Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-NOV-04 1Y3D TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 R67A MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUBTILISIN BPN'; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: SUBTILISIN NOVO; SUBTILISIN DFE; ALKALINE PROTEASE; COMPND 5 EC: 3.4.21.62; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; COMPND 10 CHAIN: I; COMPND 11 ENGINEERED: YES; COMPND 12 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390; SOURCE 4 GENE: APR; SOURCE 5 EXPRESSION_SYSTEM: BACILLUS SUBTILIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 1423; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BG2036; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSER25; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; SOURCE 12 ORGANISM_TAXID: 4513; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 14 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 17 EXPRESSION_SYSTEM_PLASMID: PCI2R67A KEYWDS SERINE PROTEASE; INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.S.RADISKY,C.J.LU,G.KWAN,D.E.KOSHLAND JR. REVDAT 3 11-OCT-17 1Y3D 1 REMARK REVDAT 2 24-FEB-09 1Y3D 1 VERSN REVDAT 1 17-MAY-05 1Y3D 0 JRNL AUTH E.S.RADISKY,C.J.LU,G.KWAN,D.E.KOSHLAND JR. JRNL TITL ROLE OF THE INTRAMOLECULAR HYDROGEN BOND NETWORK IN THE JRNL TITL 2 INHIBITORY POWER OF CHYMOTRYPSIN INHIBITOR 2 JRNL REF BIOCHEMISTRY V. 44 6823 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 15865427 JRNL DOI 10.1021/BI047301W REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 43515 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : INHERITED FROM 1TM3 REMARK 3 R VALUE (WORKING + TEST SET) : 0.148 REMARK 3 R VALUE (WORKING SET) : 0.147 REMARK 3 FREE R VALUE : 0.173 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2274 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3161 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2070 REMARK 3 BIN FREE R VALUE SET COUNT : 168 REMARK 3 BIN FREE R VALUE : 0.2220 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2503 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 95 REMARK 3 SOLVENT ATOMS : 464 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.14 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.07000 REMARK 3 B22 (A**2) : 0.07000 REMARK 3 B33 (A**2) : -0.11000 REMARK 3 B12 (A**2) : 0.04000 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): 0.085 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.085 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.051 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.622 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.958 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2709 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3668 ; 1.794 ; 1.963 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 346 ; 5.811 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 408 ; 0.141 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2025 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1329 ; 0.221 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL 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): 366 ; 0.179 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 8 ; 0.052 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 42 ; 0.420 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 39 ; 0.181 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL 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): 1718 ; 0.965 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2774 ; 1.623 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 991 ; 2.678 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 893 ; 4.444 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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: NULL REMARK 4 REMARK 4 1Y3D COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-04. REMARK 100 THE DEPOSITION ID IS D_1000031064. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-APR-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 5.0.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 43515 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 81.650 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 18.60 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.10800 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 20.8000 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 <I/SIGMA(I)> 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: EPMR REMARK 200 STARTING MODEL: 1TM3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, ISOPROPANOL, PEG REMARK 280 MONOMETHYL ETHER 750, PH 4.6, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 123.71600 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 61.85800 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 92.78700 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 30.92900 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 154.64500 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 123.71600 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 61.85800 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 30.92900 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 92.78700 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 154.64500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2410 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13410 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5820 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25830 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -45.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I 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 350 BIOMT1 2 0.500000 -0.866025 0.000000 94.26500 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 163.27177 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 30.92900 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 HOH E 5216 O HOH E 5308 2.14 REMARK 500 O HOH E 5135 O HOH E 5359 2.16 REMARK 500 O6 CIT E 2001 O6 CIT E 2002 2.17 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 C7 15P E 5001 C7 15P E 5001 9765 1.82 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 E 259 CB - CG - OD2 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP I 64 CB - CG - OD2 ANGL. DEV. = 6.6 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 ASP E 32 -154.05 -172.31 REMARK 500 SER E 63 -23.80 109.62 REMARK 500 ALA E 73 27.96 -154.90 REMARK 500 ASN E 77 -158.63 -161.77 REMARK 500 LEU E 257 -124.31 -116.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 15P E 5001 REMARK 610 15P E 5003 REMARK 610 15P E 5004 REMARK 610 15P I 5002 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E1001 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 163.0 REMARK 620 3 LEU E 75 O 76.5 88.8 REMARK 620 4 ASN E 77 OD1 86.3 85.8 92.9 REMARK 620 5 ILE E 79 O 100.7 92.8 172.9 80.3 REMARK 620 6 VAL E 81 O 92.1 96.8 91.2 175.2 95.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E1002 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY E 169 O REMARK 620 2 TYR E 171 O 92.8 REMARK 620 3 VAL E 174 O 108.5 89.0 REMARK 620 4 HOH E5138 O 104.2 86.2 147.2 REMARK 620 5 HOH E5036 O 108.3 158.8 81.7 91.3 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P I 5002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5004 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Y1K RELATED DB: PDB REMARK 900 RELATED ID: 1Y33 RELATED DB: PDB REMARK 900 RELATED ID: 1Y34 RELATED DB: PDB REMARK 900 RELATED ID: 1Y3B RELATED DB: PDB REMARK 900 RELATED ID: 1Y3C RELATED DB: PDB REMARK 900 RELATED ID: 1Y3F RELATED DB: PDB REMARK 900 RELATED ID: 1Y48 RELATED DB: PDB REMARK 900 RELATED ID: 1Y4A RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y3D E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y3D I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y3D HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y3D HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y3D HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y3D HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y3D HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y3D HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y3D MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y3D ALA I 67 UNP Q40059 ARG 68 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 MET GLU TYR ARG ILE ASP ARG VAL ALA LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1001 1 HET NA E1002 1 HET CIT E2001 13 HET CIT E2002 16 HET CIT E2003 13 HET 15P E5001 11 HET 15P E5003 10 HET 15P E5004 16 HET 15P I5002 17 HETNAM CA CALCIUM ION HETNAM NA SODIUM ION HETNAM CIT CITRIC ACID HETNAM 15P POLYETHYLENE GLYCOL (N=34) HETSYN 15P PEG 1500 FORMUL 3 CA CA 2+ FORMUL 4 NA NA 1+ FORMUL 5 CIT 3(C6 H8 O7) FORMUL 8 15P 4(C69 H140 O35) FORMUL 12 HOH *464(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 GLN E 103 ASN E 117 1 15 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O SER E 89 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O VAL E 198 N GLY E 178 SHEET 1 B 3 SER E 101 GLY E 102 0 SHEET 2 B 3 ILE I 56 THR I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O LEU I 68 N ILE I 49 SHEET 3 D 3 VAL I 82 GLY I 83 -1 O GLY I 83 N ARG I 65 LINK OE1 GLN E 2 CA CA E1001 1555 1555 2.38 LINK OD1 ASP E 41 CA CA E1001 1555 1555 2.45 LINK O LEU E 75 CA CA E1001 1555 1555 2.40 LINK OD1 ASN E 77 CA CA E1001 1555 1555 2.36 LINK O ILE E 79 CA CA E1001 1555 1555 2.42 LINK O VAL E 81 CA CA E1001 1555 1555 2.43 LINK O GLY E 169 NA NA E1002 1555 1555 2.39 LINK O TYR E 171 NA NA E1002 1555 1555 2.36 LINK O VAL E 174 NA NA E1002 1555 1555 2.30 LINK NA NA E1002 O HOH E5138 1555 1555 2.40 LINK NA NA E1002 O HOH E5036 1555 1555 2.44 CISPEP 1 TYR E 167 PRO E 168 0 6.98 SITE 1 AC1 6 GLN E 2 ASP E 41 LEU E 75 ASN E 77 SITE 2 AC1 6 ILE E 79 VAL E 81 SITE 1 AC2 5 GLY E 169 TYR E 171 VAL E 174 HOH E5036 SITE 2 AC2 5 HOH E5138 SITE 1 AC3 13 ALA E 1 TYR E 21 LYS E 237 HIS E 238 SITE 2 AC3 13 ASN E 240 TRP E 241 HIS E 276 CIT E2002 SITE 3 AC3 13 HOH E5032 HOH E5086 HOH E5120 HOH E5314 SITE 4 AC3 13 HOH E5335 SITE 1 AC4 13 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 13 HOH E5064 HOH E5086 HOH E5218 HOH E5226 SITE 3 AC4 13 HOH E5286 HOH E5298 HOH E5314 HOH E5335 SITE 4 AC4 13 HOH E5336 SITE 1 AC5 12 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 12 HOH E5039 HOH E5065 HOH E5090 HOH E5123 SITE 3 AC5 12 HOH E5186 HOH E5211 HOH E5272 HOH E5300 SITE 1 AC6 5 HIS E 17 THR E 22 ASN E 76 HOH E5311 SITE 2 AC6 5 HOH E5346 SITE 1 AC7 14 ASP E 99 HOH E5067 GLN I 47 ILE I 48 SITE 2 AC7 14 ILE I 49 VAL I 57 THR I 58 ARG I 62 SITE 3 AC7 14 ARG I 65 ARG I 81 HOH I5007 HOH I5009 SITE 4 AC7 14 HOH I5049 HOH I5083 SITE 1 AC8 5 VAL E 44 ALA E 45 GLY E 46 PHE E 58 SITE 2 AC8 5 HOH E5315 SITE 1 AC9 6 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC9 6 HOH E5163 HOH E5262 CRYST1 94.265 94.265 185.574 90.00 90.00 120.00 P 65 2 2 12 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 0.010608 0.006125 0.000000 0.00000 SCALE2 0.000000 0.012250 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005389 0.00000 ATOM 1 N ALA E 1 49.242 51.326 36.537 1.00 15.50 N ATOM 2 CA ALA E 1 50.698 51.295 36.122 1.00 15.46 C ATOM 3 C ALA E 1 50.722 51.073 34.613 1.00 15.35 C ATOM 4 O ALA E 1 49.886 50.321 34.052 1.00 14.51 O ATOM 5 CB ALA E 1 51.458 50.148 36.828 1.00 16.06 C ATOM 6 N GLN E 2 51.679 51.717 33.954 1.00 12.42 N ATOM 7 CA GLN E 2 51.901 51.506 32.530 1.00 12.67 C ATOM 8 C GLN E 2 52.762 50.238 32.304 1.00 11.78 C ATOM 9 O GLN E 2 53.603 49.873 33.170 1.00 13.26 O ATOM 10 CB GLN E 2 52.631 52.756 32.007 1.00 11.15 C ATOM 11 CG GLN E 2 53.182 52.672 30.554 1.00 13.03 C ATOM 12 CD GLN E 2 53.677 54.054 30.190 1.00 13.03 C ATOM 13 OE1 GLN E 2 52.900 54.861 29.686 1.00 11.78 O ATOM 14 NE2 GLN E 2 54.940 54.385 30.600 1.00 11.37 N ATOM 15 N SER E 3 52.539 49.561 31.171 1.00 11.72 N ATOM 16 CA SER E 3 53.360 48.417 30.723 1.00 12.08 C ATOM 17 C SER E 3 54.091 48.791 29.442 1.00 11.51 C ATOM 18 O SER E 3 53.558 49.526 28.620 1.00 12.99 O ATOM 19 CB SER E 3 52.474 47.166 30.399 1.00 12.81 C ATOM 20 OG ASER E 3 51.261 47.489 29.820 0.33 14.91 O ATOM 21 OG BSER E 3 53.204 46.097 29.801 0.33 14.97 O ATOM 22 OG CSER E 3 51.583 46.905 31.442 0.33 12.60 O ATOM 23 N VAL E 4 55.287 48.257 29.273 1.00 11.18 N ATOM 24 CA VAL E 4 56.053 48.511 28.049 1.00 11.51 C ATOM 25 C VAL E 4 55.974 47.227 27.215 1.00 11.43 C ATOM 26 O VAL E 4 56.539 46.180 27.638 1.00 13.07 O ATOM 27 CB VAL E 4 57.531 48.815 28.361 1.00 11.21 C ATOM 28 CG1 VAL E 4 58.308 49.068 27.035 1.00 14.20 C ATOM 29 CG2 VAL E 4 57.604 50.040 29.282 1.00 14.73 C ATOM 30 N PRO E 5 55.230 47.248 26.101 1.00 10.30 N ATOM 31 CA PRO E 5 55.084 46.026 25.298 1.00 11.47 C ATOM 32 C PRO E 5 56.478 45.526 24.872 1.00 11.81 C ATOM 33 O PRO E 5 57.419 46.335 24.626 1.00 11.43 O ATOM 34 CB PRO E 5 54.277 46.509 24.088 1.00 11.97 C ATOM 35 CG PRO E 5 53.465 47.732 24.657 1.00 13.58 C ATOM 36 CD PRO E 5 54.496 48.396 25.506 1.00 11.20 C ATOM 37 N TYR E 6 56.628 44.208 24.759 1.00 11.19 N ATOM 38 CA TYR E 6 57.981 43.664 24.511 1.00 12.20 C ATOM 39 C TYR E 6 58.645 44.223 23.254 1.00 12.23 C ATOM 40 O TYR E 6 59.870 44.408 23.231 1.00 12.33 O ATOM 41 CB TYR E 6 57.940 42.113 24.426 1.00 12.62 C ATOM 42 CG TYR E 6 57.557 41.593 23.034 1.00 15.35 C ATOM 43 CD1 TYR E 6 58.545 41.383 22.026 1.00 16.71 C ATOM 44 CD2 TYR E 6 56.222 41.248 22.722 1.00 14.93 C ATOM 45 CE1 TYR E 6 58.177 40.912 20.723 1.00 15.01 C ATOM 46 CE2 TYR E 6 55.877 40.780 21.458 1.00 13.76 C ATOM 47 CZ TYR E 6 56.870 40.601 20.470 1.00 15.81 C ATOM 48 OH TYR E 6 56.521 40.104 19.232 1.00 19.54 O ATOM 49 N GLY E 7 57.845 44.545 22.241 1.00 12.08 N ATOM 50 CA GLY E 7 58.409 44.991 20.970 1.00 11.23 C ATOM 51 C GLY E 7 59.074 46.383 21.090 1.00 11.95 C ATOM 52 O GLY E 7 60.071 46.658 20.397 1.00 11.41 O ATOM 53 N VAL E 8 58.527 47.241 21.945 1.00 11.23 N ATOM 54 CA VAL E 8 59.106 48.576 22.179 1.00 10.92 C ATOM 55 C VAL E 8 60.522 48.378 22.803 1.00 11.53 C ATOM 56 O VAL E 8 61.523 49.030 22.409 1.00 10.93 O ATOM 57 CB VAL E 8 58.194 49.406 23.160 1.00 11.29 C ATOM 58 CG1 VAL E 8 58.850 50.770 23.578 1.00 11.31 C ATOM 59 CG2 VAL E 8 56.864 49.686 22.438 1.00 10.01 C ATOM 60 N SER E 9 60.608 47.459 23.754 1.00 9.95 N ATOM 61 CA SER E 9 61.937 47.104 24.312 1.00 11.91 C ATOM 62 C SER E 9 62.867 46.437 23.308 1.00 11.28 C ATOM 63 O SER E 9 64.077 46.705 23.280 1.00 12.28 O ATOM 64 CB SER E 9 61.765 46.206 25.576 1.00 11.12 C ATOM 65 OG SER E 9 60.983 46.932 26.546 1.00 14.89 O ATOM 66 N GLN E 10 62.312 45.550 22.474 1.00 11.51 N ATOM 67 CA GLN E 10 63.125 44.780 21.544 1.00 11.27 C ATOM 68 C GLN E 10 63.848 45.646 20.499 1.00 12.23 C ATOM 69 O GLN E 10 64.993 45.289 20.102 1.00 13.14 O ATOM 70 CB GLN E 10 62.228 43.720 20.821 1.00 10.93 C ATOM 71 CG GLN E 10 63.017 42.727 19.923 1.00 12.96 C ATOM 72 CD GLN E 10 62.104 41.515 19.582 1.00 18.46 C ATOM 73 OE1 GLN E 10 61.229 41.222 20.360 1.00 23.01 O ATOM 74 NE2 GLN E 10 62.321 40.843 18.459 1.00 16.69 N ATOM 75 N ILE E 11 63.223 46.759 20.062 1.00 11.34 N ATOM 76 CA ILE E 11 63.885 47.642 19.078 1.00 10.68 C ATOM 77 C ILE E 11 64.810 48.697 19.764 1.00 11.71 C ATOM 78 O ILE E 11 65.415 49.525 19.065 1.00 11.37 O ATOM 79 CB ILE E 11 62.854 48.357 18.139 1.00 10.71 C ATOM 80 CG1 ILE E 11 61.971 49.350 18.955 1.00 11.25 C ATOM 81 CG2 ILE E 11 62.013 47.308 17.388 1.00 10.99 C ATOM 82 CD1 ILE E 11 61.177 50.344 18.016 1.00 11.39 C ATOM 83 N LYS E 12 64.912 48.608 21.087 1.00 11.85 N ATOM 84 CA LYS E 12 65.742 49.440 21.977 1.00 12.22 C ATOM 85 C LYS E 12 65.236 50.879 22.048 1.00 11.18 C ATOM 86 O LYS E 12 66.033 51.830 22.245 1.00 11.81 O ATOM 87 CB LYS E 12 67.229 49.358 21.596 1.00 13.34 C ATOM 88 CG LYS E 12 67.705 47.866 21.542 1.00 17.01 C ATOM 89 CD LYS E 12 69.215 47.752 21.483 1.00 24.51 C ATOM 90 CE LYS E 12 69.685 46.283 21.411 1.00 25.67 C ATOM 91 NZ LYS E 12 69.165 45.465 22.585 1.00 31.28 N ATOM 92 N ALA E 13 63.939 51.081 21.872 1.00 11.28 N ATOM 93 CA ALA E 13 63.389 52.433 22.101 1.00 11.85 C ATOM 94 C ALA E 13 63.681 52.989 23.522 1.00 12.05 C ATOM 95 O ALA E 13 63.878 54.196 23.649 1.00 12.77 O ATOM 96 CB ALA E 13 61.834 52.503 21.816 1.00 10.84 C ATOM 97 N PRO E 14 63.638 52.187 24.597 1.00 11.81 N ATOM 98 CA PRO E 14 63.919 52.758 25.932 1.00 12.16 C ATOM 99 C PRO E 14 65.292 53.445 26.041 1.00 12.24 C ATOM 100 O PRO E 14 65.429 54.380 26.846 1.00 12.81 O ATOM 101 CB PRO E 14 63.865 51.516 26.855 1.00 13.33 C ATOM 102 CG PRO E 14 62.681 50.647 26.142 1.00 12.97 C ATOM 103 CD PRO E 14 63.217 50.748 24.682 1.00 11.32 C ATOM 104 N ALA E 15 66.280 52.998 25.260 1.00 12.63 N ATOM 105 CA ALA E 15 67.573 53.708 25.239 1.00 13.15 C ATOM 106 C ALA E 15 67.437 55.153 24.774 1.00 14.27 C ATOM 107 O ALA E 15 68.102 56.055 25.338 1.00 15.50 O ATOM 108 CB ALA E 15 68.603 52.976 24.371 1.00 13.80 C ATOM 109 N LEU E 16 66.582 55.403 23.791 1.00 12.14 N ATOM 110 CA LEU E 16 66.340 56.780 23.344 1.00 12.64 C ATOM 111 C LEU E 16 65.572 57.540 24.424 1.00 12.75 C ATOM 112 O LEU E 16 65.879 58.724 24.705 1.00 12.15 O ATOM 113 CB LEU E 16 65.515 56.841 22.032 1.00 11.77 C ATOM 114 CG LEU E 16 66.290 56.813 20.699 1.00 13.78 C ATOM 115 CD1 LEU E 16 66.878 58.214 20.419 1.00 14.09 C ATOM 116 CD2 LEU E 16 67.431 55.751 20.736 1.00 14.00 C ATOM 117 N HIS E 17 64.538 56.892 25.015 1.00 11.71 N ATOM 118 CA HIS E 17 63.763 57.554 26.059 1.00 10.91 C ATOM 119 C HIS E 17 64.673 57.998 27.219 1.00 11.34 C ATOM 120 O HIS E 17 64.495 59.117 27.732 1.00 13.12 O ATOM 121 CB HIS E 17 62.696 56.601 26.630 1.00 10.87 C ATOM 122 CG HIS E 17 61.688 56.171 25.585 1.00 12.28 C ATOM 123 ND1 HIS E 17 60.795 55.147 25.813 1.00 14.47 N ATOM 124 CD2 HIS E 17 61.460 56.607 24.317 1.00 10.68 C ATOM 125 CE1 HIS E 17 60.063 54.957 24.718 1.00 16.14 C ATOM 126 NE2 HIS E 17 60.448 55.823 23.791 1.00 12.30 N ATOM 127 N SER E 18 65.641 57.158 27.578 1.00 11.01 N ATOM 128 CA SER E 18 66.516 57.473 28.720 1.00 11.65 C ATOM 129 C SER E 18 67.474 58.612 28.370 1.00 11.85 C ATOM 130 O SER E 18 67.922 59.314 29.276 1.00 11.69 O ATOM 131 CB SER E 18 67.332 56.274 29.227 1.00 12.28 C ATOM 132 OG ASER E 18 66.562 55.212 29.682 0.50 13.97 O ATOM 133 OG BSER E 18 68.223 55.807 28.281 0.50 10.75 O ATOM 134 N GLN E 19 67.831 58.749 27.087 1.00 11.52 N ATOM 135 CA GLN E 19 68.610 59.948 26.624 1.00 10.98 C ATOM 136 C GLN E 19 67.785 61.226 26.597 1.00 12.08 C ATOM 137 O GLN E 19 68.352 62.309 26.452 1.00 12.24 O ATOM 138 CB GLN E 19 69.167 59.715 25.219 1.00 11.62 C ATOM 139 CG GLN E 19 70.148 58.537 25.078 1.00 13.56 C ATOM 140 CD GLN E 19 70.483 58.277 23.567 1.00 18.61 C ATOM 141 OE1 GLN E 19 70.643 59.209 22.848 1.00 23.31 O ATOM 142 NE2 GLN E 19 70.500 57.014 23.112 1.00 20.34 N ATOM 143 N GLY E 20 66.453 61.114 26.737 1.00 13.07 N ATOM 144 CA GLY E 20 65.572 62.278 26.744 1.00 12.85 C ATOM 145 C GLY E 20 64.782 62.496 25.469 1.00 13.93 C ATOM 146 O GLY E 20 64.150 63.556 25.300 1.00 15.03 O ATOM 147 N TYR E 21 64.769 61.495 24.571 1.00 12.31 N ATOM 148 CA TYR E 21 64.184 61.710 23.228 1.00 11.43 C ATOM 149 C TYR E 21 63.000 60.783 23.022 1.00 12.25 C ATOM 150 O TYR E 21 63.094 59.561 23.276 1.00 12.87 O ATOM 151 CB TYR E 21 65.220 61.476 22.103 1.00 11.25 C ATOM 152 CG TYR E 21 66.282 62.522 22.182 1.00 11.47 C ATOM 153 CD1 TYR E 21 65.955 63.858 21.901 1.00 12.17 C ATOM 154 CD2 TYR E 21 67.580 62.206 22.601 1.00 14.82 C ATOM 155 CE1 TYR E 21 66.914 64.859 22.021 1.00 18.11 C ATOM 156 CE2 TYR E 21 68.563 63.237 22.739 1.00 15.56 C ATOM 157 CZ TYR E 21 68.193 64.534 22.453 1.00 16.26 C ATOM 158 OH TYR E 21 69.104 65.556 22.535 1.00 18.50 O ATOM 159 N THR E 22 61.862 61.380 22.670 1.00 12.50 N ATOM 160 CA THR E 22 60.605 60.638 22.647 1.00 11.98 C ATOM 161 C THR E 22 59.754 61.013 21.429 1.00 11.71 C ATOM 162 O THR E 22 58.568 60.690 21.418 1.00 11.73 O ATOM 163 CB THR E 22 59.730 60.976 23.906 1.00 12.04 C ATOM 164 OG1 THR E 22 59.621 62.414 24.054 1.00 14.26 O ATOM 165 CG2 THR E 22 60.362 60.447 25.212 1.00 13.82 C ATOM 166 N GLY E 23 60.345 61.640 20.415 1.00 11.89 N ATOM 167 CA GLY E 23 59.598 62.021 19.228 1.00 12.26 C ATOM 168 C GLY E 23 58.928 63.403 19.323 1.00 13.73 C ATOM 169 O GLY E 23 58.089 63.729 18.472 1.00 13.45 O ATOM 170 N SER E 24 59.293 64.215 20.321 1.00 13.66 N ATOM 171 CA SER E 24 58.663 65.552 20.451 1.00 15.17 C ATOM 172 C SER E 24 58.758 66.393 19.190 1.00 15.00 C ATOM 173 O SER E 24 59.805 66.433 18.537 1.00 14.81 O ATOM 174 CB SER E 24 59.293 66.358 21.587 1.00 16.21 C ATOM 175 OG ASER E 24 59.182 65.673 22.809 0.67 15.58 O ATOM 176 OG BSER E 24 58.398 67.397 21.970 0.33 15.21 O ATOM 177 N ASN E 25 57.641 67.005 18.826 1.00 17.14 N ATOM 178 CA ASN E 25 57.555 67.909 17.656 1.00 18.71 C ATOM 179 C ASN E 25 57.710 67.210 16.313 1.00 18.75 C ATOM 180 O ASN E 25 57.876 67.872 15.291 1.00 21.32 O ATOM 181 CB ASN E 25 58.586 69.044 17.739 1.00 21.00 C ATOM 182 CG ASN E 25 58.402 69.857 18.984 1.00 28.06 C ATOM 183 OD1 ASN E 25 57.273 70.208 19.318 1.00 33.13 O ATOM 184 ND2 ASN E 25 59.497 70.128 19.705 1.00 33.36 N ATOM 185 N VAL E 26 57.689 65.885 16.290 1.00 14.84 N ATOM 186 CA VAL E 26 57.763 65.204 15.018 1.00 13.43 C ATOM 187 C VAL E 26 56.323 64.822 14.607 1.00 13.99 C ATOM 188 O VAL E 26 55.583 64.225 15.404 1.00 13.86 O ATOM 189 CB VAL E 26 58.621 63.901 15.124 1.00 13.95 C ATOM 190 CG1 VAL E 26 58.697 63.180 13.743 1.00 13.86 C ATOM 191 CG2 VAL E 26 60.045 64.236 15.616 1.00 15.43 C ATOM 192 N LYS E 27 55.951 65.128 13.377 1.00 13.49 N ATOM 193 CA LYS E 27 54.558 64.909 12.940 1.00 14.15 C ATOM 194 C LYS E 27 54.500 63.567 12.208 1.00 14.33 C ATOM 195 O LYS E 27 55.172 63.388 11.207 1.00 14.54 O ATOM 196 