HEADER HYDROLASE 10-APR-07 2YVB TITLE HIGH RESOLUTION X-RAY CRYSTAL STRUCTURE OF TETRAGONAL HEN TITLE 2 EGG WHITE LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D 4, COMPND 5 GAL D IV; COMPND 6 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELLULAR_LOCATION: EGG WHITE KEYWDS HEN EGG WHITE LYSOZYME, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR M.D.NARESH,S.M.JAIMOHAN,V.V.KUMAR REVDAT 2 24-FEB-09 2YVB 1 VERSN REVDAT 1 24-APR-07 2YVB 0 JRNL AUTH M.D.NARESH,S.M.JAIMOHAN,V.V.KUMAR JRNL TITL HIGH RESOLUTION X-RAY CRYSTAL STRUCTURE OF JRNL TITL 2 TETRAGONAL HEN EGG WHITE LYSOZYME JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.62 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.62 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.10 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 15495 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.231 REMARK 3 R VALUE (WORKING SET) : 0.229 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 789 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.62 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.66 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1080 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.4510 REMARK 3 BIN FREE R VALUE SET COUNT : 67 REMARK 3 BIN FREE R VALUE : 0.4610 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 : 81 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.87 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.87 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.39000 REMARK 3 B22 (A**2) : -0.39000 REMARK 3 B33 (A**2) : 0.77000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.120 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.123 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.175 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.280 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.956 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.914 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1025 ; 0.030 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 883 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1388 ; 2.593 ; 1.906 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2043 ; 1.366 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 128 ; 4.989 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 172 ;15.650 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 144 ; 0.168 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1172 ; 0.017 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 229 ; 0.005 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 233 ; 0.236 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 853 ; 0.220 ; 0.300 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 62 ; 0.203 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 7 ; 0.453 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): 11 ; 0.493 ; 0.300 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 6 ; 0.506 ; 0.500 REMARK 3 SYMMETRY H-BOND OTHERS (A): 2 ; 0.207 ; 0.500 REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 635 ; 1.951 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1007 ; 2.677 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 390 ; 3.999 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 381 ; 5.972 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2YVB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-APR-07. REMARK 100 THE RCSB ID CODE IS RCSB027179. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 4.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : AUTOMAR REMARK 200 DATA SCALING SOFTWARE : AUTOMAR REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15495 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.620 REMARK 200 RESOLUTION RANGE LOW (A) : 55.900 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6 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) : 1.62 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : 98.6 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 193L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.83 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.04N NAOAC/HOAC BUFFER, PH 4.7, REMARK 280 VAPOR DIFFUSION, TEMPERATURE 293K 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 18.93350 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.67050 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.67050 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.40025 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.67050 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.67050 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.46675 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.67050 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.67050 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.40025 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.67050 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.67050 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.46675 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 18.93350 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 IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ARG A 73 O HOH A 190 2.11 REMARK 500 REMARK 500 REMARK: NULL 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 181 O HOH A 181 7465 1.74 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 7 CD GLU A 7 OE1 -0.076 REMARK 500 ALA A 10 C ALA A 10 O 0.126 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 11.3 DEGREES REMARK 500 LYS A 33 N - CA - CB ANGL. DEV. = 10.9 DEGREES REMARK 500 PHE A 38 CB - CG - CD1 ANGL. DEV. = 4.7 DEGREES REMARK 500 ASP A 48 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = 6.7 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = -3.1 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 26.46 -140.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 TYR A 20 10.44 REMARK 500 CYS A 115 11.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 193L RELATED DB: PDB REMARK 900 THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME DBREF 2YVB 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 *81(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 ASN A 19 TYR A 23 5 5 HELIX 3 3 SER A 24 ASN A 37 1 14 HELIX 4 4 PRO A 79 SER A 85 5 7 HELIX 5 5 ILE A 88 SER A 100 1 13 HELIX 6 6 ASN A 103 ALA A 107 5 5 HELIX 7 7 TRP A 108 CYS A 115 1 8 HELIX 8 8 ASP A 119 ILE A 124 5 6 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.01 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.09 SSBOND 4 CYS A 76 CYS A 94 1555 1555 1.94 CRYST1 79.341 79.341 37.867 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 0.012604 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012604 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026408 0.00000 ATOM 1 N LYS A 1 -3.353 69.139 -8.726 1.00 24.08 N ATOM 2 CA LYS A 1 -2.454 68.760 -9.855 1.00 24.19 C ATOM 3 C LYS A 1 -2.490 67.218 -10.059 1.00 23.89 C ATOM 4 O LYS A 1 -2.433 66.413 -9.084 1.00 24.26 O ATOM 5 CB LYS A 1 -1.010 69.223 -9.517 1.00 25.60 C ATOM 6 CG LYS A 1 -0.027 68.817 -10.426 1.00 27.68 C ATOM 7 CD LYS A 1 1.388 69.270 -10.111 1.00 32.07 C ATOM 8 CE LYS A 1 2.345 68.606 -11.060 1.00 32.17 C ATOM 9 NZ LYS A 1 3.583 69.369 -11.080 1.00 36.12 N ATOM 10 N VAL A 2 -2.576 66.803 -11.312 1.00 23.26 N ATOM 11 CA VAL A 2 -2.433 65.437 -11.653 1.00 22.93 C ATOM 12 C VAL A 2 -0.994 65.220 -12.133 1.00 23.06 C ATOM 13 O VAL A 2 -0.546 65.809 -13.186 1.00 25.90 O ATOM 14 CB VAL A 2 -3.493 64.971 -12.672 1.00 21.38 C ATOM 15 CG1 VAL A 2 -3.311 63.557 -13.016 1.00 24.96 C ATOM 16 CG2 VAL A 2 -4.944 65.153 -12.124 1.00 25.27 C ATOM 17 N PHE A 3 -0.240 64.476 -11.385 1.00 21.54 N ATOM 18 CA PHE A 3 1.177 64.172 -11.767 1.00 23.71 C ATOM 19 C PHE A 3 1.236 63.128 -12.846 1.00 24.45 C ATOM 20 O PHE A 3 0.434 62.204 -12.925 1.00 23.51 O ATOM 21 CB PHE A 3 1.977 63.602 -10.547 1.00 25.47 C ATOM 22 CG PHE A 3 2.495 64.655 -9.625 1.00 21.35 C ATOM 23 CD1 PHE A 3 1.696 65.270 -8.667 1.00 22.43 C ATOM 24 CD2 PHE A 3 3.817 65.070 -9.715 1.00 27.92 C ATOM 25 CE1 PHE A 3 2.229 66.245 -7.800 1.00 25.05 C ATOM 26 CE2 PHE A 3 4.344 66.052 -8.882 1.00 24.05 C ATOM 27 CZ PHE A 3 3.501 66.688 -7.936 1.00 23.37 C ATOM 28 N GLY A 4 2.377 63.111 -13.537 1.00 28.92 N ATOM 29 CA GLY A 4 2.623 62.002 -14.437 