00 17.09 O ATOM 713 CB ASN A 93 -6.623 13.281 24.978 1.00 18.92 C ATOM 714 CG ASN A 93 -7.830 12.640 24.320 1.00 21.77 C ATOM 715 OD1 ASN A 93 -8.682 13.314 23.705 1.00 23.77 O ATOM 716 ND2 ASN A 93 -7.871 11.300 24.453 1.00 24.55 N ATOM 717 N CYS A 94 -4.318 15.414 25.191 1.00 13.60 N ATOM 718 CA CYS A 94 -3.325 16.194 25.964 1.00 13.33 C ATOM 719 C CYS A 94 -3.453 17.672 25.667 1.00 11.96 C ATOM 720 O CYS A 94 -3.403 18.515 26.573 1.00 12.46 O ATOM 721 CB CYS A 94 -1.950 15.568 25.769 1.00 11.37 C ATOM 722 SG CYS A 94 -0.726 16.375 26.804 1.00 14.52 S ATOM 723 N ALA A 95 -3.626 18.090 24.418 1.00 12.36 N ATOM 724 CA ALA A 95 -3.782 19.487 24.005 1.00 11.71 C ATOM 725 C ALA A 95 -4.912 20.186 24.762 1.00 11.92 C ATOM 726 O ALA A 95 -4.834 21.369 25.121 1.00 12.03 O ATOM 727 CB ALA A 95 -4.030 19.593 22.511 1.00 9.32 C ATOM 728 N LYS A 96 -5.994 19.467 24.961 1.00 12.95 N ATOM 729 CA LYS A 96 -7.199 19.985 25.655 1.00 13.61 C ATOM 730 C LYS A 96 -6.857 20.394 27.073 1.00 13.61 C ATOM 731 O LYS A 96 -7.319 21.390 27.626 1.00 15.55 O ATOM 732 CB LYS A 96 -8.276 18.902 25.583 1.00 14.04 C ATOM 733 CG LYS A 96 -8.995 18.901 24.218 1.00 15.38 C ATOM 734 CD LYS A 96 -10.029 17.783 24.194 1.00 14.87 C ATOM 735 CE LYS A 96 -10.904 17.941 22.950 1.00 15.10 C ATOM 736 NZ LYS A 96 -11.758 16.719 22.846 1.00 14.17 N ATOM 737 N LYS A 97 -6.012 19.624 27.729 1.00 15.08 N ATOM 738 CA LYS A 97 -5.519 19.871 29.100 1.00 15.88 C ATOM 739 C LYS A 97 -4.618 21.099 29.124 1.00 14.68 C ATOM 740 O LYS A 97 -4.713 22.019 29.970 1.00 13.98 O ATOM 741 CB LYS A 97 -4.769 18.640 29.625 1.00 17.50 C ATOM 742 CG LYS A 97 -5.771 17.601 30.140 1.00 23.07 C ATOM 743 CD LYS A 97 -5.458 16.190 29.736 1.00 26.88 C ATOM 744 CE LYS A 97 -6.059 15.192 30.718 1.00 29.88 C ATOM 745 NZ LYS A 97 -4.979 14.536 31.519 1.00 33.53 N ATOM 746 N ILE A 98 -3.707 21.085 28.128 1.00 11.95 N ATOM 747 CA ILE A 98 -2.766 22.226 28.052 1.00 10.89 C ATOM 748 C ILE A 98 -3.532 23.533 27.881 1.00 10.54 C ATOM 749 O ILE A 98 -3.258 24.515 28.588 1.00 8.60 O ATOM 750 CB ILE A 98 -1.684 21.990 26.951 1.00 11.17 C ATOM 751 CG1 ILE A 98 -0.836 20.728 27.240 1.00 12.34 C ATOM 752 CG2 ILE A 98 -0.754 23.208 26.714 1.00 11.20 C ATOM 753 CD1 ILE A 98 -0.119 20.130 25.988 1.00 11.75 C ATOM 754 N VAL A 99 -4.402 23.626 26.885 1.00 11.59 N ATOM 755 CA VAL A 99 -5.178 24.833 26.553 1.00 13.26 C ATOM 756 C VAL A 99 -6.067 25.304 27.710 1.00 15.09 C ATOM 757 O VAL A 99 -6.374 26.506 27.772 1.00 15.61 O ATOM 758 CB VAL A 99 -5.931 24.754 25.210 1.00 12.04 C ATOM 759 CG1 VAL A 99 -7.289 24.074 25.220 