CB LYS E 27 54.158 66.046 11.979 1.00 14.67 C ATOM 197 CG LYS E 27 54.055 67.383 12.709 1.00 16.64 C ATOM 198 CD LYS E 27 53.539 68.469 11.688 1.00 21.27 C ATOM 199 CE LYS E 27 53.319 69.779 12.376 1.00 29.21 C ATOM 200 NZ LYS E 27 54.666 70.382 12.480 1.00 34.29 N ATOM 201 N VAL E 28 53.653 62.652 12.705 1.00 13.14 N ATOM 202 CA VAL E 28 53.531 61.317 12.119 1.00 12.19 C ATOM 203 C VAL E 28 52.072 61.100 11.718 1.00 12.94 C ATOM 204 O VAL E 28 51.174 61.174 12.558 1.00 13.84 O ATOM 205 CB VAL E 28 53.881 60.223 13.159 1.00 12.64 C ATOM 206 CG1 VAL E 28 53.806 58.820 12.500 1.00 12.82 C ATOM 207 CG2 VAL E 28 55.279 60.524 13.770 1.00 12.46 C ATOM 208 N ALA E 29 51.871 60.823 10.432 1.00 14.33 N ATOM 209 CA ALA E 29 50.548 60.499 9.916 1.00 14.45 C ATOM 210 C ALA E 29 50.363 58.990 9.912 1.00 14.29 C ATOM 211 O ALA E 29 51.130 58.283 9.282 1.00 15.26 O ATOM 212 CB ALA E 29 50.353 61.070 8.490 1.00 13.99 C ATOM 213 N VAL E 30 49.335 58.525 10.610 1.00 14.71 N ATOM 214 CA VAL E 30 48.918 57.124 10.548 1.00 14.09 C ATOM 215 C VAL E 30 47.814 57.076 9.487 1.00 13.85 C ATOM 216 O VAL E 30 46.690 57.521 9.712 1.00 14.59 O ATOM 217 CB VAL E 30 48.434 56.640 11.930 1.00 15.43 C ATOM 218 CG1 VAL E 30 47.887 55.212 11.859 1.00 13.31 C ATOM 219 CG2 VAL E 30 49.682 56.686 12.928 1.00 13.48 C ATOM 220 N ILE E 31 48.175 56.559 8.320 1.00 14.15 N ATOM 221 CA ILE E 31 47.257 56.561 7.166 1.00 14.23 C ATOM 222 C ILE E 31 46.587 55.185 7.232 1.00 13.83 C ATOM 223 O ILE E 31 47.234 54.171 6.997 1.00 13.57 O ATOM 224 CB ILE E 31 48.047 56.776 5.868 1.00 14.22 C ATOM 225 CG1 ILE E 31 48.710 58.177 5.897 1.00 15.02 C ATOM 226 CG2 ILE E 31 47.065 56.581 4.580 1.00 15.22 C ATOM 227 CD1 ILE E 31 49.312 58.643 4.508 1.00 14.47 C ATOM 228 N ASP E 32 45.315 55.167 7.605 1.00 13.95 N ATOM 229 CA ASP E 32 44.744 53.932 8.147 1.00 14.24 C ATOM 230 C ASP E 32 43.221 54.097 8.326 1.00 14.97 C ATOM 231 O ASP E 32 42.581 54.896 7.622 1.00 14.37 O ATOM 232 CB ASP E 32 45.439 53.584 9.497 1.00 13.56 C ATOM 233 CG ASP E 32 45.557 52.085 9.754 1.00 15.15 C ATOM 234 OD1 ASP E 32 44.474 51.445 9.911 1.00 14.76 O ATOM 235 OD2 ASP E 32 46.693 51.467 9.807 1.00 15.09 O ATOM 236 N SER E 33 42.650 53.339 9.253 1.00 14.60 N ATOM 237 CA SER E 33 41.185 53.361 9.467 1.00 15.12 C ATOM 238 C SER E 33 40.673 54.434 10.420 1.00 15.96 C ATOM 239 O SER E 33 39.523 54.351 10.921 1.00 16.17 O ATOM 240 CB SER E 33 40.755 51.951 9.925 1.00 15.36 C ATOM 241 OG SER E 33 41.072 51.708 11.326 1.00 15.81 O ATOM 242 N GLY E 34 41.484 55.473 10.670 1.00 15.32 N ATOM 243 CA GLY E 34 41.146 56.442 11.700 1.00 15.07 C ATOM 244 C GLY E 34 41.891 56.197 13.023 1.00 16.24 C ATOM 245 O GLY E 34 42.606 55.213 13.139 1.00 14.88 O ATOM 246 N ILE E 35 41.707 57.081 14.007 1.00 14.33 N ATOM 247 CA ILE E 35 42.265 56.828 15.357 1.00 14.74 C ATOM 248 C ILE E 35 41.230 57.256 16.348 1.00 14.67 C ATOM 249 O ILE E 35 40.737 58.376 16.244 1.00 15.58 O ATOM 250 CB ILE E 35 43.557 57.660 15.620 1.00 12.89 C ATOM 251 CG1 ILE E 35 44.634 57.393 14.535 1.00 14.66 C ATOM 252 CG2 ILE E 35 44.117 57.275 17.021 1.00 13.02 C ATOM 253 CD1 ILE E 35 45.879 58.350 14.647 1.00 13.74 C ATOM 254 N ASP E 36 40.928 56.423 17.337 1.00 15.50 N ATOM 255 CA ASP E 36 39.979 56.817 18.374 1.00 15.48 C ATOM 256 C ASP E 36 40.622 57.863 19.302 1.00 16.93 C ATOM 257 O ASP E 36 41.362 57.518 20.215 1.00 15.73 O ATOM 258 CB ASP E 36 39.570 55.594 19.178 1.00 15.49 C ATOM 259 CG ASP E 36 38.527 55.930 20.263 1.00 19.05 C ATOM 260 OD1 ASP E 36 38.112 57.111 20.400 1.00 20.68 O ATOM 261 OD2 ASP E 36 38.129 55.065 21.040 1.00 24.20 O ATOM 262 N SER E 37 40.327 59.130 19.048 1.00 18.60 N ATOM 263 CA SER E 37 40.928 60.240 19.816 1.00 20.48 C ATOM 264 C SER E 37 40.427 60.328 21.250 1.00 20.43 C ATOM 265 O SER E 37 41.059 61.033 22.050 1.00 24.02 O ATOM 266 CB SER E 37 40.672 61.584 19.114 1.00 21.24 C ATOM 267 OG SER E 37 39.278 61.875 19.135 1.00 24.60 O ATOM 268 N SER E 38 39.340 59.632 21.594 1.00 18.59 N ATOM 269 CA SER E 38 38.883 59.582 22.999 1.00 18.20 C ATOM 270 C SER E 38 39.710 58.660 23.905 1.00 16.82 C ATOM 271 O SER E 38 39.455 58.608 25.110 1.00 16.32 O ATOM 272 CB SER E 38 37.415 59.144 23.112 1.00 17.76 C ATOM 273 OG ASER E 38 37.231 57.802 22.699 0.50 20.11 O ATOM 274 OG BSER E 38 36.553 60.132 22.594 0.50 19.93 O ATOM 275 N HIS E 39 40.619 57.862 23.323 1.00 14.20 N ATOM 276 CA HIS E 39 41.344 56.878 24.136 1.00 14.21 C ATOM 277 C HIS E 39 42.267 57.680 25.095 1.00 14.39 C ATOM 278 O HIS E 39 43.010 58.529 24.586 1.00 14.54 O ATOM 279 CB HIS E 39 42.225 55.996 23.244 1.00 12.31 C ATOM 280 CG HIS E 39 42.646 54.719 23.922 1.00 14.37 C ATOM 281 ND1 HIS E 39 43.460 54.698 25.038 1.00 13.86 N ATOM 282 CD2 HIS E 39 42.309 53.432 23.672 1.00 12.04 C ATOM 283 CE1 HIS E 39 43.612 53.447 25.442 1.00 12.86 C ATOM 284 NE2 HIS E 39 42.931 52.658 24.620 1.00 12.55 N ATOM 285 N PRO E 40 42.251 57.400 26.404 1.00 14.38 N ATOM 286 CA PRO E 40 43.079 58.177 27.348 1.00 14.79 C ATOM 287 C PRO E 40 44.575 57.914 27.187 1.00 14.84 C ATOM 288 O PRO E 40 45.370 58.712 27.691 1.00 14.14 O ATOM 289 CB PRO E 40 42.603 57.728 28.730 1.00 15.66 C ATOM 290 CG PRO E 40 42.089 56.344 28.504 1.00 15.00 C ATOM 291 CD PRO E 40 41.425 56.391 27.114 1.00 15.09 C ATOM 292 N ASP E 41 44.957 56.887 26.434 1.00 13.07 N ATOM 293 CA ASP E 41 46.398 56.631 26.235 1.00 13.94 C ATOM 294 C ASP E 41 46.916 57.122 24.893 1.00 13.59 C ATOM 295 O ASP E 41 48.020 56.734 24.470 1.00 12.50 O ATOM 296 CB ASP E 41 46.671 55.123 26.409 1.00 13.60 C ATOM 297 CG ASP E 41 48.098 54.825 26.910 1.00 14.97 C ATOM 298 OD1 ASP E 41 48.701 55.679 27.567 1.00 13.15 O ATOM 299 OD2 ASP E 41 48.649 53.742 26.645 1.00 16.02 O ATOM 300 N LEU E 42 46.121 57.955 24.204 1.00 12.90 N ATOM 301 CA LEU E 42 46.564 58.552 22.935 1.00 13.65 C ATOM 302 C LEU E 42 46.273 60.043 22.972 1.00 14.85 C ATOM 303 O LEU E 42 45.282 60.504 23.593 1.00 15.66 O ATOM 304 CB LEU E 42 45.794 57.921 21.718 1.00 13.20 C ATOM 305 CG LEU E 42 45.987 56.432 21.482 1.00 11.67 C ATOM 306 CD1 LEU E 42 45.053 55.971 20.351 1.00 13.06 C ATOM 307 CD2 LEU E 42 47.452 56.125 21.106 1.00 12.72 C ATOM 308 N LYS E 43 47.113 60.810 22.309 1.00 15.04 N ATOM 309 CA LYS E 43 46.787 62.207 22.034 1.00 16.56 C ATOM 310 C LYS E 43 46.827 62.446 20.541 1.00 16.97 C ATOM 311 O LYS E 43 47.884 62.345 19.913 1.00 18.65 O ATOM 312 CB LYS E 43 47.801 63.120 22.729 1.00 16.25 C ATOM 313 CG LYS E 43 47.513 64.632 22.475 1.00 20.23 C ATOM 314 CD LYS E 43 48.587 65.457 23.208 1.00 29.03 C ATOM 315 CE LYS E 43 48.171 66.912 23.464 1.00 34.09 C ATOM 316 NZ LYS E 43 49.412 67.641 23.924 1.00 38.15 N ATOM 317 N VAL E 44 45.691 62.734 19.925 1.00 16.41 N ATOM 318 CA VAL E 44 45.694 62.960 18.486 1.00 16.57 C ATOM 319 C VAL E 44 45.757 64.457 18.199 1.00 18.02 C ATOM 320 O VAL E 44 44.909 65.219 18.692 1.00 16.94 O ATOM 321 CB VAL E 44 44.436 62.364 17.811 1.00 16.70 C ATOM 322 CG1 VAL E 44 44.432 62.626 16.284 1.00 17.56 C ATOM 323 CG2 VAL E 44 44.354 60.857 18.077 1.00 17.60 C ATOM 324 N ALA E 45 46.718 64.862 17.383 1.00 16.81 N ATOM 325 CA ALA E 45 46.975 66.294 17.142 1.00 17.42 C ATOM 326 C ALA E 45 46.102 66.876 16.010 1.00 18.59 C ATOM 327 O ALA E 45 45.923 68.108 15.924 1.00 19.61 O ATOM 328 CB ALA E 45 48.469 66.521 16.757 1.00 16.70 C ATOM 329 N GLY E 46 45.643 66.041 15.090 1.00 17.67 N ATOM 330 CA GLY E 46 44.945 66.560 13.919 1.00 17.74 C ATOM 331 C GLY E 46 44.667 65.409 12.978 1.00 18.05 C ATOM 332 O GLY E 46 44.896 64.243 13.322 1.00 17.08 O ATOM 333 N GLY E 47 44.144 65.717 11.800 1.00 17.93 N ATOM 334 CA GLY E 47 43.883 64.667 10.830 1.00 17.13 C ATOM 335 C GLY E 47 42.803 65.050 9.843 1.00 18.91 C ATOM 336 O GLY E 47 42.336 66.194 9.847 1.00 18.16 O ATOM 337 N ALA E 48 42.442 64.111 8.980 1.00 18.47 N ATOM 338 CA ALA E 48 41.443 64.398 7.934 1.00 18.47 C ATOM 339 C ALA E 48 40.956 63.059 7.457 1.00 18.92 C ATOM 340 O ALA E 48 41.713 62.081 7.496 1.00 17.48 O ATOM 341 CB ALA E 48 42.089 65.180 6.783 1.00 18.49 C ATOM 342 N SER E 49 39.691 62.989 7.011 1.00 18.34 N ATOM 343 CA SER E 49 39.207 61.765 6.386 1.00 18.66 C ATOM 344 C SER E 49 39.053 61.846 4.870 1.00 19.81 C ATOM 345 O SER E 49 38.508 62.823 4.342 1.00 20.26 O ATOM 346 CB SER E 49 37.869 61.317 6.995 1.00 18.95 C ATOM 347 OG SER E 49 37.436 60.168 6.250 1.00 19.22 O ATOM 348 N MET E 50 39.549 60.838 4.174 1.00 18.94 N ATOM 349 CA MET E 50 39.364 60.699 2.723 1.00 20.18 C ATOM 350 C MET E 50 38.288 59.681 2.349 1.00 21.23 C ATOM 351 O MET E 50 38.182 59.313 1.165 1.00 22.79 O ATOM 352 CB MET E 50 40.668 60.230 2.085 1.00 19.48 C ATOM 353 CG MET E 50 41.883 61.041 2.484 1.00 20.66 C ATOM 354 SD MET E 50 41.664 62.811 2.142 1.00 25.26 S ATOM 355 CE MET E 50 42.451 63.533 3.581 1.00 25.90 C ATOM 356 N VAL E 51 37.567 59.167 3.341 1.00 20.68 N ATOM 357 CA VAL E 51 36.581 58.121 3.105 1.00 23.11 C ATOM 358 C VAL E 51 35.218 58.830 2.949 1.00 23.73 C ATOM 359 O VAL E 51 34.726 59.433 3.910 1.00 22.95 O ATOM 360 CB VAL E 51 36.537 57.090 4.270 1.00 23.53 C ATOM 361 CG1 VAL E 51 35.367 56.062 4.074 1.00 24.76 C ATOM 362 CG2 VAL E 51 37.899 56.341 4.375 1.00 20.66 C ATOM 363 N PRO E 52 34.641 58.792 1.744 1.00 25.95 N ATOM 364 CA PRO E 52 33.440 59.609 1.449 1.00 27.22 C ATOM 365 C PRO E 52 32.290 59.381 2.442 1.00 28.24 C ATOM 366 O PRO E 52 31.655 60.353 2.843 1.00 29.34 O ATOM 367 CB PRO E 52 33.057 59.180 0.023 1.00 28.65 C ATOM 368 CG PRO E 52 34.357 58.695 -0.582 1.00 28.17 C ATOM 369 CD PRO E 52 35.104 58.031 0.569 1.00 25.38 C ATOM 370 N SER E 53 32.033 58.144 2.858 1.00 28.82 N ATOM 371 CA SER E 53 30.921 57.902 3.775 1.00 30.62 C ATOM 372 C SER E 53 31.261 57.889 5.281 1.00 30.53 C ATOM 373 O SER E 53 30.380 57.638 6.130 1.00 30.11 O ATOM 374 CB SER E 53 30.227 56.590 3.426 1.00 31.86 C ATOM 375 OG SER E 53 31.082 55.498 3.726 1.00 36.28 O ATOM 376 N GLU E 54 32.521 58.162 5.631 1.00 29.06 N ATOM 377 CA GLU E 54 32.921 58.176 7.041 1.00 28.19 C ATOM 378 C GLU E 54 33.807 59.375 7.214 1.00 27.71 C ATOM 379 O GLU E 54 35.033 59.253 7.055 1.00 28.19 O ATOM 380 CB GLU E 54 33.741 56.940 7.384 1.00 29.25 C ATOM 381 CG GLU E 54 32.964 55.654 7.479 1.00 31.21 C ATOM 382 CD GLU E 54 33.815 54.502 8.037 1.00 35.63 C ATOM 383 OE1 GLU E 54 34.676 54.727 8.956 1.00 36.69 O ATOM 384 OE2 GLU E 54 33.607 53.368 7.569 1.00 34.78 O ATOM 385 N THR E 55 33.201 60.523 7.500 1.00 26.08 N ATOM 386 CA THR E 55 33.900 61.798 7.399 1.00 26.00 C ATOM 387 C THR E 55 34.684 62.181 8.646 1.00 23.92 C ATOM 388 O THR E 55 35.389 63.193 8.629 1.00 23.96 O ATOM 389 CB THR E 55 32.904 62.955 7.092 1.00 26.77 C ATOM 390 OG1 THR E 55 31.923 62.995 8.127 1.00 28.83 O ATOM 391 CG2 THR E 55 32.096 62.674 5.797 1.00 29.02 C ATOM 392 N ASN E 56 34.554 61.411 9.726 1.00 22.82 N ATOM 393 CA ASN E 56 35.269 61.740 10.952 1.00 21.59 C ATOM 394 C ASN E 56 36.534 60.862 11.112 1.00 20.13 C ATOM 395 O ASN E 56 36.398 59.676 11.392 1.00 18.72 O ATOM 396 CB ASN E 56 34.355 61.502 12.146 1.00 22.26 C ATOM 397 CG ASN E 56 34.948 62.020 13.468 1.00 23.93 C ATOM 398 OD1 ASN E 56 36.105 62.426 13.555 1.00 22.68 O ATOM 399 ND2 ASN E 56 34.122 62.016 14.505 1.00 25.90 N ATOM 400 N PRO E 57 37.729 61.434 10.974 1.00 19.61 N ATOM 401 CA PRO E 57 38.952 60.620 11.115 1.00 19.65 C ATOM 402 C PRO E 57 39.250 60.210 12.576 1.00 18.78 C ATOM 403 O PRO E 57 40.139 59.336 12.794 1.00 17.28 O ATOM 404 CB PRO E 57 40.048 61.558 10.585 1.00 18.13 C ATOM 405 CG PRO E 57 39.549 62.952 10.969 1.00 20.46 C ATOM 406 CD PRO E 57 38.044 62.851 10.710 1.00 19.51 C ATOM 407 N PHE E 58 38.526 60.805 13.547 1.00 18.85 N ATOM 408 CA PHE E 58 38.751 60.582 14.982 1.00 19.27 C ATOM 409 C PHE E 58 37.823 59.528 15.554 1.00 19.60 C ATOM 410 O PHE E 58 37.762 59.312 16.758 1.00 19.93 O ATOM 411 CB PHE E 58 38.665 61.926 15.719 1.00 18.93 C ATOM 412 CG PHE E 58 39.485 63.008 15.065 1.00 21.33 C ATOM 413 CD1 PHE E 58 40.866 62.834 14.841 1.00 18.36 C ATOM 414 CD2 PHE E 58 38.877 64.207 14.653 1.00 20.49 C ATOM 415 CE1 PHE E 58 41.616 63.828 14.239 1.00 20.95 C ATOM 416 CE2 PHE E 58 39.612 65.225 14.033 1.00 23.88 C ATOM 417 CZ PHE E 58 40.997 65.051 13.821 1.00 23.73 C ATOM 418 N GLN E 59 37.094 58.869 14.651 1.00 19.18 N ATOM 419 CA GLN E 59 36.241 57.741 14.959 1.00 20.94 C ATOM 420 C GLN E 59 36.795 56.570 14.161 1.00 20.72 C ATOM 421 O GLN E 59 36.860 56.614 12.909 1.00 20.73 O ATOM 422 CB GLN E 59 34.772 58.030 14.530 1.00 22.62 C ATOM 423 CG GLN E 59 33.816 56.804 14.730 1.00 27.34 C ATOM 424 CD AGLN E 59 32.340 57.168 14.754 0.50 29.22 C ATOM 425 CD BGLN E 59 33.487 56.524 16.196 0.50 29.80 C ATOM 426 OE1AGLN E 59 31.953 58.191 15.312 0.50 32.38 O ATOM 427 OE1BGLN E 59 33.505 57.428 17.028 0.50 32.75 O ATOM 428 NE2AGLN E 59 31.513 56.311 14.175 0.50 30.75 N ATOM 429 NE2BGLN E 59 33.190 55.259 16.511 0.50 31.48 N ATOM 430 N ASP E 60 37.189 55.512 14.875 1.00 17.95 N ATOM 431 CA ASP E 60 37.789 54.367 14.217 1.00 18.03 C ATOM 432 C ASP E 60 36.841 53.191 14.421 1.00 18.56 C ATOM 433 O ASP E 60 36.787 52.587 15.486 1.00 17.50 O ATOM 434 CB ASP E 60 39.186 54.084 14.829 1.00 18.04 C ATOM 435 CG ASP E 60 39.769 52.756 14.358 1.00 17.35 C ATOM 436 OD1 ASP E 60 39.260 52.122 13.370 1.00 17.72 O ATOM 437 OD2 ASP E 60 40.760 52.263 14.948 1.00 14.97 O ATOM 438 N ASN E 61 36.027 52.930 13.398 1.00 19.77 N ATOM 439 CA ASN E 61 35.045 51.855 13.436 1.00 21.73 C ATOM 440 C ASN E 61 35.587 50.465 13.110 1.00 21.24 C ATOM 441 O ASN E 61 34.828 49.512 13.083 1.00 22.43 O ATOM 442 CB ASN E 61 33.925 52.223 12.439 1.00 23.92 C ATOM 443 CG ASN E 61 33.194 53.467 12.868 1.00 26.19 C ATOM 444 OD1 ASN E 61 32.671 53.518 13.986 1.00 30.99 O ATOM 445 ND2 ASN E 61 33.200 54.486 12.021 1.00 30.02 N ATOM 446 N ASN E 62 36.886 50.349 12.841 1.00 17.82 N ATOM 447 CA ASN E 62 37.504 49.057 12.546 1.00 16.18 C ATOM 448 C ASN E 62 38.302 48.503 13.756 1.00 16.83 C ATOM 449 O ASN E 62 38.126 47.333 14.147 1.00 16.67 O ATOM 450 CB ASN E 62 38.440 49.231 11.321 1.00 16.01 C ATOM 451 CG ASN E 62 39.172 47.991 10.975 1.00 16.35 C ATOM 452 OD1 ASN E 62 40.082 47.583 11.685 1.00 17.20 O ATOM 453 ND2 ASN E 62 38.747 47.322 9.891 1.00 17.16 N ATOM 454 N SER E 63 39.133 49.397 14.329 1.00 15.56 N ATOM 455 CA SER E 63 40.074 49.176 15.481 1.00 15.32 C ATOM 456 C SER E 63 41.551 49.192 15.066 1.00 14.55 C ATOM 457 O SER E 63 42.451 49.461 15.903 1.00 14.98 O ATOM 458 CB SER E 63 39.790 47.890 16.287 1.00 15.15 C ATOM 459 OG SER E 63 40.325 46.748 15.617 1.00 17.11 O ATOM 460 N HIS E 64 41.801 48.902 13.793 1.00 13.97 N ATOM 461 CA HIS E 64 43.172 48.701 13.282 1.00 13.22 C ATOM 462 C HIS E 64 44.003 49.983 13.404 1.00 13.21 C ATOM 463 O HIS E 64 45.142 49.921 13.902 1.00 12.95 O ATOM 464 CB HIS E 64 43.100 48.245 11.814 1.00 13.20 C ATOM 465 CG HIS E 64 44.431 47.986 11.161 1.00 13.42 C ATOM 466 ND1 HIS E 64 45.122 48.956 10.465 1.00 13.40 N ATOM 467 CD2 HIS E 64 45.155 46.845 11.041 1.00 13.67 C ATOM 468 CE1 HIS E 64 46.214 48.420 9.944 1.00 13.21 C ATOM 469 NE2 HIS E 64 46.256 47.140 10.271 1.00 13.96 N ATOM 470 N GLY E 65 43.469 51.118 12.949 1.00 12.61 N ATOM 471 CA GLY E 65 44.290 52.344 12.972 1.00 12.84 C ATOM 472 C GLY E 65 44.650 52.769 14.406 1.00 13.00 C ATOM 473 O GLY E 65 45.721 53.368 14.666 1.00 12.98 O ATOM 474 N THR E 66 43.743 52.515 15.335 1.00 13.32 N ATOM 475 CA THR E 66 43.956 52.877 16.743 1.00 13.16 C ATOM 476 C THR E 66 45.076 51.978 17.322 1.00 13.18 C ATOM 477 O THR E 66 45.908 52.437 18.114 1.00 12.09 O ATOM 478 CB THR E 66 42.649 52.676 17.538 1.00 13.08 C ATOM 479 OG1 THR E 66 41.672 53.638 17.067 1.00 15.02 O ATOM 480 CG2 THR E 66 42.873 52.998 19.061 1.00 14.05 C ATOM 481 N HIS E 67 45.096 50.710 16.934 1.00 12.31 N ATOM 482 CA HIS E 67 46.149 49.800 17.438 1.00 11.64 C ATOM 483 C HIS E 67 47.522 50.268 16.863 1.00 12.47 C ATOM 484 O HIS E 67 48.540 50.376 17.602 1.00 12.63 O ATOM 485 CB HIS E 67 45.825 48.359 17.017 1.00 11.07 C ATOM 486 CG HIS E 67 46.657 47.319 17.690 1.00 11.73 C ATOM 487 ND1 HIS E 67 47.955 47.027 17.308 1.00 10.64 N ATOM 488 CD2 HIS E 67 46.399 46.546 18.771 1.00 10.54 C ATOM 489 CE1 HIS E 67 48.446 46.093 18.101 1.00 10.35 C ATOM 490 NE2 HIS E 67 47.526 45.792 19.008 1.00 10.92 N ATOM 491 N VAL E 68 47.564 50.508 15.549 1.00 10.83 N ATOM 492 CA VAL E 68 48.782 50.986 14.902 1.00 10.46 C ATOM 493 C VAL E 68 49.254 52.285 15.563 1.00 11.80 C ATOM 494 O VAL E 68 50.479 52.432 15.868 1.00 11.06 O ATOM 495 CB VAL E 68 48.568 51.173 13.382 1.00 10.98 C ATOM 496 CG1 VAL E 68 49.745 51.948 12.711 1.00 10.56 C ATOM 497 CG2 VAL E 68 48.322 49.744 12.743 1.00 10.40 C ATOM 498 N ALA E 69 48.302 53.193 15.799 1.00 12.35 N ATOM 499 CA ALA E 69 48.675 54.484 16.429 1.00 11.90 C ATOM 500 C ALA E 69 49.344 54.282 17.799 1.00 12.22 C ATOM 501 O ALA E 69 50.275 55.023 18.145 1.00 11.61 O ATOM 502 CB ALA E 69 47.452 55.393 16.558 1.00 12.51 C ATOM 503 N GLY E 70 48.804 53.373 18.640 1.00 10.50 N ATOM 504 CA GLY E 70 49.374 53.123 19.967 1.00 10.74 C ATOM 505 C GLY E 70 50.791 52.582 19.918 1.00 11.48 C ATOM 506 O GLY E 70 51.618 52.867 20.818 1.00 11.89 O ATOM 507 N THR E 71 51.114 51.794 18.895 1.00 10.77 N ATOM 508 CA THR E 71 52.505 51.339 18.786 1.00 10.41 C ATOM 509 C THR E 71 53.406 52.531 18.427 1.00 11.59 C ATOM 510 O THR E 71 54.522 52.672 18.977 1.00 11.54 O ATOM 511 CB THR E 71 52.617 50.268 17.709 1.00 11.74 C ATOM 512 OG1 THR E 71 51.874 49.114 18.171 1.00 11.79 O ATOM 513 CG2 THR E 71 54.094 49.824 17.509 1.00 10.57 C ATOM 514 N VAL E 72 52.931 53.381 17.534 1.00 10.12 N ATOM 515 CA VAL E 72 53.725 54.597 17.226 1.00 10.34 C ATOM 516 C VAL E 72 53.919 55.457 18.489 1.00 11.43 C ATOM 517 O VAL E 72 55.035 55.936 18.742 1.00 13.02 O ATOM 518 CB VAL E 72 53.071 55.492 16.138 1.00 10.51 C ATOM 519 CG1 VAL E 72 54.020 56.742 15.797 1.00 11.52 C ATOM 520 CG2 VAL E 72 52.871 54.655 14.840 1.00 10.14 C ATOM 521 N ALA E 73 52.839 55.742 19.214 1.00 11.19 N ATOM 522 CA ALA E 73 52.862 56.945 20.084 1.00 11.76 C ATOM 523 C ALA E 73 51.903 56.867 21.274 1.00 11.82 C ATOM 524 O ALA E 73 51.521 57.922 21.851 1.00 11.88 O ATOM 525 CB ALA E 73 52.547 58.220 19.208 1.00 12.11 C ATOM 526 N ALA E 74 51.597 55.659 21.766 1.00 11.56 N ATOM 527 CA ALA E 74 50.825 55.652 23.043 1.00 10.69 C ATOM 528 C ALA E 74 51.580 56.482 24.126 1.00 10.99 C ATOM 529 O ALA E 74 52.815 56.416 24.250 1.00 10.30 O ATOM 530 CB ALA E 74 50.561 54.226 23.542 1.00 10.82 C ATOM 531 N LEU E 75 50.821 57.221 24.916 1.00 10.49 N ATOM 532 CA LEU E 75 51.412 58.258 25.802 1.00 10.78 C ATOM 533 C LEU E 75 52.244 57.655 26.946 1.00 11.42 C ATOM 534 O LEU E 75 51.977 56.540 27.434 1.00 11.16 O ATOM 535 CB LEU E 75 50.269 59.067 26.449 1.00 11.34 C ATOM 536 CG LEU E 75 49.480 59.906 25.408 1.00 11.24 C ATOM 537 CD1 LEU E 75 48.279 60.523 26.180 1.00 12.22 C ATOM 538 CD2 LEU E 75 50.368 60.994 24.759 1.00 12.84 C ATOM 539 N ASN E 76 53.243 58.432 27.388 1.00 11.32 N ATOM 540 CA ASN E 76 54.066 58.037 28.513 1.00 12.21 C ATOM 541 C ASN E 76 53.411 58.584 29.785 1.00 13.10 C ATOM 542 O ASN E 76 53.402 59.809 30.039 1.00 13.99 O ATOM 543 CB ASN E 76 55.469 58.629 28.336 1.00 12.54 C ATOM 544 CG ASN E 76 56.410 58.225 29.479 1.00 13.12 C ATOM 545 OD1 ASN E 76 56.193 57.189 30.128 1.00 12.59 O ATOM 546 ND2 ASN E 76 57.461 59.072 29.756 1.00 13.71 N ATOM 547 N ASN E 77 52.835 57.692 30.570 1.00 11.85 N ATOM 548 CA ASN E 77 52.033 58.096 31.726 1.00 11.89 C ATOM 549 C ASN E 77 51.917 56.871 32.642 1.00 12.70 C ATOM 550 O ASN E 77 52.792 55.969 32.585 1.00 12.67 O ATOM 551 CB ASN E 77 50.652 58.650 31.282 1.00 11.90 C ATOM 552 CG ASN E 77 49.911 57.700 30.361 1.00 13.43 C ATOM 553 OD1 ASN E 77 50.178 56.485 30.376 1.00 11.42 O ATOM 554 ND2 ASN E 77 48.950 58.242 29.568 1.00 13.32 N ATOM 555 N SER E 78 50.902 56.828 33.527 1.00 12.18 N ATOM 556 CA SER E 78 50.798 55.660 34.409 1.00 13.41 C ATOM 557 C SER E 78 49.702 54.661 33.986 1.00 13.10 C ATOM 558 O SER E 78 49.228 53.867 34.795 1.00 13.23 O ATOM 559 CB SER E 78 50.602 56.102 35.873 1.00 15.64 C ATOM 560 OG SER E 78 49.366 56.808 35.987 1.00 17.10 O ATOM 561 N ILE E 79 49.317 54.685 32.716 1.00 13.89 N ATOM 562 CA ILE E 79 48.310 53.749 32.239 1.00 14.29 C ATOM 563 C ILE E 79 48.686 53.029 30.978 1.00 14.39 C ATOM 564 O ILE E 79 49.511 53.484 30.199 1.00 12.47 O ATOM 565 CB ILE E 79 46.944 54.471 31.978 1.00 15.37 C ATOM 566 CG1 ILE E 79 47.089 55.504 30.895 1.00 16.27 C ATOM 567 CG2 ILE E 79 46.456 55.171 33.262 1.00 15.51 C ATOM 568 CD1 ILE E 79 45.686 55.920 30.222 1.00 19.19 C ATOM 569 N GLY E 80 48.013 51.910 30.757 1.00 12.99 N ATOM 570 CA GLY E 80 48.023 51.304 29.444 1.00 12.99 C ATOM 571 C GLY E 80 49.395 50.827 28.983 1.00 12.80 C ATOM 572 O GLY E 80 50.157 50.230 29.746 1.00 13.16 O ATOM 573 N VAL E 81 49.701 51.145 27.722 1.00 12.64 N ATOM 574 CA VAL E 81 50.988 50.775 27.137 1.00 12.89 C ATOM 575 C VAL E 81 51.818 52.053 26.938 1.00 13.45 C ATOM 576 O VAL E 81 51.313 53.172 27.109 1.00 15.89 O ATOM 577 CB VAL E 81 50.801 50.026 25.787 1.00 12.59 C ATOM 578 CG1 VAL E 81 50.180 48.596 26.014 1.00 13.57 C ATOM 579 CG2 VAL E 81 49.937 50.844 24.787 1.00 11.62 C ATOM 580 N LEU E 82 53.061 51.893 26.545 1.00 14.28 N ATOM 581 CA LEU E 82 53.954 53.008 26.156 1.00 12.13 C ATOM 582 C LEU E 82 54.257 52.862 24.677 1.00 13.02 C ATOM 583 O LEU E 82 54.591 51.748 24.223 1.00 13.73 O ATOM 584 CB LEU E 82 55.271 52.848 26.953 1.00 11.98 C ATOM 585 CG LEU E 82 56.419 53.834 26.615 1.00 12.65 C ATOM 586 CD1 LEU E 82 55.906 55.257 26.989 1.00 12.02 C ATOM 587 CD2 LEU E 82 57.708 53.488 27.433 1.00 13.14 C ATOM 588 N GLY E 83 54.193 53.962 23.918 1.00 11.95 N ATOM 589 CA GLY E 83 54.505 53.923 22.495 1.00 11.65 C ATOM 590 C GLY E 83 56.007 54.041 22.232 1.00 12.40 C ATOM 591 