1.00 27.57 C ATOM 30 C GLY A 4 3.450 61.040 -13.559 1.00 26.46 C ATOM 31 O GLY A 4 3.985 61.475 -12.518 1.00 24.41 O ATOM 32 N ARG A 5 3.650 59.818 -14.025 1.00 27.00 N ATOM 33 CA ARG A 5 4.222 58.750 -13.264 1.00 26.42 C ATOM 34 C ARG A 5 5.662 59.125 -12.957 1.00 25.84 C ATOM 35 O ARG A 5 6.125 59.119 -11.779 1.00 23.41 O ATOM 36 CB ARG A 5 4.067 57.458 -14.115 1.00 26.16 C ATOM 37 CG ARG A 5 4.714 56.300 -13.552 1.00 27.45 C ATOM 38 CD ARG A 5 4.456 54.981 -14.306 1.00 30.41 C ATOM 39 NE ARG A 5 5.031 55.018 -15.644 1.00 30.82 N ATOM 40 CZ ARG A 5 6.364 54.838 -15.922 1.00 34.21 C ATOM 41 NH1 ARG A 5 7.270 54.539 -14.985 1.00 33.53 N ATOM 42 NH2 ARG A 5 6.793 54.917 -17.164 1.00 36.75 N ATOM 43 N CYS A 6 6.452 59.386 -14.023 1.00 26.40 N ATOM 44 CA CYS A 6 7.867 59.755 -13.786 1.00 27.05 C ATOM 45 C CYS A 6 7.988 61.118 -13.058 1.00 25.35 C ATOM 46 O CYS A 6 8.921 61.323 -12.248 1.00 28.15 O ATOM 47 CB CYS A 6 8.836 59.684 -15.021 1.00 28.44 C ATOM 48 SG CYS A 6 8.710 58.085 -15.833 1.00 29.38 S ATOM 49 N GLU A 7 7.125 62.117 -13.350 1.00 23.93 N ATOM 50 CA GLU A 7 7.232 63.357 -12.637 1.00 23.37 C ATOM 51 C GLU A 7 7.070 63.110 -11.126 1.00 23.21 C ATOM 52 O GLU A 7 7.849 63.689 -10.355 1.00 20.35 O ATOM 53 CB GLU A 7 6.083 64.205 -13.090 1.00 24.07 C ATOM 54 CG GLU A 7 6.147 65.593 -12.563 1.00 25.17 C ATOM 55 CD GLU A 7 4.980 66.445 -13.015 1.00 22.46 C ATOM 56 OE1 GLU A 7 4.055 65.890 -13.483 1.00 30.01 O ATOM 57 OE2 GLU A 7 4.992 67.699 -12.865 1.00 27.96 O ATOM 58 N LEU A 8 6.081 62.263 -10.748 1.00 21.88 N ATOM 59 CA LEU A 8 5.880 61.927 -9.362 1.00 21.82 C ATOM 60 C LEU A 8 7.067 61.182 -8.749 1.00 20.20 C ATOM 61 O LEU A 8 7.457 61.502 -7.619 1.00 22.38 O ATOM 62 CB LEU A 8 4.525 61.222 -9.154 1.00 21.02 C ATOM 63 CG LEU A 8 4.238 60.876 -7.682 1.00 22.51 C ATOM 64 CD1 LEU A 8 4.035 62.206 -6.845 1.00 26.98 C ATOM 65 CD2 LEU A 8 2.999 59.986 -7.597 1.00 29.66 C ATOM 66 N ALA A 9 7.605 60.157 -9.436 1.00 23.57 N ATOM 67 CA ALA A 9 8.766 59.377 -8.993 1.00 22.76 C ATOM 68 C ALA A 9 9.907 60.307 -8.636 1.00 21.83 C ATOM 69 O ALA A 9 10.435 60.262 -7.541 1.00 24.59 O ATOM 70 CB ALA A 9 9.189 58.324 -10.052 1.00 25.29 C ATOM 71 N ALA A 10 10.122 61.311 -9.502 1.00 23.31 N ATOM 72 CA ALA A 10 11.175 62.279 -9.289 1.00 25.35 C ATOM 73 C ALA A 10 10.957 63.157 -7.962 1.00 24.07 C ATOM 74 O ALA A 10 11.744 63.305 -6.869 1.00 28.39 O ATOM 75 CB ALA A 10 11.348 63.074 -10.616 1.00 25.77 C ATOM 76 N ALA A 11 9.735 63.608 -7.947 1.00 24.94 N ATOM 77 CA ALA A 11 9.327 64.428 -6.860 1.00 24.65 C ATOM 78 C ALA A 11 9.554 63.733 -5.496 1.00 23.13 C ATOM 79 O ALA A 11 10.287 64.219 -4.590 1.00 22.63 O ATOM 80 CB ALA A 11 7.861 64.881 -7.122 1.00 26.74 C ATOM 81 N MET A 12 9.137 62.441 -5.469 1.00 22.23 N ATOM 82 CA MET A 12 9.233 61.612 -4.270 1.00 23.35 C ATOM 83 C MET A 12 10.665 61.383 -3.853 1.00 24.85 C ATOM 84 O MET A 12 11.033 61.576 -2.671 1.00 25.81 O ATOM 85 CB MET A 12 8.494 60.363 -4.503 1.00 22.72 C ATOM 86 CG MET A 12 7.014 60.618 -4.402 1.00 24.06 C ATOM 87 SD MET A 12 6.097 59.074 -4.648 1.00 26.17 S ATOM 88 CE MET A 12 4.699 59.421 -3.721 1.00 27.39 C ATOM 89 N LYS A 13 11.477 61.195 -4.880 1.00 25.05 N ATOM 90 CA LYS A 13 12.902 60.819 -4.746 1.00 26.63 C ATOM 91 C LYS A 13 13.604 62.002 -4.168 1.00 25.73 C ATOM 92 O LYS A 13 14.437 61.884 -3.292 1.00 24.20 O ATOM 93 CB LYS A 13 13.498 60.443 -6.101 1.00 27.94 C ATOM 94 CG LYS A 13 14.957 60.002 -6.062 1.00 31.27 C ATOM 95 CD LYS A 13 15.277 59.053 -7.240 1.00 33.81 C ATOM 96 CE LYS A 13 16.724 58.512 -7.176 1.00 38.59 C ATOM 97 NZ LYS A 13 17.718 59.534 -7.643 1.00 43.03 N ATOM 98 N ARG A 14 13.284 63.196 -4.677 1.00 26.23 N ATOM 99 CA ARG A 14 13.952 64.392 -4.221 1.00 27.53 C ATOM 100 C ARG A 14 13.554 64.658 -2.808 1.00 27.35 C ATOM 101 O ARG A 14 14.331 65.169 -2.050 1.00 28.52 O ATOM 102 CB ARG A 14 13.459 65.536 -5.042 1.00 28.84 C ATOM 103 CG ARG A 14 14.440 66.563 -5.292 1.00 35.07 C ATOM 104 CD ARG A 14 14.013 67.976 -4.984 1.00 40.18 C ATOM 105 NE ARG A 14 12.651 68.338 -5.396 1.00 40.09 N ATOM 106 CZ ARG A 14 12.027 69.438 -4.950 1.00 40.57 C ATOM 107 NH1 ARG A 14 12.673 70.202 -4.084 1.00 42.70 N ATOM 108 NH2 ARG A 14 10.769 69.751 -5.314 1.00 44.29 N ATOM 109 N HIS A 15 12.326 64.267 -2.482 1.00 26.53 N ATOM 110 CA HIS A 15 11.844 64.393 -1.104 1.00 27.01 C ATOM 111 C HIS A 15 12.295 63.289 -0.180 1.00 26.04 C ATOM 112 O HIS A 15 11.815 63.257 0.942 1.00 28.00 O ATOM 113 CB HIS A 15 10.372 64.580 -0.984 1.00 26.88 C ATOM 114 CG HIS A 15 9.945 65.960 -1.303 1.00 30.05 C ATOM 115 ND1 HIS A 15 9.617 66.334 -2.592 1.00 34.81 N ATOM 116 CD2 HIS A 15 9.784 67.071 -0.542 1.00 31.77 C ATOM 117 CE1 HIS A 15 9.247 67.601 -2.601 1.00 34.58 C ATOM 118 NE2 HIS A 15 9.353 68.073 -1.381 1.00 37.28 N ATOM 119 N GLY A 16 13.183 62.382 -0.633 1.00 26.34 N ATOM 120 CA GLY A 16 13.782 61.362 0.230 1.00 27.53 C ATOM 121 C GLY A 16 12.948 60.076 0.539 1.00 28.58 C ATOM 122 O GLY A 16 13.193 59.409 1.549 1.00 29.27 O ATOM 123 N LEU A 17 11.983 59.705 -0.325 1.00 25.91 N ATOM 124 CA LEU A 17 11.136 58.557 -0.178 1.00 27.05 C ATOM 125 C LEU A 17 11.766 57.257 -0.717 1.00 26.54 C ATOM 126 O LEU A 17 11.360 56.100 -0.345 1.00 25.18 O ATOM 127 CB LEU A 17 9.762 58.846 -0.813 1.00 26.34 C ATOM 128 CG LEU A 17 8.764 59.583 0.100 1.00 27.43 C ATOM 129 CD1 LEU A 17 7.409 59.525 -0.581 1.00 25.51 C ATOM 130 CD2 LEU A 17 8.659 59.063 1.539 1.00 25.16 C ATOM 131 N ASP A 18 12.759 57.373 -1.596 1.00 23.55 N ATOM 132 CA ASP A 18 13.362 56.163 -2.145 1.00 27.46 C ATOM 133 C ASP A 18 14.100 55.445 -1.083 1.00 25.91 C ATOM 134 O ASP A 18 15.020 56.001 -0.482 1.00 27.27 O ATOM 135 CB ASP A 18 14.265 56.393 -3.279 1.00 26.93 C ATOM 136 CG ASP A 18 14.681 55.127 -4.016 1.00 28.87 C ATOM 137 OD1 ASP A 18 14.109 53.929 -4.029 1.00 30.26 O ATOM 138 OD2 ASP A 18 15.744 55.234 -4.710 1.00 39.72 O ATOM 139 N ASN A 19 13.644 54.227 -0.841 1.00 27.32 N ATOM 140 CA ASN A 19 14.130 53.385 0.236 1.00 26.60 C ATOM 141 C ASN A 19 13.888 53.892 1.683 1.00 24.88 C ATOM 142 O ASN A 19 14.598 53.463 2.605 1.00 24.71 O ATOM 143 CB ASN A 19 15.582 53.081 0.029 1.00 29.24 C ATOM 144 CG ASN A 19 15.904 52.627 -1.398 1.00 30.27 C ATOM 145 OD1 ASN A 19 15.367 51.623 -1.897 1.00 39.98 O ATOM 146 ND2 ASN A 19 16.786 53.371 -2.070 1.00 41.19 N ATOM 147 N TYR A 20 12.960 54.842 1.867 1.00 23.12 N ATOM 148 CA TYR A 20 12.563 55.313 3.207 1.00 21.13 C ATOM 149 C TYR A 20 11.832 54.192 3.998 1.00 21.66 C ATOM 150 O TYR A 20 11.030 53.512 3.484 1.00 22.90 O ATOM 151 CB TYR A 20 11.705 56.555 3.142 1.00 20.31 C ATOM 152 CG TYR A 20 11.524 57.161 4.515 1.00 21.21 C ATOM 153 CD1 TYR A 20 12.495 58.039 5.025 1.00 26.92 C ATOM 154 CD2 TYR A 20 10.446 56.757 5.330 1.00 25.88 C ATOM 155 CE1 TYR A 20 12.341 58.572 6.276 1.00 29.70 C ATOM 156 CE2 TYR A 20 10.247 57.278 6.561 1.00 25.86 C ATOM 157 CZ TYR A 20 11.205 58.165 7.047 1.00 28.27 C ATOM 158 OH TYR A 20 11.205 58.744 8.271 1.00 32.18 O ATOM 159 N ARG A 21 12.555 53.849 5.096 1.00 26.09 N ATOM 160 CA ARG A 21 12.168 52.696 5.951 1.00 27.81 C ATOM 161 C ARG A 21 12.212 51.374 5.167 1.00 26.50 C ATOM 162 O ARG A 21 11.347 50.465 5.350 1.00 26.01 O ATOM 163 CB ARG A 21 10.763 52.840 6.495 1.00 28.85 C ATOM 164 CG ARG A 21 10.653 53.908 7.522 1.00 32.32 C ATOM 165 CD ARG A 21 11.275 53.604 8.798 1.00 40.19 C ATOM 166 NE ARG A 21 11.585 54.859 9.478 1.00 46.69 N ATOM 167 CZ ARG A 21 11.622 55.014 10.790 1.00 49.80 C ATOM 168 NH1 ARG A 21 11.367 53.986 11.596 1.00 50.74 N ATOM 169 NH2 ARG A 21 11.881 56.226 11.289 1.00 53.28 N ATOM 170 N GLY A 22 13.050 51.337 4.166 1.00 26.83 N ATOM 171 CA GLY A 22 13.219 50.147 3.360 1.00 26.51 C ATOM 172 C GLY A 22 12.253 50.022 2.186 1.00 26.41 C ATOM 173 O GLY A 22 12.327 49.036 1.475 1.00 26.26 O ATOM 174 N TYR A 23 11.362 50.990 1.961 1.00 24.46 N ATOM 175 CA TYR A 23 10.494 50.940 0.782 1.00 23.35 C ATOM 176 C TYR A 23 11.027 51.574 -0.442 1.00 20.65 C ATOM 177 O TYR A 23 11.227 52.804 -0.450 1.00 20.10 O ATOM 178 CB TYR A 23 9.030 51.408 1.109 1.00 22.82 C ATOM 179 CG TYR A 23 8.413 50.634 2.186 1.00 19.29 C ATOM 180 CD1 TYR A 23 7.620 49.590 1.855 1.00 18.98 C ATOM 181 CD2 TYR A 23 8.614 50.911 3.522 1.00 19.74 C ATOM 182 CE1 TYR A 23 6.948 48.806 2.828 1.00 22.53 C ATOM 183 CE2 TYR A 23 8.084 50.100 