1.00 11.76 C ATOM 760 CG2 VAL A 99 -6.119 26.119 24.551 1.00 12.47 C ATOM 761 N SER A 100 -6.441 24.389 28.583 1.00 16.27 N ATOM 762 CA SER A 100 -7.280 24.673 29.740 1.00 18.61 C ATOM 763 C SER A 100 -6.442 25.140 30.934 1.00 19.93 C ATOM 764 O SER A 100 -7.023 25.528 31.949 1.00 21.40 O ATOM 765 CB SER A 100 -8.056 23.417 30.160 1.00 16.23 C ATOM 766 OG SER A 100 -8.807 22.998 29.042 1.00 16.87 O ATOM 767 N ASP A 101 -5.144 25.074 30.801 1.00 21.94 N ATOM 768 CA ASP A 101 -4.166 25.416 31.816 1.00 23.52 C ATOM 769 C ASP A 101 -4.197 26.863 32.252 1.00 23.50 C ATOM 770 O ASP A 101 -3.573 27.076 33.332 1.00 25.86 O ATOM 771 CB ASP A 101 -2.755 24.969 31.437 1.00 24.99 C ATOM 772 CG ASP A 101 -1.866 24.655 32.617 1.00 28.23 C ATOM 773 OD1 ASP A 101 -2.350 23.986 33.563 1.00 28.56 O ATOM 774 OD2 ASP A 101 -0.685 25.071 32.672 1.00 30.61 O ATOM 775 N GLY A 102 -4.799 27.795 31.558 1.00 23.33 N ATOM 776 CA GLY A 102 -4.766 29.196 32.079 1.00 21.77 C ATOM 777 C GLY A 102 -4.258 30.186 31.035 1.00 21.55 C ATOM 778 O GLY A 102 -4.809 31.311 30.954 1.00 20.41 O ATOM 779 N ASN A 103 -3.256 29.751 30.258 1.00 20.81 N ATOM 780 CA ASN A 103 -2.693 30.602 29.190 1.00 18.90 C ATOM 781 C ASN A 103 -3.333 30.387 27.840 1.00 16.06 C ATOM 782 O ASN A 103 -2.998 31.118 26.897 1.00 16.19 O ATOM 783 CB ASN A 103 -1.162 30.562 29.197 1.00 23.62 C ATOM 784 CG ASN A 103 -0.792 31.204 30.544 1.00 28.11 C ATOM 785 OD1 ASN A 103 -1.210 32.351 30.766 1.00 31.10 O ATOM 786 ND2 ASN A 103 -0.129 30.463 31.427 1.00 30.60 N ATOM 787 N GLY A 104 -4.260 29.501 27.696 1.00 14.43 N ATOM 788 CA GLY A 104 -4.949 29.245 26.426 1.00 12.99 C ATOM 789 C GLY A 104 -3.880 28.739 25.453 1.00 12.78 C ATOM 790 O GLY A 104 -2.973 28.014 25.872 1.00 12.30 O ATOM 791 N MET A 105 -4.041 29.164 24.198 1.00 13.22 N ATOM 792 CA MET A 105 -3.112 28.750 23.117 1.00 12.43 C ATOM 793 C MET A 105 -1.740 29.399 23.167 1.00 11.62 C ATOM 794 O MET A 105 -0.809 28.967 22.466 1.00 10.14 O ATOM 795 CB MET A 105 -3.815 28.836 21.769 1.00 11.06 C ATOM 796 CG MET A 105 -4.764 27.658 21.645 1.00 9.87 C ATOM 797 SD MET A 105 -5.287 27.495 19.873 1.00 13.37 S ATOM 798 CE MET A 105 -3.852 26.685 19.176 1.00 11.23 C ATOM 799 N ASN A 106 -1.575 30.377 24.048 1.00 11.94 N ATOM 800 CA ASN A 106 -0.280 31.077 24.242 1.00 12.12 C ATOM 801 C ASN A 106 0.761 30.044 24.724 1.00 12.14 C ATOM 802 O ASN A 106 1.947 30.345 24.660 1.00 14.32 O ATOM 803 CB ASN A 106 -0.382 32.272 25.146 1.00 10.16 C ATOM 804 CG ASN A 106 -1.275 33.369 24.596 1.00 9.46 C ATOM 805 OD1 ASN A 106 -0.930 33.970 23.581 1.00 10.95 O ATOM 806 