O GLY E 83 56.798 54.361 23.144 1.00 11.95 O ATOM 592 N VAL E 84 56.390 53.725 20.998 1.00 11.66 N ATOM 593 CA VAL E 84 57.805 53.886 20.603 1.00 11.15 C ATOM 594 C VAL E 84 58.231 55.375 20.724 1.00 11.18 C ATOM 595 O VAL E 84 59.324 55.647 21.226 1.00 11.18 O ATOM 596 CB VAL E 84 58.075 53.354 19.186 1.00 10.99 C ATOM 597 CG1 VAL E 84 59.498 53.700 18.727 1.00 11.49 C ATOM 598 CG2 VAL E 84 57.878 51.765 19.153 1.00 11.28 C ATOM 599 N ALA E 85 57.374 56.294 20.263 1.00 10.39 N ATOM 600 CA ALA E 85 57.639 57.732 20.227 1.00 11.50 C ATOM 601 C ALA E 85 56.455 58.458 20.936 1.00 10.49 C ATOM 602 O ALA E 85 55.597 59.031 20.274 1.00 10.32 O ATOM 603 CB ALA E 85 57.821 58.228 18.717 1.00 11.44 C ATOM 604 N PRO E 86 56.409 58.369 22.269 1.00 10.19 N ATOM 605 CA PRO E 86 55.213 58.757 23.034 1.00 11.74 C ATOM 606 C PRO E 86 54.935 60.271 23.014 1.00 12.31 C ATOM 607 O PRO E 86 53.821 60.626 23.350 1.00 12.65 O ATOM 608 CB PRO E 86 55.531 58.294 24.455 1.00 11.92 C ATOM 609 CG PRO E 86 57.078 58.253 24.515 1.00 12.40 C ATOM 610 CD PRO E 86 57.448 57.777 23.151 1.00 11.02 C ATOM 611 N SER E 87 55.904 61.108 22.604 1.00 12.60 N ATOM 612 CA SER E 87 55.633 62.545 22.418 1.00 13.44 C ATOM 613 C SER E 87 55.358 62.990 20.995 1.00 13.23 C ATOM 614 O SER E 87 55.206 64.204 20.740 1.00 13.66 O ATOM 615 CB SER E 87 56.809 63.399 22.942 1.00 12.63 C ATOM 616 OG SER E 87 56.991 63.156 24.325 1.00 14.76 O ATOM 617 N ALA E 88 55.316 62.058 20.048 1.00 12.93 N ATOM 618 CA ALA E 88 55.069 62.448 18.650 1.00 12.94 C ATOM 619 C ALA E 88 53.708 63.143 18.472 1.00 14.41 C ATOM 620 O ALA E 88 52.755 62.889 19.222 1.00 15.32 O ATOM 621 CB ALA E 88 55.144 61.197 17.728 1.00 13.54 C ATOM 622 N SER E 89 53.649 64.036 17.481 1.00 14.04 N ATOM 623 CA SER E 89 52.390 64.677 17.079 1.00 14.78 C ATOM 624 C SER E 89 51.727 63.721 16.131 1.00 14.26 C ATOM 625 O SER E 89 52.206 63.477 15.030 1.00 14.42 O ATOM 626 CB SER E 89 52.667 66.041 16.411 1.00 14.90 C ATOM 627 OG SER E 89 53.194 66.929 17.393 1.00 17.50 O ATOM 628 N LEU E 90 50.622 63.148 16.586 1.00 14.33 N ATOM 629 CA LEU E 90 49.999 62.023 15.909 1.00 14.59 C ATOM 630 C LEU E 90 48.817 62.510 15.055 1.00 14.55 C ATOM 631 O LEU E 90 47.922 63.152 15.572 1.00 15.94 O ATOM 632 CB LEU E 90 49.529 61.045 17.006 1.00 15.09 C ATOM 633 CG LEU E 90 48.862 59.721 16.702 1.00 19.47 C ATOM 634 CD1 LEU E 90 49.910 58.850 15.931 1.00 18.57 C ATOM 635 CD2 LEU E 90 48.389 59.008 17.974 1.00 18.00 C ATOM 636 N TYR E 91 48.798 62.181 13.767 1.00 13.62 N ATOM 637 CA TYR E 91 47.698 62.620 12.867 1.00 14.55 C ATOM 638 C TYR E 91 46.906 61.439 12.334 1.00 15.00 C ATOM 639 O TYR E 91 47.475 60.476 11.813 1.00 14.68 O ATOM 640 CB TYR E 91 48.241 63.453 11.696 1.00 13.61 C ATOM 641 CG TYR E 91 48.793 64.751 12.207 1.00 13.92 C ATOM 642 CD1 TYR E 91 50.045 64.782 12.826 1.00 13.94 C ATOM 643 CD2 TYR E 91 48.033 65.933 12.170 1.00 15.97 C ATOM 644 CE1 TYR E 91 50.572 65.972 13.365 1.00 14.48 C ATOM 645 CE2 TYR E 91 48.539 67.128 12.740 1.00 16.88 C ATOM 646 CZ TYR E 91 49.821 67.129 13.303 1.00 17.45 C ATOM 647 OH TYR E 91 50.376 68.278 13.857 1.00 21.50 O ATOM 648 N ALA E 92 45.593 61.474 12.523 1.00 15.13 N ATOM 649 CA ALA E 92 44.706 60.424 11.994 1.00 15.39 C ATOM 650 C ALA E 92 44.305 60.750 10.541 1.00 15.69 C ATOM 651 O ALA E 92 43.506 61.670 10.314 1.00 16.50 O ATOM 652 CB ALA E 92 43.414 60.349 12.875 1.00 14.51 C ATOM 653 N VAL E 93 44.843 60.012 9.566 1.00 15.06 N ATOM 654 CA VAL E 93 44.524 60.256 8.154 1.00 15.29 C ATOM 655 C VAL E 93 43.723 59.050 7.710 1.00 15.30 C ATOM 656 O VAL E 93 44.286 58.008 7.382 1.00 15.23 O ATOM 657 CB VAL E 93 45.806 60.443 7.307 1.00 15.90 C ATOM 658 CG1 VAL E 93 45.453 60.719 5.806 1.00 16.06 C ATOM 659 CG2 VAL E 93 46.641 61.594 7.904 1.00 15.34 C ATOM 660 N LYS E 94 42.389 59.179 7.760 1.00 16.36 N ATOM 661 CA LYS E 94 41.537 58.021 7.565 1.00 16.12 C ATOM 662 C LYS E 94 41.323 57.821 6.068 1.00 17.20 C ATOM 663 O LYS E 94 40.761 58.704 5.395 1.00 17.06 O ATOM 664 CB LYS E 94 40.176 58.239 8.262 1.00 16.01 C ATOM 665 CG LYS E 94 39.235 57.039 8.042 1.00 18.40 C ATOM 666 CD LYS E 94 37.812 57.381 8.512 1.00 24.33 C ATOM 667 CE LYS E 94 37.586 56.929 9.874 1.00 27.94 C ATOM 668 NZ LYS E 94 36.100 56.886 10.273 1.00 24.63 N ATOM 669 N VAL E 95 41.799 56.681 5.571 1.00 15.99 N ATOM 670 CA VAL E 95 41.648 56.295 4.176 1.00 17.32 C ATOM 671 C VAL E 95 41.002 54.919 3.992 1.00 17.16 C ATOM 672 O VAL E 95 40.833 54.470 2.833 1.00 17.16 O ATOM 673 CB VAL E 95 42.986 56.282 3.433 1.00 16.67 C ATOM 674 CG1 VAL E 95 43.669 57.719 3.587 1.00 14.66 C ATOM 675 CG2 VAL E 95 43.912 55.135 3.940 1.00 15.67 C ATOM 676 N LEU E 96 40.734 54.238 5.110 1.00 17.25 N ATOM 677 CA LEU E 96 40.074 52.908 5.109 1.00 17.99 C ATOM 678 C LEU E 96 38.743 53.043 5.862 1.00 18.36 C ATOM 679 O LEU E 96 38.675 53.704 6.894 1.00 18.45 O ATOM 680 CB LEU E 96 40.935 51.851 5.825 1.00 17.49 C ATOM 681 CG LEU E 96 42.389 51.705 5.333 1.00 18.42 C ATOM 682 CD1 LEU E 96 43.153 50.687 6.181 1.00 16.20 C ATOM 683 CD2 LEU E 96 42.424 51.352 3.817 1.00 17.13 C ATOM 684 N GLY E 97 37.682 52.420 5.350 1.00 20.20 N ATOM 685 CA GLY E 97 36.415 52.414 6.063 1.00 20.49 C ATOM 686 C GLY E 97 36.412 51.356 7.137 1.00 22.21 C ATOM 687 O GLY E 97 37.426 50.621 7.326 1.00 22.24 O ATOM 688 N ALA E 98 35.293 51.281 7.864 1.00 20.57 N ATOM 689 CA ALA E 98 35.089 50.261 8.895 1.00 21.33 C ATOM 690 C ALA E 98 35.479 48.847 8.485 1.00 20.95 C ATOM 691 O ALA E 98 35.945 48.042 9.327 1.00 18.94 O ATOM 692 CB ALA E 98 33.614 50.261 9.381 1.00 21.43 C ATOM 693 N ASP E 99 35.265 48.521 7.200 1.00 21.19 N ATOM 694 CA ASP E 99 35.499 47.150 6.756 1.00 20.82 C ATOM 695 C ASP E 99 36.970 46.866 6.465 1.00 20.73 C ATOM 696 O ASP E 99 37.305 45.773 6.040 1.00 20.30 O ATOM 697 CB ASP E 99 34.581 46.736 5.569 1.00 22.64 C ATOM 698 CG ASP E 99 34.879 47.482 4.269 1.00 26.23 C ATOM 699 OD1 ASP E 99 35.907 48.213 4.157 1.00 23.77 O ATOM 700 OD2 ASP E 99 34.098 47.394 3.270 1.00 27.80 O ATOM 701 N GLY E 100 37.843 47.862 6.684 1.00 19.68 N ATOM 702 CA GLY E 100 39.272 47.633 6.526 1.00 18.56 C ATOM 703 C GLY E 100 39.809 47.868 5.123 1.00 18.82 C ATOM 704 O GLY E 100 40.961 47.583 4.866 1.00 17.51 O ATOM 705 N SER E 101 38.978 48.393 4.206 1.00 18.40 N ATOM 706 CA SER E 101 39.375 48.528 2.805 1.00 17.80 C ATOM 707 C SER E 101 39.226 49.962 2.322 1.00 16.75 C ATOM 708 O SER E 101 38.404 50.701 2.831 1.00 18.77 O ATOM 709 CB SER E 101 38.532 47.593 1.936 1.00 17.91 C ATOM 710 OG ASER E 101 37.272 48.195 1.747 0.67 18.08 O ATOM 711 OG BSER E 101 38.425 48.069 0.604 0.33 17.72 O ATOM 712 N GLY E 102 40.065 50.366 1.375 1.00 17.57 N ATOM 713 CA GLY E 102 39.951 51.690 0.787 1.00 18.11 C ATOM 714 C GLY E 102 40.269 51.628 -0.700 1.00 18.46 C ATOM 715 O GLY E 102 41.058 50.793 -1.166 1.00 19.27 O ATOM 716 N GLN E 103 39.665 52.548 -1.443 1.00 20.32 N ATOM 717 CA GLN E 103 39.996 52.736 -2.856 1.00 21.63 C ATOM 718 C GLN E 103 41.386 53.369 -3.011 1.00 21.93 C ATOM 719 O GLN E 103 41.807 54.180 -2.154 1.00 22.14 O ATOM 720 CB AGLN E 103 38.909 53.602 -3.516 0.67 22.03 C ATOM 721 CB BGLN E 103 38.928 53.604 -3.541 0.33 21.69 C ATOM 722 CG AGLN E 103 37.546 52.875 -3.544 0.67 25.17 C ATOM 723 CG BGLN E 103 37.599 52.870 -3.840 0.33 23.44 C ATOM 724 CD AGLN E 103 36.446 53.625 -4.259 0.67 30.11 C ATOM 725 CD BGLN E 103 37.773 51.656 -4.747 0.33 25.04 C ATOM 726 OE1AGLN E 103 36.703 54.476 -5.114 0.67 31.20 O ATOM 727 OE1BGLN E 103 38.563 51.684 -5.692 0.33 27.24 O ATOM 728 NE2AGLN E 103 35.207 53.309 -3.909 0.67 32.98 N ATOM 729 NE2BGLN E 103 37.043 50.585 -4.455 0.33 27.78 N ATOM 730 N TYR E 104 42.108 53.029 -4.093 1.00 20.09 N ATOM 731 CA TYR E 104 43.421 53.643 -4.297 1.00 20.60 C ATOM 732 C TYR E 104 43.370 55.185 -4.212 1.00 20.94 C ATOM 733 O TYR E 104 44.231 55.795 -3.595 1.00 19.72 O ATOM 734 CB TYR E 104 44.078 53.202 -5.631 1.00 20.62 C ATOM 735 CG TYR E 104 44.770 51.848 -5.571 1.00 22.90 C ATOM 736 CD1 TYR E 104 44.076 50.704 -5.149 1.00 26.96 C ATOM 737 CD2 TYR E 104 46.127 51.695 -5.943 1.00 24.46 C ATOM 738 CE1 TYR E 104 44.689 49.461 -5.104 1.00 25.95 C ATOM 739 CE2 TYR E 104 46.754 50.420 -5.890 1.00 25.67 C ATOM 740 CZ TYR E 104 46.011 49.320 -5.472 1.00 27.71 C ATOM 741 OH TYR E 104 46.577 48.065 -5.374 1.00 30.97 O ATOM 742 N SER E 105 42.378 55.813 -4.825 1.00 20.74 N ATOM 743 CA SER E 105 42.314 57.263 -4.775 1.00 21.77 C ATOM 744 C SER E 105 42.209 57.815 -3.335 1.00 20.53 C ATOM 745 O SER E 105 42.705 58.914 -3.075 1.00 20.17 O ATOM 746 CB SER E 105 41.141 57.798 -5.615 1.00 22.49 C ATOM 747 OG SER E 105 39.923 57.309 -5.074 1.00 24.42 O ATOM 748 N TRP E 106 41.578 57.081 -2.423 1.00 19.70 N ATOM 749 CA TRP E 106 41.492 57.511 -1.018 1.00 19.67 C ATOM 750 C TRP E 106 42.880 57.485 -0.343 1.00 19.42 C ATOM 751 O TRP E 106 43.266 58.443 0.350 1.00 19.33 O ATOM 752 CB TRP E 106 40.542 56.615 -0.216 1.00 19.53 C ATOM 753 CG TRP E 106 39.125 56.453 -0.792 1.00 21.91 C ATOM 754 CD1 TRP E 106 38.556 57.129 -1.877 1.00 22.71 C ATOM 755 CD2 TRP E 106 38.117 55.561 -0.307 1.00 21.03 C ATOM 756 NE1 TRP E 106 37.260 56.689 -2.063 1.00 24.27 N ATOM 757 CE2 TRP E 106 36.968 55.720 -1.131 1.00 23.85 C ATOM 758 CE3 TRP E 106 38.062 54.642 0.757 1.00 20.41 C ATOM 759 CZ2 TRP E 106 35.796 54.980 -0.936 1.00 24.81 C ATOM 760 CZ3 TRP E 106 36.897 53.891 0.947 1.00 23.68 C ATOM 761 CH2 TRP E 106 35.773 54.074 0.105 1.00 23.36 C ATOM 762 N ILE E 107 43.621 56.403 -0.553 1.00 19.03 N ATOM 763 CA ILE E 107 44.991 56.306 -0.001 1.00 18.34 C ATOM 764 C ILE E 107 45.853 57.452 -0.593 1.00 19.04 C ATOM 765 O ILE E 107 46.547 58.187 0.152 1.00 18.26 O ATOM 766 CB ILE E 107 45.613 54.908 -0.334 1.00 19.46 C ATOM 767 CG1 ILE E 107 45.120 53.813 0.643 1.00 20.90 C ATOM 768 CG2 ILE E 107 47.145 54.924 -0.208 1.00 19.86 C ATOM 769 CD1 ILE E 107 43.643 53.505 0.639 1.00 21.08 C ATOM 770 N ILE E 108 45.782 57.635 -1.920 1.00 18.30 N ATOM 771 CA ILE E 108 46.536 58.714 -2.570 1.00 18.86 C ATOM 772 C ILE E 108 46.137 60.092 -2.013 1.00 18.45 C ATOM 773 O ILE E 108 47.022 60.924 -1.712 1.00 18.79 O ATOM 774 CB ILE E 108 46.384 58.630 -4.153 1.00 20.01 C ATOM 775 CG1 ILE E 108 47.103 57.394 -4.708 1.00 19.36 C ATOM 776 CG2 ILE E 108 46.923 59.957 -4.833 1.00 19.94 C ATOM 777 CD1 ILE E 108 46.552 56.945 -6.149 1.00 21.49 C ATOM 778 N ASN E 109 44.838 60.348 -1.850 1.00 17.86 N ATOM 779 CA ASN E 109 44.393 61.609 -1.251 1.00 19.03 C ATOM 780 C ASN E 109 44.966 61.808 0.179 1.00 18.83 C ATOM 781 O ASN E 109 45.316 62.939 0.600 1.00 17.87 O ATOM 782 CB ASN E 109 42.861 61.717 -1.228 1.00 18.80 C ATOM 783 CG ASN E 109 42.277 62.000 -2.631 1.00 24.34 C ATOM 784 OD1 ASN E 109 42.981 62.457 -3.515 1.00 26.60 O ATOM 785 ND2 ASN E 109 41.005 61.693 -2.824 1.00 25.95 N ATOM 786 N GLY E 110 45.086 60.704 0.917 1.00 18.00 N ATOM 787 CA GLY E 110 45.652 60.799 2.266 1.00 17.10 C ATOM 788 C GLY E 110 47.154 61.122 2.243 1.00 16.29 C ATOM 789 O GLY E 110 47.657 61.931 3.074 1.00 16.35 O ATOM 790 N ILE E 111 47.884 60.467 1.340 1.00 15.05 N ATOM 791 CA ILE E 111 49.303 60.760 1.170 1.00 16.16 C ATOM 792 C ILE E 111 49.466 62.239 0.768 1.00 17.26 C ATOM 793 O ILE E 111 50.320 62.941 1.317 1.00 16.13 O ATOM 794 CB ILE E 111 49.960 59.826 0.113 1.00 16.21 C ATOM 795 CG1 ILE E 111 49.924 58.366 0.603 1.00 15.80 C ATOM 796 CG2 ILE E 111 51.425 60.269 -0.208 1.00 15.55 C ATOM 797 CD1 ILE E 111 50.144 57.333 -0.516 1.00 16.57 C ATOM 798 N GLU E 112 48.657 62.704 -0.197 1.00 17.46 N ATOM 799 CA GLU E 112 48.694 64.133 -0.553 1.00 18.47 C ATOM 800 C GLU E 112 48.390 65.065 0.616 1.00 18.15 C ATOM 801 O GLU E 112 49.086 66.092 0.770 1.00 18.52 O ATOM 802 CB GLU E 112 47.744 64.431 -1.763 1.00 19.37 C ATOM 803 CG GLU E 112 48.169 63.708 -3.023 1.00 21.57 C ATOM 804 CD GLU E 112 49.275 64.413 -3.824 1.00 30.86 C ATOM 805 OE1 GLU E 112 49.877 65.438 -3.347 1.00 30.40 O ATOM 806 OE2 GLU E 112 49.547 63.936 -4.964 1.00 33.92 O ATOM 807 N TRP E 113 47.395 64.731 1.445 1.00 16.88 N ATOM 808 CA TRP E 113 47.073 65.539 2.627 1.00 17.37 C ATOM 809 C TRP E 113 48.345 65.602 3.531 1.00 17.44 C ATOM 810 O TRP E 113 48.729 66.674 4.030 1.00 16.61 O ATOM 811 CB TRP E 113 45.883 64.963 3.410 1.00 16.92 C ATOM 812 CG TRP E 113 45.496 65.765 4.560 1.00 18.41 C ATOM 813 CD1 TRP E 113 44.550 66.755 4.574 1.00 20.09 C ATOM 814 CD2 TRP E 113 46.070 65.735 5.884 1.00 19.89 C ATOM 815 NE1 TRP E 113 44.480 67.315 5.827 1.00 20.11 N ATOM 816 CE2 TRP E 113 45.409 66.719 6.648 1.00 21.56 C ATOM 817 CE3 TRP E 113 47.075 64.960 6.505 1.00 20.08 C ATOM 818 CZ2 TRP E 113 45.699 66.954 8.013 1.00 20.81 C ATOM 819 CZ3 TRP E 113 47.397 65.216 7.865 1.00 19.05 C ATOM 820 CH2 TRP E 113 46.690 66.198 8.604 1.00 18.22 C ATOM 821 N ALA E 114 48.985 64.451 3.709 1.00 16.70 N ATOM 822 CA ALA E 114 50.152 64.391 4.611 1.00 16.53 C ATOM 823 C ALA E 114 51.260 65.288 4.095 1.00 17.63 C ATOM 824 O ALA E 114 51.887 66.004 4.887 1.00 17.67 O ATOM 825 CB ALA E 114 50.623 62.937 4.761 1.00 16.87 C ATOM 826 N ILE E 115 51.488 65.272 2.769 1.00 17.86 N ATOM 827 CA ILE E 115 52.513 66.141 2.153 1.00 18.46 C ATOM 828 C ILE E 115 52.155 67.611 2.398 1.00 19.84 C ATOM 829 O ILE E 115 53.017 68.417 2.833 1.00 19.98 O ATOM 830 CB ILE E 115 52.661 65.858 0.644 1.00 18.18 C ATOM 831 CG1 ILE E 115 53.175 64.441 0.392 1.00 19.17 C ATOM 832 CG2 ILE E 115 53.662 66.858 -0.005 1.00 19.48 C ATOM 833 CD1 ILE E 115 53.037 63.968 -1.107 1.00 17.29 C ATOM 834 N ALA E 116 50.885 67.953 2.150 1.00 19.46 N ATOM 835 CA ALA E 116 50.420 69.367 2.223 1.00 20.97 C ATOM 836 C ALA E 116 50.456 69.893 3.644 1.00 21.15 C ATOM 837 O ALA E 116 50.554 71.107 3.864 1.00 20.64 O ATOM 838 CB ALA E 116 48.988 69.500 1.670 1.00 22.00 C ATOM 839 N ASN E 117 50.380 68.981 4.629 1.00 19.43 N ATOM 840 CA ASN E 117 50.366 69.357 6.022 1.00 19.38 C ATOM 841 C ASN E 117 51.711 69.119 6.756 1.00 18.27 C ATOM 842 O ASN E 117 51.771 69.159 7.984 1.00 18.81 O ATOM 843 CB ASN E 117 49.174 68.683 6.707 1.00 19.25 C ATOM 844 CG ASN E 117 47.850 69.347 6.307 1.00 21.47 C ATOM 845 OD1 ASN E 117 47.401 70.290 6.966 1.00 24.61 O ATOM 846 ND2 ASN E 117 47.253 68.887 5.217 1.00 19.88 N ATOM 847 N ASN E 118 52.771 68.952 5.970 1.00 17.99 N ATOM 848 CA ASN E 118 54.157 68.909 6.449 1.00 18.01 C ATOM 849 C ASN E 118 54.410 67.774 7.453 1.00 17.66 C ATOM 850 O ASN E 118 55.141 67.936 8.417 1.00 16.97 O ATOM 851 CB ASN E 118 54.599 70.277 7.032 1.00 19.83 C ATOM 852 CG ASN E 118 54.370 71.417 6.013 1.00 23.91 C ATOM 853 OD1 ASN E 118 54.919 71.384 4.940 1.00 27.17 O ATOM 854 ND2 ASN E 118 53.519 72.379 6.349 1.00 32.28 N ATOM 855 N MET E 119 53.848 66.605 7.175 1.00 16.02 N ATOM 856 CA MET E 119 54.142 65.448 8.011 1.00 15.56 C ATOM 857 C MET E 119 55.610 65.056 7.803 1.00 15.07 C ATOM 858 O MET E 119 56.136 65.134 6.695 1.00 15.90 O ATOM 859 CB MET E 119 53.243 64.261 7.609 1.00 16.00 C ATOM 860 CG MET E 119 51.735 64.459 7.853 1.00 14.55 C ATOM 861 SD MET E 119 51.319 64.625 9.578 1.00 16.37 S ATOM 862 CE MET E 119 50.724 66.433 9.639 1.00 13.85 C ATOM 863 N ASP E 120 56.266 64.655 8.885 1.00 13.60 N ATOM 864 CA ASP E 120 57.659 64.191 8.828 1.00 13.42 C ATOM 865 C ASP E 120 57.761 62.694 8.506 1.00 12.74 C ATOM 866 O ASP E 120 58.762 62.250 7.933 1.00 12.59 O ATOM 867 CB ASP E 120 58.320 64.436 10.202 1.00 13.46 C ATOM 868 CG ASP E 120 58.363 65.925 10.541 1.00 17.57 C ATOM 869 OD1 ASP E 120 58.989 66.680 9.746 1.00 17.21 O ATOM 870 OD2 ASP E 120 57.750 66.422 11.506 1.00 15.77 O ATOM 871 N VAL E 121 56.729 61.939 8.897 1.00 12.09 N ATOM 872 CA VAL E 121 56.713 60.478 8.750 1.00 11.45 C ATOM 873 C VAL E 121 55.295 60.066 8.374 1.00 12.34 C ATOM 874 O VAL E 121 54.322 60.589 8.954 1.00 13.19 O ATOM 875 CB VAL E 121 57.067 59.770 10.115 1.00 11.15 C ATOM 876 CG1 VAL E 121 57.119 58.226 9.941 1.00 11.93 C ATOM 877 CG2 VAL E 121 58.435 60.292 10.723 1.00 11.76 C ATOM 878 N ILE E 122 55.189 59.108 7.455 1.00 12.36 N ATOM 879 CA ILE E 122 53.935 58.422 7.163 1.00 12.18 C ATOM 880 C ILE E 122 54.094 56.951 7.490 1.00 12.60 C ATOM 881 O ILE E 122 55.106 56.323 7.119 1.00 14.05 O ATOM 882 CB ILE E 122 53.621 58.568 5.641 1.00 13.52 C ATOM 883 CG1 ILE E 122 53.100 59.990 5.340 1.00 12.68 C ATOM 884 CG2 ILE E 122 52.619 57.465 5.145 1.00 13.55 C ATOM 885 CD1 ILE E 122 53.066 60.229 3.793 1.00 13.90 C ATOM 886 N ASN E 123 53.094 56.403 8.176 1.00 13.04 N ATOM 887 CA ASN E 123 53.023 54.952 8.341 1.00 12.12 C ATOM 888 C ASN E 123 51.824 54.480 7.561 1.00 13.02 C ATOM 889 O ASN E 123 50.713 55.030 7.755 1.00 12.73 O ATOM 890 CB ASN E 123 52.799 54.604 9.803 1.00 11.66 C ATOM 891 CG ASN E 123 52.794 53.080 10.029 1.00 12.51 C ATOM 892 OD1 ASN E 123 53.836 52.468 10.163 1.00 14.85 O ATOM 893 ND2 ASN E 123 51.606 52.480 10.036 1.00 12.99 N ATOM 894 N MET E 124 52.030 53.437 6.749 1.00 13.04 N ATOM 895 CA MET E 124 50.929 52.781 6.026 1.00 12.74 C ATOM 896 C MET E 124 50.924 51.260 6.314 1.00 12.51 C ATOM 897 O MET E 124 51.597 50.466 5.641 1.00 13.24 O ATOM 898 CB MET E 124 51.095 53.032 4.519 1.00 13.47 C ATOM 899 CG MET E 124 50.550 54.446 4.160 1.00 15.87 C ATOM 900 SD MET E 124 50.707 54.786 2.364 1.00 18.09 S ATOM 901 CE MET E 124 52.357 54.886 2.141 1.00 16.09 C ATOM 902 N SER E 125 50.152 50.876 7.306 1.00 12.42 N ATOM 903 CA SER E 125 50.001 49.474 7.671 1.00 12.73 C ATOM 904 C SER E 125 48.882 48.887 6.768 1.00 14.19 C ATOM 905 O SER E 125 47.816 48.476 7.244 1.00 13.31 O ATOM 906 CB SER E 125 49.603 49.398 9.151 1.00 11.60 C ATOM 907 OG SER E 125 50.789 49.613 9.952 1.00 13.14 O ATOM 908 N LEU E 126 49.148 48.898 5.471 1.00 14.53 N ATOM 909 CA LEU E 126 48.105 48.602 4.503 1.00 15.58 C ATOM 910 C LEU E 126 48.764 48.128 3.210 1.00 16.38 C ATOM 911 O LEU E 126 49.982 48.298 2.992 1.00 16.69 O ATOM 912 CB LEU E 126 47.171 49.821 4.318 1.00 16.12 C ATOM 913 CG LEU E 126 47.729 51.220 4.080 1.00 17.26 C ATOM 914 CD1 LEU E 126 48.411 51.221 2.724 1.00 21.45 C ATOM 915 CD2 LEU E 126 46.652 52.311 4.137 1.00 18.38 C ATOM 916 N GLY E 127 47.981 47.529 2.313 1.00 17.00 N ATOM 917 CA GLY E 127 48.626 47.043 1.123 1.00 17.88 C ATOM 918 C GLY E 127 47.645 46.391 0.160 1.00 18.76 C ATOM 919 O GLY E 127 46.483 46.136 0.505 1.00 17.28 O ATOM 920 N GLY E 128 48.130 46.164 -1.050 1.00 20.21 N ATOM 921 CA GLY E 128 47.369 45.372 -2.015 1.00 20.76 C ATOM 922 C GLY E 128 48.359 44.737 -2.968 1.00 23.09 C ATOM 923 O GLY E 128 49.543 45.087 -3.001 1.00 21.25 O ATOM 924 N PRO E 129 47.898 43.764 -3.750 1.00 24.55 N ATOM 925 CA PRO E 129 48.827 43.006 -4.602 1.00 25.13 C ATOM 926 C PRO E 129 49.249 43.722 -5.871 1.00 26.10 C ATOM 927 O PRO E 129 50.242 43.288 -6.462 1.00 26.89 O ATOM 928 CB PRO E 129 48.045 41.717 -4.936 1.00 26.20 C ATOM 929 CG PRO E 129 46.622 42.070 -4.714 1.00 25.83 C ATOM 930 CD PRO E 129 46.525 43.240 -3.776 1.00 25.90 C ATOM 931 N SER E 130 48.557 44.778 -6.278 1.00 26.16 N ATOM 932 CA SER E 130 48.933 45.456 -7.510 1.00 29.05 C ATOM 933 C SER E 130 49.293 46.913 -7.233 1.00 29.27 C ATOM 934 O SER E 130 48.757 47.529 -6.316 1.00 30.56 O ATOM 935 CB SER E 130 47.814 45.380 -8.573 1.00 28.73 C ATOM 936 OG ASER E 130 46.602 45.886 -8.083 0.50 29.64 O ATOM 937 OG BSER E 130 47.107 44.154 -8.476 0.50 27.77 O ATOM 938 N GLY E 131 50.183 47.469 -8.024 1.00 29.93 N ATOM 939 CA GLY E 131 50.429 48.890 -7.855 1.00 30.00 C ATOM 940 C GLY E 131 49.579 49.717 -8.793 1.00 30.29 C ATOM 941 O GLY E 131 48.685 49.198 -9.477 1.00 30.99 O ATOM 942 N SER E 132 49.805 51.017 -8.784 1.00 27.67 N ATOM 943 CA SER E 132 49.327 51.866 -9.858 1.00 26.65 C ATOM 944 C SER E 132 50.339 52.990 -10.032 1.00 26.83 C ATOM 945 O SER E 132 51.083 53.342 -9.083 1.00 25.60 O ATOM 946 CB SER E 132 47.920 52.391 -9.574 1.00 26.33 C ATOM 947 OG SER E 132 47.898 53.504 -8.685 1.00 25.63 O ATOM 948 N ALA E 133 50.374 53.548 -11.237 1.00 25.88 N ATOM 949 CA ALA E 133 51.234 54.683 -11.484 1.00 25.75 C ATOM 950 C ALA E 133 50.929 55.833 -10.517 1.00 23.93 C ATOM 951 O ALA E 133 51.866 56.449 -10.026 1.00 24.30 O ATOM 952 CB ALA E 133 51.131 55.140 -12.973 1.00 26.28 C ATOM 953 N ALA E 134 49.650 56.110 -10.250 1.00 22.83 N ATOM 954 CA ALA E 134 49.261 57.222 -9.390 1.00 22.27 C ATOM 955 C ALA E 134 49.719 56.942 -7.940 1.00 21.86 C ATOM 956 O ALA E 134 50.108 57.864 -7.236 1.00 21.56 O ATOM 957 CB ALA E 134 47.717 57.482 -9.441 1.00 22.81 C ATOM 958 N LEU E 135 49.668 55.681 -7.515 1.00 21.08 N ATOM 959 CA LEU E 135 50.108 55.336 -6.144 1.00 20.67 C ATOM 960 C LEU E 135 51.619 55.506 -6.017 1.00 20.90 C ATOM 961 O LEU E 135 52.110 56.105 -5.057 1.00 19.03 O ATOM 962 CB LEU E 135 49.714 53.907 -5.763 1.00 19.62 C ATOM 963 CG LEU E 135 50.117 53.490 -4.321 1.00 19.37 C ATOM 964 CD1 LEU E 135 49.446 54.334 -3.236 1.00 15.67 C ATOM 965 CD2 LEU E 135 49.846 51.956 -4.075 1.00 19.33 C ATOM 966 N LYS E 136 52.360 54.967 -6.988 1.00 20.71 N ATOM 967 CA LYS E 136 53.800 55.156 -6.987 1.00 20.12 C ATOM 968 C LYS E 136 54.143 56.656 -7.006 1.00 20.81 C ATOM 969 O LYS E 136 55.064 57.111 -6.313 1.00 19.27 O ATOM 970 CB LYS E 136 54.456 54.432 -8.179 1.00 20.17 C ATOM 971 CG LYS E 136 55.987 54.447 -8.107 1.00 21.21 C ATOM 972 CD LYS E 136 56.644 53.715 -9.280 1.00 23.40 C ATOM 973 CE LYS E 136 58.109 53.498 -9.013 1.00 27.42 C ATOM 974 NZ LYS E 136 58.854 54.794 -9.089 1.00 27.38 N ATOM 975 N ALA E 137 53.408 57.425 -7.815 1.00 20.53 N ATOM 976 CA ALA E 137 53.717 58.851 -7.937 1.00 21.28 C ATOM 977 C ALA E 137 53.516 59.570 -6.591 1.00 20.79 C ATOM 978 O ALA E 137 54.293 60.469 -6.235 1.00 20.56 O ATOM 979 CB ALA E 137 52.858 59.483 -9.049 1.00 20.77 C ATOM 980 N ALA E 138 52.475 59.163 -5.847 1.00 19.16 N ATOM 981 CA ALA E 138 52.162 59.796 -4.559 1.00 18.41 C ATOM 982 C ALA E 138 53.253 59.510 -3.531 1.00 17.74 C ATOM 983 O ALA E 138 53.701 60.455 -2.862 1.00 16.66 O ATOM 984 CB ALA E 138 50.821 59.352 -4.018 1.00 18.53 C ATOM 985 N VAL E 139 53.645 58.232 -3.386 1.00 16.80 N ATOM 986 CA VAL E 139 54.728 57.913 -2.427 1.00 17.98 C ATOM 987 C VAL E 139 56.068 58.536 -2.850 1.00 18.15 C ATOM 988 O VAL E 139 56.818 59.069 -2.020 1.00 17.81 O ATOM 989 CB VAL E 139 54.892 56.398 -2.080 1.00 17.15 C ATOM 990 CG1 VAL E 139 53.611 55.829 -1.428 1.00 17.31 C ATOM 991 CG2 VAL E 139 55.300 55.536 -3.280 1.00 19.15 C ATOM 992 N ASP E 140 56.373 58.499 -4.151 1.00 18.04 N ATOM 993 CA ASP E 140 57.600 59.127 -4.625 1.00 19.22 C ATOM 994 C ASP E 140 57.591 60.625 -4.330 1.00 18.59 C ATOM 995 O ASP E 140 58.630 61.198 -3.961 1.00 19.04 O ATOM 996 CB ASP E 140 57.770 58.920 -6.153 1.00 19.80 C ATOM 997 CG ASP E 140 58.092 57.478 -6.520 1.00 23.03 C ATOM 998 OD1 ASP E 140 58.304 56.626 -5.598 1.00 22.86 O ATOM 999 OD2 ASP E 140 58.186 57.092 -7.727 1.00 22.21 O ATOM 1000 N LYS E 141 56.440 61.264 -4.494 1.00 18.33 N ATOM 1001 CA LYS E 141 56.361 62.711 -4.259 1.00 19.17 C ATOM 1002 C LYS E 141 56.575 63.002 -2.769 1.00 18.36 C ATOM 1003 O LYS E 141 57.237 63.995 -2.379 1.00 18.58 O ATOM 1004 CB LYS E 141 54.996 63.264 -4.739 1.00 18.87 C ATOM 1005 CG LYS E 141 54.728 64.737 -4.389 1.00 21.74 C ATOM 1006 CD LYS E 141 53.297 65.169 -4.812 1.00 24.97 C ATOM 1007 CE LYS E 141 52.971 66.641 -4.506 1.00 27.88 C ATOM 1008 NZ LYS E 141 51.551 66.895 -4.988 1.00 28.75 N ATOM 1009 N ALA E 142 55.992 62.143 -1.916 1.00 17.58 N ATOM 1010 CA ALA E 142 56.156 62.332 -0.453 1.00 16.63 C ATOM 1011 C ALA E 142 57.616 62.229 -0.072 1.00 15.32 C ATOM 1012 O ALA E 142 58.126 63.080 0.675 1.00 15.39 O ATOM 1013 CB ALA E 142 55.331 61.230 0.327 1.00 16.06 C ATOM 1014 N VAL E 143 58.301 61.225 -0.610 1.00 14.55 N ATOM 1015 CA VAL E 143 59.743 61.048 -0.337 1.00 14.96 C ATOM 1016 C VAL E 143 60.557 62.209 -0.916 1.00 16.05 C ATOM 1017 O VAL E 143 61.466 62.738 -0.254 1.00 15.12 O ATOM 1018 CB VAL E 143 60.236 59.675 -0.833 1.00 16.06 C ATOM 1019 CG1 VAL E 143 61.750 59.534 -0.752 1.00 16.54 C ATOM 1020 CG2 VAL E 143 59.536 58.535 0.021 1.00 15.68 C ATOM 1021 N ALA E 144 60.219 62.633 -2.138 1.00 16.42 N ATOM 1022 CA ALA E 144 60.935 63.782 -2.737 1.00 17.78 C ATOM 1023 C ALA E 144 60.748 65.038 -1.885 1.00 18.58 C ATOM 1024 O ALA E 144 61.638 65.929 -1.854 1.00 20.72 O ATOM 1025 CB ALA E 144 60.443 64.048 -4.180 1.00 18.46 C ATOM 1026 N SER E 145 59.628 65.104 -1.185 1.00 17.33 N ATOM 1027 CA SER E 145 59.301 66.248 -0.342 1.00 19.09 C ATOM 1028 C SER E 145 59.909 66.180 1.066 1.00 17.97 C ATOM 1029 O SER E 145 59.671 67.095 1.857 1.00 18.83 O ATOM 1030 CB SER E 145 57.798 66.453 -0.207 1.00 19.71 C ATOM 1031 OG SER E 145 57.206 66.601 -1.484 1.00 24.80 O ATOM 1032 N GLY E 146 60.632 65.097 1.382 1.00 16.31 N ATOM 1033 CA GLY E 146 61.315 65.011 2.654 1.00 14.78 C ATOM 1034 C GLY E 146 60.631 64.105 3.695 1.00 15.37 C ATOM 1035 O GLY E 146 61.115 64.038 4.820 1.00 14.12 O ATOM 1036 N VAL E 147 59.554 63.418 3.317 1.00 14.69 N ATOM 1037 CA VAL E 147 58.799 62.595 4.308 1.00 14.35 C ATOM 1038 C VAL E 147 59.418 61.195 4.380 1.00 13.68 C ATOM 1039 O VAL E 147 59.769 60.624 3.349 1.00 14.13 O ATOM 1040 CB VAL E 147 57.316 62.416 3.874 1.00 14.86 C ATOM 1041 CG1 VAL E 147 56.509 61.609 4.979 1.00 14.32 C ATOM 1042 CG2 VAL E 147 56.637 63.776 3.606 1.00 14.52 C ATOM 1043 N VAL E 148 59.535 60.627 5.581 1.00 12.83 N ATOM 1044 CA VAL E 148 59.967 59.220 5.709 1.00 12.82 C ATOM 1045 C VAL E 148 58.707 58.376 5.532 1.00 12.62 C ATOM 1046 O VAL E 148 57.763 58.546 6.301 1.00 13.77 O ATOM 1047 CB VAL E 148 60.523 58.952 7.154 1.00 13.05 C ATOM 1048 CG1 VAL E 148 60.844 57.474 7.345 1.00 14.58 C ATOM 1049 CG2 VAL E 148 61.828 59.788 7.408 1.00 12.32 C ATOM 1050 N VAL E 149 58.703 57.458 4.559 1.00 12.31 N ATOM 1051 CA VAL E 149 57.496 56.682 4.312 1.00 12.55 C ATOM 1052 C VAL E 149 57.744 55.214 4.644 1.00 12.08 C ATOM 1053 O VAL E 149 58.659 54.595 4.103 1.00 12.46 O ATOM 1054 CB VAL E 149 57.047 56.852 2.825 1.00 13.06 C ATOM 1055 CG1 VAL E 149 55.716 56.071 2.581 1.00 12.52 C ATOM 1056 CG2 VAL E 149 56.824 58.326 2.517 1.00 14.28 C ATOM 1057 N VAL E 150 56.913 54.659 5.521 1.00 13.17 N ATOM 1058 CA VAL E 150 57.123 53.304 6.023 1.00 12.55 C ATOM 1059 C VAL E 150 55.808 52.548 5.758 1.00 13.01 C ATOM 1060 O VAL E 150 54.711 53.087 5.984 1.00 14.35 O ATOM 1061 CB VAL E 150 57.340 53.307 7.576 1.00 13.79 C ATOM 1062 CG1 VAL E 150 57.629 51.848 8.140 1.00 13.17 C ATOM 1063 CG2 VAL E 150 58.458 54.341 8.006 1.00 11.70 C ATOM 1064 N ALA E 151 55.925 51.308 5.320 1.00 12.57 N ATOM 1065 CA ALA E 151 54.739 50.471 5.099 1.00 12.44 C ATOM 1066 C ALA E 151 54.955 49.020 5.526 1.00 12.47 C ATOM 1067 O ALA E 151 56.067 48.506 5.524 1.00 13.49 O ATOM 1068 CB ALA E 151 54.345 50.485 3.589 1.00 12.38 C ATOM 1069 N ALA E 152 53.864 48.341 5.845 1.00 12.07 N ATOM 1070 CA ALA E 152 53.894 46.878 6.052 1.00 13.34 C ATOM 1071 C ALA E 152 54.319 46.167 4.751 1.00 13.43 C ATOM 1072 O ALA E 152 53.835 46.542 3.653 1.00 15.56 O ATOM 1073 CB ALA E 152 52.454 46.421 6.438 1.00 12.87 C ATOM 1074 N ALA E 153 55.114 45.105 4.884 1.00 13.38 N ATOM 1075 CA ALA E 153 55.609 44.359 3.704 1.00 15.05 C ATOM 1076 C ALA E 153 54.485 43.509 3.115 1.00 15.74 C ATOM 1077 O ALA E 153 54.500 43.240 1.910 1.00 15.82 O ATOM 1078 CB ALA E 153 56.826 43.424 4.098 1.00 14.07 C ATOM 1079 N GLY E 154 53.500 43.129 3.948 1.00 15.01 N ATOM 1080 CA GLY E 154 52.414 42.244 3.500 1.00 15.49 C ATOM 1081 C GLY E 154 52.442 40.927 4.308 1.00 15.12 C ATOM 1082 O GLY E 154 53.470 40.590 4.934 1.00 14.64 O ATOM 1083 N ASN E 155 51.311 40.193 4.321 1.00 14.81 N ATOM 1084 CA ASN E 155 51.206 38.962 5.113 1.00 15.13 C ATOM 1085 C ASN E 155 51.011 37.735 4.193 1.00 17.16 C ATOM 1086 O ASN E 155 50.252 36.801 4.544 1.00 17.51 O ATOM 1087 CB ASN E 155 50.005 39.001 6.086 1.00 15.65 C ATOM 1088 CG ASN E 155 50.114 40.126 7.100 1.00 19.03 C ATOM 1089 OD1 ASN E 155 51.241 40.589 7.418 1.00 16.53 O ATOM 1090 ND2 ASN E 155 48.971 40.542 7.644 1.00 15.90 N ATOM 1091 N GLU E 156 51.751 37.713 3.091 1.00 18.14 N ATOM 1092 CA GLU E 156 51.541 36.665 2.062 1.00 18.95 C ATOM 1093 C GLU E 156 52.452 35.450 2.281 1.00 21.14 C ATOM 1094 O GLU E 156 52.358 34.454 1.528 1.00 22.14 O ATOM 1095 CB GLU E 156 51.781 37.244 0.676 1.00 19.62 C ATOM 1096 CG GLU E 156 50.817 38.332 0.222 1.00 20.84 C ATOM 1097 CD GLU E 156 49.363 37.907 0.333 1.00 27.96 C ATOM 1098 OE1 GLU E 156 49.046 36.728 0.076 1.00 29.43 O ATOM 1099 OE2 GLU E 156 48.521 38.735 0.709 1.00 29.23 O ATOM 1100 N GLY E 157 53.339 35.509 3.273 1.00 18.68 N ATOM 1101 CA GLY E 157 54.243 34.410 3.548 1.00 20.76 C ATOM 1102 C GLY E 157 55.135 34.117 2.357 1.00 21.90 C ATOM 1103 O GLY E 157 55.487 35.037 1.614 1.00 21.84 O ATOM 1104 N THR E 158 55.488 32.847 2.148 1.00 24.57 N ATOM 1105 CA THR E 158 56.436 32.493 1.055 1.00 27.11 C ATOM 1106 C THR E 158 55.708 31.930 -0.167 1.00 28.89 C ATOM 1107 O THR E 158 54.592 31.401 -0.052 1.00 28.70 O ATOM 1108 CB THR E 158 57.508 31.452 1.499 1.00 27.74 C ATOM 1109 OG1 THR E 158 56.847 30.232 1.868 1.00 30.26 O ATOM 1110 CG2 THR E 158 58.286 31.880 2.783 1.00 26.03 C ATOM 1111 N SER E 159 56.340 32.037 -1.337 1.00 29.93 N ATOM 1112 CA SER E 159 55.785 31.422 -2.543 1.00 32.43 C ATOM 1113 C SER E 159 56.968 31.027 -3.426 1.00 32.83 C ATOM 1114 O SER E 159 57.243 31.683 -4.439 1.00 33.16 O ATOM 1115 CB SER E 159 54.849 32.389 -3.250 1.00 32.65 C ATOM 1116 OG SER E 159 54.319 31.782 -4.403 1.00 35.58 O ATOM 1117 N GLY E 160 57.715 30.017 -2.973 1.00 33.18 N ATOM 1118 CA GLY E 160 58.882 29.554 -3.695 1.00 34.72 C ATOM 1119 C GLY E 160 59.947 30.623 -3.744 1.00 34.92 C ATOM 1120 O GLY E 160 60.344 31.161 -2.702 1.00 35.81 O ATOM 1121 N SER E 161 60.397 30.953 -4.948 1.00 34.47 N ATOM 1122 CA SER E 161 61.442 31.949 -5.137 1.00 33.49 C ATOM 1123 C SER E 161 60.840 33.320 -5.481 1.00 31.71 C ATOM 1124 O SER E 161 61.577 34.264 -5.775 1.00 31.89 O ATOM 1125 CB SER E 161 62.421 31.473 -6.247 1.00 34.85 C ATOM 1126 OG ASER E 161 61.776 31.448 -7.509 0.67 35.40 O ATOM 1127 OG BSER E 161 63.777 31.649 -5.868 0.33 34.45 O ATOM 1128 N SER E 162 59.515 33.442 -5.427 1.00 30.01 N ATOM 1129 CA SER E 162 58.842 34.671 -5.856 1.00 29.21 C ATOM 1130 C SER E 162 58.777 35.700 -4.715 1.00 27.28 C ATOM 1131 O SER E 162 58.591 35.312 -3.576 1.00 25.61 O ATOM 1132 CB SER E 162 57.395 34.403 -6.255 1.00 30.33 C ATOM 1133 OG SER E 162 57.330 33.602 -7.424 1.00 35.44 O ATOM 1134 N SER E 163 58.878 36.980 -5.055 1.00 24.98 N ATOM 1135 CA SER E 163 58.567 38.039 -4.082 1.00 23.61 C ATOM 1136 C SER E 163 57.076 38.061 -3.751 1.00 23.19 C ATOM 1137 O SER E 163 56.239 37.902 -4.627 1.00 22.23 O ATOM 1138 CB SER E 163 59.019 39.374 -4.624 1.00 24.28 C ATOM 1139 OG SER E 163 58.528 40.447 -3.811 1.00 23.07 O ATOM 1140 N THR E 164 56.728 38.237 -2.478 1.00 21.02 N ATOM 1141 CA THR E 164 55.341 38.374 -2.081 1.00 19.65 C ATOM 1142 C THR E 164 55.094 39.689 -1.340 1.00 19.47 C ATOM 1143 O THR E 164 54.028 39.868 -0.761 1.00 18.67 O ATOM 1144 CB THR E 164 54.890 37.216 -1.192 1.00 19.60 C ATOM 1145 OG1 THR E 164 55.614 37.228 0.049 1.00 19.03 O ATOM 1146 CG2 THR E 164 55.243 35.843 -1.848 1.00 20.95 C ATOM 1147 N VAL E 165 56.041 40.632 -1.420 1.00 18.84 N ATOM 1148 CA VAL E 165 55.827 41.964 -0.832 1.00 18.17 C ATOM 1149 C VAL E 165 54.749 42.695 -1.621 1.00 18.89 C ATOM 1150 O VAL E 165 54.809 42.746 -2.864 1.00 20.53 O ATOM 1151 CB VAL E 165 57.158 42.772 -0.888 1.00 18.56 C ATOM 1152 CG1 VAL E 165 56.967 44.236 -0.400 1.00 15.55 C ATOM 1153 CG2 VAL E 165 58.258 42.045 -0.130 1.00 18.41 C ATOM 1154 N GLY E 166 53.784 43.321 -0.940 1.00 17.96 N ATOM 1155 CA GLY E 166 52.748 44.050 -1.632 1.00 18.02 C ATOM 1156 C GLY E 166 53.054 45.553 -1.758 1.00 17.64 C ATOM 1157 O GLY E 166 54.072 46.043 -1.284 1.00 18.63 O ATOM 1158 N TYR E 167 52.125 46.269 -2.360 1.00 17.03 N ATOM 1159 CA TYR E 167 52.259 47.713 -2.575 1.00 17.71 C ATOM 1160 C TYR E 167 51.453 48.449 -1.505 1.00 16.63 C ATOM 1161 O TYR E 167 50.355 48.002 -1.111 1.00 16.45 O ATOM 1162 CB TYR E 167 51.654 48.051 -3.934 1.00 17.92 C ATOM 1163 CG TYR E 167 52.413 47.437 -5.080 1.00 19.94 C ATOM 1164 CD1 TYR E 167 53.431 48.145 -5.719 1.00 20.92 C ATOM 1165 CD2 TYR E 167 52.099 46.153 -5.531 1.00 25.09 C ATOM 1166 CE1 TYR E 167 54.155 47.555 -6.791 1.00 24.69 C ATOM 1167 CE2 TYR E 167 52.784 45.570 -6.597 1.00 25.24 C ATOM 1168 CZ TYR E 167 53.806 46.272 -7.220 1.00 27.59 C ATOM 1169 OH TYR E 167 54.488 45.654 -8.263 1.00 31.91 O ATOM 1170 N PRO E 168 51.900 49.616 -1.043 1.00 16.74 N ATOM 1171 CA PRO E 168 53.054 50.371 -1.566 1.00 16.50 C ATOM 1172 C PRO E 168 54.427 49.972 -1.011 1.00 16.36 C ATOM 1173 O PRO E 168 55.451 50.546 -1.462 1.00 15.81 O ATOM 1174 CB PRO E 168 52.703 51.813 -1.163 1.00 16.44 C ATOM 1175 CG PRO E 168 51.956 51.625 0.179 1.00 16.16 C ATOM 1176 CD PRO E 168 51.133 50.346 -0.013 1.00 16.06 C ATOM 1177 N GLY E 169 54.491 48.998 -0.092 1.00 16.20 N ATOM 1178 CA GLY E 169 55.776 48.543 0.435 1.00 15.63 C ATOM 1179 C GLY E 169 56.770 48.196 -0.673 1.00 17.59 C ATOM 1180 O GLY E 169 57.982 48.450 -0.536 1.00 16.08 O ATOM 1181 N LYS E 170 56.273 47.628 -1.783 1.00 16.69 N ATOM 1182 CA LYS E 170 57.192 47.091 -2.822 1.00 17.30 C ATOM 1183 C LYS E 170 57.909 48.213 -3.611 1.00 18.23 C ATOM 1184 O LYS E 170 58.914 47.943 -4.278 1.00 18.24 O ATOM 1185 CB LYS E 170 56.392 46.195 -3.800 1.00 18.61 C ATOM 1186 CG LYS E 170 57.250 45.192 -4.578 1.00 21.32 C ATOM 1187 CD LYS E 170 56.344 44.379 -5.533 1.00 24.32 C ATOM 1188 CE LYS E 170 57.205 43.439 -6.409 1.00 30.10 C ATOM 1189 NZ LYS E 170 56.341 42.372 -6.998 1.00 33.94 N ATOM 1190 N TYR E 171 57.399 49.451 -3.570 1.00 17.96 N ATOM 1191 CA TYR E 171 58.084 50.571 -4.259 1.00 17.59 C ATOM 1192 C TYR E 171 59.410 50.932 -3.566 1.00 19.01 C ATOM 1193 O TYR E 171 59.477 50.980 -2.319 1.00 18.91 O ATOM 1194 CB TYR E 171 57.173 51.816 -4.246 1.00 18.45 C ATOM 1195 CG TYR E 171 55.917 51.678 -5.067 1.00 18.05 C ATOM 1196 CD1 TYR E 171 55.988 51.252 -6.407 1.00 21.46 C ATOM 1197 CD2 TYR E 171 54.661 51.928 -4.509 1.00 20.19 C ATOM 1198 CE1 TYR E 171 54.852 51.098 -7.169 1.00 22.00 C ATOM 1199 CE2 TYR E 171 53.500 51.812 -5.273 1.00 21.37 C ATOM 1200 CZ TYR E 171 53.623 51.407 -6.616 1.00 24.32 C ATOM 1201 OH TYR E 171 52.513 51.284 -7.387 1.00 25.35 O ATOM 1202 N PRO E 172 60.485 51.132 -4.331 1.00 18.43 N ATOM 1203 CA PRO E 172 61.806 51.475 -3.752 1.00 18.24 C ATOM 1204 C PRO E 172 61.795 52.676 -2.793 1.00 17.25 C ATOM 1205 O PRO E 172 62.588 52.699 -1.827 1.00 17.49 O ATOM 1206 CB PRO E 172 62.639 51.797 -5.012 1.00 18.75 C ATOM 1207 CG PRO E 172 62.061 50.798 -6.025 1.00 20.10 C ATOM 1208 CD PRO E 172 60.550 51.004 -5.810 1.00 19.21 C ATOM 1209 N SER E 173 60.919 53.644 -3.037 1.00 16.74 N ATOM 1210 CA SER E 173 60.932 54.851 -2.187 1.00 16.60 C ATOM 1211 C SER E 173 60.351 54.603 -0.771 1.00 15.85 C ATOM 1212 O SER E 173 60.530 55.453 0.107 1.00 15.38 O ATOM 1213 CB SER E 173 60.186 56.011 -2.864 1.00 16.77 C ATOM 1214 OG SER E 173 58.818 55.693 -2.986 1.00 17.45 O ATOM 1215 N VAL E 174 59.665 53.474 -0.582 1.00 14.69 N ATOM 1216 CA VAL E 174 58.960 53.136 0.683 1.00 14.21 C ATOM 1217 C VAL E 174 59.774 52.063 1.450 1.00 15.35 C ATOM 1218 O VAL E 174 60.313 51.120 0.834 1.00 15.16 O ATOM 1219 CB VAL E 174 57.503 52.584 0.367 1.00 14.95 C ATOM 1220 CG1 VAL E 174 56.769 52.112 1.622 1.00 12.65 C ATOM 1221 CG2 VAL E 174 56.667 53.661 -0.363 1.00 12.71 C ATOM 1222 N ILE E 175 59.902 52.220 2.767 1.00 12.95 N ATOM 1223 CA ILE E 175 60.596 51.213 3.593 1.00 12.85 C ATOM 1224 C ILE E 175 59.565 50.105 3.863 1.00 13.41 C ATOM 1225 O ILE E 175 58.569 50.354 4.566 1.00 13.67 O ATOM 1226 CB ILE E 175 61.039 51.870 4.937 1.00 13.03 C ATOM 1227 CG1 ILE E 175 62.107 52.973 4.672 1.00 13.71 C ATOM 1228 CG2 ILE E 175 61.596 50.785 5.931 1.00 13.24 C ATOM 1229 CD1 ILE E 175 62.198 53.963 5.849 1.00 12.59 C ATOM 1230 N ALA E 176 59.815 48.910 3.291 1.00 13.38 N ATOM 1231 CA ALA E 176 58.940 47.749 3.539 1.00 14.00 C ATOM 1232 C ALA E 176 59.376 46.950 4.756 1.00 13.08 C ATOM 1233 O ALA E 176 60.540 46.556 4.866 1.00 13.41 O ATOM 1234 CB ALA E 176 58.888 46.814 2.281 1.00 13.49 C ATOM 1235 N VAL E 177 58.436 46.771 5.708 1.00 13.06 N ATOM 1236 CA VAL E 177 58.751 46.160 6.993 1.00 12.75 C ATOM 1237 C VAL E 177 58.088 44.811 7.184 1.00 12.43 C ATOM 1238 O VAL E 177 56.851 44.723 7.123 1.00 13.00 O ATOM 1239 CB VAL E 177 58.267 47.114 8.181 1.00 12.26 C ATOM 1240 CG1 VAL E 177 58.690 46.551 9.540 1.00 13.34 C ATOM 1241 CG2 VAL E 177 58.882 48.566 7.915 1.00 12.17 C ATOM 1242 N GLY E 178 58.911 43.801 7.460 1.00 13.66 N ATOM 1243 CA GLY E 178 58.409 42.464 7.795 1.00 14.12 C ATOM 1244 C GLY E 178 58.305 42.255 9.292 1.00 15.27 C ATOM 1245 O GLY E 178 58.768 43.072 10.113 1.00 13.57 O ATOM 1246 N ALA E 179 57.763 41.102 9.681 1.00 14.21 N ATOM 1247 CA ALA E 179 57.454 40.842 11.090 1.00 13.22 C ATOM 1248 C ALA E 179 58.257 39.701 11.664 1.00 13.95 C ATOM 1249 O ALA E 179 58.323 38.602 11.056 1.00 14.72 O ATOM 1250 CB ALA E 179 55.966 40.489 11.250 1.00 12.99 C ATOM 1251 N VAL E 180 58.860 39.956 12.813 1.00 13.11 N ATOM 1252 CA VAL E 180 59.430 38.904 13.669 1.00 13.16 C ATOM 1253 C VAL E 180 58.705 38.758 14.992 1.00 14.15 C ATOM 1254 O VAL E 180 57.924 39.634 15.434 1.00 13.42 O ATOM 1255 CB VAL E 180 60.965 39.055 13.933 1.00 13.27 C ATOM 1256 CG1 VAL E 180 61.758 38.943 12.612 1.00 13.66 C ATOM 1257 CG2 VAL E 180 61.272 40.439 14.659 1.00 12.46 C ATOM 1258 N ASP E 181 58.977 37.637 15.681 1.00 14.29 N ATOM 1259 CA ASP E 181 58.442 37.464 17.027 1.00 15.86 C ATOM 1260 C ASP E 181 59.507 37.844 18.085 1.00 15.89 C ATOM 1261 O ASP E 181 60.566 38.387 17.734 1.00 15.42 O ATOM 1262 CB ASP E 181 57.894 36.011 17.192 1.00 16.46 C ATOM 1263 CG ASP E 181 58.960 34.967 17.107 1.00 21.02 C ATOM 1264 OD1 ASP E 181 60.164 35.268 17.293 1.00 17.58 O ATOM 1265 OD2 ASP E 181 58.654 33.752 16.882 1.00 22.54 O ATOM 1266 N SER E 182 59.246 37.580 19.369 1.00 17.47 N ATOM 1267 CA SER E 182 60.184 37.964 20.447 1.00 19.60 C ATOM 1268 C SER E 182 61.504 37.215 20.456 1.00 20.82 C ATOM 1269 O SER E 182 62.442 37.614 21.168 1.00 21.83 O ATOM 1270 CB SER E 182 59.514 37.810 21.843 1.00 22.13 C ATOM 1271 OG SER E 182 59.230 36.421 22.106 1.00 21.47 O ATOM 1272 N SER E 183 61.591 36.122 19.695 1.00 20.36 N ATOM 1273 CA SER E 183 62.859 35.399 19.520 1.00 19.83 C ATOM 1274 C SER E 183 63.595 35.791 18.260 1.00 19.00 C ATOM 1275 O SER E 183 64.620 35.161 17.898 1.00 19.07 O ATOM 1276 CB SER E 183 62.623 33.872 19.500 1.00 21.47 C ATOM 1277 OG ASER E 183 61.843 33.465 20.624 0.67 22.73 O ATOM 1278 OG BSER E 183 61.812 33.532 18.401 0.33 20.02 O ATOM 1279 N ASN E 184 63.108 36.846 17.579 1.00 18.41 N ATOM 1280 CA ASN E 184 63.669 37.289 16.290 1.00 17.85 C ATOM 1281 C ASN E 184 63.453 36.330 15.114 1.00 18.23 C ATOM 1282 O ASN E 184 64.135 36.420 14.094 1.00 18.74 O ATOM 1283 CB ASN E 184 65.156 37.622 16.416 1.00 18.27 C ATOM 1284 CG ASN E 184 65.382 38.968 17.099 1.00 21.33 C ATOM 1285 OD1 ASN E 184 64.480 39.791 17.132 1.00 23.07 O ATOM 1286 ND2 ASN E 184 66.566 39.182 17.633 1.00 20.95 N ATOM 1287 N GLN E 185 62.504 35.413 15.264 1.00 19.02 N ATOM 1288 CA GLN E 185 62.141 34.499 14.172 1.00 19.71 C ATOM 1289 C GLN E 185 61.097 35.153 13.304 1.00 18.20 C ATOM 1290 O GLN E 185 60.148 35.735 13.821 1.00 17.49 O ATOM 1291 CB GLN E 185 61.546 33.199 14.750 1.00 21.07 C ATOM 1292 CG GLN E 185 62.590 32.269 15.305 1.00 31.92 C ATOM 1293 CD GLN E 185 63.387 31.602 14.176 1.00 41.59 C ATOM 1294 OE1 GLN E 185 62.793 31.029 13.228 1.00 46.26 O ATOM 1295 NE2 GLN E 185 64.719 31.692 14.254 1.00 44.03 N ATOM 1296 N ARG E 186 61.273 35.055 11.986 1.00 16.82 N ATOM 1297 CA ARG E 186 60.314 35.565 11.047 1.00 19.01 C ATOM 1298 C ARG E 186 58.950 34.917 11.348 1.00 18.65 C ATOM 1299 O ARG E 186 58.884 33.707 11.552 1.00 19.23 O ATOM 1300 CB ARG E 186 60.796 35.161 9.663 1.00 20.04 C ATOM 1301 CG ARG E 186 59.955 35.515 8.567 1.00 23.36 C ATOM 1302 CD ARG E 186 60.445 34.867 7.247 1.00 24.24 C ATOM 1303 NE ARG E 186 59.240 34.877 6.478 1.00 22.93 N ATOM 1304 CZ ARG E 186 58.427 33.839 6.329 1.00 22.23 C ATOM 1305 NH1 ARG E 186 58.736 32.633 6.797 1.00 20.75 N ATOM 1306 NH2 ARG E 186 57.307 34.025 5.667 1.00 20.71 N ATOM 1307 N ALA E 187 57.887 35.709 11.389 1.00 17.39 N ATOM 1308 CA ALA E 187 56.513 35.179 11.485 1.00 17.70 C ATOM 1309 C ALA E 187 56.195 34.415 10.194 1.00 17.75 C ATOM 1310 O ALA E 187 56.501 34.875 9.108 1.00 16.61 O ATOM 1311 CB ALA E 187 55.490 36.348 11.624 1.00 17.46 C ATOM 1312 N SER E 188 55.518 33.266 10.299 1.00 19.78 N ATOM 1313 CA SER E 188 55.262 32.502 9.059 1.00 20.66 C ATOM 1314 C SER E 188 54.492 33.274 7.972 1.00 20.29 C ATOM 1315 O SER E 188 54.701 33.042 6.783 1.00 22.51 O ATOM 1316 CB SER E 188 54.509 31.200 9.407 1.00 21.61 C ATOM 1317 OG SER E 188 53.249 31.573 9.951 1.00 25.39 O ATOM 1318 N PHE E 189 53.626 34.218 8.348 1.00 19.62 N ATOM 1319 CA PHE E 189 52.850 34.991 7.376 1.00 17.94 C ATOM 1320 C PHE E 189 53.646 36.146 6.754 1.00 17.80 C ATOM 1321 O PHE E 189 53.195 36.756 5.804 1.00 17.63 O ATOM 1322 CB PHE E 189 51.551 35.571 8.026 1.00 18.71 C ATOM 1323 CG PHE E 189 51.817 36.459 9.248 1.00 18.98 C ATOM 1324 CD1 PHE E 189 52.306 37.758 9.086 1.00 19.54 C ATOM 1325 CD2 PHE E 189 51.616 35.976 10.554 1.00 20.21 C ATOM 1326 CE1 PHE E 189 52.648 38.562 10.229 1.00 16.72 C ATOM 1327 CE2 PHE E 189 51.900 36.787 11.711 1.00 20.38 C ATOM 1328 CZ PHE E 189 52.415 38.073 11.535 1.00 18.82 C ATOM 1329 N SER E 190 54.800 36.515 7.315 1.00 18.17 N ATOM 1330 CA SER E 190 55.523 37.723 6.838 1.00 17.46 C ATOM 1331 C SER E 190 55.930 37.588 5.363 1.00 17.61 C ATOM 1332 O SER E 190 56.584 36.597 4.996 1.00 18.28 O ATOM 1333 CB SER E 190 56.755 37.992 7.757 1.00 17.78 C ATOM 1334 OG SER E 190 57.381 39.236 7.432 1.00 17.53 O ATOM 1335 N SER E 191 55.557 38.558 4.534 1.00 16.52 N ATOM 1336 CA SER E 191 55.946 38.573 3.109 1.00 16.95 C ATOM 1337 C SER E 191 57.456 38.569 2.933 1.00 17.56 C ATOM 1338 O SER E 191 58.195 38.965 3.851 1.00 18.14 O ATOM 1339 CB SER E 191 55.350 39.761 2.355 1.00 17.00 C ATOM 1340 OG SER E 191 53.988 39.535 2.045 1.00 17.10 O ATOM 1341 N VAL E 192 57.906 38.088 1.765 1.00 18.30 N ATOM 1342 CA VAL E 192 59.327 37.861 1.486 1.00 18.10 C ATOM 1343 C VAL E 192 59.681 38.411 0.114 1.00 18.45 C ATOM 1344 O VAL E 192 58.801 38.666 -0.729 1.00 18.36 O ATOM 1345 CB VAL E 192 59.724 36.365 1.594 1.00 17.92 C ATOM 1346 CG1 VAL E 192 59.592 35.900 3.034 1.00 17.83 C ATOM 1347 CG2 VAL E 192 58.868 35.493 0.612 1.00 18.82 C ATOM 1348 N GLY E 193 60.969 38.631 -0.101 1.00 18.93 N ATOM 1349 CA GLY E 193 61.436 39.120 -1.396 1.00 19.77 C ATOM 1350 C GLY E 193 62.567 40.135 -1.298 1.00 21.27 C ATOM 1351 O GLY E 193 62.873 40.629 -0.215 1.00 20.82 O ATOM 1352 N PRO E 194 63.188 40.478 -2.427 1.00 21.64 N ATOM 1353 CA PRO E 194 64.282 41.448 -2.403 1.00 22.09 C ATOM 1354 C PRO E 194 63.811 42.849 -1.962 1.00 21.45 C ATOM 1355 O PRO E 194 64.642 43.638 -1.510 1.00 22.66 O ATOM 1356 CB PRO E 194 64.773 41.457 -3.861 1.00 22.88 C ATOM 1357 CG PRO E 194 63.681 40.926 -4.659 1.00 23.22 C ATOM 1358 CD PRO E 194 62.952 39.929 -3.787 1.00 22.40 C ATOM 1359 N GLU E 195 62.523 43.139 -2.046 1.00 19.87 N ATOM 1360 CA GLU E 195 62.017 44.439 -1.566 1.00 20.26 C ATOM 1361 C GLU E 195 61.832 44.545 -0.050 1.00 19.16 C ATOM 1362 O GLU E 195 61.562 45.646 0.483 1.00 20.26 O ATOM 1363 CB GLU E 195 60.723 44.812 -2.267 1.00 20.30 C ATOM 1364 CG GLU E 195 60.840 44.732 -3.800 1.00 22.40 C ATOM 1365 CD GLU E 195 60.550 43.330 -4.367 