4.500 1.00 21.61 C ATOM 184 CZ TYR A 23 7.223 49.044 4.170 1.00 17.93 C ATOM 185 OH TYR A 23 6.546 48.233 5.139 1.00 20.75 O ATOM 186 N SER A 24 11.318 50.734 -1.437 1.00 21.93 N ATOM 187 CA SER A 24 11.842 51.248 -2.672 1.00 23.01 C ATOM 188 C SER A 24 10.789 52.249 -3.286 1.00 23.42 C ATOM 189 O SER A 24 9.558 52.128 -3.021 1.00 21.44 O ATOM 190 CB SER A 24 12.126 50.195 -3.701 1.00 21.45 C ATOM 191 OG SER A 24 10.966 49.472 -4.067 1.00 25.27 O ATOM 192 N LEU A 25 11.345 53.179 -4.076 1.00 22.52 N ATOM 193 CA LEU A 25 10.507 54.143 -4.753 1.00 20.14 C ATOM 194 C LEU A 25 9.226 53.661 -5.484 1.00 15.45 C ATOM 195 O LEU A 25 8.174 54.283 -5.442 1.00 18.30 O ATOM 196 CB LEU A 25 11.366 54.898 -5.779 1.00 20.39 C ATOM 197 CG LEU A 25 10.847 56.206 -6.259 1.00 25.39 C ATOM 198 CD1 LEU A 25 10.599 57.257 -5.090 1.00 30.74 C ATOM 199 CD2 LEU A 25 11.825 56.996 -7.150 1.00 27.54 C ATOM 200 N GLY A 26 9.360 52.561 -6.208 1.00 17.17 N ATOM 201 CA GLY A 26 8.270 51.811 -6.851 1.00 18.77 C ATOM 202 C GLY A 26 7.052 51.566 -5.968 1.00 17.61 C ATOM 203 O GLY A 26 5.914 51.821 -6.405 1.00 23.04 O ATOM 204 N ASN A 27 7.296 51.271 -4.690 1.00 17.83 N ATOM 205 CA ASN A 27 6.215 51.129 -3.724 1.00 22.05 C ATOM 206 C ASN A 27 5.321 52.447 -3.564 1.00 17.99 C ATOM 207 O ASN A 27 4.139 52.452 -3.703 1.00 19.35 O ATOM 208 CB ASN A 27 6.721 50.660 -2.387 1.00 21.23 C ATOM 209 CG ASN A 27 7.141 49.122 -2.405 1.00 18.06 C ATOM 210 OD1 ASN A 27 6.315 48.184 -2.424 1.00 19.78 O ATOM 211 ND2 ASN A 27 8.488 48.912 -2.547 1.00 25.28 N ATOM 212 N TRP A 28 5.990 53.555 -3.324 1.00 18.58 N ATOM 213 CA TRP A 28 5.369 54.896 -3.102 1.00 17.45 C ATOM 214 C TRP A 28 4.588 55.275 -4.329 1.00 19.27 C ATOM 215 O TRP A 28 3.455 55.565 -4.232 1.00 18.28 O ATOM 216 CB TRP A 28 6.471 55.864 -2.697 1.00 17.91 C ATOM 217 CG TRP A 28 7.100 55.468 -1.407 1.00 19.86 C ATOM 218 CD1 TRP A 28 8.322 54.971 -1.271 1.00 21.15 C ATOM 219 CD2 TRP A 28 6.556 55.557 -0.120 1.00 25.69 C ATOM 220 NE1 TRP A 28 8.624 54.730 0.041 1.00 24.18 N ATOM 221 CE2 TRP A 28 7.560 55.146 0.775 1.00 20.23 C ATOM 222 CE3 TRP A 28 5.343 56.065 0.402 1.00 27.49 C ATOM 223 CZ2 TRP A 28 7.423 55.184 2.133 1.00 24.14 C ATOM 224 CZ3 TRP A 28 5.154 56.004 1.756 1.00 25.30 C ATOM 225 CH2 TRP A 28 6.239 55.583 2.621 1.00 24.15 C ATOM 226 N VAL A 29 5.186 55.093 -5.526 1.00 17.44 N ATOM 227 CA VAL A 29 4.509 55.428 -6.783 1.00 19.63 C ATOM 228 C VAL A 29 3.258 54.588 -7.018 1.00 17.29 C ATOM 229 O VAL A 29 2.189 55.098 -7.355 1.00 18.03 O ATOM 230 CB VAL A 29 5.473 55.337 -7.983 1.00 18.40 C ATOM 231 CG1 VAL A 29 4.710 55.517 -9.275 1.00 22.56 C ATOM 232 CG2 VAL A 29 6.648 56.335 -7.822 1.00 21.35 C ATOM 233 N CYS A 30 3.420 53.336 -6.762 1.00 17.97 N ATOM 234 CA CYS A 30 2.345 52.268 -6.898 1.00 17.70 C ATOM 235 C CYS A 30 1.182 52.696 -5.940 1.00 17.08 C ATOM 236 O CYS A 30 0.016 52.686 -6.322 1.00 18.75 O ATOM 237 CB CYS A 30 2.841 50.831 -6.648 1.00 18.36 C ATOM 238 SG CYS A 30 1.514 49.669 -6.890 1.00 21.06 S ATOM 239 N ALA A 31 1.520 53.060 -4.698 1.00 18.86 N ATOM 240 CA ALA A 31 0.567 53.395 -3.651 1.00 19.57 C ATOM 241 C ALA A 31 -0.163 54.654 -4.080 1.00 16.95 C ATOM 242 O ALA A 31 -1.380 54.674 -4.025 1.00 18.08 O ATOM 243 CB ALA A 31 1.221 53.474 -2.401 1.00 20.01 C ATOM 244 N ALA A 32 0.544 55.655 -4.607 1.00 19.24 N ATOM 245 CA ALA A 32 -0.083 56.936 -5.085 1.00 21.13 C ATOM 246 C ALA A 32 -1.038 56.642 -6.234 1.00 17.82 C ATOM 247 O ALA A 32 -2.106 57.238 -6.318 1.00 18.75 O ATOM 248 CB ALA A 32 0.983 58.033 -5.478 1.00 21.11 C ATOM 249 N LYS A 33 -0.587 55.810 -7.147 1.00 17.57 N ATOM 250 CA LYS A 33 -1.331 55.304 -8.277 1.00 19.55 C ATOM 251 C LYS A 33 -2.742 54.841 -7.895 1.00 19.44 C ATOM 252 O LYS A 33 -3.766 55.429 -8.344 1.00 23.25 O ATOM 253 CB LYS A 33 -0.737 54.378 -9.223 1.00 20.04 C ATOM 254 CG LYS A 33 -1.643 53.982 -10.374 1.00 22.92 C ATOM 255 CD LYS A 33 -1.945 54.909 -11.451 1.00 30.53 C ATOM 256 CE LYS A 33 -2.849 54.270 -12.483 1.00 31.85 C ATOM 257 NZ LYS A 33 -3.266 55.171 -13.480 1.00 37.28 N ATOM 258 N PHE A 34 -2.851 53.903 -6.987 1.00 18.46 N ATOM 259 CA PHE A 34 -4.081 53.267 -6.639 1.00 19.71 C ATOM 260 C PHE A 34 -4.794 54.157 -5.567 1.00 20.09 C ATOM 261 O PHE A 34 -5.996 54.015 -5.437 1.00 23.93 O ATOM 262 CB PHE A 34 -3.779 51.876 -6.297 1.00 21.25 C ATOM 263 CG PHE A 34 -3.352 51.096 -7.514 1.00 20.74 C ATOM 264 CD1 PHE A 34 -4.115 51.182 -8.714 1.00 19.42 C ATOM 265 CD2 PHE A 34 -2.186 50.407 -7.517 1.00 24.77 C ATOM 266 CE1 PHE A 34 -3.718 50.464 -9.833 1.00 21.33 C ATOM 267 CE2 PHE A 34 -1.783 49.723 -8.634 1.00 22.14 C ATOM 268 CZ PHE A 34 -2.526 49.777 -9.792 1.00 23.02 C ATOM 269 N GLU A 35 -4.093 54.912 -4.742 1.00 17.41 N ATOM 270 CA GLU A 35 -4.833 55.655 -3.741 1.00 19.33 C ATOM 271 C GLU A 35 -5.572 56.880 -4.352 1.00 19.39 C ATOM 272 O GLU A 35 -6.715 57.223 -4.001 1.00 22.35 O ATOM 273 CB GLU A 35 -3.945 56.115 -2.595 1.00 17.74 C ATOM 274 CG GLU A 35 -3.373 55.095 -1.670 1.00 18.69 C ATOM 275 CD GLU A 35 -4.431 54.539 -0.768 1.00 24.18 C ATOM 276 OE1 GLU A 35 -5.536 55.135 -0.813 1.00 21.81 O ATOM 277 OE2 GLU A 35 -4.288 53.454 -0.150 1.00 27.71 O ATOM 278 N SER A 36 -4.883 57.543 -5.274 1.00 20.34 N ATOM 279 CA SER A 36 -5.388 58.842 -5.769 1.00 20.08 C ATOM 280 C SER A 36 -5.374 59.108 -7.279 1.00 18.20 C ATOM 281 O SER A 36 -5.775 60.165 -7.753 1.00 18.60 O ATOM 282 CB SER A 36 -4.546 59.896 -5.108 1.00 18.69 C ATOM 283 OG SER A 36 -3.255 60.013 -5.685 1.00 19.54 O ATOM 284 N ASN A 37 -4.855 58.136 -8.006 1.00 21.39 N ATOM 285 CA ASN A 37 -4.614 58.199 -9.440 1.00 22.21 C ATOM 286 C ASN A 37 -3.706 59.410 -9.727 1.00 19.91 C ATOM 287 O ASN A 37 -3.966 60.154 -10.595 1.00 23.79 O ATOM 288 CB ASN A 37 -5.914 58.261 -10.223 1.00 23.74 C ATOM 289 CG ASN A 37 -5.751 57.716 -11.620 1.00 31.53 C ATOM 290 OD1 ASN A 37 -4.829 56.935 -11.881 1.00 37.06 O ATOM 291 ND2 ASN A 37 -6.653 58.118 -12.543 1.00 39.68 N ATOM 292 N PHE A 38 -2.796 59.682 -8.832 1.00 20.02 N ATOM 293 CA PHE A 38 -1.769 60.683 -8.955 1.00 19.88 C ATOM 294 C PHE A 38 -2.345 62.099 -8.893 1.00 19.23 C ATOM 295 O PHE A 38 -1.787 63.037 -9.350 1.00 21.83 O ATOM 296 CB PHE A 38 -1.069 60.539 -10.239 1.00 19.84 C ATOM 297 CG PHE A 38 -0.259 59.322 -10.354 1.00 18.06 C ATOM 298 CD1 PHE A 38 0.433 58.712 -9.315 1.00 18.86 C ATOM 299 CD2 PHE A 38 -0.141 58.780 -11.605 1.00 22.35 C ATOM 300 CE1 PHE A 38 1.230 57.670 -9.515 1.00 23.54 C ATOM 301 CE2 PHE A 38 0.703 57.640 -11.815 1.00 25.02 C ATOM 302 CZ PHE A 38 1.377 57.111 -10.786 1.00 20.68 C ATOM 303 N ASN A 39 -3.521 62.248 -8.306 1.00 19.36 N ATOM 304 CA ASN A 39 -4.207 63.572 -8.213 1.00 18.88 C ATOM 305 C ASN A 39 -4.096 64.189 -6.812 1.00 16.08 C ATOM 306 O ASN A 39 -4.570 63.470 -5.864 1.00 19.40 O ATOM 307 CB ASN A 39 -5.674 63.344 -8.561 1.00 20.01 C ATOM 308 CG ASN A 39 -6.547 64.699 -8.559 1.00 20.65 C ATOM 309 OD1 ASN A 39 -6.014 65.792 -8.275 1.00 21.65 O ATOM 310 ND2 ASN A 39 -7.842 64.583 -8.948 1.00 26.26 N ATOM 311 N THR A 40 -3.337 65.227 -6.622 1.00 17.30 N ATOM 312 CA THR A 40 -3.208 65.829 -5.294 1.00 19.39 C ATOM 313 C THR A 40 -4.526 66.245 -4.604 1.00 17.53 C ATOM 314 O THR A 40 -4.573 66.422 -3.387 1.00 21.39 O ATOM 315 CB THR A 40 -2.231 67.024 -5.308 1.00 19.79 C ATOM 316 OG1 THR A 40 -2.755 68.119 -6.097 1.00 17.81 O ATOM 317 CG2 THR A 40 -0.889 66.629 -5.964 1.00 21.86 C ATOM 318 N GLN A 41 -5.525 66.533 -5.405 1.00 19.88 N ATOM 319 CA GLN A 41 -6.787 67.033 -4.877 1.00 21.42 C ATOM 320 C GLN A 41 -7.798 65.972 -4.454 1.00 21.84 C ATOM 321 O GLN A 41 -8.923 66.291 -4.010 1.00 19.90 O ATOM 322 CB GLN A 41 -7.377 67.986 -5.917 1.00 24.41 C ATOM 323 CG GLN A 41 -6.473 69.170 -6.291 1.00 23.42 C ATOM 324 CD GLN A 41 -7.282 70.239 -6.945 1.00 23.17 C ATOM 325 OE1 GLN A 41 -8.013 70.933 -6.232 1.00 25.34 O ATOM 326 NE2 GLN A 41 -7.152 70.452 -8.246 1.00 23.64 N ATOM 327 N ALA A 42 -7.408 64.669 -4.530 1.00 20.43 N ATOM 328 CA ALA A 42 -8.305 63.509 -4.272 1.00 20.83 C ATOM 329 C ALA A 42 -8.819 63.587 -2.788 1.00 18.25 C ATOM 330 O ALA A 42 -8.073 63.836 -1.824 1.00 17.00 O ATOM 331 CB ALA A 42 -7.557 62.154 -4.625 1.00 21.19 C ATOM 332 N THR A 43 -10.130 63.542 -2.645 1.00 18.88 N ATOM 333 CA THR A 43 -10.716 63.377 -1.311 1.00 18.80 C ATOM 334 C THR A 43 -11.699 62.146 -1.353 1.00 