ND2 ASN A 106 -2.395 33.588 25.252 1.00 9.19 N ATOM 807 N ALA A 107 0.285 28.902 25.148 1.00 12.75 N ATOM 808 CA ALA A 107 1.155 27.797 25.547 1.00 12.70 C ATOM 809 C ALA A 107 1.974 27.346 24.335 1.00 13.59 C ATOM 810 O ALA A 107 3.077 26.821 24.549 1.00 15.02 O ATOM 811 CB ALA A 107 0.310 26.633 26.008 1.00 13.87 C ATOM 812 N TRP A 108 1.502 27.554 23.115 1.00 12.75 N ATOM 813 CA TRP A 108 2.255 27.154 21.901 1.00 12.88 C ATOM 814 C TRP A 108 2.917 28.400 21.342 1.00 13.04 C ATOM 815 O TRP A 108 2.155 29.263 20.856 1.00 13.04 O ATOM 816 CB TRP A 108 1.373 26.460 20.863 1.00 11.34 C ATOM 817 CG TRP A 108 0.963 25.086 21.272 1.00 10.78 C ATOM 818 CD1 TRP A 108 1.671 23.933 21.054 1.00 11.02 C ATOM 819 CD2 TRP A 108 -0.235 24.682 21.938 1.00 11.13 C ATOM 820 NE1 TRP A 108 0.965 22.836 21.514 1.00 9.67 N ATOM 821 CE2 TRP A 108 -0.191 23.285 22.084 1.00 10.03 C ATOM 822 CE3 TRP A 108 -1.337 25.403 22.422 1.00 12.19 C ATOM 823 CZ2 TRP A 108 -1.196 22.575 22.725 1.00 10.77 C ATOM 824 CZ3 TRP A 108 -2.332 24.680 23.085 1.00 12.57 C ATOM 825 CH2 TRP A 108 -2.270 23.295 23.217 1.00 11.83 C ATOM 826 N VAL A 109 4.225 28.485 21.423 1.00 13.62 N ATOM 827 CA VAL A 109 4.940 29.690 20.930 1.00 14.75 C ATOM 828 C VAL A 109 4.746 29.995 19.450 1.00 14.33 C ATOM 829 O VAL A 109 4.661 31.201 19.088 1.00 15.88 O ATOM 830 CB VAL A 109 6.394 29.540 21.392 1.00 15.53 C ATOM 831 CG1 VAL A 109 6.943 28.243 20.814 1.00 17.04 C ATOM 832 CG2 VAL A 109 7.245 30.755 21.035 1.00 16.50 C ATOM 833 N ALA A 110 4.632 29.028 18.554 1.00 14.36 N ATOM 834 CA ALA A 110 4.412 29.312 17.119 1.00 13.61 C ATOM 835 C ALA A 110 2.982 29.828 16.929 1.00 13.79 C ATOM 836 O ALA A 110 2.788 30.617 16.001 1.00 14.39 O ATOM 837 CB ALA A 110 4.715 28.152 16.189 1.00 12.59 C ATOM 838 N TRP A 111 2.029 29.439 17.749 1.00 12.84 N ATOM 839 CA TRP A 111 0.650 29.937 17.642 1.00 12.26 C ATOM 840 C TRP A 111 0.635 31.438 17.949 1.00 12.15 C ATOM 841 O TRP A 111 0.043 32.354 17.350 1.00 12.21 O ATOM 842 CB TRP A 111 -0.364 29.196 18.567 1.00 10.77 C ATOM 843 CG TRP A 111 -1.715 29.839 18.485 1.00 11.23 C ATOM 844 CD1 TRP A 111 -2.621 29.635 17.477 1.00 11.66 C ATOM 845 CD2 TRP A 111 -2.303 30.840 19.334 1.00 10.70 C ATOM 846 NE1 TRP A 111 -3.721 30.441 17.677 1.00 10.39 N ATOM 847 CE2 TRP A 111 -3.559 31.162 18.818 1.00 10.29 C ATOM 848 CE3 TRP A 111 -1.883 31.468 20.527 1.00 11.55 C ATOM 849 CZ2 TRP A 111 -4.406 32.070 19.419 1.00 10.82 C ATOM 850 CZ3 TRP A 111 -2.720 32.400 21.108 1.00 11.30 C ATOM 851 CH2 TRP A 111 -3.976 32.717 20.583 1.00 10.19 C ATOM 852 N ARG A 112 1.301 31.704 