1.00 27.37 C ATOM 1366 OE1 GLU E 195 60.358 42.338 -3.598 1.00 25.23 O ATOM 1367 OE2 GLU E 195 60.521 43.218 -5.628 1.00 29.29 O ATOM 1368 N LEU E 196 61.951 43.428 0.655 1.00 17.80 N ATOM 1369 CA LEU E 196 61.819 43.466 2.104 1.00 17.92 C ATOM 1370 C LEU E 196 63.021 44.242 2.644 1.00 17.78 C ATOM 1371 O LEU E 196 64.161 43.894 2.315 1.00 17.74 O ATOM 1372 CB LEU E 196 61.818 42.033 2.632 1.00 18.84 C ATOM 1373 CG LEU E 196 61.764 41.777 4.116 1.00 21.83 C ATOM 1374 CD1 LEU E 196 60.505 42.489 4.718 1.00 21.61 C ATOM 1375 CD2 LEU E 196 61.684 40.245 4.321 1.00 19.37 C ATOM 1376 N ASP E 197 62.797 45.284 3.469 1.00 14.79 N ATOM 1377 CA ASP E 197 63.902 46.133 3.859 1.00 15.35 C ATOM 1378 C ASP E 197 64.403 45.826 5.273 1.00 14.73 C ATOM 1379 O ASP E 197 65.576 45.498 5.463 1.00 15.23 O ATOM 1380 CB ASP E 197 63.481 47.590 3.737 1.00 14.87 C ATOM 1381 CG ASP E 197 64.643 48.553 3.832 1.00 18.43 C ATOM 1382 OD1 ASP E 197 65.809 48.106 3.776 1.00 19.94 O ATOM 1383 OD2 ASP E 197 64.467 49.797 3.922 1.00 20.29 O ATOM 1384 N VAL E 198 63.519 45.906 6.284 1.00 13.91 N ATOM 1385 CA VAL E 198 63.921 45.636 7.667 1.00 13.64 C ATOM 1386 C VAL E 198 62.759 44.906 8.338 1.00 12.65 C ATOM 1387 O VAL E 198 61.648 44.820 7.785 1.00 13.72 O ATOM 1388 CB VAL E 198 64.187 46.972 8.470 1.00 13.98 C ATOM 1389 CG1 VAL E 198 65.359 47.805 7.825 1.00 13.36 C ATOM 1390 CG2 VAL E 198 62.882 47.843 8.556 1.00 14.06 C ATOM 1391 N MET E 199 63.032 44.378 9.496 1.00 13.04 N ATOM 1392 CA MET E 199 62.014 43.662 10.273 1.00 13.36 C ATOM 1393 C MET E 199 61.750 44.407 11.590 1.00 12.50 C ATOM 1394 O MET E 199 62.627 45.110 12.118 1.00 11.92 O ATOM 1395 CB MET E 199 62.524 42.290 10.720 1.00 13.75 C ATOM 1396 CG MET E 199 63.033 41.359 9.562 1.00 15.20 C ATOM 1397 SD MET E 199 61.795 41.061 8.278 1.00 16.55 S ATOM 1398 CE MET E 199 60.994 39.525 8.896 1.00 16.59 C ATOM 1399 N ALA E 200 60.593 44.150 12.185 1.00 11.23 N ATOM 1400 CA ALA E 200 60.297 44.708 13.522 1.00 11.29 C ATOM 1401 C ALA E 200 59.279 43.742 14.158 1.00 11.37 C ATOM 1402 O ALA E 200 58.739 42.854 13.453 1.00 11.99 O ATOM 1403 CB ALA E 200 59.733 46.126 13.425 1.00 12.17 C ATOM 1404 N PRO E 201 59.053 43.831 15.469 1.00 12.46 N ATOM 1405 CA PRO E 201 58.115 42.877 16.132 1.00 11.40 C ATOM 1406 C PRO E 201 56.697 42.994 15.573 1.00 11.98 C ATOM 1407 O PRO E 201 56.141 44.099 15.472 1.00 11.74 O ATOM 1408 CB PRO E 201 58.120 43.329 17.593 1.00 12.37 C ATOM 1409 CG PRO E 201 59.585 43.921 17.745 1.00 10.87 C ATOM 1410 CD PRO E 201 59.726 44.727 16.439 1.00 11.60 C ATOM 1411 N GLY E 202 56.094 41.837 15.261 1.00 11.10 N ATOM 1412 CA GLY E 202 54.782 41.840 14.635 1.00 12.07 C ATOM 1413 C GLY E 202 53.928 40.657 15.098 1.00 13.62 C ATOM 1414 O GLY E 202 52.916 40.344 14.467 1.00 13.62 O ATOM 1415 N VAL E 203 54.345 40.020 16.188 1.00 13.18 N ATOM 1416 CA VAL E 203 53.570 38.908 16.764 1.00 14.00 C ATOM 1417 C VAL E 203 53.126 39.235 18.190 1.00 14.21 C ATOM 1418 O VAL E 203 53.955 39.558 19.026 1.00 13.83 O ATOM 1419 CB VAL E 203 54.429 37.616 16.749 1.00 15.54 C ATOM 1420 CG1 VAL E 203 53.700 36.425 17.470 1.00 14.51 C ATOM 1421 CG2 VAL E 203 54.812 37.257 15.291 1.00 15.21 C ATOM 1422 N SER E 204 51.822 39.109 18.472 1.00 13.66 N ATOM 1423 CA SER E 204 51.274 39.308 19.837 1.00 13.80 C ATOM 1424 C SER E 204 51.687 40.711 20.394 1.00 13.19 C ATOM 1425 O SER E 204 52.247 40.838 21.489 1.00 13.30 O ATOM 1426 CB SER E 204 51.744 38.186 20.775 1.00 16.41 C ATOM 1427 OG ASER E 204 51.286 36.920 20.277 0.67 14.54 O ATOM 1428 OG BSER E 204 51.017 38.250 21.978 0.33 15.20 O ATOM 1429 N ILE E 205 51.408 41.731 19.599 1.00 12.90 N ATOM 1430 CA ILE E 205 51.776 43.108 19.937 1.00 12.03 C ATOM 1431 C ILE E 205 50.616 43.769 20.674 1.00 11.45 C ATOM 1432 O ILE E 205 49.558 44.014 20.090 1.00 12.68 O ATOM 1433 CB ILE E 205 52.091 43.902 18.644 1.00 11.77 C ATOM 1434 CG1 ILE E 205 53.229 43.206 17.816 1.00 11.47 C ATOM 1435 CG2 ILE E 205 52.464 45.390 18.951 1.00 11.20 C ATOM 1436 CD1 ILE E 205 54.561 42.945 18.611 1.00 11.58 C ATOM 1437 N GLN E 206 50.835 44.098 21.950 1.00 11.67 N ATOM 1438 CA GLN E 206 49.814 44.809 22.735 1.00 11.86 C ATOM 1439 C GLN E 206 49.793 46.292 22.400 1.00 11.98 C ATOM 1440 O GLN E 206 50.860 46.934 22.320 1.00 11.35 O ATOM 1441 CB GLN E 206 50.089 44.659 24.256 1.00 13.73 C ATOM 1442 CG GLN E 206 49.814 43.255 24.764 1.00 15.94 C ATOM 1443 CD GLN E 206 48.295 43.007 24.952 1.00 17.01 C ATOM 1444 OE1 GLN E 206 47.491 43.946 24.876 1.00 14.89 O ATOM 1445 NE2 GLN E 206 47.926 41.747 25.234 1.00 19.79 N ATOM 1446 N SER E 207 48.594 46.815 22.169 1.00 11.34 N ATOM 1447 CA SER E 207 48.430 48.260 21.905 1.00 12.36 C ATOM 1448 C SER E 207 46.989 48.716 22.233 1.00 11.53 C ATOM 1449 O SER E 207 46.134 47.934 22.697 1.00 11.93 O ATOM 1450 CB SER E 207 48.784 48.596 20.439 1.00 12.17 C ATOM 1451 OG SER E 207 48.843 49.986 20.240 1.00 12.63 O ATOM 1452 N THR E 208 46.725 49.986 21.952 1.00 11.85 N ATOM 1453 CA THR E 208 45.418 50.611 22.234 1.00 12.52 C ATOM 1454 C THR E 208 44.359 50.150 21.239 1.00 13.56 C ATOM 1455 O THR E 208 44.643 49.981 20.065 1.00 13.16 O ATOM 1456 CB THR E 208 45.582 52.150 22.076 1.00 12.45 C ATOM 1457 OG1 THR E 208 46.355 52.405 20.878 1.00 12.80 O ATOM 1458 CG2 THR E 208 46.442 52.690 23.271 1.00 11.08 C ATOM 1459 N LEU E 209 43.140 49.929 21.737 1.00 13.73 N ATOM 1460 CA LEU E 209 41.965 49.620 20.867 1.00 14.46 C ATOM 1461 C LEU E 209 40.821 50.580 21.230 1.00 13.94 C ATOM 1462 O LEU E 209 40.761 51.057 22.363 1.00 13.74 O ATOM 1463 CB LEU E 209 41.508 48.156 21.084 1.00 14.04 C ATOM 1464 CG LEU E 209 42.534 47.142 20.549 1.00 14.19 C ATOM 1465 CD1 LEU E 209 42.205 45.667 21.046 1.00 15.70 C ATOM 1466 CD2 LEU E 209 42.615 47.172 19.030 1.00 14.03 C ATOM 1467 N PRO E 210 39.899 50.848 20.309 1.00 15.08 N ATOM 1468 CA PRO E 210 38.828 51.827 20.586 1.00 15.53 C ATOM 1469 C PRO E 210 37.963 51.487 21.823 1.00 15.61 C ATOM 1470 O PRO E 210 37.803 50.303 22.213 1.00 15.18 O ATOM 1471 CB PRO E 210 37.971 51.800 19.307 1.00 15.89 C ATOM 1472 CG PRO E 210 38.970 51.291 18.199 1.00 15.91 C ATOM 1473 CD PRO E 210 39.817 50.274 18.953 1.00 14.78 C ATOM 1474 N GLY E 211 37.401 52.539 22.415 1.00 16.34 N ATOM 1475 CA GLY E 211 36.580 52.387 23.623 1.00 16.92 C ATOM 1476 C GLY E 211 37.431 52.094 24.853 1.00 15.97 C ATOM 1477 O GLY E 211 37.042 51.290 25.717 1.00 15.72 O ATOM 1478 N ASN E 212 38.627 52.690 24.891 1.00 15.86 N ATOM 1479 CA ASN E 212 39.521 52.562 26.033 1.00 15.72 C ATOM 1480 C ASN E 212 39.838 51.115 26.360 1.00 15.99 C ATOM 1481 O ASN E 212 39.683 50.657 27.501 1.00 16.41 O ATOM 1482 CB ASN E 212 38.898 53.255 27.249 1.00 17.33 C ATOM 1483 CG ASN E 212 39.857 53.342 28.431 1.00 18.41 C ATOM 1484 OD1 ASN E 212 41.076 53.345 28.268 1.00 19.35 O ATOM 1485 ND2 ASN E 212 39.291 53.338 29.638 1.00 22.52 N ATOM 1486 N LYS E 213 40.279 50.374 25.353 1.00 13.79 N ATOM 1487 CA LYS E 213 40.659 48.975 25.542 1.00 13.91 C ATOM 1488 C LYS E 213 42.103 48.796 25.066 1.00 12.82 C ATOM 1489 O LYS E 213 42.716 49.773 24.576 1.00 12.96 O ATOM 1490 CB LYS E 213 39.740 48.068 24.672 1.00 15.44 C ATOM 1491 CG LYS E 213 38.198 48.140 25.030 1.00 17.97 C ATOM 1492 CD LYS E 213 37.936 47.578 26.437 1.00 23.33 C ATOM 1493 CE LYS E 213 36.398 47.481 26.733 1.00 25.06 C ATOM 1494 NZ ALYS E 213 36.179 46.736 28.037 0.50 22.96 N ATOM 1495 NZ BLYS E 213 35.745 48.812 26.722 0.50 22.73 N ATOM 1496 N TYR E 214 42.655 47.598 25.287 1.00 12.69 N ATOM 1497 CA TYR E 214 44.001 47.218 24.793 1.00 13.06 C ATOM 1498 C TYR E 214 43.908 45.801 24.283 1.00 13.52 C ATOM 1499 O TYR E 214 43.007 45.036 24.716 1.00 14.70 O ATOM 1500 CB TYR E 214 45.056 47.231 25.936 1.00 12.58 C ATOM 1501 CG TYR E 214 45.124 48.600 26.576 1.00 12.89 C ATOM 1502 CD1 TYR E 214 45.953 49.601 26.024 1.00 13.02 C ATOM 1503 CD2 TYR E 214 44.274 48.935 27.652 1.00 14.57 C ATOM 1504 CE1 TYR E 214 45.998 50.910 26.595 1.00 11.76 C ATOM 1505 CE2 TYR E 214 44.319 50.252 28.239 1.00 15.68 C ATOM 1506 CZ TYR E 214 45.162 51.219 27.670 1.00 13.38 C ATOM 1507 OH TYR E 214 45.180 52.488 28.238 1.00 12.37 O ATOM 1508 N GLY E 215 44.827 45.407 23.414 1.00 13.65 N ATOM 1509 CA GLY E 215 44.818 44.015 23.009 1.00 12.32 C ATOM 1510 C GLY E 215 45.983 43.689 22.117 1.00 12.72 C ATOM 1511 O GLY E 215 46.579 44.601 21.527 1.00 11.67 O ATOM 1512 N ALA E 216 46.277 42.398 22.011 1.00 11.72 N ATOM 1513 CA ALA E 216 47.399 41.876 21.219 1.00 13.72 C ATOM 1514 C ALA E 216 46.968 41.537 19.771 1.00 14.76 C ATOM 1515 O ALA E 216 46.080 40.689 19.567 1.00 14.76 O ATOM 1516 CB ALA E 216 47.940 40.586 21.911 1.00 13.54 C ATOM 1517 N TYR E 217 47.556 42.232 18.784 1.00 14.40 N ATOM 1518 CA TYR E 217 47.310 41.939 17.363 1.00 14.06 C ATOM 1519 C TYR E 217 48.610 41.408 16.731 1.00 14.25 C ATOM 1520 O TYR E 217 49.709 41.510 17.333 1.00 13.53 O ATOM 1521 CB TYR E 217 46.869 43.218 16.615 1.00 14.11 C ATOM 1522 CG TYR E 217 45.408 43.610 16.738 1.00 14.72 C ATOM 1523 CD1 TYR E 217 44.555 43.002 17.653 1.00 15.46 C ATOM 1524 CD2 TYR E 217 44.879 44.578 15.883 1.00 14.71 C ATOM 1525 CE1 TYR E 217 43.184 43.390 17.744 1.00 15.96 C ATOM 1526 CE2 TYR E 217 43.515 44.966 15.957 1.00 16.21 C ATOM 1527 CZ TYR E 217 42.690 44.350 16.868 1.00 16.04 C ATOM 1528 OH TYR E 217 41.365 44.736 16.926 1.00 16.82 O ATOM 1529 N ASN E 218 48.461 40.778 15.546 1.00 13.57 N ATOM 1530 CA ASN E 218 49.560 40.173 14.780 1.00 14.52 C ATOM 1531 C ASN E 218 49.551 40.755 13.399 1.00 13.58 C ATOM 1532 O ASN E 218 48.488 41.086 12.905 1.00 14.92 O ATOM 1533 CB ASN E 218 49.346 38.637 14.639 1.00 15.08 C ATOM 1534 CG ASN E 218 49.241 37.956 15.984 1.00 18.39 C ATOM 1535 OD1 ASN E 218 50.218 37.798 16.688 1.00 20.23 O ATOM 1536 ND2 ASN E 218 48.015 37.575 16.367 1.00 26.49 N ATOM 1537 N GLY E 219 50.708 40.861 12.758 1.00 13.26 N ATOM 1538 CA GLY E 219 50.734 41.270 11.364 1.00 12.40 C ATOM 1539 C GLY E 219 51.906 42.150 11.010 1.00 13.27 C ATOM 1540 O GLY E 219 52.547 42.753 11.911 1.00 12.84 O ATOM 1541 N THR E 220 52.207 42.253 9.711 1.00 14.21 N ATOM 1542 CA THR E 220 53.200 43.253 9.321 1.00 13.93 C ATOM 1543 C THR E 220 52.636 44.667 9.596 1.00 13.66 C ATOM 1544 O THR E 220 53.403 45.626 9.652 1.00 13.76 O ATOM 1545 CB THR E 220 53.682 43.122 7.854 1.00 14.67 C ATOM 1546 OG1 THR E 220 52.556 43.003 6.937 1.00 14.15 O ATOM 1547 CG2 THR E 220 54.565 41.831 7.682 1.00 13.77 C ATOM 1548 N SER E 221 51.314 44.790 9.700 1.00 13.08 N ATOM 1549 CA SER E 221 50.680 46.043 10.185 1.00 12.74 C ATOM 1550 C SER E 221 51.215 46.510 11.547 1.00 12.73 C ATOM 1551 O SER E 221 51.219 47.715 11.818 1.00 12.39 O ATOM 1552 CB SER E 221 49.179 45.892 10.431 1.00 12.55 C ATOM 1553 OG SER E 221 48.471 45.988 9.220 1.00 13.10 O ATOM 1554 N MET E 222 51.543 45.555 12.413 1.00 11.82 N ATOM 1555 CA MET E 222 52.065 45.840 13.750 1.00 11.95 C ATOM 1556 C MET E 222 53.568 46.117 13.724 1.00 12.23 C ATOM 1557 O MET E 222 54.076 46.808 14.625 1.00 12.11 O ATOM 1558 CB MET E 222 51.804 44.642 14.721 1.00 11.80 C ATOM 1559 CG MET E 222 50.314 44.535 15.225 1.00 12.27 C ATOM 1560 SD MET E 222 49.026 44.330 13.893 1.00 14.62 S ATOM 1561 CE MET E 222 48.263 45.932 13.815 1.00 12.62 C ATOM 1562 N ALA E 223 54.268 45.589 12.719 1.00 12.56 N ATOM 1563 CA ALA E 223 55.720 45.758 12.626 1.00 12.06 C ATOM 1564 C ALA E 223 56.032 47.165 12.108 1.00 11.15 C ATOM 1565 O ALA E 223 56.863 47.861 12.652 1.00 11.07 O ATOM 1566 CB ALA E 223 56.319 44.685 11.675 1.00 12.31 C ATOM 1567 N SER E 224 55.308 47.583 11.076 1.00 10.52 N ATOM 1568 CA SER E 224 55.506 48.889 10.431 1.00 10.73 C ATOM 1569 C SER E 224 55.545 50.075 11.435 1.00 11.15 C ATOM 1570 O SER E 224 56.465 50.890 11.344 1.00 12.66 O ATOM 1571 CB SER E 224 54.446 49.115 9.345 1.00 11.63 C ATOM 1572 OG SER E 224 54.622 50.349 8.630 1.00 11.88 O ATOM 1573 N PRO E 225 54.590 50.219 12.351 1.00 10.52 N ATOM 1574 CA PRO E 225 54.635 51.385 13.259 1.00 9.73 C ATOM 1575 C PRO E 225 55.804 51.338 14.234 1.00 11.22 C ATOM 1576 O PRO E 225 56.138 52.433 14.743 1.00 10.85 O ATOM 1577 CB PRO E 225 53.276 51.328 14.027 1.00 10.78 C ATOM 1578 CG PRO E 225 52.882 49.817 13.901 1.00 8.82 C ATOM 1579 CD PRO E 225 53.325 49.479 12.483 1.00 10.27 C ATOM 1580 N HIS E 226 56.430 50.177 14.494 1.00 11.02 N ATOM 1581 CA HIS E 226 57.655 50.235 15.303 1.00 10.54 C ATOM 1582 C HIS E 226 58.704 51.079 14.533 1.00 10.82 C ATOM 1583 O HIS E 226 59.486 51.826 15.144 1.00 10.93 O ATOM 1584 CB HIS E 226 58.221 48.821 15.573 1.00 10.65 C ATOM 1585 CG HIS E 226 57.429 48.046 16.593 1.00 12.03 C ATOM 1586 ND1 HIS E 226 56.326 47.270 16.264 1.00 10.63 N ATOM 1587 CD2 HIS E 226 57.632 47.864 17.914 1.00 11.42 C ATOM 1588 CE1 HIS E 226 55.851 46.698 17.364 1.00 10.54 C ATOM 1589 NE2 HIS E 226 56.648 47.008 18.371 1.00 10.93 N ATOM 1590 N VAL E 227 58.776 50.868 13.211 1.00 11.00 N ATOM 1591 CA VAL E 227 59.778 51.568 12.387 1.00 11.35 C ATOM 1592 C VAL E 227 59.363 53.041 12.194 1.00 11.44 C ATOM 1593 O VAL E 227 60.224 53.935 12.235 1.00 11.48 O ATOM 1594 CB VAL E 227 59.969 50.828 11.037 1.00 11.97 C ATOM 1595 CG1 VAL E 227 60.964 51.558 10.102 1.00 11.00 C ATOM 1596 CG2 VAL E 227 60.429 49.389 11.326 1.00 11.29 C ATOM 1597 N ALA E 228 58.066 53.305 12.009 1.00 10.57 N ATOM 1598 CA ALA E 228 57.649 54.703 11.887 1.00 10.94 C ATOM 1599 C ALA E 228 57.941 55.439 13.208 1.00 11.78 C ATOM 1600 O ALA E 228 58.429 56.565 13.192 1.00 11.56 O ATOM 1601 CB ALA E 228 56.166 54.772 11.578 1.00 11.86 C ATOM 1602 N GLY E 229 57.593 54.823 14.350 1.00 11.35 N ATOM 1603 CA GLY E 229 57.913 55.398 15.676 1.00 10.91 C ATOM 1604 C GLY E 229 59.433 55.558 15.832 1.00 11.29 C ATOM 1605 O GLY E 229 59.935 56.603 16.331 1.00 10.78 O ATOM 1606 N ALA E 230 60.206 54.576 15.380 1.00 10.32 N ATOM 1607 CA ALA E 230 61.692 54.728 15.475 1.00 11.11 C ATOM 1608 C ALA E 230 62.177 55.963 14.660 1.00 11.40 C ATOM 1609 O ALA E 230 63.074 56.693 15.080 1.00 11.49 O ATOM 1610 CB ALA E 230 62.409 53.484 14.969 1.00 11.93 C ATOM 1611 N ALA E 231 61.617 56.150 13.483 1.00 11.10 N ATOM 1612 CA ALA E 231 61.971 57.309 12.650 1.00 11.45 C ATOM 1613 C ALA E 231 61.681 58.603 13.426 1.00 12.08 C ATOM 1614 O ALA E 231 62.475 59.573 13.356 1.00 12.03 O ATOM 1615 CB ALA E 231 61.136 57.297 11.325 1.00 11.27 C ATOM 1616 N ALA E 232 60.544 58.644 14.134 1.00 11.68 N ATOM 1617 CA ALA E 232 60.223 59.836 14.913 1.00 10.93 C ATOM 1618 C ALA E 232 61.198 60.006 16.067 1.00 11.04 C ATOM 1619 O ALA E 232 61.574 61.138 16.376 1.00 11.41 O ATOM 1620 CB ALA E 232 58.780 59.746 15.421 1.00 10.85 C ATOM 1621 N LEU E 233 61.622 58.921 16.750 1.00 11.06 N ATOM 1622 CA LEU E 233 62.646 59.098 17.798 1.00 11.05 C ATOM 1623 C LEU E 233 63.925 59.673 17.216 1.00 11.47 C ATOM 1624 O LEU E 233 64.551 60.560 17.816 1.00 12.00 O ATOM 1625 CB LEU E 233 63.012 57.740 18.418 1.00 10.45 C ATOM 1626 CG LEU E 233 61.891 57.147 19.298 1.00 11.28 C ATOM 1627 CD1 LEU E 233 62.381 55.723 19.819 1.00 9.21 C ATOM 1628 CD2 LEU E 233 61.556 58.094 20.475 1.00 10.68 C ATOM 1629 N ILE E 234 64.359 59.103 16.099 1.00 10.68 N ATOM 1630 CA ILE E 234 65.599 59.543 15.460 1.00 11.51 C ATOM 1631 C ILE E 234 65.544 61.047 15.098 1.00 11.61 C ATOM 1632 O ILE E 234 66.492 61.799 15.381 1.00 11.92 O ATOM 1633 CB ILE E 234 65.906 58.684 14.212 1.00 10.71 C ATOM 1634 CG1 ILE E 234 66.254 57.266 14.664 1.00 9.92 C ATOM 1635 CG2 ILE E 234 67.099 59.303 13.372 1.00 12.89 C ATOM 1636 CD1 ILE E 234 66.141 56.222 13.481 1.00 13.30 C ATOM 1637 N LEU E 235 64.451 61.460 14.488 1.00 11.10 N ATOM 1638 CA LEU E 235 64.262 62.870 14.141 1.00 12.66 C ATOM 1639 C LEU E 235 64.204 63.792 15.359 1.00 14.51 C ATOM 1640 O LEU E 235 64.668 64.956 15.279 1.00 15.09 O ATOM 1641 CB LEU E 235 62.997 63.053 13.275 1.00 12.13 C ATOM 1642 CG LEU E 235 63.157 62.576 11.833 1.00 13.71 C ATOM 1643 CD1 LEU E 235 61.775 62.440 11.161 1.00 14.78 C ATOM 1644 CD2 LEU E 235 64.083 63.538 10.974 1.00 13.95 C ATOM 1645 N SER E 236 63.645 63.315 16.481 1.00 13.50 N ATOM 1646 CA SER E 236 63.605 64.150 17.701 1.00 13.81 C ATOM 1647 C SER E 236 65.002 64.357 18.260 1.00 13.78 C ATOM 1648 O SER E 236 65.284 65.412 18.869 1.00 14.73 O ATOM 1649 CB SER E 236 62.631 63.596 18.777 1.00 12.54 C ATOM 1650 OG SER E 236 63.076 62.391 19.412 1.00 12.76 O ATOM 1651 N LYS E 237 65.880 63.386 18.045 1.00 12.09 N ATOM 1652 CA LYS E 237 67.290 63.553 18.473 1.00 13.35 C ATOM 1653 C LYS E 237 68.129 64.314 17.416 1.00 14.51 C ATOM 1654 O LYS E 237 69.096 65.012 17.784 1.00 15.24 O ATOM 1655 CB LYS E 237 67.936 62.203 18.769 1.00 12.18 C ATOM 1656 CG LYS E 237 69.386 62.345 19.331 1.00 12.17 C ATOM 1657 CD LYS E 237 69.950 61.003 19.726 1.00 13.55 C ATOM 1658 CE LYS E 237 71.401 61.145 20.239 1.00 16.55 C ATOM 1659 NZ LYS E 237 72.018 59.782 20.489 1.00 17.46 N ATOM 1660 N HIS E 238 67.788 64.169 16.136 1.00 13.00 N ATOM 1661 CA HIS E 238 68.545 64.792 15.016 1.00 13.36 C ATOM 1662 C HIS E 238 67.557 65.494 14.106 1.00 14.43 C ATOM 1663 O HIS E 238 67.231 64.993 13.026 1.00 14.00 O ATOM 1664 CB HIS E 238 69.342 63.711 14.203 1.00 12.65 C ATOM 1665 CG HIS E 238 70.334 62.945 15.022 1.00 14.82 C ATOM 1666 ND1 HIS E 238 71.585 63.449 15.351 1.00 13.41 N ATOM 1667 CD2 HIS E 238 70.261 61.705 15.586 1.00 12.74 C ATOM 1668 CE1 HIS E 238 72.249 62.536 16.048 1.00 15.40 C ATOM 1669 NE2 HIS E 238 71.456 61.488 16.238 1.00 14.53 N ATOM 1670 N PRO E 239 67.000 66.609 14.560 1.00 16.29 N ATOM 1671 CA PRO E 239 65.891 67.253 13.829 1.00 17.96 C ATOM 1672 C PRO E 239 66.272 67.734 12.420 1.00 18.29 C ATOM 1673 O PRO E 239 65.398 67.950 11.618 1.00 20.06 O ATOM 1674 CB PRO E 239 65.513 68.458 14.720 1.00 19.16 C ATOM 1675 CG PRO E 239 66.242 68.316 15.970 1.00 21.80 C ATOM 1676 CD PRO E 239 67.342 67.311 15.817 1.00 16.91 C ATOM 1677 N ASN E 240 67.544 67.878 12.117 1.00 17.57 N ATOM 1678 CA ASN E 240 67.916 68.286 10.747 1.00 18.29 C ATOM 1679 C AASN E 240 68.212 67.156 9.819 0.50 17.76 C ATOM 1680 C BASN E 240 68.556 67.147 9.926 0.50 18.03 C ATOM 1681 O AASN E 240 68.491 67.404 8.638 0.50 17.69 O ATOM 1682 O BASN E 240 69.275 67.349 8.914 0.50 17.48 O ATOM 1683 CB AASN E 240 69.228 69.095 10.884 0.50 17.42 C ATOM 1684 CB BASN E 240 68.625 69.644 10.669 0.50 19.45 C ATOM 1685 CG AASN E 240 68.943 70.545 11.095 0.50 15.64 C ATOM 1686 CG BASN E 240 69.858 69.616 11.411 0.50 18.66 C ATOM 1687 OD1AASN E 240 67.856 70.976 10.779 0.50 15.48 O ATOM 1688 OD1BASN E 240 70.183 68.571 11.937 0.50 22.26 O ATOM 1689 ND2AASN E 240 69.878 71.295 11.659 0.50 12.74 N ATOM 1690 ND2BASN E 240 70.572 70.734 11.493 0.50 19.57 N ATOM 1691 N TRP E 241 68.238 65.920 10.342 1.00 16.45 N ATOM 1692 CA TRP E 241 68.488 64.761 9.462 1.00 16.93 C ATOM 1693 C TRP E 241 67.354 64.676 8.453 1.00 16.09 C ATOM 1694 O TRP E 241 66.185 64.923 8.781 1.00 17.00 O ATOM 1695 CB TRP E 241 68.563 63.446 10.256 1.00 15.68 C ATOM 1696 CG TRP E 241 69.893 63.202 10.861 1.00 17.21 C ATOM 1697 CD1 TRP E 241 70.965 64.097 10.975 1.00 17.30 C ATOM 1698 CD2 TRP E 241 70.319 61.998 11.495 1.00 16.75 C ATOM 1699 NE1 TRP E 241 72.018 63.482 11.609 1.00 16.54 N ATOM 1700 CE2 TRP E 241 71.656 62.197 11.943 1.00 15.00 C ATOM 1701 CE3 TRP E 241 69.707 60.763 11.741 1.00 15.61 C ATOM 1702 CZ2 TRP E 241 72.372 61.219 12.615 1.00 13.54 C ATOM 1703 CZ3 TRP E 241 70.435 59.775 12.398 1.00 14.48 C ATOM 1704 CH2 TRP E 241 71.737 60.020 12.871 1.00 15.58 C ATOM 1705 N THR E 242 67.705 64.364 7.210 1.00 15.29 N ATOM 1706 CA THR E 242 66.732 64.243 6.129 1.00 15.08 C ATOM 1707 C THR E 242 66.088 62.884 6.250 1.00 14.14 C ATOM 1708 O THR E 242 66.629 61.994 6.922 1.00 13.75 O ATOM 1709 CB THR E 242 67.445 64.257 4.726 1.00 15.31 C ATOM 1710 OG1 THR E 242 68.411 63.197 4.683 1.00 16.90 O ATOM 1711 CG2 THR E 242 68.262 65.572 4.548 1.00 16.65 C ATOM 1712 N ASN E 243 64.983 62.696 5.546 1.00 13.74 N ATOM 1713 CA ASN E 243 64.445 61.318 5.422 1.00 15.10 C ATOM 1714 C ASN E 243 65.462 60.312 4.873 1.00 14.54 C ATOM 1715 O ASN E 243 65.494 59.148 5.323 1.00 14.44 O ATOM 1716 CB ASN E 243 63.146 61.292 4.590 1.00 13.75 C ATOM 1717 CG ASN E 243 63.287 61.883 3.160 1.00 15.84 C ATOM 1718 OD1 ASN E 243 64.222 62.625 2.830 1.00 14.82 O ATOM 1719 ND2 ASN E 243 62.310 61.559 2.315 1.00 15.24 N ATOM 1720 N THR E 244 66.299 60.737 3.902 1.00 14.36 N ATOM 1721 CA THR E 244 67.338 59.857 3.377 1.00 15.20 C ATOM 1722 C THR E 244 68.226 59.358 4.484 1.00 15.63 C ATOM 1723 O THR E 244 68.577 58.169 4.539 1.00 16.22 O ATOM 1724 CB THR E 244 68.268 60.683 2.428 1.00 16.58 C ATOM 1725 OG1 THR E 244 67.435 61.378 1.493 1.00 16.86 O ATOM 1726 CG2 THR E 244 69.124 59.720 1.631 1.00 19.51 C ATOM 1727 N GLN E 245 68.626 60.286 5.365 1.00 14.49 N ATOM 1728 CA GLN E 245 69.507 59.948 6.455 1.00 14.67 C ATOM 1729 C GLN E 245 68.819 59.057 7.514 1.00 14.70 C ATOM 1730 O GLN E 245 69.457 58.153 8.079 1.00 14.20 O ATOM 1731 CB GLN E 245 70.031 61.214 7.136 1.00 14.49 C ATOM 1732 CG AGLN E 245 70.832 61.008 8.386 0.50 12.64 C ATOM 1733 CG BGLN E 245 71.024 61.991 6.284 0.50 16.35 C ATOM 1734 CD AGLN E 245 72.083 60.126 8.280 0.50 15.63 C ATOM 1735 CD BGLN E 245 71.325 63.379 6.833 0.50 16.03 C ATOM 1736 OE1AGLN E 245 72.563 59.640 9.306 0.50 15.92 O ATOM 1737 OE1BGLN E 245 70.482 64.293 6.800 0.50 17.26 O ATOM 1738 NE2AGLN E 245 72.624 59.947 7.081 0.50 11.57 N ATOM 1739 NE2BGLN E 245 72.536 63.550 7.299 0.50 19.09 N ATOM 1740 N VAL E 246 67.563 59.361 7.796 1.00 13.61 N ATOM 1741 CA VAL E 246 66.819 58.544 8.780 1.00 14.06 C ATOM 1742 C VAL E 246 66.701 57.112 8.261 1.00 13.73 C ATOM 1743 O VAL E 246 66.941 56.120 9.009 1.00 15.15 O ATOM 1744 CB VAL E 246 65.418 59.147 9.077 1.00 13.50 C ATOM 1745 CG1 VAL E 246 64.600 58.197 10.010 1.00 13.19 C ATOM 1746 CG2 VAL E 246 65.601 