19.55 C ATOM 335 O THR A 43 -12.356 61.836 -2.364 1.00 21.05 O ATOM 336 CB THR A 43 -11.419 64.641 -0.857 1.00 20.37 C ATOM 337 OG1 THR A 43 -12.499 64.957 -1.763 1.00 20.56 O ATOM 338 CG2 THR A 43 -10.441 65.790 -0.739 1.00 22.33 C ATOM 339 N ASN A 44 -11.815 61.441 -0.250 1.00 19.60 N ATOM 340 CA ASN A 44 -12.736 60.292 -0.090 1.00 23.11 C ATOM 341 C ASN A 44 -13.238 60.180 1.345 1.00 22.50 C ATOM 342 O ASN A 44 -12.386 60.171 2.266 1.00 22.55 O ATOM 343 CB ASN A 44 -11.911 59.079 -0.475 1.00 23.68 C ATOM 344 CG ASN A 44 -11.755 58.995 -1.940 1.00 30.26 C ATOM 345 OD1 ASN A 44 -10.652 59.109 -2.473 1.00 36.31 O ATOM 346 ND2 ASN A 44 -12.896 58.894 -2.630 1.00 27.72 N ATOM 347 N ARG A 45 -14.574 60.112 1.525 1.00 22.05 N ATOM 348 CA ARG A 45 -15.196 60.045 2.850 1.00 25.26 C ATOM 349 C ARG A 45 -15.380 58.587 3.278 1.00 26.84 C ATOM 350 O ARG A 45 -15.846 57.766 2.482 1.00 30.09 O ATOM 351 CB ARG A 45 -16.566 60.699 2.857 1.00 27.94 C ATOM 352 CG ARG A 45 -17.123 60.956 4.274 1.00 30.53 C ATOM 353 CD ARG A 45 -16.688 62.299 4.750 1.00 34.32 C ATOM 354 NE ARG A 45 -16.863 62.630 6.160 1.00 40.36 N ATOM 355 CZ ARG A 45 -17.834 63.471 6.616 1.00 38.17 C ATOM 356 NH1 ARG A 45 -18.656 64.028 5.762 1.00 42.25 N ATOM 357 NH2 ARG A 45 -17.899 63.817 7.894 1.00 38.16 N ATOM 358 N ASN A 46 -15.002 58.285 4.528 1.00 26.69 N ATOM 359 CA ASN A 46 -15.174 56.940 5.125 1.00 28.33 C ATOM 360 C ASN A 46 -16.459 56.857 5.858 1.00 28.07 C ATOM 361 O ASN A 46 -16.980 57.829 6.308 1.00 29.52 O ATOM 362 CB ASN A 46 -13.995 56.618 6.062 1.00 25.02 C ATOM 363 CG ASN A 46 -12.732 56.731 5.301 1.00 29.04 C ATOM 364 OD1 ASN A 46 -11.893 57.555 5.597 1.00 30.26 O ATOM 365 ND2 ASN A 46 -12.821 56.178 4.104 1.00 31.13 N ATOM 366 N THR A 47 -16.894 55.637 6.102 1.00 30.97 N ATOM 367 CA THR A 47 -18.124 55.443 6.844 1.00 31.74 C ATOM 368 C THR A 47 -18.008 55.966 8.254 1.00 31.29 C ATOM 369 O THR A 47 -19.039 56.368 8.770 1.00 34.61 O ATOM 370 CB THR A 47 -18.571 53.948 6.892 1.00 32.93 C ATOM 371 OG1 THR A 47 -17.540 53.126 7.441 1.00 35.80 O ATOM 372 CG2 THR A 47 -18.767 53.443 5.522 1.00 33.44 C ATOM 373 N ASP A 48 -16.811 55.931 8.869 1.00 29.08 N ATOM 374 CA ASP A 48 -16.658 56.501 10.218 1.00 29.79 C ATOM 375 C ASP A 48 -16.663 58.027 10.303 1.00 27.63 C ATOM 376 O ASP A 48 -16.508 58.581 11.398 1.00 31.40 O ATOM 377 CB ASP A 48 -15.402 55.996 10.931 1.00 29.46 C ATOM 378 CG ASP A 48 -14.084 56.514 10.315 1.00 30.25 C ATOM 379 OD1 ASP A 48 -14.000 57.176 9.243 1.00 31.54 O ATOM 380 OD2 ASP A 48 -12.979 56.153 10.832 1.00 33.95 O ATOM 381 N GLY A 49 -16.956 58.747 9.199 1.00 26.78 N ATOM 382 CA GLY A 49 -16.949 60.174 9.191 1.00 23.44 C ATOM 383 C GLY A 49 -15.638 60.873 8.890 1.00 21.40 C ATOM 384 O GLY A 49 -15.625 62.102 8.643 1.00 25.21 O ATOM 385 N SER A 50 -14.519 60.079 8.878 1.00 21.66 N ATOM 386 CA SER A 50 -13.193 60.569 8.634 1.00 20.20 C ATOM 387 C SER A 50 -13.110 60.752 7.102 1.00 19.87 C ATOM 388 O SER A 50 -13.940 60.247 6.388 1.00 21.45 O ATOM 389 CB SER A 50 -12.124 59.683 9.170 1.00 20.56 C ATOM 390 OG SER A 50 -12.123 58.454 8.445 1.00 19.57 O ATOM 391 N THR A 51 -12.159 61.540 6.662 1.00 20.68 N ATOM 392 CA THR A 51 -11.950 61.741 5.260 1.00 19.73 C ATOM 393 C THR A 51 -10.447 61.457 4.950 1.00 20.06 C ATOM 394 O THR A 51 -9.572 61.802 5.749 1.00 20.37 O ATOM 395 CB THR A 51 -12.372 63.143 4.823 1.00 19.07 C ATOM 396 OG1 THR A 51 -13.768 63.371 5.129 1.00 19.47 O ATOM 397 CG2 THR A 51 -12.090 63.362 3.271 1.00 19.01 C ATOM 398 N ASP A 52 -10.162 60.931 3.743 1.00 19.80 N ATOM 399 CA ASP A 52 -8.818 60.658 3.208 1.00 20.40 C ATOM 400 C ASP A 52 -8.493 61.779 2.241 1.00 19.81 C ATOM 401 O ASP A 52 -9.331 62.114 1.405 1.00 21.03 O ATOM 402 CB ASP A 52 -8.924 59.345 2.440 1.00 19.75 C ATOM 403 CG ASP A 52 -9.096 58.165 3.351 1.00 23.68 C ATOM 404 OD1 ASP A 52 -8.885 58.347 4.582 1.00 27.33 O ATOM 405 OD2 ASP A 52 -9.386 57.027 2.923 1.00 34.92 O ATOM 406 N TYR A 53 -7.237 62.265 2.322 1.00 20.78 N ATOM 407 CA TYR A 53 -6.842 63.410 1.549 1.00 18.94 C ATOM 408 C TYR A 53 -5.496 63.312 0.794 1.00 19.14 C ATOM 409 O TYR A 53 -4.477 62.845 1.301 1.00 18.65 O ATOM 410 CB TYR A 53 -6.611 64.637 2.470 1.00 22.32 C ATOM 411 CG TYR A 53 -7.756 65.169 3.205 1.00 18.06 C ATOM 412 CD1 TYR A 53 -8.296 64.546 4.350 1.00 20.38 C ATOM 413 CD2 TYR A 53 -8.635 66.129 2.629 1.00 19.36 C ATOM 414 CE1 TYR A 53 -9.441 65.064 5.033 1.00 19.61 C ATOM 415 CE2 TYR A 53 -9.655 66.644 3.301 1.00 20.20 C ATOM 416 CZ TYR A 53 -10.280 66.019 4.452 1.00 17.07 C ATOM 417 OH TYR A 53 -11.332 66.384 5.164 1.00 20.35 O ATOM 418 N GLY A 54 -5.543 63.761 -0.436 1.00 19.41 N ATOM 419 CA GLY A 54 -4.361 63.959 -1.232 1.00 19.97 C ATOM 420 C GLY A 54 -3.817 62.685 -1.920 1.00 15.52 C ATOM 421 O GLY A 54 -4.473 61.630 -2.067 1.00 17.68 O ATOM 422 N ILE A 55 -2.641 62.950 -2.505 1.00 21.17 N ATOM 423 CA ILE A 55 -2.033 61.959 -3.319 1.00 22.32 C ATOM 424 C ILE A 55 -1.881 60.549 -2.558 1.00 20.30 C ATOM 425 O ILE A 55 -1.930 59.443 -3.185 1.00 24.45 O ATOM 426 CB ILE A 55 -0.700 62.566 -3.904 1.00 20.61 C ATOM 427 CG1 ILE A 55 -0.347 61.982 -5.229 1.00 28.54 C ATOM 428 CG2 ILE A 55 0.302 62.520 -2.872 1.00 24.81 C ATOM 429 CD1 ILE A 55 0.577 62.675 -6.102 1.00 35.86 C ATOM 430 N LEU A 56 -1.612 60.564 -1.242 1.00 19.03 N ATOM 431 CA LEU A 56 -1.417 59.363 -0.510 1.00 21.23 C ATOM 432 C LEU A 56 -2.619 59.090 0.417 1.00 19.19 C ATOM 433 O LEU A 56 -2.611 58.143 1.200 1.00 19.78 O ATOM 434 CB LEU A 56 -0.124 59.355 0.226 1.00 21.11 C ATOM 435 CG LEU A 56 1.124 59.174 -0.687 1.00 24.67 C ATOM 436 CD1 LEU A 56 2.319 59.481 0.142 1.00 26.15 C ATOM 437 CD2 LEU A 56 1.081 57.809 -1.256 1.00 30.86 C ATOM 438 N GLN A 57 -3.732 59.799 0.200 1.00 19.48 N ATOM 439 CA GLN A 57 -4.978 59.553 0.870 1.00 17.73 C ATOM 440 C GLN A 57 -4.783 59.387 2.359 1.00 18.01 C ATOM 441 O GLN A 57 -5.315 58.421 2.950 1.00 20.53 O ATOM 442 CB GLN A 57 -5.640 58.375 0.244 1.00 17.15 C ATOM 443 CG GLN A 57 -6.253 58.710 -1.134 1.00 20.30 C ATOM 444 CD GLN A 57 -7.424 59.591 -1.072 1.00 16.21 C ATOM 445 OE1 GLN A 57 -8.563 59.090 -0.993 1.00 18.78 O ATOM 446 NE2 GLN A 57 -7.194 60.902 -1.108 1.00 18.37 N ATOM 447 N ILE A 58 -4.224 60.439 2.957 1.00 20.44 N ATOM 448 CA ILE A 58 -4.015 60.526 4.400 1.00 20.18 C ATOM 449 C ILE A 58 -5.242 60.854 5.215 1.00 19.96 C ATOM 450 O ILE A 58 -5.954 61.756 4.916 1.00 22.17 O ATOM 451 CB ILE A 58 -2.842 61.460 4.696 1.00 22.78 C ATOM 452 CG1 ILE A 58 -1.553 60.828 4.172 1.00 23.77 C ATOM 453 CG2 ILE A 58 -2.724 61.819 6.231 1.00 21.89 C ATOM 454 CD1 ILE A 58 -0.283 61.763 4.211 1.00 32.11 C ATOM 455 N ASN A 59 -5.459 60.043 6.229 1.00 20.85 N ATOM 456 CA ASN A 59 -6.738 59.986 7.017 1.00 19.74 C ATOM 457 C ASN A 59 -6.841 61.051 8.158 1.00 19.70 C ATOM 458 O ASN A 59 -5.943 61.216 8.999 1.00 23.74 O ATOM 459 CB ASN A 59 -7.052 58.540 7.510 1.00 19.83 C ATOM 460 CG ASN A 59 -8.442 58.447 8.126 1.00 22.19 C ATOM 461 OD1 ASN A 59 -8.625 58.497 9.344 1.00 25.58 O ATOM 462 ND2 ASN A 59 -9.411 58.366 7.313 1.00 22.72 N ATOM 463 N SER A 60 -8.008 61.709 8.220 1.00 22.67 N ATOM 464 CA SER A 60 -8.231 62.791 9.167 1.00 22.70 C ATOM 465 C SER A 60 -8.435 62.255 10.542 1.00 24.68 C ATOM 466 O SER A 60 -8.421 62.996 11.518 1.00 27.47 O ATOM 467 CB SER A 60 -9.476 63.666 8.802 1.00 22.68 C ATOM 468 OG SER A 60 -10.639 62.839 8.816 1.00 20.97 O ATOM 469 N ARG A 61 -8.744 60.989 10.609 1.00 26.05 N ATOM 470 CA ARG A 61 -8.959 60.342 11.864 1.00 30.25 C ATOM 471 C ARG A 61 -7.687 60.380 12.780 1.00 30.98 C ATOM 472 O ARG A 61 -7.772 60.654 14.001 1.00 31.85 O ATOM 473 CB ARG A 61 -9.465 58.973 11.591 1.00 30.79 C ATOM 474 CG ARG A 61 -9.475 58.351 12.951 1.00 36.07 C ATOM 475 CD ARG A 61 -10.726 58.344 13.809 1.00 39.31 C ATOM 476 NE ARG A 61 -11.986 58.130 13.099 1.00 43.57 N ATOM 477 CZ ARG A 61 -13.081 58.850 13.403 1.00 45.67 C ATOM 478 NH1 ARG A 61 -13.051 59.750 14.413 1.00 48.09 N ATOM 479 NH2 ARG A 61 -14.191 58.753 12.699 1.00 46.10 N ATOM 480 N TRP A 62 -6.505 60.260 12.181 1.00 30.00 N ATOM 481 CA TRP A 62 -5.267 60.276 12.970 1.00 27.24 C ATOM 482 C TRP A 62 -4.256 61.389 12.613 1.00 26.14 C ATOM 483 O TRP A 62 -3.478 61.788 13.467 1.00 28.06 O ATOM 484 CB TRP A 62 -4.523 58.970 12.853 1.00 28.22 C ATOM 485 CG TRP A 62 -5.359 57.867 13.007 1.00 