19.063 1.00 12.26 N ATOM 853 CA ARG A 112 1.407 33.054 19.593 1.00 14.06 C ATOM 854 C ARG A 112 2.094 33.975 18.583 1.00 13.88 C ATOM 855 O ARG A 112 1.647 35.090 18.293 1.00 12.55 O ATOM 856 CB ARG A 112 2.136 32.944 20.940 1.00 16.59 C ATOM 857 CG ARG A 112 2.097 34.247 21.676 1.00 22.16 C ATOM 858 CD ARG A 112 2.734 34.098 23.020 1.00 26.35 C ATOM 859 NE ARG A 112 4.189 33.994 22.930 1.00 30.18 N ATOM 860 CZ ARG A 112 4.844 32.888 23.293 1.00 31.06 C ATOM 861 NH1 ARG A 112 4.231 31.801 23.745 1.00 32.16 N ATOM 862 NH2 ARG A 112 6.172 32.929 23.201 1.00 33.21 N ATOM 863 N ASN A 113 3.185 33.491 18.012 1.00 14.01 N ATOM 864 CA ASN A 113 3.969 34.298 17.070 1.00 13.79 C ATOM 865 C ASN A 113 3.513 34.249 15.624 1.00 13.53 C ATOM 866 O ASN A 113 3.881 35.184 14.892 1.00 13.00 O ATOM 867 CB ASN A 113 5.438 33.842 17.196 1.00 14.26 C ATOM 868 CG ASN A 113 6.044 34.301 18.521 1.00 14.82 C ATOM 869 OD1 ASN A 113 5.589 35.343 19.006 1.00 15.85 O ATOM 870 ND2 ASN A 113 7.003 33.591 19.078 1.00 13.37 N ATOM 871 N ARG A 114 2.798 33.201 15.236 1.00 13.10 N ATOM 872 CA ARG A 114 2.467 33.097 13.811 1.00 13.27 C ATOM 873 C ARG A 114 1.017 32.975 13.498 1.00 13.36 C ATOM 874 O ARG A 114 0.727 33.200 12.311 1.00 14.12 O ATOM 875 CB ARG A 114 3.242 31.870 13.219 1.00 13.97 C ATOM 876 CG ARG A 114 4.739 32.044 13.476 1.00 15.68 C ATOM 877 CD ARG A 114 5.654 31.043 12.923 1.00 16.48 C ATOM 878 NE ARG A 114 5.790 31.159 11.460 1.00 15.40 N ATOM 879 CZ ARG A 114 6.559 30.281 10.821 1.00 16.38 C ATOM 880 NH1 ARG A 114 7.207 29.320 11.483 1.00 15.72 N ATOM 881 NH2 ARG A 114 6.612 30.375 9.492 1.00 15.50 N ATOM 882 N CYS A 115 0.191 32.634 14.457 1.00 11.90 N ATOM 883 CA CYS A 115 -1.240 32.482 14.204 1.00 12.15 C ATOM 884 C CYS A 115 -2.122 33.534 14.859 1.00 13.32 C ATOM 885 O CYS A 115 -3.073 34.010 14.220 1.00 13.61 O ATOM 886 CB CYS A 115 -1.711 31.094 14.679 1.00 9.48 C ATOM 887 SG CYS A 115 -0.700 29.802 13.921 1.00 10.93 S ATOM 888 N LYS A 116 -1.784 33.773 16.118 1.00 13.31 N ATOM 889 CA LYS A 116 -2.543 34.726 16.930 1.00 13.79 C ATOM 890 C LYS A 116 -2.789 36.021 16.177 1.00 15.08 C ATOM 891 O LYS A 116 -1.834 36.680 15.682 1.00 14.50 O ATOM 892 CB LYS A 116 -1.769 34.986 18.223 1.00 13.17 C ATOM 893 CG LYS A 116 -2.638 35.782 19.231 1.00 14.32 C ATOM 894 CD LYS A 116 -1.883 35.937 20.550 1.00 14.47 C ATOM 895 CE LYS A 116 -2.744 36.550 21.658 1.00 15.76 C ATOM 896 NZ LYS A 116 -1.878 36.688 22.890 1.00 13.94 N ATOM 897 N GLY A 117 -4.044 36.386 16.050 1.00 16.75 N ATOM 898 CA GLY A 117 -4.420 37.639 15.355 1.00 19.35 C ATOM 899 C GLY A 