60.552 9.796 1.00 13.51 C ATOM 1747 N ARG E 247 66.304 56.992 6.998 1.00 13.35 N ATOM 1748 CA ARG E 247 66.209 55.681 6.362 1.00 13.05 C ATOM 1749 C ARG E 247 67.534 54.950 6.400 1.00 14.06 C ATOM 1750 O ARG E 247 67.581 53.766 6.823 1.00 14.07 O ATOM 1751 CB ARG E 247 65.729 55.817 4.924 1.00 13.00 C ATOM 1752 CG ARG E 247 65.651 54.451 4.205 1.00 14.19 C ATOM 1753 CD ARG E 247 64.838 54.523 2.946 1.00 13.51 C ATOM 1754 NE ARG E 247 64.813 53.186 2.331 1.00 18.08 N ATOM 1755 CZ ARG E 247 64.039 52.839 1.291 1.00 18.78 C ATOM 1756 NH1 ARG E 247 63.237 53.736 0.698 1.00 17.61 N ATOM 1757 NH2 ARG E 247 64.100 51.583 0.838 1.00 19.69 N ATOM 1758 N SER E 248 68.611 55.603 5.952 1.00 14.23 N ATOM 1759 CA SER E 248 69.906 54.905 6.022 1.00 14.80 C ATOM 1760 C SER E 248 70.269 54.540 7.454 1.00 13.91 C ATOM 1761 O SER E 248 70.856 53.488 7.649 1.00 14.07 O ATOM 1762 CB SER E 248 71.118 55.713 5.467 1.00 14.96 C ATOM 1763 OG ASER E 248 70.917 56.167 4.149 0.67 16.50 O ATOM 1764 OG BSER E 248 71.119 57.026 5.858 0.33 13.26 O ATOM 1765 N SER E 249 69.953 55.390 8.446 1.00 13.98 N ATOM 1766 CA SER E 249 70.389 55.094 9.796 1.00 13.86 C ATOM 1767 C SER E 249 69.711 53.801 10.297 1.00 14.01 C ATOM 1768 O SER E 249 70.360 52.992 10.987 1.00 14.25 O ATOM 1769 CB SER E 249 70.126 56.256 10.791 1.00 13.55 C ATOM 1770 OG ASER E 249 70.676 57.465 10.302 0.33 13.56 O ATOM 1771 OG BSER E 249 68.755 56.410 11.083 0.67 11.87 O ATOM 1772 N LEU E 250 68.453 53.613 9.929 1.00 13.51 N ATOM 1773 CA LEU E 250 67.738 52.387 10.366 1.00 13.54 C ATOM 1774 C LEU E 250 68.274 51.155 9.625 1.00 13.32 C ATOM 1775 O LEU E 250 68.493 50.074 10.220 1.00 15.07 O ATOM 1776 CB LEU E 250 66.249 52.551 10.051 1.00 13.34 C ATOM 1777 CG LEU E 250 65.552 53.474 11.098 1.00 14.56 C ATOM 1778 CD1 LEU E 250 64.270 54.035 10.476 1.00 16.82 C ATOM 1779 CD2 LEU E 250 65.306 52.733 12.425 1.00 15.06 C ATOM 1780 N GLU E 251 68.487 51.307 8.321 1.00 13.53 N ATOM 1781 CA GLU E 251 68.980 50.177 7.505 1.00 13.37 C ATOM 1782 C GLU E 251 70.394 49.755 7.892 1.00 15.05 C ATOM 1783 O GLU E 251 70.730 48.557 7.882 1.00 14.85 O ATOM 1784 CB GLU E 251 68.944 50.550 6.016 1.00 14.10 C ATOM 1785 CG GLU E 251 67.530 50.643 5.480 1.00 13.41 C ATOM 1786 CD GLU E 251 67.472 51.275 4.091 1.00 19.48 C ATOM 1787 OE1 GLU E 251 68.475 51.896 3.651 1.00 20.35 O ATOM 1788 OE2 GLU E 251 66.397 51.171 3.446 1.00 17.82 O ATOM 1789 N ASN E 252 71.228 50.742 8.230 1.00 13.67 N ATOM 1790 CA ASN E 252 72.640 50.493 8.451 1.00 13.63 C ATOM 1791 C ASN E 252 72.995 49.996 9.857 1.00 14.19 C ATOM 1792 O ASN E 252 74.173 49.723 10.132 1.00 14.36 O ATOM 1793 CB ASN E 252 73.420 51.804 8.167 1.00 14.05 C ATOM 1794 CG ASN E 252 73.406 52.220 6.693 1.00 13.26 C ATOM 1795 OD1 ASN E 252 73.958 53.314 6.371 1.00 17.65 O ATOM 1796 ND2 ASN E 252 72.784 51.435 5.811 1.00 12.56 N ATOM 1797 N THR E 253 71.999 49.933 10.781 1.00 12.93 N ATOM 1798 CA THR E 253 72.284 49.566 12.151 1.00 13.35 C ATOM 1799 C THR E 253 71.393 48.403 12.627 1.00 12.60 C ATOM 1800 O THR E 253 71.313 48.165 13.815 1.00 14.01 O ATOM 1801 CB THR E 253 72.064 50.754 13.109 1.00 13.00 C ATOM 1802 OG1 THR E 253 70.701 51.232 12.955 1.00 13.03 O ATOM 1803 CG2 THR E 253 72.959 51.970 12.683 1.00 14.14 C ATOM 1804 N THR E 254 70.749 47.712 11.704 1.00 13.49 N ATOM 1805 CA THR E 254 69.958 46.553 12.095 1.00 13.16 C ATOM 1806 C THR E 254 70.838 45.466 12.732 1.00 13.87 C ATOM 1807 O THR E 254 72.052 45.369 12.487 1.00 15.39 O ATOM 1808 CB THR E 254 69.292 45.893 10.874 1.00 13.47 C ATOM 1809 OG1 THR E 254 70.311 45.690 9.859 1.00 14.49 O ATOM 1810 CG2 THR E 254 68.170 46.746 10.210 1.00 12.21 C ATOM 1811 N THR E 255 70.186 44.596 13.487 1.00 13.69 N ATOM 1812 CA THR E 255 70.803 43.335 13.939 1.00 14.06 C ATOM 1813 C THR E 255 70.508 42.329 12.842 1.00 15.85 C ATOM 1814 O THR E 255 69.353 42.003 12.594 1.00 14.40 O ATOM 1815 CB THR E 255 70.178 42.932 15.262 1.00 14.54 C ATOM 1816 OG1 THR E 255 70.600 43.865 16.278 1.00 15.28 O ATOM 1817 CG2 THR E 255 70.751 41.510 15.747 1.00 16.56 C ATOM 1818 N LYS E 256 71.541 41.873 12.127 1.00 17.03 N ATOM 1819 CA LYS E 256 71.319 40.963 11.000 1.00 18.04 C ATOM 1820 C LYS E 256 70.804 39.632 11.556 1.00 18.71 C ATOM 1821 O LYS E 256 71.239 39.173 12.636 1.00 18.25 O ATOM 1822 CB LYS E 256 72.623 40.793 10.141 1.00 19.88 C ATOM 1823 CG LYS E 256 73.008 42.131 9.329 1.00 17.84 C ATOM 1824 CD LYS E 256 72.435 42.178 7.869 1.00 20.90 C ATOM 1825 CE LYS E 256 72.703 43.594 7.245 1.00 21.23 C ATOM 1826 NZ LYS E 256 73.035 43.700 5.747 1.00 17.29 N ATOM 1827 N LEU E 257 69.838 39.077 10.837 1.00 18.91 N ATOM 1828 CA LEU E 257 69.151 37.864 11.236 1.00 21.11 C ATOM 1829 C LEU E 257 69.486 36.836 10.137 1.00 23.74 C ATOM 1830 O LEU E 257 70.671 36.643 9.847 1.00 27.43 O ATOM 1831 CB LEU E 257 67.645 38.137 11.394 1.00 19.03 C ATOM 1832 CG LEU E 257 67.338 39.130 12.554 1.00 17.99 C ATOM 1833 CD1 LEU E 257 65.794 39.398 12.703 1.00 17.37 C ATOM 1834 CD2 LEU E 257 67.946 38.655 13.887 1.00 20.02 C ATOM 1835 N GLY E 258 68.516 36.224 9.486 1.00 25.73 N ATOM 1836 CA GLY E 258 68.849 35.334 8.363 1.00 25.84 C ATOM 1837 C GLY E 258 69.107 35.931 6.982 1.00 25.57 C ATOM 1838 O GLY E 258 69.397 37.121 6.804 1.00 25.81 O ATOM 1839 N ASP E 259 68.958 35.084 5.964 1.00 25.48 N ATOM 1840 CA ASP E 259 69.029 35.539 4.585 1.00 25.00 C ATOM 1841 C ASP E 259 68.093 36.715 4.283 1.00 23.31 C ATOM 1842 O ASP E 259 66.953 36.728 4.780 1.00 21.88 O ATOM 1843 CB ASP E 259 68.703 34.383 3.643 1.00 26.85 C ATOM 1844 CG ASP E 259 68.973 34.751 2.214 1.00 31.65 C ATOM 1845 OD1 ASP E 259 70.131 34.544 1.761 1.00 41.44 O ATOM 1846 OD2 ASP E 259 68.153 35.310 1.480 1.00 32.16 O ATOM 1847 N SER E 260 68.574 37.677 3.488 1.00 22.51 N ATOM 1848 CA SER E 260 67.862 38.939 3.219 1.00 22.65 C ATOM 1849 C SER E 260 66.544 38.765 2.488 1.00 21.86 C ATOM 1850 O SER E 260 65.642 39.584 2.623 1.00 20.11 O ATOM 1851 CB SER E 260 68.750 39.942 2.462 1.00 23.83 C ATOM 1852 OG SER E 260 69.144 39.411 1.207 1.00 27.99 O ATOM 1853 N PHE E 261 66.403 37.656 1.739 1.00 21.13 N ATOM 1854 CA PHE E 261 65.136 37.358 1.101 1.00 20.41 C ATOM 1855 C PHE E 261 64.026 37.224 2.131 1.00 18.47 C ATOM 1856 O PHE E 261 62.897 37.606 1.862 1.00 19.13 O ATOM 1857 CB PHE E 261 65.256 36.014 0.335 1.00 21.01 C ATOM 1858 CG PHE E 261 64.096 35.721 -0.565 1.00 20.40 C ATOM 1859 CD1 PHE E 261 63.997 36.309 -1.826 1.00 21.11 C ATOM 1860 CD2 PHE E 261 63.097 34.827 -0.136 1.00 22.37 C ATOM 1861 CE1 PHE E 261 62.922 36.032 -2.677 1.00 22.39 C ATOM 1862 CE2 PHE E 261 62.002 34.541 -0.983 1.00 24.67 C ATOM 1863 CZ PHE E 261 61.910 35.141 -2.234 1.00 22.30 C ATOM 1864 N TYR E 262 64.352 36.627 3.273 1.00 17.82 N ATOM 1865 CA TYR E 262 63.365 36.370 4.336 1.00 18.41 C ATOM 1866 C TYR E 262 63.345 37.424 5.433 1.00 17.88 C ATOM 1867 O TYR E 262 62.314 37.594 6.104 1.00 18.25 O ATOM 1868 CB TYR E 262 63.635 35.013 4.989 1.00 19.43 C ATOM 1869 CG TYR E 262 63.493 33.902 3.972 1.00 22.66 C ATOM 1870 CD1 TYR E 262 62.221 33.470 3.570 1.00 26.59 C ATOM 1871 CD2 TYR E 262 64.621 33.319 3.383 1.00 28.56 C ATOM 1872 CE1 TYR E 262 62.066 32.449 2.605 1.00 28.79 C ATOM 1873 CE2 TYR E 262 64.485 32.300 2.412 1.00 30.52 C ATOM 1874 CZ TYR E 262 63.214 31.882 2.038 1.00 31.33 C ATOM 1875 OH TYR E 262 63.082 30.888 1.088 1.00 31.01 O ATOM 1876 N TYR E 263 64.497 38.050 5.661 1.00 17.21 N ATOM 1877 CA TYR E 263 64.689 38.941 6.818 1.00 17.47 C ATOM 1878 C TYR E 263 65.098 40.372 6.444 1.00 17.46 C ATOM 1879 O TYR E 263 65.299 41.187 7.334 1.00 18.33 O ATOM 1880 CB TYR E 263 65.737 38.361 7.795 1.00 17.28 C ATOM 1881 CG TYR E 263 65.249 37.177 8.612 1.00 17.60 C ATOM 1882 CD1 TYR E 263 64.619 37.357 9.872 1.00 16.99 C ATOM 1883 CD2 TYR E 263 65.375 35.859 8.121 1.00 19.64 C ATOM 1884 CE1 TYR E 263 64.157 36.253 10.643 1.00 17.31 C ATOM 1885 CE2 TYR E 263 64.933 34.770 8.872 1.00 20.17 C ATOM 1886 CZ TYR E 263 64.308 34.959 10.122 1.00 20.63 C ATOM 1887 OH TYR E 263 63.824 33.890 10.882 1.00 21.34 O ATOM 1888 N GLY E 264 65.293 40.662 5.162 1.00 17.23 N ATOM 1889 CA GLY E 264 65.835 41.976 4.757 1.00 16.40 C ATOM 1890 C GLY E 264 67.161 42.187 5.471 1.00 17.38 C ATOM 1891 O GLY E 264 67.922 41.233 5.673 1.00 16.73 O ATOM 1892 N LYS E 265 67.404 43.417 5.929 1.00 15.40 N ATOM 1893 CA LYS E 265 68.622 43.726 6.677 1.00 15.68 C ATOM 1894 C LYS E 265 68.604 43.273 8.150 1.00 15.32 C ATOM 1895 O LYS E 265 69.630 43.347 8.838 1.00 16.01 O ATOM 1896 CB LYS E 265 68.877 45.249 6.569 1.00 15.55 C ATOM 1897 CG LYS E 265 69.117 45.611 5.053 1.00 18.14 C ATOM 1898 CD LYS E 265 69.090 47.115 4.839 1.00 19.63 C ATOM 1899 CE LYS E 265 69.305 47.460 3.316 1.00 24.15 C ATOM 1900 NZ LYS E 265 68.092 47.054 2.451 1.00 25.30 N ATOM 1901 N GLY E 266 67.457 42.793 8.634 1.00 14.90 N ATOM 1902 CA GLY E 266 67.395 42.319 9.997 1.00 13.52 C ATOM 1903 C GLY E 266 66.509 43.222 10.867 1.00 13.80 C ATOM 1904 O GLY E 266 65.744 44.043 10.354 1.00 13.32 O ATOM 1905 N LEU E 267 66.671 43.079 12.166 1.00 13.88 N ATOM 1906 CA LEU E 267 65.798 43.759 13.146 1.00 12.81 C ATOM 1907 C LEU E 267 66.292 45.182 13.368 1.00 11.88 C ATOM 1908 O LEU E 267 67.463 45.372 13.628 1.00 13.20 O ATOM 1909 CB LEU E 267 65.875 43.047 14.491 1.00 13.26 C ATOM 1910 CG LEU E 267 65.148 43.749 15.677 1.00 11.82 C ATOM 1911 CD1 LEU E 267 63.624 43.674 15.466 1.00 12.47 C ATOM 1912 CD2 LEU E 267 65.555 42.999 16.948 1.00 13.96 C ATOM 1913 N ILE E 268 65.403 46.172 13.304 1.00 12.00 N ATOM 1914 CA ILE E 268 65.851 47.538 13.629 1.00 11.66 C ATOM 1915 C ILE E 268 66.319 47.687 15.063 1.00 12.13 C ATOM 1916 O ILE E 268 65.835 47.019 16.010 1.00 12.52 O ATOM 1917 CB ILE E 268 64.742 48.602 13.297 1.00 11.89 C ATOM 1918 CG1 ILE E 268 63.471 48.396 14.141 1.00 10.35 C ATOM 1919 CG2 ILE E 268 64.470 48.612 11.761 1.00 11.54 C ATOM 1920 CD1 ILE E 268 62.711 49.784 14.425 1.00 12.35 C ATOM 1921 N ASN E 269 67.265 48.619 15.233 1.00 11.99 N ATOM 1922 CA ASN E 269 67.837 48.914 16.497 1.00 11.76 C ATOM 1923 C ASN E 269 67.925 50.442 16.564 1.00 11.92 C ATOM 1924 O ASN E 269 68.815 51.055 15.966 1.00 11.19 O ATOM 1925 CB ASN E 269 69.229 48.265 16.623 1.00 11.97 C ATOM 1926 CG ASN E 269 69.995 48.739 17.875 1.00 14.81 C ATOM 1927 OD1 ASN E 269 69.581 49.669 18.595 1.00 13.41 O ATOM 1928 ND2 ASN E 269 71.091 48.038 18.187 1.00 14.58 N ATOM 1929 N VAL E 270 66.950 51.055 17.221 1.00 10.65 N ATOM 1930 CA VAL E 270 66.871 52.542 17.159 1.00 11.60 C ATOM 1931 C VAL E 270 67.978 53.225 18.011 1.00 12.03 C ATOM 1932 O VAL E 270 68.408 54.335 17.686 1.00 10.99 O ATOM 1933 CB VAL E 270 65.427 53.035 17.490 1.00 13.59 C ATOM 1934 CG1 VAL E 270 65.108 52.809 18.939 1.00 12.70 C ATOM 1935 CG2 VAL E 270 65.260 54.564 17.151 1.00 12.72 C ATOM 1936 N GLN E 271 68.444 52.579 19.073 1.00 11.00 N ATOM 1937 CA GLN E 271 69.622 53.067 19.827 1.00 12.78 C ATOM 1938 C GLN E 271 70.815 53.274 18.866 1.00 13.54 C ATOM 1939 O GLN E 271 71.455 54.356 18.840 1.00 14.62 O ATOM 1940 CB GLN E 271 69.975 52.108 20.967 1.00 12.06 C ATOM 1941 CG GLN E 271 71.198 52.594 21.790 1.00 14.52 C ATOM 1942 CD GLN E 271 71.570 51.621 22.874 1.00 19.25 C ATOM 1943 OE1 GLN E 271 71.403 50.387 22.724 1.00 20.17 O ATOM 1944 NE2 GLN E 271 72.045 52.155 23.991 1.00 18.07 N ATOM 1945 N ALA E 272 71.150 52.228 18.122 1.00 13.25 N ATOM 1946 CA ALA E 272 72.266 52.287 17.185 1.00 13.98 C ATOM 1947 C ALA E 272 71.991 53.281 16.038 1.00 13.54 C ATOM 1948 O ALA E 272 72.906 54.050 15.662 1.00 14.91 O ATOM 1949 CB ALA E 272 72.582 50.883 16.628 1.00 13.76 C ATOM 1950 N ALA E 273 70.756 53.300 15.492 1.00 12.02 N ATOM 1951 CA ALA E 273 70.372 54.226 14.436 1.00 11.89 C ATOM 1952 C ALA E 273 70.603 55.691 14.837 1.00 12.97 C ATOM 1953 O ALA E 273 70.977 56.533 13.994 1.00 13.77 O ATOM 1954 CB ALA E 273 68.861 54.017 14.038 1.00 11.41 C ATOM 1955 N ALA E 274 70.367 55.994 16.115 1.00 12.51 N ATOM 1956 CA ALA E 274 70.340 57.415 16.512 1.00 13.80 C ATOM 1957 C ALA E 274 71.708 57.894 16.957 1.00 15.15 C ATOM 1958 O ALA E 274 71.825 59.007 17.439 1.00 15.24 O ATOM 1959 CB ALA E 274 69.261 57.645 17.615 1.00 13.49 C ATOM 1960 N GLN E 275 72.732 57.048 16.835 1.00 15.30 N ATOM 1961 CA GLN E 275 74.131 57.485 17.044 1.00 16.98 C ATOM 1962 C GLN E 275 74.659 58.183 15.789 1.00 16.90 C ATOM 1963 O GLN E 275 74.047 58.072 14.731 1.00 17.93 O ATOM 1964 CB GLN E 275 75.005 56.277 17.388 1.00 17.67 C ATOM 1965 CG GLN E 275 74.687 55.676 18.804 1.00 20.49 C ATOM 1966 CD AGLN E 275 74.926 56.715 19.941 0.67 21.95 C ATOM 1967 CD BGLN E 275 75.741 54.709 19.289 0.33 24.70 C ATOM 1968 OE1AGLN E 275 74.004 57.403 20.402 0.67 27.04 O ATOM 1969 OE1BGLN E 275 75.886 53.609 18.754 0.33 25.84 O ATOM 1970 NE2AGLN E 275 76.174 56.858 20.342 0.67 26.89 N ATOM 1971 NE2BGLN E 275 76.492 55.119 20.301 0.33 25.77 N ATOM 1972 N AHIS E 276 75.786 58.881 15.865 0.50 17.11 N ATOM 1973 N BHIS E 276 75.794 58.886 15.955 0.50 16.98 N ATOM 1974 CA AHIS E 276 76.315 59.438 14.627 0.50 17.26 C ATOM 1975 CA BHIS E 276 76.541 59.541 14.873 0.50 17.18 C ATOM 1976 C AHIS E 276 76.918 58.358 13.743 0.50 18.57 C ATOM 1977 C BHIS E 276 77.056 58.533 13.845 0.50 18.55 C ATOM 1978 O AHIS E 276 76.683 58.324 12.546 0.50 20.11 O ATOM 1979 O BHIS E 276 76.925 58.760 12.643 0.50 19.81 O ATOM 1980 CB AHIS E 276 77.291 60.563 14.903 0.50 16.98 C ATOM 1981 CB BHIS E 276 77.766 60.307 15.433 0.50 16.31 C ATOM 1982 CG AHIS E 276 76.599 61.844 15.206 0.50 15.46 C ATOM 1983 CG BHIS E 276 77.425 61.394 16.405 0.50 15.73 C ATOM 1984 ND1AHIS E 276 76.571 62.392 16.468 0.50 15.74 N ATOM 1985 ND1BHIS E 276 76.513 62.383 16.121 0.50 18.42 N ATOM 1986 CD2AHIS E 276 75.865 62.661 14.418 0.50 14.92 C ATOM 1987 CD2BHIS E 276 77.871 61.640 17.663 0.50 18.58 C ATOM 1988 CE1AHIS E 276 75.861 63.509 16.439 0.50 14.08 C ATOM 1989 CE1BHIS E 276 76.416 63.202 17.153 0.50 18.89 C ATOM 1990 NE2AHIS E 276 75.414 63.688 15.207 0.50 14.39 N ATOM 1991 NE2BHIS E 276 77.220 62.766 18.108 0.50 18.75 N ATOM 1992 N HIS E 277 77.661 57.459 14.340 1.00 18.98 N ATOM 1993 CA HIS E 277 78.319 56.443 13.526 1.00 21.50 C ATOM 1994 C HIS E 277 77.530 55.146 13.540 1.00 19.61 C ATOM 1995 O HIS E 277 77.094 54.684 14.586 1.00 20.27 O ATOM 1996 CB HIS E 277 79.747 56.295 14.020 1.00 24.22 C ATOM 1997 CG HIS E 277 80.523 57.565 13.814 1.00 31.31 C ATOM 1998 ND1 HIS E 277 81.108 58.263 14.852 1.00 38.57 N ATOM 1999 CD2 HIS E 277 80.678 58.336 12.706 1.00 38.02 C ATOM 2000 CE1 HIS E 277 81.651 59.373 14.379 1.00 37.98 C ATOM 2001 NE2 HIS E 277 81.387 59.452 13.085 1.00 39.91 N ATOM 2002 N HIS E 278 77.295 54.603 12.364 1.00 18.26 N ATOM 2003 CA HIS E 278 76.379 53.468 12.267 1.00 17.24 C ATOM 2004 C HIS E 278 77.087 52.173 11.895 1.00 17.27 C ATOM 2005 O HIS E 278 77.878 52.171 10.973 1.00 18.04 O ATOM 2006 CB HIS E 278 75.352 53.786 11.192 1.00 16.45 C ATOM 2007 CG HIS E 278 74.556 55.038 11.495 1.00 16.93 C ATOM 2008 ND1 HIS E 278 74.288 56.002 10.551 1.00 20.87 N ATOM 2009 CD2 HIS E 278 73.946 55.444 12.636 1.00 19.14 C ATOM 2010 CE1 HIS E 278 73.566 56.969 11.104 1.00 20.52 C ATOM 2011 NE2 HIS E 278 73.334 56.644 12.367 1.00 19.44 N ATOM 2012 N HIS E 279 76.774 51.089 12.584 1.00 16.67 N ATOM 2013 CA HIS E 279 77.137 49.754 12.082 1.00 16.43 C ATOM 2014 C HIS E 279 76.144 48.766 12.638 1.00 16.13 C ATOM 2015 O HIS E 279 75.340 49.126 13.522 1.00 14.52 O ATOM 2016 CB HIS E 279 78.558 49.359 12.553 1.00 18.11 C ATOM 2017 CG HIS E 279 78.754 49.493 14.031 1.00 23.58 C ATOM 2018 ND1 HIS E 279 79.165 50.674 14.621 1.00 30.33 N ATOM 2019 CD2 HIS E 279 78.605 48.600 15.040 1.00 30.65 C ATOM 2020 CE1 HIS E 279 79.255 50.498 15.931 1.00 32.24 C ATOM 2021 NE2 HIS E 279 78.919 49.251 16.212 1.00 31.15 N ATOM 2022 N HIS E 280 76.177 47.553 12.084 1.00 15.53 N ATOM 2023 CA HIS E 280 75.246 46.503 12.479 1.00 16.28 C ATOM 2024 C HIS E 280 75.701 45.854 13.787 1.00 17.72 C ATOM 2025 O HIS E 280 76.901 45.753 14.063 1.00 16.37 O ATOM 2026 CB HIS E 280 75.152 45.433 11.401 1.00 14.76 C ATOM 2027 CG HIS E 280 74.593 45.922 10.102 1.00 17.07 C ATOM 2028 ND1 HIS E 280 73.249 46.186 9.939 1.00 15.10 N ATOM 2029 CD2 HIS E 280 75.190 46.242 8.925 1.00 16.46 C ATOM 2030 CE1 HIS E 280 73.031 46.630 8.709 1.00 12.75 C ATOM 2031 NE2 HIS E 280 74.184 46.606 8.051 1.00 14.54 N ATOM 2032 N HIS E 281 74.741 45.425 14.605 1.00 20.48 N ATOM 2033 CA HIS E 281 75.113 44.625 15.784 1.00 23.98 C ATOM 2034 C HIS E 281 74.610 43.222 15.638 1.00 24.97 C ATOM 2035 O HIS E 281 74.743 42.498 16.651 1.00 29.30 O ATOM 2036 CB HIS E 281 74.578 45.235 17.086 1.00 24.45 C ATOM 2037 CG HIS E 281 75.058 46.615 17.348 1.00 26.88 C ATOM 2038 ND1 HIS E 281 75.878 46.918 18.409 1.00 33.10 N ATOM 2039 CD2 HIS E 281 74.839 47.781 16.696 1.00 30.40 C ATOM 2040 CE1 HIS E 281 76.146 48.210 18.401 1.00 35.18 C ATOM 2041 NE2 HIS E 281 75.545 48.752 17.357 1.00 32.59 N ATOM 2042 OXT HIS E 281 74.103 42.781 14.597 1.00 24.40 O TER 2043 HIS E 281 ATOM 2044 N MET I 20 45.635 20.612 7.598 1.00 48.62 N ATOM 2045 CA MET I 20 44.712 21.787 7.727 1.00 47.50 C ATOM 2046 C MET I 20 44.770 22.744 6.511 1.00 45.17 C ATOM 2047 O MET I 20 45.819 23.320 6.200 1.00 45.48 O ATOM 2048 CB MET I 20 44.987 22.538 9.040 1.00 48.66 C ATOM 2049 CG MET I 20 43.910 23.560 9.422 1.00 50.95 C ATOM 2050 SD AMET I 20 44.302 24.416 10.960 0.50 54.11 S ATOM 2051 SD BMET I 20 42.347 22.803 9.960 0.50 53.24 S ATOM 2052 CE AMET I 20 45.990 25.069 10.598 0.50 53.94 C ATOM 2053 CE BMET I 20 41.702 22.176 8.428 0.50 52.37 C ATOM 2054 N LYS I 21 43.639 22.885 5.824 1.00 42.29 N ATOM 2055 CA LYS I 21 43.568 23.707 4.612 1.00 38.67 C ATOM 2056 C LYS I 21 43.489 25.183 4.986 1.00 35.34 C ATOM 2057 O LYS I 21 42.602 25.564 5.754 1.00 34.88 O ATOM 2058 CB LYS I 21 42.334 23.330 3.776 1.00 39.61 C ATOM 2059 CG LYS I 21 42.387 23.885 2.356 1.00 38.57 C ATOM 2060 CD LYS I 21 41.458 23.157 1.438 1.00 38.18 C ATOM 2061 CE LYS I 21 41.630 23.652 0.011 1.00 38.78 C ATOM 2062 NZ LYS I 21 40.849 22.795 -0.922 1.00 43.52 N ATOM 2063 N THR I 22 44.389 26.000 4.431 1.00 31.76 N ATOM 2064 CA THR I 22 44.362 27.453 4.668 1.00 29.23 C ATOM 2065 C THR I 22 44.367 28.328 3.405 1.00 26.45 C ATOM 2066 O THR I 22 44.437 29.552 3.501 1.00 24.80 O ATOM 2067 CB THR I 22 45.550 27.863 5.556 1.00 29.73 C ATOM 2068 OG1 THR I 22 46.763 27.582 4.857 1.00 30.44 O ATOM 2069 CG2 THR I 22 45.620 26.976 6.805 1.00 31.78 C ATOM 2070 N GLU I 23 44.337 27.711 2.218 1.00 24.04 N ATOM 2071 CA GLU I 23 44.260 28.459 0.961 1.00 22.81 C ATOM 2072 C GLU I 23 43.320 27.687 0.031 1.00 21.14 C ATOM 2073 O GLU I 23 43.313 26.433 0.076 1.00 20.01 O ATOM 2074 CB GLU I 23 45.629 28.568 0.276 1.00 25.27 C ATOM 2075 CG GLU I 23 46.769 28.937 1.228 1.00 33.55 C ATOM 2076 CD GLU I 23 47.773 29.923 0.634 1.00 43.48 C ATOM 2077 OE1 GLU I 23 48.269 30.794 1.407 1.00 46.02 O ATOM 2078 OE2 GLU I 23 48.091 29.809 -0.584 1.00 46.69 O ATOM 2079 N TRP I 24 42.590 28.410 -0.816 1.00 17.93 N ATOM 2080 CA TRP I 24 41.598 27.758 -1.696 1.00 18.82 C ATOM 2081 C TRP I 24 41.794 28.207 -3.141 1.00 18.47 C ATOM 2082 O TRP I 24 40.928 28.875 -3.736 1.00 18.29 O ATOM 2083 CB TRP I 24 40.160 28.067 -1.231 1.00 18.19 C ATOM 2084 CG TRP I 24 39.801 27.430 0.093 1.00 18.31 C ATOM 2085 CD1 TRP I 24 39.091 26.269 0.279 1.00 19.69 C ATOM 2086 CD2 TRP I 24 40.086 27.934 1.410 1.00 17.19 C ATOM 2087 NE1 TRP I 24 38.940 26.008 1.628 1.00 19.52 N ATOM 2088 CE2 TRP I 24 39.551 27.005 2.347 1.00 19.24 C ATOM 2089 CE3 TRP I 24 40.758 29.076 1.906 1.00 17.45 C ATOM 2090 CZ2 TRP I 24 39.680 27.163 3.731 1.00 20.86 C ATOM 2091 CZ3 TRP I 24 40.877 29.245 3.306 1.00 19.70 C ATOM 2092 CH2 TRP I 24 40.336 28.284 4.198 1.00 22.37 C ATOM 2093 N PRO I 25 42.905 27.830 -3.770 1.00 19.09 N ATOM 2094 CA PRO I 25 43.121 28.313 -5.143 1.00 20.09 C ATOM 2095 C PRO I 25 42.047 27.805 -6.142 1.00 19.90 C ATOM 2096 O PRO I 25 41.808 28.494 -7.143 1.00 20.34 O ATOM 2097 CB PRO I 25 44.512 27.772 -5.502 1.00 21.03 C ATOM 2098 CG PRO I 25 44.687 26.565 -4.623 1.00 21.28 C ATOM 2099 CD PRO I 25 44.008 26.961 -3.275 1.00 20.12 C ATOM 2100 N GLU I 26 41.376 26.703 -5.829 1.00 20.64 N ATOM 2101 CA GLU I 26 40.361 26.132 -6.714 1.00 22.05 C ATOM 2102 C GLU I 26 39.071 26.990 -6.755 1.00 21.67 C ATOM 2103 O GLU I 26 38.200 26.785 -7.631 1.00 21.49 O ATOM 2104 CB GLU I 26 40.070 24.683 -6.286 1.00 22.95 C ATOM 2105 CG GLU I 26 39.338 24.535 -4.957 1.00 25.80 C ATOM 2106 CD GLU I 26 40.194 24.593 -3.663 1.00 29.66 C ATOM 2107 OE1 GLU I 26 41.411 24.863 -3.669 1.00 28.91 O ATOM 2108 OE2 GLU I 26 39.603 24.322 -2.606 1.00 33.18 O ATOM 2109 N LEU I 27 38.941 27.940 -5.815 1.00 18.97 N ATOM 2110 CA LEU I 27 37.769 28.841 -5.801 1.00 17.86 C ATOM 2111 C LEU I 27 37.902 30.088 -6.695 1.00 18.17 C ATOM 2112 O LEU I 27 36.919 30.792 -6.918 1.00 17.26 O ATOM 2113 CB LEU I 27 37.460 29.256 -4.372 1.00 17.78 C ATOM 2114 CG LEU I 27 36.930 28.118 -3.484 1.00 19.71 C ATOM 2115 CD1 LEU I 27 36.693 28.683 -2.056 1.00 18.89 C ATOM 2116 CD2 LEU I 27 35.606 27.499 -4.047 1.00 22.83 C ATOM 2117 N VAL I 28 39.096 30.384 -7.229 1.00 17.67 N ATOM 2118 CA VAL I 28 39.223 31.540 -8.120 1.00 17.91 C ATOM 2119 C VAL I 28 38.341 31.345 -9.367 1.00 18.25 C ATOM 2120 O VAL I 28 38.340 30.258 -9.934 1.00 19.77 O ATOM 2121 CB VAL I 28 40.679 31.760 -8.554 1.00 18.24 C ATOM 2122 CG1 VAL I 28 40.738 32.905 -9.553 1.00 19.62 C ATOM 2123 CG2 VAL I 28 41.515 32.065 -7.309 1.00 19.85 C ATOM 2124 N GLY I 29 37.564 32.360 -9.734 1.00 18.83 N ATOM 2125 CA GLY I 29 36.651 32.243 -10.877 1.00 19.89 C ATOM 2126 C GLY I 29 35.267 31.687 -10.517 1.00 20.04 C ATOM 2127 O GLY I 29 34.351 31.761 -11.358 1.00 20.11 O ATOM 2128 N LYS I 30 35.094 31.161 -9.301 1.00 18.91 N ATOM 2129 CA LYS I 30 33.739 30.724 -8.828 