32.75 C ATOM 486 CD1 TRP A 62 -5.921 57.164 12.024 1.00 37.24 C ATOM 487 CD2 TRP A 62 -5.798 57.303 14.232 1.00 40.56 C ATOM 488 NE1 TRP A 62 -6.658 56.128 12.550 1.00 41.43 N ATOM 489 CE2 TRP A 62 -6.589 56.191 13.914 1.00 41.52 C ATOM 490 CE3 TRP A 62 -5.539 57.574 15.574 1.00 46.07 C ATOM 491 CZ2 TRP A 62 -7.200 55.386 14.886 1.00 50.31 C ATOM 492 CZ3 TRP A 62 -6.158 56.787 16.551 1.00 50.26 C ATOM 493 CH2 TRP A 62 -6.972 55.693 16.199 1.00 49.53 C ATOM 494 N TRP A 63 -4.195 61.747 11.339 1.00 23.19 N ATOM 495 CA TRP A 63 -3.020 62.442 10.859 1.00 21.65 C ATOM 496 C TRP A 63 -3.120 63.926 10.562 1.00 21.76 C ATOM 497 O TRP A 63 -2.064 64.569 10.533 1.00 23.36 O ATOM 498 CB TRP A 63 -2.556 61.719 9.636 1.00 21.10 C ATOM 499 CG TRP A 63 -2.371 60.271 9.904 1.00 23.27 C ATOM 500 CD1 TRP A 63 -3.133 59.190 9.459 1.00 24.80 C ATOM 501 CD2 TRP A 63 -1.269 59.643 10.643 1.00 23.05 C ATOM 502 NE1 TRP A 63 -2.647 58.019 9.943 1.00 29.61 N ATOM 503 CE2 TRP A 63 -1.511 58.260 10.669 1.00 26.11 C ATOM 504 CE3 TRP A 63 -0.189 60.136 11.378 1.00 23.02 C ATOM 505 CZ2 TRP A 63 -0.643 57.362 11.311 1.00 23.68 C ATOM 506 CZ3 TRP A 63 0.657 59.220 12.027 1.00 20.96 C ATOM 507 CH2 TRP A 63 0.415 57.898 11.997 1.00 23.87 C ATOM 508 N CYS A 64 -4.301 64.379 10.247 1.00 22.44 N ATOM 509 CA CYS A 64 -4.533 65.812 9.978 1.00 22.09 C ATOM 510 C CYS A 64 -5.842 66.288 10.524 1.00 20.24 C ATOM 511 O CYS A 64 -6.777 65.540 10.810 1.00 24.79 O ATOM 512 CB CYS A 64 -4.443 66.131 8.489 1.00 20.80 C ATOM 513 SG CYS A 64 -5.649 65.204 7.507 1.00 23.89 S ATOM 514 N ASN A 65 -5.915 67.589 10.652 1.00 24.19 N ATOM 515 CA ASN A 65 -7.139 68.168 11.165 1.00 21.81 C ATOM 516 C ASN A 65 -8.045 68.818 10.101 1.00 21.16 C ATOM 517 O ASN A 65 -7.532 69.590 9.323 1.00 20.54 O ATOM 518 CB ASN A 65 -6.803 69.216 12.189 1.00 23.20 C ATOM 519 CG ASN A 65 -8.036 69.805 12.826 1.00 27.91 C ATOM 520 OD1 ASN A 65 -8.969 69.120 13.215 1.00 33.38 O ATOM 521 ND2 ASN A 65 -8.039 71.085 12.933 1.00 39.94 N ATOM 522 N ASP A 66 -9.275 68.327 9.986 1.00 21.90 N ATOM 523 CA ASP A 66 -10.228 68.902 9.010 1.00 21.05 C ATOM 524 C ASP A 66 -11.420 69.627 9.617 1.00 21.60 C ATOM 525 O ASP A 66 -12.299 70.106 8.890 1.00 25.03 O ATOM 526 CB ASP A 66 -10.621 67.861 7.955 1.00 23.24 C ATOM 527 CG ASP A 66 -11.532 66.740 8.453 1.00 15.29 C ATOM 528 OD1 ASP A 66 -11.888 66.720 9.657 1.00 20.47 O ATOM 529 OD2 ASP A 66 -11.857 65.756 7.768 1.00 22.60 O ATOM 530 N GLY A 67 -11.403 69.724 10.942 1.00 21.82 N ATOM 531 CA GLY A 67 -12.450 70.391 11.689 1.00 21.69 C ATOM 532 C GLY A 67 -13.782 69.679 11.736 1.00 21.97 C ATOM 533 O GLY A 67 -14.710 70.337 12.236 1.00 25.83 O ATOM 534 N ARG A 68 -13.914 68.481 11.179 1.00 21.41 N ATOM 535 CA ARG A 68 -15.196 67.781 11.159 1.00 24.40 C ATOM 536 C ARG A 68 -15.018 66.305 11.412 1.00 25.50 C ATOM 537 O ARG A 68 -15.765 65.444 10.915 1.00 31.70 O ATOM 538 CB ARG A 68 -15.883 67.965 9.817 1.00 24.98 C ATOM 539 CG ARG A 68 -15.190 67.109 8.655 1.00 23.30 C ATOM 540 CD ARG A 68 -16.120 67.175 7.413 1.00 29.81 C ATOM 541 NE ARG A 68 -15.734 66.255 6.368 1.00 26.87 N ATOM 542 CZ ARG A 68 -16.225 66.252 5.165 1.00 28.96 C ATOM 543 NH1 ARG A 68 -17.131 67.169 4.835 1.00 33.30 N ATOM 544 NH2 ARG A 68 -15.784 65.376 4.278 1.00 23.35 N ATOM 545 N THR A 69 -13.939 65.959 12.123 1.00 25.99 N ATOM 546 CA THR A 69 -13.717 64.529 12.514 1.00 26.35 C ATOM 547 C THR A 69 -13.597 64.416 14.036 1.00 29.20 C ATOM 548 O THR A 69 -12.531 64.501 14.588 1.00 28.77 O ATOM 549 CB THR A 69 -12.466 63.866 11.840 1.00 25.39 C ATOM 550 OG1 THR A 69 -12.511 64.096 10.432 1.00 22.69 O ATOM 551 CG2 THR A 69 -12.450 62.346 11.965 1.00 27.66 C ATOM 552 N PRO A 70 -14.719 64.320 14.719 1.00 34.02 N ATOM 553 CA PRO A 70 -14.726 64.300 16.193 1.00 34.66 C ATOM 554 C PRO A 70 -13.705 63.370 16.864 1.00 36.31 C ATOM 555 O PRO A 70 -13.455 62.248 16.528 1.00 37.45 O ATOM 556 CB PRO A 70 -16.165 63.906 16.506 1.00 35.61 C ATOM 557 CG PRO A 70 -16.967 64.630 15.333 1.00 34.93 C ATOM 558 CD PRO A 70 -16.088 64.381 14.139 1.00 33.56 C ATOM 559 N GLY A 71 -13.060 63.883 17.879 1.00 38.84 N ATOM 560 CA GLY A 71 -12.141 62.998 18.585 1.00 41.11 C ATOM 561 C GLY A 71 -11.023 62.410 17.704 1.00 41.63 C ATOM 562 O GLY A 71 -10.560 61.275 17.909 1.00 45.00 O ATOM 563 N SER A 72 -10.561 63.186 16.734 1.00 40.97 N ATOM 564 CA SER A 72 -9.465 62.773 15.912 1.00 39.89 C ATOM 565 C SER A 72 -8.139 63.444 16.423 1.00 38.53 C ATOM 566 O SER A 72 -8.125 64.403 17.239 1.00 37.75 O ATOM 567 CB SER A 72 -9.744 63.097 14.470 1.00 40.73 C ATOM 568 OG SER A 72 -9.464 64.490 14.293 1.00 41.14 O ATOM 569 N ARG A 73 -7.040 62.858 16.014 1.00 35.67 N ATOM 570 CA ARG A 73 -5.727 63.349 16.362 1.00 34.88 C ATOM 571 C ARG A 73 -5.212 64.093 15.117 1.00 33.90 C ATOM 572 O ARG A 73 -5.795 64.094 14.017 1.00 37.69 O ATOM 573 CB ARG A 73 -4.819 62.173 16.692 1.00 34.43 C ATOM 574 CG ARG A 73 -5.308 61.361 17.831 1.00 36.69 C ATOM 575 CD ARG A 73 -4.557 61.626 19.092 1.00 41.46 C ATOM 576 NE ARG A 73 -3.293 60.896 19.114 1.00 46.68 N ATOM 577 CZ ARG A 73 -2.282 61.215 19.902 1.00 51.74 C ATOM 578 NH1 ARG A 73 -2.404 62.229 20.742 1.00 56.22 N ATOM 579 NH2 ARG A 73 -1.145 60.530 19.874 1.00 54.43 N ATOM 580 N ASN A 74 -4.174 64.815 15.307 1.00 31.63 N ATOM 581 CA ASN A 74 -3.639 65.556 14.233 1.00 29.50 C ATOM 582 C ASN A 74 -2.187 65.254 14.439 1.00 27.49 C ATOM 583 O ASN A 74 -1.435 66.176 14.736 1.00 28.60 O ATOM 584 CB ASN A 74 -3.991 67.045 14.378 1.00 28.92 C ATOM 585 CG ASN A 74 -3.395 67.949 13.267 1.00 24.50 C ATOM 586 OD1 ASN A 74 -2.789 67.440 12.313 1.00 24.77 O ATOM 587 ND2 ASN A 74 -3.568 69.315 13.393 1.00 27.06 N ATOM 588 N LEU A 75 -1.807 63.986 14.245 1.00 28.55 N ATOM 589 CA LEU A 75 -0.427 63.584 14.440 1.00 29.58 C ATOM 590 C LEU A 75 0.596 64.243 13.509 1.00 27.00 C ATOM 591 O LEU A 75 1.727 64.478 13.897 1.00 28.69 O ATOM 592 CB LEU A 75 -0.370 62.043 14.361 1.00 29.06 C ATOM 593 CG LEU A 75 -1.113 61.315 15.508 1.00 30.45 C ATOM 594 CD1 LEU A 75 -1.072 59.833 15.489 1.00 35.69 C ATOM 595 CD2 LEU A 75 -0.431 61.832 16.800 1.00 33.79 C ATOM 596 N CYS A 76 0.171 64.694 12.337 1.00 23.94 N ATOM 597 CA CYS A 76 1.117 65.350 11.454 1.00 24.32 C ATOM 598 C CYS A 76 1.150 66.824 11.657 1.00 27.16 C ATOM 599 O CYS A 76 1.894 67.559 11.012 1.00 25.66 O ATOM 600 CB CYS A 76 0.912 64.939 9.999 1.00 24.50 C ATOM 601 SG CYS A 76 1.304 63.228 9.552 1.00 26.38 S ATOM 602 N ASN A 77 0.266 67.295 12.533 1.00 26.53 N ATOM 603 CA ASN A 77 0.168 68.762 12.811 1.00 28.65 C ATOM 604 C ASN A 77 -0.050 69.614 11.584 1.00 27.43 C ATOM 605 O ASN A 77 0.610 70.628 11.389 1.00 27.87 O ATOM 606 CB ASN A 77 1.401 69.230 13.541 1.00 29.76 C ATOM 607 CG ASN A 77 1.193 69.258 14.966 1.00 33.51 C ATOM 608 OD1 ASN A 77 0.377 70.086 15.443 1.00 45.10 O ATOM 609 ND2 ASN A 77 1.864 68.344 15.708 1.00 44.56 N ATOM 610 N ILE A 78 -1.054 69.243 10.809 1.00 26.40 N ATOM 611 CA ILE A 78 -1.370 70.019 9.637 1.00 26.42 C ATOM 612 C ILE A 78 -2.841 70.123 9.411 1.00 24.63 C ATOM 613 O ILE A 78 -3.585 69.155 9.708 1.00 21.46 O ATOM 614 CB ILE A 78 -0.740 69.413 8.348 1.00 25.72 C ATOM 615 CG1 ILE A 78 -0.947 67.909 8.318 1.00 26.76 C ATOM 616 CG2 ILE A 78 0.656 69.908 8.187 1.00 30.12 C ATOM 617 CD1 ILE A 78 -0.731 67.407 6.931 1.00 27.85 C ATOM 618 N PRO A 79 -3.280 71.210 8.812 1.00 24.88 N ATOM 619 CA PRO A 79 -4.646 71.065 8.322 1.00 26.51 C ATOM 620 C PRO A 79 -4.619 70.041 7.170 1.00 21.00 C ATOM 621 O PRO A 79 -3.645 70.033 6.359 1.00 23.41 O ATOM 622 CB PRO A 79 -5.000 72.433 7.831 1.00 25.09 C ATOM 623 CG PRO A 79 -3.730 73.076 7.576 1.00 27.74 C ATOM 624 CD PRO A 79 -2.626 72.489 8.447 1.00 26.15 C ATOM 625 N CYS A 80 -5.712 69.255 7.043 1.00 22.06 N ATOM 626 CA CYS A 80 -5.846 68.224 5.978 1.00 19.34 C ATOM 627 C CYS A 80 -5.708 68.916 4.559 1.00 15.39 C ATOM 628 O CYS A 80 -5.051 68.365 3.633 1.00 20.22 O ATOM 629 CB CYS A 80 -7.114 67.386 6.084 1.00 22.15 C ATOM 630 SG CYS A 80 -7.283 66.502 7.607 1.00 22.56 S ATOM 631 N SER A 81 -6.305 70.130 4.425 1.00 16.97 N ATOM 632 CA SER A 81 -6.171 70.879 3.157 1.00 20.42 C ATOM 633 C SER A 81 -4.792 71.012 2.655 1.00 20.66 C ATOM 634 O SER A 81 -4.502 71.151 1.456 1.00 25.62 O ATOM 635 CB SER A 81 -6.804 72.273 3.242 1.00 20.89 C ATOM 636 OG SER A 81 -6.255 73.102 