117 -4.262 37.706 13.851 1.00 20.22 C ATOM 900 O GLY A 117 -4.220 38.827 13.263 1.00 22.04 O ATOM 901 N THR A 118 -4.160 36.599 13.169 1.00 19.84 N ATOM 902 CA THR A 118 -3.999 36.489 11.710 1.00 19.43 C ATOM 903 C THR A 118 -5.302 35.921 11.196 1.00 20.17 C ATOM 904 O THR A 118 -6.084 35.487 12.071 1.00 19.70 O ATOM 905 CB THR A 118 -2.763 35.558 11.383 1.00 19.21 C ATOM 906 OG1 THR A 118 -3.195 34.208 11.735 1.00 17.64 O ATOM 907 CG2 THR A 118 -1.478 35.961 12.136 1.00 19.25 C ATOM 908 N ASP A 119 -5.558 35.893 9.911 1.00 21.14 N ATOM 909 CA ASP A 119 -6.855 35.298 9.448 1.00 23.11 C ATOM 910 C ASP A 119 -6.750 33.785 9.530 1.00 22.19 C ATOM 911 O ASP A 119 -6.458 33.127 8.509 1.00 22.73 O ATOM 912 CB ASP A 119 -7.218 35.859 8.069 1.00 28.30 C ATOM 913 CG ASP A 119 -8.459 35.218 7.466 1.00 32.16 C ATOM 914 OD1 ASP A 119 -9.374 34.746 8.166 1.00 35.11 O ATOM 915 OD2 ASP A 119 -8.552 35.166 6.209 1.00 35.00 O ATOM 916 N VAL A 120 -6.993 33.208 10.704 1.00 21.30 N ATOM 917 CA VAL A 120 -6.872 31.748 10.858 1.00 19.98 C ATOM 918 C VAL A 120 -7.904 30.978 10.051 1.00 20.33 C ATOM 919 O VAL A 120 -7.712 29.769 9.786 1.00 19.80 O ATOM 920 CB VAL A 120 -6.843 31.367 12.341 1.00 19.97 C ATOM 921 CG1 VAL A 120 -5.495 31.693 12.967 1.00 20.02 C ATOM 922 CG2 VAL A 120 -8.011 32.019 13.064 1.00 18.80 C ATOM 923 N GLN A 121 -8.957 31.646 9.651 1.00 20.12 N ATOM 924 CA GLN A 121 -10.001 30.959 8.859 1.00 21.83 C ATOM 925 C GLN A 121 -9.393 30.495 7.544 1.00 19.82 C ATOM 926 O GLN A 121 -9.898 29.544 6.917 1.00 18.29 O ATOM 927 CB GLN A 121 -11.253 31.820 8.730 1.00 27.81 C ATOM 928 CG GLN A 121 -12.259 31.225 7.747 1.00 33.82 C ATOM 929 CD GLN A 121 -13.633 31.810 7.968 1.00 37.82 C ATOM 930 OE1 GLN A 121 -13.814 33.027 7.789 1.00 41.95 O ATOM 931 NE2 GLN A 121 -14.589 30.961 8.370 1.00 39.93 N ATOM 932 N ALA A 122 -8.320 31.141 7.141 1.00 19.08 N ATOM 933 CA ALA A 122 -7.635 30.729 5.893 1.00 18.91 C ATOM 934 C ALA A 122 -7.198 29.268 5.939 1.00 19.24 C ATOM 935 O ALA A 122 -7.245 28.578 4.889 1.00 19.14 O ATOM 936 CB ALA A 122 -6.454 31.640 5.628 1.00 18.29 C ATOM 937 N TRP A 123 -6.806 28.748 7.096 1.00 17.87 N ATOM 938 CA TRP A 123 -6.343 27.359 7.254 1.00 17.58 C ATOM 939 C TRP A 123 -7.377 26.272 7.006 1.00 17.23 C ATOM 940 O TRP A 123 -7.012 25.078 6.840 1.00 16.77 O ATOM 941 CB TRP A 123 -5.627 27.207 8.623 1.00 16.24 C ATOM 942 CG TRP A 123 -4.393 28.039 8.667 1.00 15.90 C ATOM 943 CD1 TRP A 123 -4.150 29.238 9.267 1.00 15.98 C ATOM 944 CD2 TRP A 123 -3.167 27.664 8.008 1.00 16.36 C ATOM 945 NE1 TRP A 123 -2.857 29.651 9.043 1.00 