1.00 18.06 C ATOM 2130 C LYS I 30 32.953 31.886 -8.284 1.00 17.46 C ATOM 2131 O LYS I 30 33.526 32.922 -7.951 1.00 16.28 O ATOM 2132 CB LYS I 30 33.836 29.657 -7.748 1.00 18.01 C ATOM 2133 CG LYS I 30 34.638 28.400 -8.193 1.00 24.10 C ATOM 2134 CD LYS I 30 34.005 27.736 -9.361 1.00 32.77 C ATOM 2135 CE LYS I 30 34.705 26.396 -9.699 1.00 38.39 C ATOM 2136 NZ LYS I 30 34.083 25.304 -8.895 1.00 41.41 N ATOM 2137 N SER I 31 31.641 31.713 -8.146 1.00 15.96 N ATOM 2138 CA SER I 31 30.840 32.724 -7.440 1.00 15.18 C ATOM 2139 C SER I 31 31.229 32.898 -5.983 1.00 16.11 C ATOM 2140 O SER I 31 31.678 31.957 -5.287 1.00 14.81 O ATOM 2141 CB SER I 31 29.346 32.363 -7.468 1.00 14.84 C ATOM 2142 OG SER I 31 29.137 31.148 -6.741 1.00 15.16 O ATOM 2143 N VAL I 32 31.005 34.121 -5.500 1.00 15.15 N ATOM 2144 CA VAL I 32 31.209 34.367 -4.072 1.00 15.87 C ATOM 2145 C VAL I 32 30.337 33.419 -3.189 1.00 16.16 C ATOM 2146 O VAL I 32 30.754 33.008 -2.107 1.00 15.35 O ATOM 2147 CB VAL I 32 30.986 35.887 -3.743 1.00 15.53 C ATOM 2148 CG1 VAL I 32 29.498 36.265 -3.808 1.00 15.59 C ATOM 2149 CG2 VAL I 32 31.545 36.194 -2.343 1.00 15.82 C ATOM 2150 N GLU I 33 29.138 33.049 -3.671 1.00 14.25 N ATOM 2151 CA GLU I 33 28.259 32.157 -2.893 1.00 14.47 C ATOM 2152 C GLU I 33 28.877 30.767 -2.740 1.00 14.40 C ATOM 2153 O GLU I 33 28.870 30.207 -1.647 1.00 14.22 O ATOM 2154 CB GLU I 33 26.896 31.991 -3.592 1.00 14.16 C ATOM 2155 CG GLU I 33 26.031 33.277 -3.570 1.00 16.03 C ATOM 2156 CD GLU I 33 26.331 34.306 -4.679 1.00 17.81 C ATOM 2157 OE1 GLU I 33 27.218 34.105 -5.546 1.00 14.87 O ATOM 2158 OE2 GLU I 33 25.637 35.366 -4.708 1.00 18.00 O ATOM 2159 N GLU I 34 29.387 30.226 -3.838 1.00 14.55 N ATOM 2160 CA GLU I 34 29.984 28.880 -3.751 1.00 15.59 C ATOM 2161 C GLU I 34 31.233 28.956 -2.889 1.00 15.55 C ATOM 2162 O GLU I 34 31.483 28.068 -2.060 1.00 14.48 O ATOM 2163 CB GLU I 34 30.355 28.356 -5.139 1.00 16.64 C ATOM 2164 CG GLU I 34 30.883 26.921 -5.037 1.00 17.68 C ATOM 2165 CD GLU I 34 31.131 26.265 -6.384 1.00 26.14 C ATOM 2166 OE1 GLU I 34 30.579 26.718 -7.431 1.00 24.41 O ATOM 2167 OE2 GLU I 34 31.876 25.248 -6.369 1.00 28.76 O ATOM 2168 N ALA I 35 32.023 30.027 -3.067 1.00 15.38 N ATOM 2169 CA ALA I 35 33.213 30.171 -2.187 1.00 15.67 C ATOM 2170 C ALA I 35 32.898 30.160 -0.687 1.00 15.21 C ATOM 2171 O ALA I 35 33.578 29.478 0.096 1.00 15.50 O ATOM 2172 CB ALA I 35 34.036 31.451 -2.565 1.00 15.73 C ATOM 2173 N LYS I 36 31.903 30.937 -0.265 1.00 15.54 N ATOM 2174 CA LYS I 36 31.507 30.933 1.137 1.00 16.25 C ATOM 2175 C LYS I 36 31.093 29.539 1.589 1.00 16.51 C ATOM 2176 O LYS I 36 31.443 29.104 2.687 1.00 15.17 O ATOM 2177 CB LYS I 36 30.330 31.870 1.400 1.00 16.60 C ATOM 2178 CG LYS I 36 30.704 33.362 1.256 1.00 22.69 C ATOM 2179 CD LYS I 36 29.423 34.220 1.529 1.00 28.15 C ATOM 2180 CE LYS I 36 29.717 35.716 1.511 1.00 35.31 C ATOM 2181 NZ LYS I 36 28.445 36.579 1.644 1.00 37.99 N ATOM 2182 N LYS I 37 30.317 28.848 0.761 1.00 15.60 N ATOM 2183 CA LYS I 37 29.834 27.532 1.186 1.00 15.84 C ATOM 2184 C LYS I 37 31.024 26.589 1.406 1.00 16.34 C ATOM 2185 O LYS I 37 31.091 25.886 2.426 1.00 17.19 O ATOM 2186 CB LYS I 37 28.946 26.962 0.108 1.00 16.88 C ATOM 2187 CG LYS I 37 28.439 25.585 0.510 1.00 18.73 C ATOM 2188 CD LYS I 37 27.551 25.003 -0.592 1.00 24.22 C ATOM 2189 CE LYS I 37 27.077 23.633 -0.126 1.00 29.43 C ATOM 2190 NZ LYS I 37 25.795 23.202 -0.845 1.00 34.14 N ATOM 2191 N VAL I 38 31.945 26.560 0.440 1.00 15.98 N ATOM 2192 CA VAL I 38 33.118 25.688 0.525 1.00 16.55 C ATOM 2193 C VAL I 38 33.996 26.040 1.710 1.00 16.26 C ATOM 2194 O VAL I 38 34.413 25.161 2.489 1.00 16.70 O ATOM 2195 CB VAL I 38 33.904 25.727 -0.816 1.00 17.40 C ATOM 2196 CG1 VAL I 38 35.285 24.984 -0.701 1.00 19.13 C ATOM 2197 CG2 VAL I 38 33.041 25.041 -1.946 1.00 16.71 C ATOM 2198 N ILE I 39 34.270 27.324 1.886 1.00 16.15 N ATOM 2199 CA ILE I 39 35.144 27.703 3.006 1.00 16.15 C ATOM 2200 C ILE I 39 34.507 27.313 4.363 1.00 16.03 C ATOM 2201 O ILE I 39 35.207 26.837 5.280 1.00 16.35 O ATOM 2202 CB ILE I 39 35.474 29.224 2.925 1.00 17.46 C ATOM 2203 CG1 ILE I 39 36.522 29.457 1.807 1.00 20.64 C ATOM 2204 CG2 ILE I 39 36.041 29.682 4.297 1.00 18.02 C ATOM 2205 CD1 ILE I 39 36.340 30.841 1.110 1.00 23.66 C ATOM 2206 N LEU I 40 33.192 27.486 4.488 1.00 15.51 N ATOM 2207 CA LEU I 40 32.515 27.158 5.751 1.00 15.86 C ATOM 2208 C LEU I 40 32.447 25.630 5.978 1.00 15.54 C ATOM 2209 O LEU I 40 32.284 25.178 7.119 1.00 16.53 O ATOM 2210 CB LEU I 40 31.139 27.815 5.855 1.00 15.84 C ATOM 2211 CG LEU I 40 31.195 29.363 6.012 1.00 16.83 C ATOM 2212 CD1 LEU I 40 29.819 29.960 5.871 1.00 19.51 C ATOM 2213 CD2 LEU I 40 31.803 29.754 7.392 1.00 16.04 C ATOM 2214 N GLN I 41 32.582 24.827 4.912 1.00 15.73 N ATOM 2215 CA GLN I 41 32.668 23.373 5.122 1.00 15.23 C ATOM 2216 C GLN I 41 34.032 23.038 5.693 1.00 16.92 C ATOM 2217 O GLN I 41 34.162 22.168 6.582 1.00 16.85 O ATOM 2218 CB GLN I 41 32.495 22.615 3.814 1.00 16.21 C ATOM 2219 CG GLN I 41 31.104 22.794 3.249 1.00 16.51 C ATOM 2220 CD GLN I 41 30.831 21.887 2.048 1.00 22.02 C ATOM 2221 OE1 GLN I 41 29.659 21.537 1.782 1.00 21.06 O ATOM 2222 NE2 GLN I 41 31.898 21.547 1.278 1.00 21.37 N ATOM 2223 N ASP I 42 35.059 23.721 5.193 1.00 16.22 N ATOM 2224 CA ASP I 42 36.416 23.401 5.617 1.00 17.56 C ATOM 2225 C ASP I 42 36.745 24.027 6.939 1.00 18.43 C ATOM 2226 O ASP I 42 37.560 23.459 7.723 1.00 19.69 O ATOM 2227 CB ASP I 42 37.445 23.870 4.568 1.00 17.44 C ATOM 2228 CG ASP I 42 37.394 23.054 3.293 1.00 21.55 C ATOM 2229 OD1 ASP I 42 36.879 21.900 3.343 1.00 24.39 O ATOM 2230 OD2 ASP I 42 37.800 23.512 2.196 1.00 20.46 O ATOM 2231 N LYS I 43 36.152 25.192 7.199 1.00 16.61 N ATOM 2232 CA LYS I 43 36.498 26.019 8.376 1.00 18.56 C ATOM 2233 C LYS I 43 35.213 26.658 8.899 1.00 18.48 C ATOM 2234 O LYS I 43 34.917 27.850 8.623 1.00 18.70 O ATOM 2235 CB LYS I 43 37.519 27.100 7.921 1.00 18.80 C ATOM 2236 CG LYS I 43 38.128 27.974 9.034 1.00 21.36 C ATOM 2237 CD LYS I 43 39.118 29.038 8.393 1.00 22.47 C ATOM 2238 CE LYS I 43 39.504 30.166 9.391 1.00 26.23 C ATOM 2239 NZ LYS I 43 40.455 29.580 10.414 1.00 27.19 N ATOM 2240 N PRO I 44 34.356 25.858 9.548 1.00 18.67 N ATOM 2241 CA PRO I 44 33.033 26.337 9.945 1.00 18.43 C ATOM 2242 C PRO I 44 33.000 27.571 10.813 1.00 19.18 C ATOM 2243 O PRO I 44 31.950 28.252 10.804 1.00 19.06 O ATOM 2244 CB PRO I 44 32.451 25.172 10.776 1.00 18.94 C ATOM 2245 CG PRO I 44 33.184 23.948 10.284 1.00 18.20 C ATOM 2246 CD PRO I 44 34.552 24.423 9.830 1.00 18.18 C ATOM 2247 N ALA I 45 34.054 27.801 11.591 1.00 20.10 N ATOM 2248 CA ALA I 45 34.142 28.968 12.476 1.00 21.34 C ATOM 2249 C ALA I 45 34.755 30.204 11.758 1.00 22.12 C ATOM 2250 O ALA I 45 34.924 31.251 12.387 1.00 22.49 O ATOM 2251 CB ALA I 45 34.951 28.616 13.791 1.00 21.82 C ATOM 2252 N ALA I 46 35.025 30.106 10.447 1.00 21.43 N ATOM 2253 CA ALA I 46 35.598 31.245 9.683 1.00 21.22 C ATOM 2254 C ALA I 46 34.769 32.524 9.781 1.00 22.07 C ATOM 2255 O ALA I 46 33.536 32.493 9.699 1.00 21.24 O ATOM 2256 CB ALA I 46 35.804 30.860 8.210 1.00 20.32 C ATOM 2257 N GLN I 47 35.463 33.659 9.939 1.00 20.95 N ATOM 2258 CA GLN I 47 34.824 34.959 9.899 1.00 21.35 C ATOM 2259 C GLN I 47 35.070 35.485 8.509 1.00 20.89 C ATOM 2260 O GLN I 47 36.211 35.911 8.158 1.00 21.09 O ATOM 2261 CB GLN I 47 35.465 35.876 10.951 1.00 21.87 C ATOM 2262 CG AGLN I 47 35.288 35.352 12.383 0.67 23.96 C ATOM 2263 CG BGLN I 47 34.998 35.656 12.371 0.33 22.47 C ATOM 2264 CD AGLN I 47 33.819 35.149 12.735 0.67 29.29 C ATOM 2265 CD BGLN I 47 35.436 36.789 13.270 0.33 24.34 C ATOM 2266 OE1AGLN I 47 33.050 36.118 12.829 0.67 31.72 O ATOM 2267 OE1BGLN I 47 34.681 37.743 13.487 0.33 25.79 O ATOM 2268 NE2AGLN I 47 33.422 33.890 12.916 0.67 29.77 N ATOM 2269 NE2BGLN I 47 36.673 36.715 13.760 0.33 22.94 N ATOM 2270 N ILE I 48 34.030 35.435 7.682 1.00 19.93 N ATOM 2271 CA ILE I 48 34.213 35.733 6.275 1.00 19.95 C ATOM 2272 C ILE I 48 33.855 37.166 5.988 1.00 21.26 C ATOM 2273 O ILE I 48 32.814 37.624 6.460 1.00 21.77 O ATOM 2274 CB ILE I 48 33.352 34.784 5.387 1.00 20.19 C ATOM 2275 CG1 ILE I 48 33.954 33.372 5.479 1.00 20.58 C ATOM 2276 CG2 ILE I 48 33.325 35.289 3.902 1.00 19.99 C ATOM 2277 CD1 ILE I 48 33.193 32.283 4.666 1.00 21.62 C ATOM 2278 N ILE I 49 34.696 37.865 5.212 1.00 20.34 N ATOM 2279 CA ILE I 49 34.346 39.227 4.761 1.00 21.52 C ATOM 2280 C ILE I 49 34.536 39.329 3.254 1.00 20.74 C ATOM 2281 O ILE I 49 35.508 38.797 2.736 1.00 21.92 O ATOM 2282 CB ILE I 49 35.194 40.336 5.513 1.00 21.89 C ATOM 2283 CG1 ILE I 49 34.710 41.720 5.067 1.00 25.91 C ATOM 2284 CG2 ILE I 49 36.703 40.124 5.300 1.00 22.26 C ATOM 2285 CD1 ILE I 49 35.193 42.900 5.970 1.00 32.35 C ATOM 2286 N VAL I 50 33.620 39.981 2.559 1.00 19.73 N ATOM 2287 CA VAL I 50 33.727 40.111 1.124 1.00 19.60 C ATOM 2288 C VAL I 50 34.113 41.549 0.793 1.00 21.56 C ATOM 2289 O VAL I 50 33.478 42.491 1.254 1.00 20.40 O ATOM 2290 CB VAL I 50 32.393 39.750 0.434 1.00 19.53 C ATOM 2291 CG1 VAL I 50 32.480 39.924 -1.062 1.00 19.71 C ATOM 2292 CG2 VAL I 50 32.011 38.266 0.802 1.00 19.79 C ATOM 2293 N LEU I 51 35.174 41.695 0.012 1.00 21.80 N ATOM 2294 CA LEU I 51 35.654 43.027 -0.365 1.00 22.70 C ATOM 2295 C LEU I 51 35.909 43.090 -1.870 1.00 22.39 C ATOM 2296 O LEU I 51 36.144 42.064 -2.529 1.00 19.76 O ATOM 2297 CB LEU I 51 36.966 43.303 0.390 1.00 23.21 C ATOM 2298 CG LEU I 51 36.902 43.302 1.944 1.00 25.20 C ATOM 2299 CD1 LEU I 51 38.344 43.371 2.537 1.00 27.52 C ATOM 2300 CD2 LEU I 51 36.012 44.435 2.501 1.00 27.59 C ATOM 2301 N PRO I 52 35.925 44.290 -2.453 1.00 22.90 N ATOM 2302 CA PRO I 52 36.271 44.388 -3.873 1.00 21.92 C ATOM 2303 C PRO I 52 37.751 44.119 -4.127 1.00 21.62 C ATOM 2304 O PRO I 52 38.602 44.647 -3.400 1.00 21.28 O ATOM 2305 CB PRO I 52 35.931 45.850 -4.244 1.00 23.57 C ATOM 2306 CG PRO I 52 35.264 46.430 -3.042 1.00 23.48 C ATOM 2307 CD PRO I 52 35.654 45.596 -1.823 1.00 23.90 C ATOM 2308 N VAL I 53 38.058 43.356 -5.171 1.00 21.26 N ATOM 2309 CA VAL I 53 39.436 43.164 -5.621 1.00 21.96 C ATOM 2310 C VAL I 53 39.977 44.532 -6.092 1.00 22.36 C ATOM 2311 O VAL I 53 39.197 45.395 -6.496 1.00 22.61 O ATOM 2312 CB VAL I 53 39.495 42.135 -6.772 1.00 22.03 C ATOM 2313 CG1 VAL I 53 38.946 42.714 -8.102 1.00 21.61 C ATOM 2314 CG2 VAL I 53 40.930 41.501 -6.922 1.00 24.37 C ATOM 2315 N GLY I 54 41.295 44.732 -6.025 1.00 24.17 N ATOM 2316 CA GLY I 54 41.845 46.019 -6.440 1.00 24.42 C ATOM 2317 C GLY I 54 41.632 47.150 -5.435 1.00 25.68 C ATOM 2318 O GLY I 54 41.679 48.347 -5.799 1.00 26.87 O ATOM 2319 N THR I 55 41.365 46.806 -4.178 1.00 24.01 N ATOM 2320 CA THR I 55 41.392 47.823 -3.122 1.00 22.68 C ATOM 2321 C THR I 55 42.630 47.612 -2.262 1.00 21.04 C ATOM 2322 O THR I 55 43.357 46.609 -2.375 1.00 21.17 O ATOM 2323 CB THR I 55 40.143 47.775 -2.206 1.00 22.82 C ATOM 2324 OG1 THR I 55 39.955 46.439 -1.728 1.00 23.94 O ATOM 2325 CG2 THR I 55 38.850 48.117 -2.991 1.00 25.19 C ATOM 2326 N ILE I 56 42.861 48.581 -1.388 1.00 18.89 N ATOM 2327 CA ILE I 56 43.959 48.495 -0.445 1.00 18.59 C ATOM 2328 C ILE I 56 43.335 48.131 0.912 1.00 17.51 C ATOM 2329 O ILE I 56 42.275 48.657 1.253 1.00 18.74 O ATOM 2330 CB ILE I 56 44.655 49.893 -0.376 1.00 18.39 C ATOM 2331 CG1 ILE I 56 45.368 50.184 -1.713 1.00 21.30 C ATOM 2332 CG2 ILE I 56 45.565 49.952 0.905 1.00 18.90 C ATOM 2333 CD1AILE I 56 46.288 51.392 -1.755 0.33 16.61 C ATOM 2334 CD1BILE I 56 46.722 49.551 -1.897 0.67 19.73 C ATOM 2335 N VAL I 57 43.978 47.235 1.674 1.00 16.10 N ATOM 2336 CA VAL I 57 43.389 46.761 2.917 1.00 16.14 C ATOM 2337 C VAL I 57 44.393 46.754 4.063 1.00 16.07 C ATOM 2338 O VAL I 57 45.612 46.778 3.824 1.00 16.48 O ATOM 2339 CB VAL I 57 42.807 45.307 2.767 1.00 17.48 C ATOM 2340 CG1 VAL I 57 41.682 45.267 1.638 1.00 18.10 C ATOM 2341 CG2 VAL I 57 43.928 44.243 2.454 1.00 16.27 C ATOM 2342 N THR I 58 43.874 46.646 5.297 1.00 15.28 N ATOM 2343 CA THR I 58 44.730 46.544 6.494 1.00 14.40 C ATOM 2344 C THR I 58 45.634 45.336 6.410 1.00 17.06 C ATOM 2345 O THR I 58 45.237 44.294 5.851 1.00 17.00 O ATOM 2346 CB THR I 58 43.857 46.404 7.763 1.00 15.87 C ATOM 2347 OG1 THR I 58 42.947 45.287 7.624 1.00 16.78 O ATOM 2348 CG2 THR I 58 42.953 47.662 7.967 1.00 14.96 C ATOM 2349 N MET I 59 46.831 45.436 7.011 1.00 14.39 N ATOM 2350 CA MET I 59 47.792 44.344 6.955 1.00 15.85 C ATOM 2351 C MET I 59 47.947 43.626 8.316 1.00 15.65 C ATOM 2352 O MET I 59 49.049 43.144 8.673 1.00 16.43 O ATOM 2353 CB MET I 59 49.148 44.861 6.393 1.00 15.61 C ATOM 2354 CG MET I 59 49.060 45.167 4.897 1.00 17.50 C ATOM 2355 SD MET I 59 49.010 43.590 3.961 1.00 20.11 S ATOM 2356 CE MET I 59 47.528 43.895 2.952 1.00 19.39 C ATOM 2357 N GLU I 60 46.852 43.519 9.083 1.00 16.56 N ATOM 2358 CA GLU I 60 46.908 42.621 10.234 1.00 15.54 C ATOM 2359 C GLU I 60 46.628 41.150 9.830 1.00 16.42 C ATOM 2360 O GLU I 60 46.052 40.862 8.760 1.00 16.63 O ATOM 2361 CB GLU I 60 46.015 43.112 11.382 1.00 16.52 C ATOM 2362 CG GLU I 60 44.543 42.649 11.421 1.00 18.34 C ATOM 2363 CD GLU I 60 43.653 43.221 10.316 1.00 18.43 C ATOM 2364 OE1 GLU I 60 44.126 43.502 9.179 1.00 19.37 O ATOM 2365 OE2 GLU I 60 42.426 43.381 10.552 1.00 20.52 O ATOM 2366 N TYR I 61 47.032 40.239 10.700 1.00 16.09 N ATOM 2367 CA TYR I 61 46.884 38.798 10.430 1.00 18.19 C ATOM 2368 C TYR I 61 45.948 38.198 11.482 1.00 18.88 C ATOM 2369 O TYR I 61 46.221 38.245 12.693 1.00 18.36 O ATOM 2370 CB TYR I 61 48.254 38.126 10.413 1.00 18.62 C ATOM 2371 CG TYR I 61 48.197 36.679 9.954 1.00 21.28 C ATOM 2372 CD1 TYR I 61 48.108 36.383 8.591 1.00 23.23 C ATOM 2373 CD2 TYR I 61 48.218 35.631 10.871 1.00 25.04 C ATOM 2374 CE1 TYR I 61 48.054 35.054 8.137 1.00 25.11 C ATOM 2375 CE2 TYR I 61 48.171 34.261 10.413 1.00 27.17 C ATOM 2376 CZ TYR I 61 48.084 34.018 9.045 1.00 28.75 C ATOM 2377 OH TYR I 61 48.023 32.722 8.510 1.00 32.96 O ATOM 2378 N ARG I 62 44.810 37.669 11.002 1.00 18.45 N ATOM 2379 CA ARG I 62 43.777 37.111 11.861 1.00 19.67 C ATOM 2380 C ARG I 62 43.561 35.672 11.389 1.00 20.32 C ATOM 2381 O ARG I 62 43.041 35.455 10.279 1.00 19.39 O ATOM 2382 CB ARG I 62 42.474 37.894 11.658 1.00 19.12 C ATOM 2383 CG AARG I 62 42.396 39.206 12.393 0.33 20.76 C ATOM 2384 CG BARG I 62 42.529 39.356 12.122 0.67 21.86 C ATOM 2385 CD AARG I 62 41.639 39.124 13.698 0.33 22.13 C ATOM 2386 CD BARG I 62 41.214 40.113 11.957 0.67 24.58 C ATOM 2387 NE AARG I 62 40.362 38.419 13.595 0.33 24.00 N ATOM 2388 NE BARG I 62 41.273 41.498 12.441 0.67 29.72 N ATOM 2389 CZ AARG I 62 39.217 38.993 13.277 0.33 25.45 C ATOM 2390 CZ BARG I 62 40.596 41.932 13.494 0.67 31.74 C ATOM 2391 NH1AARG I 62 39.167 40.297 13.007 0.33 26.81 N ATOM 2392 NH1BARG I 62 39.844 41.074 14.180 0.67 32.03 N ATOM 2393 NH2AARG I 62 38.116 38.268 13.229 0.33 24.52 N ATOM 2394 NH2BARG I 62 40.685 43.199 13.883 0.67 31.43 N ATOM 2395 N ILE I 63 43.923 34.715 12.232 1.00 21.33 N ATOM 2396 CA ILE I 63 43.836 33.297 11.884 1.00 23.86 C ATOM 2397 C ILE I 63 42.368 32.852 11.651 1.00 23.39 C ATOM 2398 O ILE I 63 42.110 31.841 11.000 1.00 24.57 O ATOM 2399 CB ILE I 63 44.564 32.465 13.036 1.00 25.06 C ATOM 2400 CG1 ILE I 63 44.988 31.067 12.555 1.00 30.74 C ATOM 2401 CG2 ILE I 63 43.763 32.446 14.300 1.00 27.38 C ATOM 2402 CD1AILE I 63 46.042 30.424 13.453 0.67 29.22 C ATOM 2403 CD1BILE I 63 46.349 31.069 11.865 0.33 29.87 C ATOM 2404 N ASP I 64 41.417 33.612 12.174 1.00 22.42 N ATOM 2405 CA ASP I 64 40.020 33.231 12.113 1.00 23.25 C ATOM 2406 C ASP I 64 39.329 33.785 10.864 1.00 22.29 C ATOM 2407 O ASP I 64 38.198 33.412 10.567 1.00 23.86 O ATOM 2408 CB ASP I 64 39.281 33.727 13.355 1.00 23.59 C ATOM 2409 CG AASP I 64 39.532 35.205 13.645 0.33 22.13 C ATOM 2410 CG BASP I 64 39.824 33.145 14.626 0.67 27.42 C ATOM 2411 OD1AASP I 64 40.704 35.651 13.867 0.33 18.11 O ATOM 2412 OD1BASP I 64 40.017 31.910 14.627 0.67 33.31 O ATOM 2413 OD2AASP I 64 38.568 35.977 13.695 0.33 22.72 O ATOM 2414 OD2BASP I 64 40.100 33.808 15.664 0.67 28.41 O ATOM 2415 N ARG I 65 40.007 34.678 10.148 1.00 19.71 N ATOM 2416 CA ARG I 65 39.381 35.422 9.047 1.00 18.37 C ATOM 2417 C ARG I 65 39.699 34.792 7.707 1.00 18.83 C ATOM 2418 O ARG I 65 40.823 34.305 7.493 1.00 18.60 O ATOM 2419 CB ARG I 65 39.948 36.868 8.996 1.00 18.07 C ATOM 2420 CG ARG I 65 39.315 37.724 7.880 1.00 18.15 C ATOM 2421 CD ARG I 65 39.734 39.217 8.023 1.00 20.07 C ATOM 2422 NE ARG I 65 41.216 39.332 8.063 1.00 17.18 N ATOM 2423 CZ ARG I 65 41.833 40.480 8.405 1.00 21.74 C ATOM 2424 NH1 ARG I 65 41.087 41.543 8.705 1.00 19.48 N ATOM 2425 NH2 ARG I 65 43.171 40.544 8.457 1.00 18.35 N ATOM 2426 N VAL I 66 38.702 34.810 6.804 1.00 18.23 N ATOM 2427 CA VAL I 66 38.972 34.578 5.388 1.00 17.25 C ATOM 2428 C VAL I 66 38.343 35.706 4.591 1.00 18.40 C ATOM 2429 O VAL I 66 37.100 35.843 4.531 1.00 18.38 O ATOM 2430 CB VAL I 66 38.450 33.159 4.899 1.00 15.96 C ATOM 2431 CG1 VAL I 66 38.748 32.997 3.408 1.00 16.43 C ATOM 2432 CG2 VAL I 66 39.091 32.027 5.723 1.00 16.28 C ATOM 2433 N ALA I 67 39.185 36.555 3.999 1.00 17.30 N ATOM 2434 CA ALA I 67 38.662 37.606 3.132 1.00 17.37 C ATOM 2435 C ALA I 67 38.420 37.041 1.722 1.00 17.75 C ATOM 2436 O ALA I 67 39.265 36.321 1.168 1.00 18.04 O ATOM 2437 CB ALA I 67 39.632 38.775 3.071 1.00 18.60 C ATOM 2438 N LEU I 68 37.284 37.402 1.114 1.00 16.86 N ATOM 2439 CA LEU I 68 37.021 36.986 -0.255 1.00 16.39 C ATOM 2440 C LEU I 68 37.002 38.240 -1.129 1.00 16.95 C ATOM 2441 O LEU I 68 36.173 39.123 -0.917 1.00 18.19 O ATOM 2442 CB LEU I 68 35.629 36.294 -0.350 1.00 15.40 C ATOM 2443 CG LEU I 68 35.462 34.994 0.459 1.00 18.13 C ATOM 2444 CD1 LEU I 68 34.027 34.447 0.288 1.00 17.77 C ATOM 2445 CD2 LEU I 68 36.537 33.978 -0.016 1.00 19.16 C ATOM 2446 N PHE I 69 37.943 38.321 -2.064 1.00 15.92 N ATOM 2447 CA PHE I 69 38.049 39.447 -2.983 1.00 16.88 C ATOM 2448 C PHE I 69 37.332 39.172 -4.284 1.00 16.34 C ATOM 2449 O PHE I 69 37.708 38.241 -5.002 1.00 17.19 O ATOM 2450 CB PHE I 69 39.528 39.755 -3.232 1.00 15.34 C ATOM 2451 CG PHE I 69 40.169 40.395 -2.004 1.00 16.85 C ATOM 2452 CD1 PHE I 69 39.929 41.738 -1.707 1.00 18.69 C ATOM 2453 CD2 PHE I 69 40.906 39.623 -1.104 1.00 21.11 C ATOM 2454 CE1 PHE I 69 40.477 42.346 -0.516 1.00 20.06 C ATOM 2455 CE2 PHE I 69 41.475 40.214 0.076 1.00 20.16 C ATOM 2456 CZ PHE I 69 41.247 41.565 0.357 1.00 18.77 C ATOM 2457 N VAL I 70 36.310 39.984 -4.562 1.00 17.53 N ATOM 2458 CA VAL I 70 35.496 39.760 -5.752 1.00 18.11 C ATOM 2459 C VAL I 70 35.626 40.813 -6.823 1.00 19.72 C ATOM 2460 O VAL I 70 35.895 41.982 -6.518 1.00 19.36 O ATOM 2461 CB VAL I 70 34.017 39.644 -5.392 1.00 17.72 C ATOM 2462 CG1 VAL I 70 33.816 38.329 -4.524 1.00 17.35 C ATOM 2463 CG2 VAL I 70 33.523 40.914 -4.652 1.00 18.64 C ATOM 2464 N ASP I 71 35.423 40.382 -8.066 1.00 19.55 N ATOM 2465 CA ASP I 71 35.332 41.320 -9.183 1.00 20.06 C ATOM 2466 C ASP I 71 33.937 41.957 -9.204 1.00 20.67 C ATOM 2467 O ASP I 71 33.138 41.745 -8.266 1.00 19.08 O ATOM 2468 CB ASP I 71 35.815 40.674 -10.481 1.00 20.22 C ATOM 2469 CG ASP I 71 34.906 39.533 -10.980 1.00 22.93 C ATOM 2470 OD1 ASP I 71 33.717 39.449 -10.557 1.00 21.04 O ATOM 2471 OD2 ASP I 71 35.336 38.681 -11.788 1.00 26.05 O ATOM 2472 N ARG I 72 33.684 42.826 -10.198 1.00 21.85 N ATOM 2473 CA ARG I 72 32.435 43.587 -10.262 1.00 24.53 C ATOM 2474 C ARG I 72 31.236 42.648 -10.574 1.00 24.30 C ATOM 2475 O ARG I 72 30.102 43.087 -10.461 1.00 24.51 O ATOM 2476 CB ARG I 72 32.518 44.701 -11.337 1.00 26.13 C ATOM 2477 CG ARG I 72 32.479 44.137 -12.764 1.00 31.97 C ATOM 2478 CD ARG I 72 32.874 45.051 -13.979 1.00 41.81 C ATOM 2479 NE ARG I 72 33.062 44.198 -15.171 1.00 46.47 N ATOM 2480 CZ ARG I 72 32.077 43.781 -15.998 1.00 49.64 C ATOM 2481 NH1 ARG I 72 30.812 44.170 -15.810 1.00 49.12 N ATOM 2482 NH2 ARG I 72 32.362 42.987 -17.036 1.00 49.70 N ATOM 2483 N LEU I 73 31.504 41.396 -10.944 1.00 23.30 N ATOM 2484 CA LEU I 73 30.426 40.405 -11.211 1.00 22.80 C ATOM 2485 C LEU I 73 30.152 39.488 -10.014 1.00 21.78 C ATOM 2486 O LEU I 73 29.325 38.594 -10.132 1.00 21.87 O ATOM 2487 CB LEU I 73 30.787 39.536 -12.420 1.00 23.41 C ATOM 2488 CG LEU I 73 31.173 40.277 -13.725 1.00 25.89 C ATOM 2489 CD1 LEU I 73 31.518 39.311 -14.817 1.00 26.53 C ATOM 2490 CD2 LEU I 73 30.033 41.242 -14.127 1.00 27.94 C ATOM 2491 N ASP I 74 30.843 39.726 -8.890 1.00 19.60 N ATOM 2492 CA ASP I 74 30.784 38.931 -7.652 1.00 19.53 C ATOM 2493 C ASP I 74 31.373 37.538 -7.807 1.00 17.63 C ATOM 2494 O ASP I 74 30.911 36.599 -7.137 1.00 17.07 O ATOM 2495 CB ASP I 74 29.341 38.786 -7.111 1.00 19.39 C ATOM 2496 CG ASP I 74 29.118 39.515 -5.810 1.00 23.55 C ATOM 2497 OD1 ASP I 74 30.043 40.214 -5.304 1.00 27.96 O ATOM 2498 OD2 ASP I 74 28.021 39.482 -5.197 1.00 21.74 O ATOM 2499 N ASN I 75 32.371 37.393 -8.667 1.00 16.87 N ATOM 2500 CA ASN I 75 33.126 36.146 -8.725 1.00 17.33 C ATOM 2501 C ASN I 75 34.466 36.338 -8.002 1.00 16.90 C ATOM 2502 O ASN I 75 34.980 37.473 -7.965 1.00 17.03 O ATOM 2503 CB ASN I 75 33.391 35.766 -10.164 1.00 16.85 C ATOM 2504 CG ASN I 75 32.090 35.462 -10.920 1.00 18.75 C ATOM 2505 OD1 ASN I 75 31.167 34.908 -10.328 1.00 17.29 O ATOM 2506 ND2 ASN I 75 31.988 35.915 -12.199 1.00 17.79 N ATOM 2507 N ILE I 76 35.019 35.250 -7.464 1.00 15.50 N ATOM 2508 CA ILE I 76 36.307 35.360 -6.751 1.00 15.71 C ATOM 2509 C ILE I 76 37.414 35.709 -7.733 1.00 16.11 C ATOM 2510 O ILE I 76 37.548 35.053 -8.793 1.00 16.88 O ATOM 2511 CB ILE I 76 36.626 34.003 -6.042 1.00 15.00 C ATOM 2512 CG1 ILE I 76 35.469 33.664 -5.068 1.00 13.11 C ATOM 2513 CG2 ILE I 76 38.047 34.051 -5.354 1.00 13.32 C ATOM 2514 CD1 ILE I 76 35.252 34.679 -3.889 1.00 15.41 C ATOM 2515 N ALA I 77 38.235 36.712 -7.370 1.00 16.28 N ATOM 2516 CA ALA I 77 39.248 37.240 -8.297 1.00 18.49 C ATOM 2517 C ALA I 77 40.663 37.120 -7.744 