4.243 1.00 23.81 O ATOM 637 N ALA A 82 -3.836 71.015 3.576 1.00 21.89 N ATOM 638 CA ALA A 82 -2.395 71.127 3.173 1.00 24.88 C ATOM 639 C ALA A 82 -1.893 69.941 2.306 1.00 22.34 C ATOM 640 O ALA A 82 -0.942 70.083 1.497 1.00 25.22 O ATOM 641 CB ALA A 82 -1.511 71.309 4.389 1.00 24.16 C ATOM 642 N LEU A 83 -2.543 68.794 2.527 1.00 21.66 N ATOM 643 CA LEU A 83 -2.372 67.518 1.819 1.00 21.89 C ATOM 644 C LEU A 83 -2.851 67.658 0.402 1.00 22.70 C ATOM 645 O LEU A 83 -2.613 66.744 -0.322 1.00 27.03 O ATOM 646 CB LEU A 83 -2.959 66.345 2.597 1.00 23.19 C ATOM 647 CG LEU A 83 -2.224 66.194 3.958 1.00 22.48 C ATOM 648 CD1 LEU A 83 -3.063 65.283 4.887 1.00 25.30 C ATOM 649 CD2 LEU A 83 -0.707 65.827 3.823 1.00 29.56 C ATOM 650 N LEU A 84 -3.531 68.746 -0.002 1.00 23.71 N ATOM 651 CA LEU A 84 -4.142 68.708 -1.341 1.00 20.14 C ATOM 652 C LEU A 84 -3.342 69.553 -2.292 1.00 23.46 C ATOM 653 O LEU A 84 -3.703 69.626 -3.525 1.00 24.37 O ATOM 654 CB LEU A 84 -5.613 69.160 -1.343 1.00 22.85 C ATOM 655 CG LEU A 84 -6.597 68.409 -0.417 1.00 23.30 C ATOM 656 CD1 LEU A 84 -8.035 68.925 -0.477 1.00 28.73 C ATOM 657 CD2 LEU A 84 -6.440 66.926 -0.755 1.00 25.20 C ATOM 658 N SER A 85 -2.312 70.216 -1.786 1.00 24.84 N ATOM 659 CA SER A 85 -1.452 71.100 -2.567 1.00 26.75 C ATOM 660 C SER A 85 -0.722 70.523 -3.759 1.00 26.04 C ATOM 661 O SER A 85 -0.415 69.337 -3.839 1.00 23.68 O ATOM 662 CB SER A 85 -0.422 71.747 -1.655 1.00 27.52 C ATOM 663 OG SER A 85 0.499 72.399 -2.448 1.00 28.09 O ATOM 664 N SER A 86 -0.358 71.426 -4.673 1.00 25.37 N ATOM 665 CA SER A 86 0.396 70.955 -5.809 1.00 27.03 C ATOM 666 C SER A 86 1.835 70.599 -5.369 1.00 25.14 C ATOM 667 O SER A 86 2.450 69.707 -5.971 1.00 29.60 O ATOM 668 CB SER A 86 0.340 71.913 -6.970 1.00 26.99 C ATOM 669 OG SER A 86 0.878 73.058 -6.515 1.00 27.82 O ATOM 670 N ASP A 87 2.286 71.098 -4.229 1.00 25.93 N ATOM 671 CA ASP A 87 3.576 70.838 -3.696 1.00 27.93 C ATOM 672 C ASP A 87 3.308 69.667 -2.755 1.00 25.86 C ATOM 673 O ASP A 87 2.585 69.833 -1.767 1.00 23.79 O ATOM 674 CB ASP A 87 3.986 72.049 -2.886 1.00 29.11 C ATOM 675 CG ASP A 87 5.399 71.911 -2.268 1.00 30.63 C ATOM 676 OD1 ASP A 87 5.838 70.800 -1.980 1.00 27.40 O ATOM 677 OD2 ASP A 87 6.215 72.834 -2.151 1.00 37.12 O ATOM 678 N ILE A 88 3.952 68.532 -2.979 1.00 26.25 N ATOM 679 CA ILE A 88 3.727 67.299 -2.135 1.00 25.83 C ATOM 680 C ILE A 88 4.459 67.238 -0.888 1.00 25.08 C ATOM 681 O ILE A 88 4.315 66.233 -0.172 1.00 24.83 O ATOM 682 CB ILE A 88 4.058 65.965 -2.903 1.00 25.63 C ATOM 683 CG1 ILE A 88 5.569 65.795 -3.261 1.00 24.87 C ATOM 684 CG2 ILE A 88 3.215 65.937 -4.139 1.00 27.80 C ATOM 685 CD1 ILE A 88 5.895 64.385 -3.873 1.00 24.07 C ATOM 686 N THR A 89 5.279 68.266 -0.616 1.00 24.54 N ATOM 687 CA THR A 89 6.077 68.293 0.643 1.00 23.23 C ATOM 688 C THR A 89 5.338 67.811 1.888 1.00 19.87 C ATOM 689 O THR A 89 5.797 66.916 2.605 1.00 22.62 O ATOM 690 CB THR A 89 6.715 69.737 0.959 1.00 23.86 C ATOM 691 OG1 THR A 89 7.493 70.138 -0.120 1.00 26.42 O ATOM 692 CG2 THR A 89 7.643 69.606 2.119 1.00 23.17 C ATOM 693 N ALA A 90 4.145 68.337 2.120 1.00 21.35 N ATOM 694 CA ALA A 90 3.442 68.023 3.339 1.00 22.52 C ATOM 695 C ALA A 90 2.985 66.584 3.336 1.00 21.50 C ATOM 696 O ALA A 90 3.045 65.914 4.363 1.00 23.33 O ATOM 697 CB ALA A 90 2.293 68.929 3.483 1.00 23.57 C ATOM 698 N SER A 91 2.514 66.130 2.180 1.00 21.14 N ATOM 699 CA SER A 91 2.084 64.727 2.011 1.00 21.88 C ATOM 700 C SER A 91 3.230 63.752 2.242 1.00 21.19 C ATOM 701 O SER A 91 3.057 62.758 2.965 1.00 23.62 O ATOM 702 CB SER A 91 1.543 64.507 0.617 1.00 24.80 C ATOM 703 OG SER A 91 0.204 64.915 0.511 1.00 22.36 O ATOM 704 N VAL A 92 4.411 64.066 1.747 1.00 18.74 N ATOM 705 CA VAL A 92 5.574 63.217 1.989 1.00 22.70 C ATOM 706 C VAL A 92 5.995 63.189 3.486 1.00 22.02 C ATOM 707 O VAL A 92 6.162 62.100 4.078 1.00 21.24 O ATOM 708 CB VAL A 92 6.707 63.655 1.062 1.00 24.81 C ATOM 709 CG1 VAL A 92 8.044 62.981 1.432 1.00 26.46 C ATOM 710 CG2 VAL A 92 6.300 63.353 -0.366 1.00 27.50 C ATOM 711 N ASN A 93 6.147 64.366 4.088 1.00 22.46 N ATOM 712 CA ASN A 93 6.510 64.500 5.496 1.00 24.60 C ATOM 713 C ASN A 93 5.546 63.740 6.395 1.00 22.10 C ATOM 714 O ASN A 93 5.938 63.077 7.332 1.00 26.42 O ATOM 715 CB ASN A 93 6.513 65.960 5.947 1.00 25.05 C ATOM 716 CG ASN A 93 7.714 66.759 5.313 1.00 31.84 C ATOM 717 OD1 ASN A 93 8.632 66.153 4.719 1.00 32.64 O ATOM 718 ND2 ASN A 93 7.656 68.100 5.401 1.00 39.61 N ATOM 719 N CYS A 94 4.281 63.889 6.143 1.00 19.67 N ATOM 720 CA CYS A 94 3.277 63.111 6.935 1.00 19.76 C ATOM 721 C CYS A 94 3.369 61.543 6.693 1.00 18.42 C ATOM 722 O CYS A 94 3.397 60.686 7.645 1.00 20.99 O ATOM 723 CB CYS A 94 1.902 63.660 6.695 1.00 20.39 C ATOM 724 SG CYS A 94 0.650 62.971 7.745 1.00 24.46 S ATOM 725 N ALA A 95 3.537 61.129 5.399 1.00 18.82 N ATOM 726 CA ALA A 95 3.680 59.718 5.013 1.00 19.54 C ATOM 727 C ALA A 95 4.899 59.028 5.755 1.00 20.44 C ATOM 728 O ALA A 95 4.893 57.839 6.185 1.00 21.28 O ATOM 729 CB ALA A 95 3.749 59.625 3.484 1.00 16.99 C ATOM 730 N LYS A 96 5.963 59.818 5.878 1.00 20.17 N ATOM 731 CA LYS A 96 7.175 59.340 6.565 1.00 21.96 C ATOM 732 C LYS A 96 6.799 59.027 8.021 1.00 22.42 C ATOM 733 O LYS A 96 7.209 58.023 8.540 1.00 24.69 O ATOM 734 CB LYS A 96 8.196 60.446 6.481 1.00 22.53 C ATOM 735 CG LYS A 96 8.828 60.644 5.143 1.00 20.81 C ATOM 736 CD LYS A 96 10.024 61.664 5.238 1.00 22.94 C ATOM 737 CE LYS A 96 10.886 61.723 3.908 1.00 28.82 C ATOM 738 NZ LYS A 96 11.681 62.950 3.677 1.00 29.19 N ATOM 739 N LYS A 97 5.975 59.857 8.656 1.00 22.81 N ATOM 740 CA LYS A 97 5.505 59.537 10.017 1.00 22.66 C ATOM 741 C LYS A 97 4.623 58.282 10.083 1.00 23.62 C ATOM 742 O LYS A 97 4.781 57.431 10.955 1.00 24.32 O ATOM 743 CB LYS A 97 4.740 60.728 10.625 1.00 25.84 C ATOM 744 CG LYS A 97 5.591 61.972 10.813 1.00 30.98 C ATOM 745 CD LYS A 97 4.961 62.863 11.767 1.00 39.78 C ATOM 746 CE LYS A 97 5.648 64.254 11.914 1.00 41.58 C ATOM 747 NZ LYS A 97 5.588 65.173 10.733 1.00 42.41 N ATOM 748 N ILE A 98 3.769 58.119 9.104 1.00 20.43 N ATOM 749 CA ILE A 98 2.823 57.043 9.007 1.00 21.47 C ATOM 750 C ILE A 98 3.529 55.736 8.847 1.00 20.16 C ATOM 751 O ILE A 98 3.250 54.837 9.598 1.00 21.31 O ATOM 752 CB ILE A 98 1.729 57.263 7.864 1.00 20.03 C ATOM 753 CG1 ILE A 98 0.890 58.520 8.181 1.00 21.07 C ATOM 754 CG2 ILE A 98 0.945 56.159 7.691 1.00 18.73 C ATOM 755 CD1 ILE A 98 -0.052 58.880 7.008 1.00 21.13 C ATOM 756 N VAL A 99 4.458 55.622 7.911 1.00 21.74 N ATOM 757 CA VAL A 99 5.200 54.401 7.601 1.00 24.14 C ATOM 758 C VAL A 99 6.114 54.012 8.751 1.00 25.95 C ATOM 759 O VAL A 99 6.537 52.892 8.827 1.00 28.35 O ATOM 760 CB VAL A 99 5.890 54.598 6.314 1.00 20.95 C ATOM 761 CG1 VAL A 99 7.070 55.543 6.364 1.00 21.89 C ATOM 762 CG2 VAL A 99 6.144 53.335 5.656 1.00 26.04 C ATOM 763 N SER A 100 6.415 54.953 9.646 1.00 26.75 N ATOM 764 CA SER A 100 7.266 54.671 10.765 1.00 31.37 C ATOM 765 C SER A 100 6.484 54.136 11.966 1.00 34.09 C ATOM 766 O SER A 100 7.039 53.734 12.975 1.00 35.02 O ATOM 767 CB SER A 100 8.119 55.892 11.108 1.00 30.55 C ATOM 768 OG SER A 100 8.971 56.193 10.011 1.00 31.93 O ATOM 769 N ASP A 101 5.176 54.227 11.815 1.00 33.02 N ATOM 770 CA ASP A 101 4.173 53.960 12.849 1.00 35.28 C ATOM 771 C ASP A 101 4.112 52.522 13.345 1.00 35.04 C ATOM 772 O ASP A 101 3.428 52.197 14.325 1.00 38.49 O ATOM 773 CB ASP A 101 2.789 54.348 12.317 1.00 37.31 C ATOM 774 CG ASP A 101 1.755 54.432 13.412 1.00 41.53 C ATOM 775 OD1 ASP A 101 2.062 55.051 14.459 1.00 43.94 O ATOM 776 OD2 ASP A 101 0.628 53.915 13.322 1.00 48.46 O ATOM 777 N GLY A 102 4.788 51.619 12.645 1.00 33.13 N ATOM 778 CA GLY A 102 4.802 50.187 13.046 1.00 32.10 C ATOM 779 C GLY A 102 4.263 49.143 12.073 1.00 30.59 C ATOM 780 O GLY A 102 4.719 48.004 12.067 1.00 28.38 O ATOM 781 N ASN A 103 3.293 49.553 11.256 1.00 27.41 N ATOM 782 CA ASN A 103 2.732 48.644 10.259 1.00 27.57 C ATOM 783 C ASN A 103 3.288 48.848 8.861 1.00 23.70 C ATOM 784 O ASN A 103 2.866 48.221 7.914 1.00 22.98 O ATOM 785 CB ASN A 103 1.236 48.644 10.274 1.00 29.31 C ATOM 786 CG ASN A 103 0.670 48.293 11.651 1.00 37.85 C ATOM 787 OD1 ASN A 103 0.812 47.132 12.167 1.00 48.51 O ATOM 788 ND2 ASN A 103 0.016 49.295 12.263 1.00 43.96 N ATOM 789 N GLY A 104 4.276 49.706 8.773 1.00 22.33 N ATOM 790 CA GLY A 104 4.888 50.008 