16.17 N ATOM 946 CE2 TRP A 123 -2.236 28.701 8.264 1.00 16.43 C ATOM 947 CE3 TRP A 123 -2.814 26.562 7.225 1.00 16.42 C ATOM 948 CZ2 TRP A 123 -0.943 28.624 7.759 1.00 17.00 C ATOM 949 CZ3 TRP A 123 -1.537 26.500 6.699 1.00 16.08 C ATOM 950 CH2 TRP A 123 -0.635 27.515 6.959 1.00 16.90 C ATOM 951 N ILE A 124 -8.644 26.644 6.976 1.00 17.26 N ATOM 952 CA ILE A 124 -9.699 25.637 6.722 1.00 18.25 C ATOM 953 C ILE A 124 -10.458 25.929 5.434 1.00 19.29 C ATOM 954 O ILE A 124 -11.393 25.164 5.131 1.00 19.69 O ATOM 955 CB ILE A 124 -10.569 25.385 7.981 1.00 17.54 C ATOM 956 CG1 ILE A 124 -11.255 26.712 8.408 1.00 16.01 C ATOM 957 CG2 ILE A 124 -9.782 24.737 9.178 1.00 15.69 C ATOM 958 CD1 ILE A 124 -12.468 26.507 9.344 1.00 19.06 C ATOM 959 N ARG A 125 -10.087 26.940 4.673 1.00 21.20 N ATOM 960 CA ARG A 125 -10.776 27.236 3.394 1.00 23.57 C ATOM 961 C ARG A 125 -10.626 26.045 2.442 1.00 23.36 C ATOM 962 O ARG A 125 -9.614 25.340 2.415 1.00 23.37 O ATOM 963 CB ARG A 125 -10.342 28.487 2.662 1.00 27.37 C ATOM 964 CG ARG A 125 -10.311 29.767 3.431 1.00 32.23 C ATOM 965 CD ARG A 125 -11.411 30.751 3.278 1.00 35.84 C ATOM 966 NE ARG A 125 -11.323 31.767 4.363 1.00 39.78 N ATOM 967 CZ ARG A 125 -10.281 32.630 4.458 1.00 40.82 C ATOM 968 NH1 ARG A 125 -9.326 32.626 3.507 1.00 41.28 N ATOM 969 NH2 ARG A 125 -10.190 33.494 5.466 1.00 39.72 N ATOM 970 N GLY A 126 -11.686 25.852 1.669 1.00 23.66 N ATOM 971 CA GLY A 126 -11.807 24.786 0.695 1.00 23.27 C ATOM 972 C GLY A 126 -12.024 23.407 1.257 1.00 23.95 C ATOM 973 O GLY A 126 -12.211 22.440 0.467 1.00 24.20 O ATOM 974 N CYS A 127 -11.989 23.238 2.581 1.00 23.67 N ATOM 975 CA CYS A 127 -12.165 21.899 3.170 1.00 22.95 C ATOM 976 C CYS A 127 -13.636 21.536 3.314 1.00 24.07 C ATOM 977 O CYS A 127 -14.468 22.406 3.608 1.00 24.44 O ATOM 978 CB CYS A 127 -11.459 21.702 4.512 1.00 20.07 C ATOM 979 SG CYS A 127 -9.742 22.252 4.508 1.00 19.23 S ATOM 980 N ARG A 128 -13.894 20.257 3.180 1.00 25.48 N ATOM 981 CA ARG A 128 -15.268 19.737 3.340 1.00 28.34 C ATOM 982 C ARG A 128 -15.376 19.286 4.792 1.00 29.60 C ATOM 983 O ARG A 128 -14.934 18.164 5.095 1.00 31.04 O ATOM 984 CB ARG A 128 -15.516 18.600 2.377 1.00 29.36 C ATOM 985 CG ARG A 128 -16.916 18.103 2.167 1.00 31.87 C ATOM 986 CD ARG A 128 -16.968 16.963 1.192 1.00 35.03 C ATOM 987 NE ARG A 128 -16.069 17.171 0.065 1.00 38.31 N ATOM 988 CZ ARG A 128 -15.549 16.236 -0.733 1.00 39.30 C ATOM 989 NH1 ARG A 128 -15.840 14.944 -0.541 1.00 40.74 N ATOM 990 NH2 ARG A 128 -14.741 16.592 -1.740 1.00 39.16 N ATOM 991 N LEU A 129 -15.929 20.125 5.637 1.00 31.75 N ATOM 992 CA LEU A 129 -16.087 19.860 7.079 1.00 33.92 C ATOM 993 C LEU A 129 -17.500 19.670 7.633 1.00 35.71 C ATOM 994 O LEU A 129 -18.513 20.147 7.045 1.00 36.95 O ATOM 995 CB LEU A 129 -15.279 20.983 7.798 1.00 32.51 C ATOM 996 CG LEU A 129 -13.777 20.982 7.580 1.00 32.74 C ATOM 997 CD1 LEU A 129 -13.133 22.282 8.065 1.00 33.56 C ATOM 998 CD2 LEU A 129 -13.109 19.819 8.311 1.00 32.12 C ATOM 999 OXT LEU A 129 -17.649 19.019 8.715 1.00 37.80 O TER 1000 LEU A 129 HETATM 1001 O HOH A 200 2.777 10.373 5.575 1.00 26.01 O HETATM 1002 O HOH A 201 -2.625 32.496 9.581 1.00 27.44 O HETATM 1003 O HOH A 202 4.188 32.974 9.512 1.00 23.10 O HETATM 1004 O HOH A 203 5.916 11.089 9.469 1.00 20.80 O HETATM 1005 O HOH A 204 1.527 33.608 9.692 1.00 18.34 O HETATM 1006 O HOH A 205 8.401 17.958 10.622 1.00 22.98 O HETATM 1007 O HOH A 206 -11.287 29.119 11.900 1.00 11.12 O HETATM 1008 O HOH A 207 7.581 28.568 14.003 1.00 18.27 O HETATM 1009 O HOH A 208 11.694 13.236 15.086 1.00 14.50 O HETATM 1010 O HOH A 209 -0.475 11.887 16.909 1.00 24.92 O HETATM 1011 O HOH A 210 -11.409 31.667 17.894 1.00 17.23 O HETATM 1012 O HOH A 211 9.217 22.513 18.867 1.00 23.95 O HETATM 1013 O HOH A 212 -1.128 11.186 19.086 1.00 14.48 O HETATM 1014 O HOH A 213 4.882 37.699 19.008 1.00 32.07 O HETATM 1015 O HOH A 214 -3.182 8.219 19.820 1.00 22.07 O HETATM 1016 O HOH A 215 1.661 16.554 19.690 1.00 7.55 O HETATM 1017 O HOH A 216 15.079 25.790 23.615 1.00 31.35 O HETATM 1018 O HOH A 217 -8.245 31.758 26.197 1.00 5.00 O HETATM 1019 O HOH A 218 13.937 15.009 26.667 1.00 11.59 O HETATM 1020 O HOH A 219 -6.446 28.636 29.646 1.00 26.52 O HETATM 1021 O HOH A 220 -2.248 27.407 28.478 1.00 26.43 O HETATM 1022 O HOH A 221 9.807 13.013 31.029 1.00 12.81 O HETATM 1023 O HOH A 222 10.438 6.212 31.215 1.00 16.85 O HETATM 1024 O HOH A 223 7.949 14.505 31.855 1.00 14.58 O HETATM 1025 O HOH A 224 11.735 11.762 33.061 1.00 13.36 O HETATM 1026 O HOH A 225 -12.067 18.200 2.228 1.00 46.25 O HETATM 1027 O HOH A 226 -5.523 19.311 2.185 1.00 26.15 O HETATM 1028 O HOH A 227 -14.386 24.782 5.508 1.00 49.11 O HETATM 1029 O HOH A 228 -1.412 12.033 4.854 1.00 39.48 O HETATM 1030 O HOH A 229 -11.930 18.338 5.386 1.00 43.46 O HETATM 1031 O HOH A 230 -3.398 29.988 5.136 1.00 47.09 O HETATM 1032 O HOH A 231 5.592 33.199 7.181 1.00 31.78 O HETATM 1033 O HOH A 232 -3.765 37.228 7.912 1.00 35.83 O HETATM 1034 O HOH A 233 -14.496 15.028 11.125 1.00 33.38 O HETATM 1035 O HOH A 234 10.045 18.947 12.767 1.00 28.51 O HETATM 1036 O HOH A 235 -0.945 39.028 13.695 1.00 40.53 O HETATM 1037 O HOH A 236 -7.413 38.655 16.309 