7.511 1.00 22.24 C ATOM 791 C GLY A 104 3.864 50.554 6.553 1.00 18.66 C ATOM 792 O GLY A 104 2.790 51.122 6.933 1.00 21.59 O ATOM 793 N MET A 105 4.070 50.139 5.308 1.00 19.87 N ATOM 794 CA MET A 105 3.205 50.597 4.230 1.00 21.78 C ATOM 795 C MET A 105 1.797 49.888 4.195 1.00 17.69 C ATOM 796 O MET A 105 0.844 50.298 3.442 1.00 22.21 O ATOM 797 CB MET A 105 3.817 50.483 2.847 1.00 21.92 C ATOM 798 CG MET A 105 4.816 51.538 2.594 1.00 22.34 C ATOM 799 SD MET A 105 5.240 51.794 0.840 1.00 25.34 S ATOM 800 CE MET A 105 3.731 52.640 0.304 1.00 26.62 C ATOM 801 N ASN A 106 1.567 48.871 5.050 1.00 18.76 N ATOM 802 CA ASN A 106 0.316 48.194 5.178 1.00 19.35 C ATOM 803 C ASN A 106 -0.846 49.173 5.662 1.00 19.17 C ATOM 804 O ASN A 106 -1.986 48.795 5.565 1.00 25.10 O ATOM 805 CB ASN A 106 0.380 47.022 6.130 1.00 18.52 C ATOM 806 CG ASN A 106 1.320 45.900 5.636 1.00 19.62 C ATOM 807 OD1 ASN A 106 0.993 45.191 4.703 1.00 21.14 O ATOM 808 ND2 ASN A 106 2.472 45.710 6.297 1.00 25.03 N ATOM 809 N ALA A 107 -0.480 50.345 6.224 1.00 20.59 N ATOM 810 CA ALA A 107 -1.362 51.505 6.582 1.00 19.54 C ATOM 811 C ALA A 107 -2.139 52.000 5.370 1.00 21.15 C ATOM 812 O ALA A 107 -3.250 52.499 5.518 1.00 23.29 O ATOM 813 CB ALA A 107 -0.610 52.588 7.184 1.00 21.84 C ATOM 814 N TRP A 108 -1.619 51.762 4.155 1.00 20.55 N ATOM 815 CA TRP A 108 -2.269 52.108 2.888 1.00 21.74 C ATOM 816 C TRP A 108 -2.968 50.872 2.273 1.00 21.58 C ATOM 817 O TRP A 108 -2.336 49.900 1.786 1.00 18.80 O ATOM 818 CB TRP A 108 -1.313 52.768 1.923 1.00 21.53 C ATOM 819 CG TRP A 108 -1.008 54.125 2.298 1.00 20.80 C ATOM 820 CD1 TRP A 108 -1.755 55.258 2.069 1.00 16.80 C ATOM 821 CD2 TRP A 108 0.152 54.568 2.993 1.00 20.82 C ATOM 822 NE1 TRP A 108 -1.100 56.359 2.516 1.00 21.04 N ATOM 823 CE2 TRP A 108 0.121 55.977 3.053 1.00 20.38 C ATOM 824 CE3 TRP A 108 1.302 53.921 3.474 1.00 22.05 C ATOM 825 CZ2 TRP A 108 1.098 56.726 3.724 1.00 19.25 C ATOM 826 CZ3 TRP A 108 2.242 54.644 4.122 1.00 26.67 C ATOM 827 CH2 TRP A 108 2.192 56.039 4.204 1.00 19.78 C ATOM 828 N VAL A 109 -4.265 50.850 2.347 1.00 22.49 N ATOM 829 CA VAL A 109 -5.052 49.637 1.925 1.00 21.60 C ATOM 830 C VAL A 109 -4.755 49.241 0.464 1.00 18.14 C ATOM 831 O VAL A 109 -4.697 48.059 0.100 1.00 23.67 O ATOM 832 CB VAL A 109 -6.630 49.798 2.144 1.00 26.10 C ATOM 833 CG1 VAL A 109 -7.423 48.598 1.601 1.00 28.90 C ATOM 834 CG2 VAL A 109 -6.930 50.063 3.621 1.00 28.43 C ATOM 835 N ALA A 110 -4.703 50.231 -0.393 1.00 21.35 N ATOM 836 CA ALA A 110 -4.551 49.990 -1.825 1.00 19.74 C ATOM 837 C ALA A 110 -3.093 49.460 -2.018 1.00 18.33 C ATOM 838 O ALA A 110 -2.890 48.597 -2.782 1.00 22.82 O ATOM 839 CB ALA A 110 -4.793 51.182 -2.642 1.00 18.60 C ATOM 840 N TRP A 111 -2.109 49.892 -1.222 1.00 21.41 N ATOM 841 CA TRP A 111 -0.744 49.326 -1.300 1.00 20.71 C ATOM 842 C TRP A 111 -0.791 47.811 -0.982 1.00 20.94 C ATOM 843 O TRP A 111 -0.261 46.937 -1.706 1.00 21.80 O ATOM 844 CB TRP A 111 0.299 49.996 -0.431 1.00 20.88 C ATOM 845 CG TRP A 111 1.556 49.359 -0.584 1.00 19.08 C ATOM 846 CD1 TRP A 111 2.480 49.552 -1.588 1.00 22.90 C ATOM 847 CD2 TRP A 111 2.139 48.454 0.328 1.00 20.20 C ATOM 848 NE1 TRP A 111 3.618 48.795 -1.353 1.00 20.22 N ATOM 849 CE2 TRP A 111 3.421 48.082 -0.185 1.00 19.00 C ATOM 850 CE3 TRP A 111 1.693 47.854 1.519 1.00 18.80 C ATOM 851 CZ2 TRP A 111 4.235 47.215 0.469 1.00 23.07 C ATOM 852 CZ3 TRP A 111 2.549 47.022 2.179 1.00 21.61 C ATOM 853 CH2 TRP A 111 3.743 46.630 1.621 1.00 22.48 C ATOM 854 N ARG A 112 -1.382 47.519 0.179 1.00 21.25 N ATOM 855 CA ARG A 112 -1.517 46.147 0.607 1.00 23.98 C ATOM 856 C ARG A 112 -2.200 45.270 -0.436 1.00 21.95 C ATOM 857 O ARG A 112 -1.713 44.150 -0.749 1.00 23.26 O ATOM 858 CB ARG A 112 -2.313 46.081 1.901 1.00 25.81 C ATOM 859 CG ARG A 112 -1.973 44.908 2.738 1.00 31.98 C ATOM 860 CD ARG A 112 -2.905 44.809 3.878 1.00 36.40 C ATOM 861 NE ARG A 112 -3.204 46.140 4.429 1.00 41.88 N ATOM 862 CZ ARG A 112 -4.486 46.598 4.621 1.00 41.31 C ATOM 863 NH1 ARG A 112 -5.548 45.861 4.287 1.00 42.56 N ATOM 864 NH2 ARG A 112 -4.693 47.808 5.138 1.00 40.28 N ATOM 865 N ASN A 113 -3.307 45.751 -0.977 1.00 20.91 N ATOM 866 CA ASN A 113 -4.136 44.925 -1.842 1.00 22.97 C ATOM 867 C ASN A 113 -3.672 44.920 -3.250 1.00 21.65 C ATOM 868 O ASN A 113 -3.997 43.994 -3.917 1.00 21.18 O ATOM 869 CB ASN A 113 -5.563 45.330 -1.732 1.00 20.89 C ATOM 870 CG ASN A 113 -6.113 44.965 -0.489 1.00 25.48 C ATOM 871 OD1 ASN A 113 -5.668 43.978 0.097 1.00 29.27 O ATOM 872 ND2 ASN A 113 -7.099 45.741 -0.008 1.00 26.59 N ATOM 873 N ARG A 114 -2.847 45.840 -3.701 1.00 21.88 N ATOM 874 CA ARG A 114 -2.547 45.949 -5.134 1.00 23.05 C ATOM 875 C ARG A 114 -1.091 46.181 -5.476 1.00 23.24 C ATOM 876 O ARG A 114 -0.717 46.250 -6.650 1.00 24.90 O ATOM 877 CB ARG A 114 -3.314 47.197 -5.711 1.00 21.32 C ATOM 878 CG ARG A 114 -4.766 47.164 -5.352 1.00 27.64 C ATOM 879 CD ARG A 114 -5.666 48.039 -5.957 1.00 28.39 C ATOM 880 NE ARG A 114 -5.807 48.090 -7.398 1.00 32.17 N ATOM 881 CZ ARG A 114 -6.570 49.011 -8.038 1.00 24.95 C ATOM 882 NH1 ARG A 114 -7.221 49.998 -7.393 1.00 22.39 N ATOM 883 NH2 ARG A 114 -6.652 48.918 -9.352 1.00 25.24 N ATOM 884 N CYS A 115 -0.291 46.511 -4.484 1.00 18.39 N ATOM 885 CA CYS A 115 1.085 46.722 -4.733 1.00 19.54 C ATOM 886 C CYS A 115 1.970 45.641 -4.086 1.00 19.43 C ATOM 887 O CYS A 115 3.055 45.370 -4.620 1.00 22.77 O ATOM 888 CB CYS A 115 1.481 48.160 -4.270 1.00 17.71 C ATOM 889 SG CYS A 115 0.661 49.487 -5.083 1.00 21.24 S ATOM 890 N LYS A 116 1.732 45.404 -2.833 1.00 21.41 N ATOM 891 CA LYS A 116 2.482 44.496 -2.041 1.00 22.33 C ATOM 892 C LYS A 116 2.742 43.190 -2.805 1.00 23.05 C ATOM 893 O LYS A 116 1.817 42.570 -3.263 1.00 23.64 O ATOM 894 CB LYS A 116 1.693 44.171 -0.818 1.00 23.39 C ATOM 895 CG LYS A 116 2.432 43.336 0.244 1.00 18.85 C ATOM 896 CD LYS A 116 1.805 43.523 1.641 1.00 21.67 C ATOM 897 CE LYS A 116 2.493 42.784 2.782 1.00 24.49 C ATOM 898 NZ LYS A 116 1.754 42.783 4.108 1.00 28.23 N ATOM 899 N GLY A 117 4.000 42.768 -2.832 1.00 25.65 N ATOM 900 CA GLY A 117 4.345 41.477 -3.422 1.00 27.61 C ATOM 901 C GLY A 117 4.298 41.439 -4.960 1.00 28.43 C ATOM 902 O GLY A 117 4.424 40.332 -5.542 1.00 32.21 O ATOM 903 N THR A 118 4.101 42.579 -5.609 1.00 26.77 N ATOM 904 CA THR A 118 4.131 42.725 -7.062 1.00 26.58 C ATOM 905 C THR A 118 5.519 43.276 -7.516 1.00 25.52 C ATOM 906 O THR A 118 6.287 43.737 -6.683 1.00 25.42 O ATOM 907 CB THR A 118 2.951 43.712 -7.526 1.00 26.59 C ATOM 908 OG1 THR A 118 3.215 45.055 -7.066 1.00 28.19 O ATOM 909 CG2 THR A 118 1.625 43.328 -6.868 1.00 27.78 C ATOM 910 N ASP A 119 5.732 43.393 -8.829 1.00 27.24 N ATOM 911 CA ASP A 119 6.938 43.993 -9.362 1.00 27.34 C ATOM 912 C ASP A 119 6.698 45.488 -9.418 1.00 25.61 C ATOM 913 O ASP A 119 6.428 46.064 -10.509 1.00 29.52 O ATOM 914 CB ASP A 119 7.129 43.492 -10.752 1.00 29.22 C ATOM 915 CG ASP A 119 8.371 44.017 -11.417 1.00 31.60 C ATOM 916 OD1 ASP A 119 9.365 44.480 -10.739 1.00 34.92 O ATOM 917 OD2 ASP A 119 8.379 44.074 -12.646 1.00 43.29 O ATOM 918 N VAL A 120 6.950 46.113 -8.266 1.00 25.90 N ATOM 919 CA VAL A 120 6.738 47.567 -8.086 1.00 26.28 C ATOM 920 C VAL A 120 7.793 48.396 -8.864 1.00 25.65 C ATOM 921 O VAL A 120 7.510 49.596 -9.106 1.00 23.92 O ATOM 922 CB VAL A 120 6.673 47.969 -6.569 1.00 26.31 C ATOM 923 CG1 VAL A 120 5.425 47.416 -5.882 1.00 26.14 C ATOM 924 CG2 VAL A 120 7.958 47.711 -5.808 1.00 29.22 C ATOM 925 N GLN A 121 8.954 47.790 -9.244 1.00 26.50 N ATOM 926 CA GLN A 121 9.994 48.486 -10.042 1.00 26.69 C ATOM 927 C GLN A 121 9.418 48.943 -11.435 1.00 25.43 C ATOM 928 O GLN A 121 9.861 49.986 -12.028 1.00 26.60 O ATOM 929 CB GLN A 121 11.273 47.606 -10.148 1.00 28.09 C ATOM 930 CG GLN A 121 12.483 48.241 -10.681 1.00 34.08 C ATOM 931 CD GLN A 121 12.441 48.440 -12.205 1.00 45.39 C ATOM 932 OE1 GLN A 121 12.043 47.528 -12.947 1.00 51.24 O ATOM 933 NE2 GLN A 121 12.895 49.619 -12.679 1.00 46.77 N ATOM 934 N ALA A 122 8.396 48.232 -11.904 1.00 27.03 N ATOM 935 CA ALA A 122 7.732 48.577 -13.130 1.00 27.47 C ATOM 936 C ALA A 122 7.181 49.996 -13.047 1.00 26.37 C ATOM 937 O ALA A 122 7.069 50.669 -14.065 1.00 26.20 O ATOM 938 CB ALA A 122 6.560 47.609 -13.496 1.00 28.40 C ATOM 939 N TRP A 123 6.888 50.488 -11.832 1.00 25.00 N ATOM 940 CA TRP A 123 6.280 51.886 -11.737 1.00 26.24 C ATOM 941 C TRP A 123 7.306 52.984 -12.066 1.00 22.53 C ATOM 942 O TRP A 123 6.957 54.119 -12.316 1.00 27.41 O ATOM 943 CB TRP A 123 5.653 52.101 -10.337 1.00 25.17 C ATOM 944 CG TRP A 123 4.394 51.224 -10.277 1.00 26.79 C ATOM 945 CD1 TRP A 123 4.257 50.037 -9.700 1.00 32.37 C ATOM 946 CD2 TRP A 123 3.124 51.547 -10.844 1.00 20.39 C ATOM 947 NE1 TRP A 123 2.999 49.509 -9.905 1.00 25.87 N ATOM 948 CE2 TRP A 123 2.278 50.445 -10.611 1.00 25.00 C ATOM 949 CE3 TRP A 123 2.668 52.574 -11.662 1.00 28.57 C ATOM 950 CZ2 TRP A 123 0.965 50.392 -11.115 1.00 27.25 C ATOM 951 CZ3 TRP A 123 1.356 52.533 -12.154 1.00 26.48 C ATOM 952 CH2 TRP A 123 0.537 51.437 -11.895 1.00 26.07 C ATOM 953 N ILE A 124 8.570 52.699 -11.962 1.00 26.76 N ATOM 954 CA ILE A 124 9.606 53.670 -12.250 1.00 27.26 C ATOM 955 C ILE A 124 10.357 53.348 -13.504 1.00 29.00 C ATOM 956 O ILE A 124 11.140 54.164 -14.004 1.00 26.43 O ATOM 957 CB ILE A 124 10.512 53.873 -10.983 1.00 27.76 C ATOM 958 CG1 ILE A 124 11.221 52.577 -10.594 1.00 28.19 C ATOM 959 CG2 ILE A 124 9.675 54.401 -9.841 1.00 26.02 C ATOM 960 CD1 ILE A 124 12.356 52.738 -9.578 1.00 32.96 C ATOM 961 N ARG A 125 10.022 52.236 -14.131 1.00 29.77 N ATOM 962 CA ARG A 125 10.793 51.902 -15.308 1.00 33.07 C ATOM 963 C ARG A 125 10.572 53.030 -16.317 1.00 32.77 C ATOM 964 O ARG A 125 9.498 53.650 -16.427 1.00 32.88 O ATOM 965 CB ARG A 125 10.325 50.555 -15.880 1.00 35.07 C ATOM 966 CG ARG A 125 8.813 50.467 -16.317 1.00 41.56 C ATOM 967 CD ARG A 125 8.566 50.958 -17.757 1.00 50.00 C ATOM 968 NE ARG A 125 7.199 50.965 -18.344 1.00 54.57 N ATOM 969 CZ ARG A 125 6.039 51.264 -17.741 1.00 59.45 C ATOM 970 NH1 ARG A 125 5.953 51.476 -16.448 1.00 59.59 N ATOM 971 NH2 ARG A 125 4.925 51.309 -18.459 1.00 61.04 N ATOM 972 N GLY A 126 11.668 53.297 -17.014 1.00 32.81 N ATOM 973 CA GLY A 126 11.759 54.316 -18.049 1.00 31.95 C ATOM 974 C GLY A 126 11.901 55.703 -17.517 1.00 31.00 C ATOM 975 O GLY A 126 12.151 56.605 -18.289 1.00 35.13 O ATOM 976 N CYS A 127 11.777 55.909 -16.215 1.00 30.72 N ATOM 977 CA CYS A 127 12.034 57.233 -15.660 1.00 29.47 C ATOM 978 C CYS A 127 13.560 57.645 -15.463 1.00 28.77 C ATOM 979 O CYS A 127 14.456 56.858 -15.056 1.00 29.18 O ATOM 980 CB CYS A 127 11.292 57.353 -14.350 1.00 28.77 C ATOM 981 SG CYS A 127 9.551 56.912 -14.488 1.00 29.79 S ATOM 982 N ARG A 128 13.753 58.939 -15.678 1.00 32.81 N ATOM 983 CA ARG A 128 15.104 59.488 -15.514 1.00 34.99 C ATOM 984 C ARG A 128 15.139 60.029 -14.131 1.00 36.37 C ATOM 985 O ARG A 128 14.726 61.166 -13.922 1.00 37.29 O ATOM 986 CB ARG A 128 15.414 60.609 -16.526 1.00 35.27 C ATOM 987 CG ARG A 128 16.753 61.215 -16.402 1.00 39.86 C ATOM 988 CD ARG A 128 17.175 62.096 -17.605 1.00 44.15 C ATOM 989 NE ARG A 128 16.030 62.860 -18.089 1.00 48.39 N ATOM 990 CZ ARG A 128 15.648 62.941 -19.354 1.00 51.36 C ATOM 991 NH1 ARG A 128 16.295 62.253 -20.296 1.00 53.34 N ATOM 992 NH2 ARG A 128 14.580 63.697 -19.676 1.00 53.59 N ATOM 993 N LEU A 129 15.721 59.270 -13.204 1.00 38.47 N ATOM 994 CA LEU A 129 15.674 59.635 -11.755 1.00 40.93 C ATOM 995 C LEU A 129 16.863 60.385 -11.151 1.00 42.94 C ATOM 996 O LEU A 129 16.557 61.642 -11.012 1.00 46.10 O ATOM 997 CB LEU A 129 15.282 58.454 -10.872 1.00 40.66 C ATOM 998 CG LEU A 129 13.768 58.207 -10.688 1.00 43.66 C ATOM 999 CD1 LEU A 129 12.905 59.449 -10.796 1.00 43.70 C ATOM 1000 CD2 LEU A 129 13.255 57.133 -11.637 1.00 47.25 C ATOM 1001 OXT LEU A 129 17.850 59.669 -10.850 1.00 42.11 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -10.344 73.338 12.126 1.00 31.63 O HETATM 1004 O HOH A 131 -7.839 47.914 -2.287 1.00 21.78 O HETATM 1005 O HOH A 132 -1.451 74.218 -3.713 1.00 38.71 O HETATM 1006 O HOH A 133 -13.618 67.522 3.877 1.00 22.77 O HETATM 1007 O HOH A 134 -3.026 68.842 -13.684 1.00 33.23 O HETATM 1008 O HOH A 135 -11.775 67.353 13.769 1.00 29.31 O HETATM 1009 O HOH A 136 -7.541 54.111 0.670 1.00 36.19 O HETATM 1010 O HOH A 137 11.422 50.238 -6.964 1.00 26.61 O HETATM 1011 O HOH A 138 3.191 70.772 0.752 1.00 25.31 O HETATM 1012 O HOH A 139 -13.944 64.250 7.606 1.00 23.79 O HETATM 1013 O HOH A 140 -16.349 60.645 -0.799 1.00 29.30 O HETATM 1014 O HOH A 141 -8.987 56.725 0.275 1.00 33.05 O HETATM 1015 O HOH A 142 -7.832 50.395 -4.777 1.00 33.48 O HETATM 1016 O HOH A 143 -1.200 43.062 -3.634 1.00 29.09 O HETATM 1017 O HOH A 144 14.421 52.019 -15.647 1.00 37.55 O HETATM 1018 O HOH A 145 11.632 60.742 -17.341 1.00 36.14 O HETATM 1019 O HOH A 146 -1.764 62.854 0.927 1.00 27.87 O HETATM 1020 O HOH A 147 6.879 50.531 10.258 1.00 32.00 O HETATM 1021 O HOH A 148 -3.489 59.436 -13.716 1.00 38.93 O HETATM 1022 O HOH A 149 -5.632 52.975 3.611 1.00 30.02 O HETATM 1023 O HOH A 150 -8.315 61.180 -8.294 1.00 27.67 O HETATM 1024 O HOH A 151 5.884 61.981 -16.101 1.00 33.15 O HETATM 1025 O HOH A 152 -7.946 51.108 -10.790 1.00 26.02 O HETATM 1026 O HOH A 153 -9.624 66.163 12.108 1.00 29.61 O HETATM 1027 O HOH A 154 -15.539 53.536 4.621 1.00 34.17 O HETATM 1028 O HOH A 155 9.947 45.157 -7.865 1.00 44.86 O HETATM 1029 O HOH A 156 10.249 45.669 -13.321 1.00 35.21 O HETATM 1030 O HOH A 157 6.181 45.501 -2.261 1.00 30.19 O HETATM 1031 O HOH A 158 4.313 45.069 12.500 1.00 36.75 O HETATM 1032 O HOH A 159 0.993 68.056 0.169 1.00 29.82 O HETATM 1033 O HOH A 160 14.997 55.142 6.274 1.00 34.41 O HETATM 1034 O HOH A 161 2.388 46.847 -9.552 1.00 31.17 O HETATM 1035 O HOH A 162 9.485 45.837 -3.163 1.00 34.87 O HETATM 1036 O HOH A 163 10.828 49.103 8.093 1.00 39.08 O HETATM 1037 O HOH A 164 14.747 59.401 -2.071 1.00 27.01 O HETATM 1038 O HOH A 165 -3.813 57.588 6.434 1.00 27.17 O HETATM 1039 O HOH A 166 -19.183 68.968 6.342 1.00 37.11 O HETATM 1040 O HOH A 167 6.273 69.034 -5.553 1.00 35.42 O HETATM 1041 O HOH A 168 11.721 47.342 -5.416 1.00 36.47 O HETATM 1042 O HOH A 169 14.072 54.426 -14.166 1.00 38.92 O HETATM 1043 O HOH A 170 -1.274 61.175 -14.423 1.00 34.93 O HETATM 1044 O HOH A 171 3.003 37.865 -5.370 1.00 41.39 O HETATM 1045 O HOH A 172 2.165 51.987 9.486 1.00 30.08 O HETATM 1046 O HOH A 173 5.591 75.903 -2.620 1.00 46.18 O HETATM 1047 O HOH A 174 -5.822 54.501 -10.384 1.00 30.43 O HETATM 1048 O HOH A 175 8.355 63.600 8.635 1.00 39.60 O HETATM 1049 O HOH A 176 8.909 66.406 -10.525 1.00 30.90 O HETATM 1050 O HOH A 177 0.829 72.470 1.686 1.00 36.04 O HETATM 1051 O HOH A 178 3.341 67.414 6.814 1.00 33.39 O HETATM 1052 O HOH A 179 6.990 43.598 -4.245 1.00 35.00 O HETATM 1053 O HOH A 180 -4.410 74.446 -3.146 1.00 36.39 O HETATM 1054 O HOH A 181 -4.777 73.376 -0.233 1.00 31.67 O HETATM 1055 O HOH A 182 15.335 64.245 -11.103 1.00 37.48 O HETATM 1056 O HOH A 183 -0.136 52.744 11.613 1.00 42.54 O HETATM 1057 O HOH A 184 5.541 59.473 -17.120 1.00 36.16 O HETATM 1058 O HOH A 185 15.810 57.536 5.032 1.00 48.08 O HETATM 1059 O HOH A 186 4.132 66.459 9.276 1.00 33.07 O HETATM 1060 O HOH A 187 17.362 59.950 -1.666 1.00 39.31 O HETATM 1061 O HOH A 188 7.243 67.680 9.565 1.00 38.96 O HETATM 1062 O HOH A 189 18.307 55.261 -1.567 1.00 46.49 O HETATM 1063 O HOH A 190 -7.597 64.774 13.145 1.00 29.76 O HETATM 1064 O HOH A 191 4.507 69.792 7.266 1.00 35.29 O HETATM 1065 O HOH A 192 7.883 68.389 -9.729 1.00 41.34 O HETATM 1066 O HOH A 193 1.350 40.651 -5.207 1.00 37.97 O HETATM 1067 O HOH A 194 3.402 71.147 14.482 1.00 49.35 O HETATM 1068 O HOH A 195 -1.572 65.478 -2.283 1.00 28.48 O HETATM 1069 O HOH A 196 0.134 67.127 -2.116 1.00 36.77 O HETATM 1070 O HOH A 197 3.944 42.357 -10.978 1.00 41.37 O HETATM 1071 O HOH A 198 2.949 70.921 10.627 1.00 42.67 O HETATM 1072 O HOH A 199 -4.560 41.348 0.092 1.00 35.76 O HETATM 1073 O HOH A 200 3.887 40.882 -13.766 1.00 39.26 O HETATM 1074 O HOH A 201 -0.851 56.060 15.397 1.00 41.80 O HETATM 1075 O HOH A 202 6.476 72.938 -5.355 1.00 43.79 O HETATM 1076 O HOH A 203 -2.798 67.631 -15.669 1.00 40.58 O HETATM 1077 O HOH A 204 -15.207 71.641 14.250 1.00 40.78 O HETATM 1078 O HOH A 205 6.340 44.261 0.253 1.00 29.99 O HETATM 1079 O HOH A 206 17.796 60.544 0.965 1.00 35.08 O HETATM 1080 O HOH A 207 -1.056 39.601 -6.624 1.00 30.60 O HETATM 1081 O HOH A 208 2.505 60.118 -17.910 1.00 43.59 O HETATM 1082 O HOH A 209 5.855 41.225 0.099 1.00 29.56 O HETATM 1083 O HOH A 210 1.044 58.318 -15.631 1.00 44.16 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 356 0 0 8 3 0 0 6 1082 1 8 10 END