1.00 40.09 O HETATM 1038 O HOH A 237 0.729 36.142 14.977 1.00 25.67 O HETATM 1039 O HOH A 238 1.573 4.688 15.955 1.00 47.90 O HETATM 1040 O HOH A 239 -9.841 33.240 15.782 1.00 28.80 O HETATM 1041 O HOH A 240 -14.867 20.107 16.782 1.00 22.48 O HETATM 1042 O HOH A 241 1.255 13.533 16.996 1.00 34.90 O HETATM 1043 O HOH A 242 16.349 18.704 18.288 1.00 29.47 O HETATM 1044 O HOH A 243 5.922 4.270 19.364 1.00 33.40 O HETATM 1045 O HOH A 244 7.592 24.792 19.784 1.00 29.74 O HETATM 1046 O HOH A 245 -15.138 32.245 20.677 1.00 38.07 O HETATM 1047 O HOH A 246 -0.866 7.172 20.422 1.00 23.07 O HETATM 1048 O HOH A 247 7.381 4.175 24.594 1.00 32.54 O HETATM 1049 O HOH A 248 3.931 21.535 25.392 1.00 19.02 O HETATM 1050 O HOH A 249 -3.196 11.970 25.989 1.00 25.36 O HETATM 1051 O HOH A 250 -14.592 24.096 25.552 1.00 34.49 O HETATM 1052 O HOH A 251 7.670 12.331 33.455 1.00 29.07 O HETATM 1053 O HOH A 252 7.766 20.137 35.721 1.00 48.07 O HETATM 1054 O HOH A 253 -5.929 16.939 2.818 1.00 18.55 O HETATM 1055 O HOH A 254 -2.977 7.580 6.875 1.00 32.02 O HETATM 1056 O HOH A 255 5.896 24.713 8.445 1.00 40.71 O HETATM 1057 O HOH A 256 -6.281 10.725 13.758 1.00 39.62 O HETATM 1058 O HOH A 257 -8.007 9.629 14.951 1.00 44.86 O HETATM 1059 O HOH A 258 -7.217 35.452 14.972 1.00 31.33 O HETATM 1060 O HOH A 259 5.474 26.442 22.557 1.00 31.88 O HETATM 1061 O HOH A 260 2.673 23.560 24.597 1.00 31.27 O HETATM 1062 O HOH A 261 14.280 25.089 27.346 1.00 32.45 O HETATM 1063 O HOH A 262 6.937 6.073 29.874 1.00 37.46 O HETATM 1064 O HOH A 263 14.438 7.647 33.731 1.00 41.71 O HETATM 1065 O HOH A 264 15.507 17.976 32.678 1.00 44.55 O HETATM 1066 O HOH A 265 1.071 11.411 36.009 1.00 39.73 O HETATM 1067 O HOH A 266 -1.840 20.423 3.189 1.00 35.63 O HETATM 1068 O HOH A 267 -12.697 31.393 12.331 1.00 44.55 O HETATM 1069 O HOH A 268 8.431 23.835 15.292 1.00 37.74 O HETATM 1070 O HOH A 269 -4.557 39.283 18.421 1.00 32.79 O HETATM 1071 O HOH A 270 7.563 26.309 15.508 1.00 33.38 O HETATM 1072 O HOH A 271 -5.031 9.350 24.913 1.00 42.01 O HETATM 1073 O HOH A 272 8.734 23.878 23.930 1.00 39.00 O HETATM 1074 O HOH A 273 -4.487 13.636 28.451 1.00 39.44 O HETATM 1075 O HOH A 274 4.762 6.665 30.918 1.00 37.85 O HETATM 1076 O HOH A 275 5.718 9.543 34.821 1.00 42.71 O HETATM 1077 O HOH A 276 3.425 7.310 10.560 1.00 39.41 O HETATM 1078 O HOH A 277 9.230 20.742 14.013 1.00 36.73 O HETATM 1079 O HOH A 278 10.463 23.193 29.122 1.00 37.57 O CONECT 48 979 CONECT 238 887 CONECT 511 628 CONECT 599 722 CONECT 628 511 CONECT 722 599 CONECT 887 238 CONECT 979 48 MASTER 279 0 0 4 5 10 0 6 1078 1 8 10 END