1.00 19.99 C ATOM 2518 O ALA I 77 41.599 37.592 -8.392 1.00 22.43 O ATOM 2519 CB ALA I 77 38.974 38.723 -8.615 1.00 19.03 C ATOM 2520 N GLN I 78 40.809 36.517 -6.563 1.00 19.35 N ATOM 2521 CA GLN I 78 42.134 36.323 -5.912 1.00 20.24 C ATOM 2522 C GLN I 78 42.025 35.035 -5.064 1.00 19.18 C ATOM 2523 O GLN I 78 40.934 34.739 -4.546 1.00 19.18 O ATOM 2524 CB GLN I 78 42.362 37.553 -5.014 1.00 21.18 C ATOM 2525 CG GLN I 78 43.624 37.607 -4.175 1.00 26.23 C ATOM 2526 CD GLN I 78 43.806 39.008 -3.594 1.00 31.11 C ATOM 2527 OE1 GLN I 78 43.697 39.996 -4.330 1.00 29.88 O ATOM 2528 NE2 GLN I 78 44.040 39.100 -2.283 1.00 28.55 N ATOM 2529 N VAL I 79 43.121 34.302 -4.878 1.00 18.09 N ATOM 2530 CA VAL I 79 43.053 33.053 -4.082 1.00 18.57 C ATOM 2531 C VAL I 79 42.646 33.351 -2.639 1.00 18.46 C ATOM 2532 O VAL I 79 43.394 34.092 -1.916 1.00 17.95 O ATOM 2533 CB VAL I 79 44.429 32.330 -4.073 1.00 18.96 C ATOM 2534 CG1 VAL I 79 44.437 31.130 -3.152 1.00 18.25 C ATOM 2535 CG2 VAL I 79 44.834 31.883 -5.489 1.00 20.22 C ATOM 2536 N PRO I 80 41.518 32.807 -2.165 1.00 16.67 N ATOM 2537 CA PRO I 80 41.172 32.996 -0.743 1.00 16.79 C ATOM 2538 C PRO I 80 42.190 32.280 0.146 1.00 17.26 C ATOM 2539 O PRO I 80 42.633 31.164 -0.163 1.00 16.92 O ATOM 2540 CB PRO I 80 39.807 32.291 -0.603 1.00 16.24 C ATOM 2541 CG PRO I 80 39.223 32.388 -2.052 1.00 15.29 C ATOM 2542 CD PRO I 80 40.450 32.071 -2.894 1.00 16.37 C ATOM 2543 N ARG I 81 42.546 32.935 1.251 1.00 17.61 N ATOM 2544 CA ARG I 81 43.394 32.318 2.273 1.00 17.37 C ATOM 2545 C ARG I 81 43.010 32.787 3.671 1.00 18.05 C ATOM 2546 O ARG I 81 42.364 33.836 3.853 1.00 17.37 O ATOM 2547 CB ARG I 81 44.882 32.614 1.995 1.00 18.92 C ATOM 2548 CG ARG I 81 45.255 34.105 2.124 1.00 20.62 C ATOM 2549 CD ARG I 81 46.784 34.317 2.451 1.00 23.99 C ATOM 2550 NE ARG I 81 47.120 35.731 2.340 1.00 27.50 N ATOM 2551 CZ ARG I 81 46.990 36.647 3.315 1.00 30.99 C ATOM 2552 NH1 ARG I 81 46.561 36.323 4.554 1.00 29.70 N ATOM 2553 NH2 ARG I 81 47.326 37.908 3.055 1.00 29.06 N ATOM 2554 N VAL I 82 43.409 32.021 4.675 1.00 17.31 N ATOM 2555 CA VAL I 82 43.239 32.476 6.065 1.00 17.10 C ATOM 2556 C VAL I 82 44.172 33.697 6.308 1.00 17.79 C ATOM 2557 O VAL I 82 45.255 33.789 5.716 1.00 17.63 O ATOM 2558 CB VAL I 82 43.536 31.303 7.044 1.00 18.18 C ATOM 2559 CG1AVAL I 82 43.842 31.777 8.457 0.50 17.50 C ATOM 2560 CG1BVAL I 82 42.680 30.060 6.638 0.50 16.27 C ATOM 2561 CG2AVAL I 82 42.377 30.258 7.030 0.50 16.62 C ATOM 2562 CG2BVAL I 82 44.989 30.961 7.098 0.50 16.13 C ATOM 2563 N GLY I 83 43.733 34.627 7.139 1.00 17.53 N ATOM 2564 CA GLY I 83 44.618 35.739 7.492 1.00 17.66 C ATOM 2565 C GLY I 83 43.858 37.041 7.562 1.00 18.32 C ATOM 2566 O GLY I 83 44.402 37.992 8.173 1.00 17.22 O ATOM 2567 OXT GLY I 83 42.700 37.166 7.055 1.00 16.95 O TER 2568 GLY I 83 HETATM 2569 CA CA E1001 50.737 54.924 28.695 1.00 17.57 CA HETATM 2570 NA NA E1002 60.161 49.412 -0.692 1.00 19.31 NA HETATM 2571 C1 CIT E2001 74.447 68.394 9.160 1.00 21.87 C HETATM 2572 O1 CIT E2001 75.568 67.882 9.079 1.00 17.52 O HETATM 2573 O2 CIT E2001 73.897 68.971 8.181 1.00 23.01 O HETATM 2574 C2 CIT E2001 73.731 68.342 10.489 1.00 16.99 C HETATM 2575 C3 CIT E2001 74.433 67.549 11.639 1.00 20.10 C HETATM 2576 O7 CIT E2001 75.915 67.808 12.100 1.00 15.26 O HETATM 2577 C4 CIT E2001 73.240 67.338 12.641 1.00 18.01 C HETATM 2578 C5 CIT E2001 73.313 66.132 13.581 1.00 20.02 C HETATM 2579 O3 CIT E2001 74.385 65.548 13.762 1.00 18.16 O HETATM 2580 O4 CIT E2001 72.297 65.736 14.176 1.00 15.38 O HETATM 2581 C6 CIT E2001 74.791 66.317 11.106 1.00 23.12 C HETATM 2582 O5 CIT E2001 76.048 66.033 11.222 1.00 15.25 O HETATM 2583 O6 CIT E2001 73.833 65.722 10.590 1.00 16.67 O HETATM 2584 C1 ACIT E2002 74.685 62.893 6.870 0.50 28.70 C HETATM 2585 C1 BCIT E2002 74.603 60.934 8.049 0.50 33.88 C HETATM 2586 O1 ACIT E2002 75.279 62.172 6.034 0.50 26.99 O HETATM 2587 O1 BCIT E2002 75.672 60.353 7.752 0.50 35.73 O HETATM 2588 O2 ACIT E2002 74.176 63.971 6.456 0.50 21.45 O HETATM 2589 O2 BCIT E2002 73.561 60.248 8.128 0.50 36.12 O HETATM 2590 C2 CIT E2002 74.559 62.424 8.328 1.00 33.35 C HETATM 2591 C3 CIT E2002 75.672 62.798 9.337 1.00 32.47 C HETATM 2592 O7 CIT E2002 75.593 62.041 10.602 1.00 30.78 O HETATM 2593 C4 CIT E2002 77.021 63.073 8.659 1.00 31.07 C HETATM 2594 C5 CIT E2002 78.074 63.729 9.567 1.00 35.36 C HETATM 2595 O3 CIT E2002 78.276 63.420 10.775 1.00 28.12 O HETATM 2596 O4 CIT E2002 78.790 64.644 9.074 1.00 38.93 O HETATM 2597 C6 CIT E2002 75.377 64.036 10.013 1.00 32.17 C HETATM 2598 O5 CIT E2002 75.147 63.916 11.258 1.00 19.76 O HETATM 2599 O6 CIT E2002 75.445 65.060 9.304 1.00 22.11 O HETATM 2600 C1 CIT E2003 33.008 50.483 29.345 1.00 51.49 C HETATM 2601 O1 CIT E2003 33.070 50.826 30.548 1.00 46.77 O HETATM 2602 O2 CIT E2003 33.520 49.401 28.952 1.00 50.68 O HETATM 2603 C2 CIT E2003 32.337 51.402 28.357 1.00 52.69 C HETATM 2604 C3 CIT E2003 33.431 52.223 27.662 1.00 55.47 C HETATM 2605 O7 CIT E2003 34.243 51.296 26.869 1.00 54.38 O HETATM 2606 C4 CIT E2003 32.676 53.144 26.695 1.00 55.28 C HETATM 2607 C5 CIT E2003 33.577 54.146 26.009 1.00 57.92 C HETATM 2608 O3 CIT E2003 34.823 54.149 26.231 1.00 56.67 O HETATM 2609 O4 CIT E2003 33.065 54.980 25.208 1.00 58.52 O HETATM 2610 C6 CIT E2003 34.342 53.033 28.642 1.00 55.87 C HETATM 2611 O5 CIT E2003 35.424 52.570 29.148 1.00 55.00 O HETATM 2612 O6 CIT E2003 34.048 54.228 28.930 1.00 55.01 O HETATM 2613 OXT 15P E5001 57.343 66.041 27.945 1.00 52.36 O HETATM 2614 C1 15P E5001 58.351 66.032 26.930 1.00 48.79 C HETATM 2615 C2 15P E5001 59.626 65.386 27.471 1.00 46.33 C HETATM 2616 O1 15P E5001 59.388 64.556 28.625 1.00 42.85 O HETATM 2617 C3 15P E5001 60.516 64.469 29.528 1.00 36.35 C HETATM 2618 C4 15P E5001 61.523 63.463 28.973 1.00 29.08 C HETATM 2619 O2 15P E5001 60.903 62.150 28.819 1.00 21.88 O HETATM 2620 C5 15P E5001 61.926 61.235 28.431 1.00 19.83 C HETATM 2621 C6 15P E5001 61.320 59.825 28.557 1.00 17.72 C HETATM 2622 O3 15P E5001 61.000 59.532 29.920 1.00 21.62 O HETATM 2623 C7 15P E5001 61.122 58.108 30.089 1.00 17.83 C HETATM 2624 O1 15P E5003 39.348 65.710 18.540 1.00 51.35 O HETATM 2625 C3 15P E5003 40.294 65.309 17.553 1.00 48.59 C HETATM 2626 C4 15P E5003 41.660 65.947 17.767 1.00 49.95 C HETATM 2627 O2 15P E5003 41.562 67.345 17.625 1.00 52.81 O HETATM 2628 C5 15P E5003 42.755 67.969 17.163 1.00 55.09 C HETATM 2629 C6 15P E5003 42.398 69.100 16.185 1.00 58.26 C HETATM 2630 O3 15P E5003 42.004 68.576 14.899 1.00 59.89 O HETATM 2631 C7 15P E5003 41.792 69.556 13.874 1.00 59.31 C HETATM 2632 C8 15P E5003 40.374 69.442 13.306 1.00 59.63 C HETATM 2633 O4 15P E5003 40.348 68.523 12.210 1.00 58.50 O HETATM 2634 O1 15P E5004 61.998 69.434 4.015 1.00 49.38 O HETATM 2635 C3 15P E5004 62.477 68.951 5.282 1.00 47.37 C HETATM 2636 C4 15P E5004 61.328 68.439 6.167 1.00 42.58 C HETATM 2637 O2 15P E5004 60.438 67.670 5.358 1.00 39.05 O HETATM 2638 C5 15P E5004 59.213 67.384 6.007 1.00 38.33 C HETATM 2639 C6 15P E5004 58.234 66.895 4.966 1.00 37.67 C HETATM 2640 O3 15P E5004 57.469 67.994 4.490 1.00 36.12 O HETATM 2641 C7 15P E5004 56.651 67.604 3.399 1.00 39.52 C HETATM 2642 C8 15P E5004 56.178 68.849 2.683 1.00 41.16 C HETATM 2643 O4 15P E5004 57.282 69.454 2.020 1.00 40.99 O HETATM 2644 C9 15P E5004 56.901 70.618 1.289 1.00 47.32 C HETATM 2645 C10 15P E5004 57.908 70.820 0.168 1.00 49.70 C HETATM 2646 O5 15P E5004 59.208 70.681 0.739 1.00 53.90 O HETATM 2647 C11 15P E5004 60.222 70.467 -0.250 1.00 56.01 C HETATM 2648 C12 15P E5004 61.553 70.855 0.386 1.00 57.83 C HETATM 2649 O6 15P E5004 61.725 70.068 1.571 1.00 58.52 O HETATM 2650 C1 15P I5002 32.968 38.443 9.701 1.00 59.42 C HETATM 2651 C2 15P I5002 34.056 39.163 10.503 1.00 60.59 C HETATM 2652 O1 15P I5002 35.233 39.434 9.723 1.00 60.21 O HETATM 2653 C3 15P I5002 36.429 39.586 10.507 1.00 58.59 C HETATM 2654 C4 15P I5002 36.720 41.076 10.741 1.00 58.19 C HETATM 2655 O2 15P I5002 37.783 41.619 9.923 1.00 55.83 O HETATM 2656 C5 15P I5002 37.313 42.254 8.732 1.00 52.26 C HETATM 2657 C6 15P I5002 38.279 43.322 8.226 1.00 50.55 C HETATM 2658 O3 15P I5002 39.103 42.811 7.168 1.00 46.49 O HETATM 2659 C7 15P I5002 39.469 43.737 6.146 1.00 45.35 C HETATM 2660 C8 15P I5002 40.945 43.550 5.766 1.00 46.99 C HETATM 2661 O4 15P I5002 41.160 42.204 5.326 1.00 47.38 O HETATM 2662 C9 15P I5002 42.488 42.050 4.829 1.00 46.30 C HETATM 2663 C10 15P I5002 42.757 40.555 4.838 1.00 44.74 C HETATM 2664 O5 15P I5002 43.451 40.118 3.676 1.00 46.33 O HETATM 2665 C11 15P I5002 43.830 38.712 3.816 1.00 43.39 C HETATM 2666 C12 15P I5002 43.661 37.941 2.493 1.00 34.88 C HETATM 2667 O HOH E5005 53.140 42.972 23.158 1.00 11.80 O HETATM 2668 O HOH E5006 50.380 47.935 15.954 1.00 12.07 O HETATM 2669 O HOH E5007 52.710 48.433 20.845 1.00 11.48 O HETATM 2670 O HOH E5008 55.142 44.278 21.654 1.00 10.97 O HETATM 2671 O HOH E5009 50.045 63.935 19.413 1.00 16.67 O HETATM 2672 O HOH E5010 61.659 64.206 22.236 1.00 12.62 O HETATM 2673 O HOH E5011 48.816 52.805 8.948 1.00 13.14 O HETATM 2674 O HOH E5012 67.076 46.020 18.339 1.00 12.12 O HETATM 2675 O HOH E5013 68.216 49.990 12.978 1.00 13.04 O HETATM 2676 O HOH E5014 61.197 63.445 7.561 1.00 17.46 O HETATM 2677 O HOH E5015 52.709 50.702 22.367 1.00 12.64 O HETATM 2678 O HOH E5016 49.693 59.908 21.489 1.00 14.62 O HETATM 2679 O HOH E5017 53.711 61.040 26.210 1.00 14.06 O HETATM 2680 O HOH E5018 66.903 49.918 25.273 1.00 17.11 O HETATM 2681 O HOH E5019 59.123 45.381 27.709 1.00 16.52 O HETATM 2682 O HOH E5020 71.866 46.367 15.768 1.00 15.51 O HETATM 2683 O HOH E5021 55.190 46.894 20.891 1.00 10.46 O HETATM 2684 O HOH E5022 51.837 61.761 21.596 1.00 14.41 O HETATM 2685 O HOH E5023 69.018 44.104 18.384 1.00 16.86 O HETATM 2686 O HOH E5024 61.313 53.699 28.225 1.00 15.53 O HETATM 2687 O HOH E5025 54.982 66.553 19.510 1.00 16.06 O HETATM 2688 O HOH E5026 43.150 53.026 29.979 1.00 17.15 O HETATM 2689 O HOH E5027 44.253 56.556 10.674 1.00 14.61 O HETATM 2690 O HOH E5028 56.581 46.919 31.450 1.00 16.33 O HETATM 2691 O HOH E5029 71.323 51.913 3.600 1.00 18.05 O HETATM 2692 O HOH E5030 60.720 56.055 2.821 1.00 17.58 O HETATM 2693 O HOH E5031 68.075 64.066 1.167 1.00 15.96 O HETATM 2694 O HOH E5032 70.248 67.496 14.142 1.00 18.19 O HETATM 2695 O HOH E5033 52.392 47.651 1.653 1.00 16.48 O HETATM 2696 O HOH E5034 54.347 42.594 25.742 1.00 17.78 O HETATM 2697 O HOH E5035 62.566 57.682 4.059 1.00 17.85 O HETATM 2698 O HOH E5036 61.603 48.304 0.932 1.00 16.82 O HETATM 2699 O HOH E5037 43.062 51.144 31.739 1.00 21.72 O HETATM 2700 O HOH E5038 65.103 60.465 0.391 1.00 22.98 O HETATM 2701 O HOH E5039 63.079 56.595 0.436 1.00 23.11 O HETATM 2702 O HOH E5040 71.559 56.647 20.426 1.00 18.34 O HETATM 2703 O HOH E5041 36.804 44.208 26.827 1.00 18.90 O HETATM 2704 O HOH E5042 74.952 55.697 7.875 1.00 22.08 O HETATM 2705 O HOH E5043 40.594 44.017 24.232 1.00 19.81 O HETATM 2706 O HOH E5044 70.957 42.092 4.533 1.00 25.50 O HETATM 2707 O HOH E5045 37.027 53.132 10.674 1.00 24.52 O HETATM 2708 O HOH E5046 66.561 54.306 32.495 1.00 21.32 O HETATM 2709 O HOH E5047 56.499 61.270 26.122 1.00 21.35 O HETATM 2710 O HOH E5048 56.402 49.028 33.192 1.00 18.38 O HETATM 2711 O HOH E5049 75.562 52.582 15.372 1.00 24.43 O HETATM 2712 O HOH E5050 69.048 39.732 8.046 1.00 20.73 O HETATM 2713 O HOH E5051 51.661 45.011 1.298 1.00 24.61 O HETATM 2714 O HOH E5052 49.906 67.465 -1.569 1.00 23.76 O HETATM 2715 O HOH E5053 68.656 56.250 2.302 1.00 22.98 O HETATM 2716 O HOH E5054 72.102 54.040 2.406 1.00 23.53 O HETATM 2717 O HOH E5055 63.572 65.300 5.194 1.00 14.61 O HETATM 2718 O HOH E5056 70.901 63.202 3.441 1.00 26.62 O HETATM 2719 O HOH E5057 59.681 54.201 -5.750 1.00 18.00 O HETATM 2720 O HOH E5058 55.863 61.901 -7.931 1.00 23.63 O HETATM 2721 O HOH E5059 73.726 39.674 13.575 1.00 25.02 O HETATM 2722 O HOH E5060 72.658 49.096 20.516 1.00 23.58 O HETATM 2723 O HOH E5061 38.556 55.268 23.849 1.00 21.52 O HETATM 2724 O HOH E5062 36.554 55.274 17.630 1.00 20.33 O HETATM 2725 O HOH E5063 64.283 58.343 1.953 1.00 22.66 O HETATM 2726 O HOH E5064 72.503 65.159 4.222 1.00 25.08 O HETATM 2727 O HOH E5065 68.356 53.680 1.594 1.00 22.29 O HETATM 2728 O HOH E5066 37.711 57.487 26.971 1.00 24.76 O HETATM 2729 O HOH E5067 40.369 45.110 8.973 1.00 22.66 O HETATM 2730 O HOH E5068 53.288 47.515 34.693 1.00 25.07 O HETATM 2731 O HOH E5069 64.030 62.490 -1.228 1.00 29.50 O HETATM 2732 O HOH E5070 61.103 59.975 -4.532 1.00 23.66 O HETATM 2733 O HOH E5071 78.501 54.262 16.921 1.00 49.07 O HETATM 2734 O HOH E5072 48.463 58.685 33.938 1.00 30.35 O HETATM 2735 O HOH E5073 68.089 41.539 19.116 1.00 24.05 O HETATM 2736 O HOH E5074 59.521 37.956 6.029 1.00 19.63 O HETATM 2737 O HOH E5075 46.896 53.006 36.455 1.00 29.71 O HETATM 2738 O HOH E5076 50.966 62.295 -6.379 1.00 28.20 O HETATM 2739 O HOH E5077 61.347 63.793 25.404 1.00 23.53 O HETATM 2740 O HOH E5078 65.751 41.879 1.023 1.00 27.71 O HETATM 2741 O HOH E5079 74.350 42.337 12.460 1.00 26.70 O HETATM 2742 O HOH E5080 58.772 33.278 -1.841 1.00 25.50 O HETATM 2743 O HOH E5081 46.335 50.662 32.741 1.00 29.07 O HETATM 2744 O HOH E5082 55.204 44.136 28.836 1.00 30.23 O HETATM 2745 O HOH E5083 70.469 55.390 26.670 1.00 39.50 O HETATM 2746 O HOH E5084 66.607 43.433 21.387 1.00 30.37 O HETATM 2747 O HOH E5085 61.700 42.667 24.663 1.00 26.60 O HETATM 2748 O HOH E5086 72.498 65.896 8.182 1.00 36.44 O HETATM 2749 O HOH E5087 48.076 60.848 29.990 1.00 25.07 O HETATM 2750 O HOH E5088 56.322 37.152 20.166 1.00 25.40 O HETATM 2751 O HOH E5089 69.734 49.152 24.814 1.00 25.17 O HETATM 2752 O HOH E5090 66.631 57.240 1.075 1.00 27.74 O HETATM 2753 O HOH E5091 51.921 45.323 27.394 0.50 14.23 O HETATM 2754 O HOH E5092 57.579 68.912 9.119 1.00 27.03 O HETATM 2755 O HOH E5093 64.027 56.604 31.096 1.00 23.87 O HETATM 2756 O HOH E5094 64.378 48.401 0.437 1.00 25.53 O HETATM 2757 O HOH E5095 47.525 55.240 -12.097 1.00 25.21 O HETATM 2758 O HOH E5096 67.549 50.789 27.723 1.00 26.32 O HETATM 2759 O HOH E5097 65.394 47.718 25.522 1.00 23.43 O HETATM 2760 O HOH E5098 40.752 54.627 -6.966 1.00 26.05 O HETATM 2761 O HOH E5099 36.004 44.444 24.247 1.00 27.57 O HETATM 2762 O HOH E5100 56.665 58.016 -9.761 1.00 29.61 O HETATM 2763 O HOH E5101 63.184 66.238 21.346 1.00 24.20 O HETATM 2764 O HOH E5102 44.953 68.690 11.275 1.00 24.71 O HETATM 2765 O HOH E5103 45.404 54.351 -8.749 1.00 28.84 O HETATM 2766 O HOH E5104 48.749 36.960 20.244 1.00 48.67 O HETATM 2767 O HOH E5105 49.467 60.556 -7.765 1.00 24.69 O HETATM 2768 O HOH E5106 51.863 64.441 23.430 1.00 34.47 O HETATM 2769 O HOH E5107 45.152 45.879 -4.836 1.00 41.96 O HETATM 2770 O HOH E5108 70.776 64.252 7.467 0.50 15.80 O HETATM 2771 O HOH E5109 72.328 60.480 4.377 1.00 36.88 O HETATM 2772 O HOH E5110 43.223 62.697 21.485 1.00 33.84 O HETATM 2773 O HOH E5111 66.721 49.872 0.967 1.00 35.21 O HETATM 2774 O HOH E5112 72.156 54.999 24.627 1.00 33.31 O HETATM 2775 O HOH E5113 64.758 64.222 0.803 1.00 31.03 O HETATM 2776 O HOH E5114 33.241 50.067 5.477 1.00 24.95 O HETATM 2777 O HOH E5115 38.927 60.625 -1.036 1.00 28.27 O HETATM 2778 O HOH E5116 57.967 55.552 31.265 1.00 17.22 O HETATM 2779 O HOH E5117 54.306 56.829 -11.273 1.00 24.91 O HETATM 2780 O HOH E5118 74.395 54.730 3.817 1.00 21.71 O HETATM 2781 O HOH E5119 65.324 45.914 0.197 1.00 39.44 O HETATM 2782 O HOH E5120 78.752 68.498 12.490 1.00 32.55 O HETATM 2783 O HOH E5121 35.492 55.524 21.631 1.00 34.57 O HETATM 2784 O HOH E5122 40.782 51.204 -5.776 1.00 28.05 O HETATM 2785 O HOH E5123 33.205 47.426 30.434 1.00 34.64 O HETATM 2786 O HOH E5124 58.998 45.880 30.646 1.00 26.87 O HETATM 2787 O HOH E5125 38.433 44.694 22.757 1.00 33.47 O HETATM 2788 O HOH E5126 38.272 65.417 7.167 1.00 29.45 O HETATM 2789 O HOH E5127 74.379 51.265 19.991 1.00 32.45 O HETATM 2790 O HOH E5128 76.032 51.197 17.552 1.00 37.41 O HETATM 2791 O HOH E5129 49.848 34.054 4.495 1.00 23.21 O HETATM 2792 O HOH E5130 35.477 62.215 4.098 1.00 31.94 O HETATM 2793 O HOH E5131 44.076 65.310 -0.267 1.00 33.41 O HETATM 2794 O HOH E5132 68.163 52.807 29.043 1.00 24.38 O HETATM 2795 O HOH E5133 32.687 52.808 5.553 1.00 39.37 O HETATM 2796 O HOH E5134 49.942 66.606 20.175 1.00 29.98 O HETATM 2797 O HOH E5135 45.217 61.369 27.957 1.00 36.93 O HETATM 2798 O HOH E5136 36.249 57.978 18.839 1.00 32.62 O HETATM 2799 O HOH E5137 37.745 47.970 20.945 1.00 36.42 O HETATM 2800 O HOH E5138 61.201 48.224 -2.505 1.00 19.86 O HETATM 2801 O HOH E5139 45.224 70.262 3.681 1.00 29.09 O HETATM 2802 O HOH E5140 33.320 58.458 10.325 1.00 35.69 O HETATM 2803 O HOH E5141 52.947 50.481 -9.958 1.00 32.71 O HETATM 2804 O HOH E5142 67.219 32.548 6.641 1.00 37.75 O HETATM 2805 O HOH E5143 47.745 55.558 37.798 0.67 21.65 O HETATM 2806 O HOH E5144 35.686 65.245 7.051 1.00 33.14 O HETATM 2807 O HOH E5145 35.632 51.030 2.725 1.00 26.95 O HETATM 2808 O HOH E5146 76.596 59.384 18.550 0.50 18.66 O HETATM 2809 O HOH E5147 61.994 67.445 16.803 1.00 41.08 O HETATM 2810 O HOH E5148 35.482 46.660 30.748 1.00 40.74 O HETATM 2811 O HOH E5149 50.172 42.814 0.627 1.00 27.32 O HETATM 2812 O HOH E5150 61.952 48.352 28.671 1.00 27.68 O HETATM 2813 O HOH E5151 46.400 37.917 19.156 1.00 40.94 O HETATM 2814 O HOH E5152 49.621 41.597 -1.633 1.00 40.81 O HETATM 2815 O HOH E5153 32.834 55.440 1.723 1.00 32.83 O HETATM 2816 O HOH E5154 56.342 60.543 -10.237 1.00 35.23 O HETATM 2817 O HOH E5155 36.618 62.686 23.627 1.00 32.57 O HETATM 2818 O HOH E5156 31.089 48.747 6.908 1.00 38.75 O HETATM 2819 O HOH E5157 49.204 40.772 2.347 1.00 22.19 O HETATM 2820 O HOH E5158 52.332 39.489 24.132 1.00 35.87 O HETATM 2821 O HOH E5159 54.902 54.624 -12.628 1.00 36.37 O HETATM 2822 O HOH E5160 67.341 44.129 2.266 1.00 42.54 O HETATM 2823 O HOH E5161 70.304 43.215 2.228 1.00 39.16 O HETATM 2824 O HOH E5162 39.288 43.971 18.394 1.00 34.56 O HETATM 2825 O HOH E5163 62.698 67.892 -0.160 1.00 36.67 O HETATM 2826 O HOH E5164 61.555 65.781 9.129 1.00 27.90 O HETATM 2827 O HOH E5165 51.441 69.668 -1.437 1.00 36.71 O HETATM 2828 O HOH E5166 61.891 40.514 23.231 1.00 33.68 O HETATM 2829 O HOH E5167 58.356 40.674 -8.510 1.00 44.96 O HETATM 2830 O HOH E5168 52.136 62.249 28.034 1.00 38.08 O HETATM 2831 O HOH E5169 56.690 28.598 -0.535 1.00 39.60 O HETATM 2832 O HOH E5170 60.146 58.866 -9.039 1.00 34.79 O HETATM 2833 O HOH E5171 63.911 66.023 7.823 1.00 30.69 O HETATM 2834 O HOH E5172 54.512 61.281 -12.137 1.00 34.50 O HETATM 2835 O HOH E5173 51.291 68.323 18.655 1.00 38.42 O HETATM 2836 O HOH E5174 61.120 47.195 30.974 1.00 29.87 O HETATM 2837 O HOH E5175 57.985 68.625 12.677 1.00 36.11 O HETATM 2838 O HOH E5176 51.702 32.218 5.311 1.00 29.27 O HETATM 2839 O HOH E5177 60.691 41.105 -7.145 1.00 37.93 O HETATM 2840 O HOH E5178 49.975 39.644 25.140 1.00 44.42 O HETATM 2841 O HOH E5179 59.847 42.670 27.327 1.00 39.11 O HETATM 2842 O HOH E5180 33.845 53.053 2.760 1.00 31.86 O HETATM 2843 O HOH E5181 64.125 43.283 24.869 1.00 38.33 O HETATM 2844 O HOH E5182 51.777 40.550 -2.493 1.00 35.19 O HETATM 2845 O HOH E5183 34.133 47.811 0.665 1.00 36.17 O HETATM 2846 O HOH E5184 54.731 40.085 26.050 1.00 40.69 O HETATM 2847 O HOH E5185 71.462 37.639 2.889 1.00 34.34 O HETATM 2848 O HOH E5186 36.991 50.277 28.774 1.00 27.60 O HETATM 2849 O HOH E5187 56.841 30.529 6.127 1.00 33.67 O HETATM 2850 O HOH E5188 51.955 66.415 22.222 1.00 42.23 O HETATM 2851 O HOH E5189 56.053 33.107 17.442 1.00 38.34 O HETATM 2852 O HOH E5190 35.522 63.397 17.188 1.00 40.05 O HETATM 2853 O HOH E5191 80.709 52.787 12.936 1.00 44.94 O HETATM 2854 O HOH E5192 71.531 53.076 27.297 1.00 41.20 O HETATM 2855 O HOH E5193 46.616 61.064 -8.072 1.00 38.42 O HETATM 2856 O HOH E5194 62.459 67.077 11.836 1.00 32.27 O HETATM 2857 O HOH E5195 50.530 70.185 10.398 1.00 38.31 O HETATM 2858 O HOH E5196 53.458 58.649 -12.906 1.00 40.59 O HETATM 2859 O HOH E5197 49.907 60.877 -10.507 1.00 33.23 O HETATM 2860 O HOH E5198 57.635 38.107 25.302 1.00 42.07 O HETATM 2861 O HOH E5199 47.633 70.030 9.864 1.00 36.68 O HETATM 2862 O HOH E5200 59.214 47.566 -7.109 1.00 36.21 O HETATM 2863 O HOH E5201 50.603 58.948 -12.117 1.00 37.02 O HETATM 2864 O HOH E5202 63.530 65.778 26.830 1.00 43.49 O HETATM 2865 O HOH E5203 48.944 52.284 -13.389 1.00 38.48 O HETATM 2866 O HOH E5204 72.732 42.459 18.635 1.00 41.71 O HETATM 2867 O HOH E5205 63.657 31.688 9.605 1.00 34.04 O HETATM 2868 O HOH E5206 54.168 52.266 -11.831 1.00 42.23 O HETATM 2869 O HOH E5207 61.373 68.023 13.956 1.00 42.54 O HETATM 2870 O HOH E5208 35.379 50.643 16.898 1.00 37.03 O HETATM 2871 O HOH E5209 52.114 33.406 -1.054 1.00 37.67 O HETATM 2872 O HOH E5210 66.717 34.383 13.338 1.00 45.94 O HETATM 2873 O HOH E5211 34.483 57.315 24.372 1.00 39.30 O HETATM 2874 O HOH E5212 48.736 70.378 14.051 1.00 42.65 O HETATM 2875 O HOH E5213 64.441 47.633 27.975 1.00 36.69 O HETATM 2876 O HOH E5214 45.143 62.492 25.740 1.00 44.74 O HETATM 2877 O HOH E5215 36.304 49.778 -0.392 1.00 46.27 O HETATM 2878 O HOH E5216 54.310 69.276 16.067 1.00 41.43 O HETATM 2879 O HOH E5217 55.804 41.125 -4.841 1.00 38.25 O HETATM 2880 O HOH E5218 48.124 48.783 36.824 1.00 36.86 O HETATM 2881 O HOH E5219 55.037 32.198 12.909 1.00 35.15 O HETATM 2882 O HOH E5220 54.033 43.132 -8.966 1.00 41.80 O HETATM 2883 O HOH E5221 70.968 39.794 5.803 1.00 40.92 O HETATM 2884 O HOH E5222 67.392 40.401 -0.905 1.00 42.68 O HETATM 2885 O HOH E5223 46.326 59.478 32.706 1.00 50.08 O HETATM 2886 O HOH E5224 60.075 31.501 17.499 1.00 35.21 O HETATM 2887 O HOH E5225 58.647 49.948 -8.710 1.00 41.98 O HETATM 2888 O HOH E5226 74.626 61.879 3.829 1.00 42.23 O HETATM 2889 O HOH E5227 52.657 34.721 20.963 1.00 41.67 O HETATM 2890 O HOH E5228 64.158 66.531 24.183 1.00 44.19 O HETATM 2891 O HOH E5229 61.056 31.493 8.231 1.00 38.72 O HETATM 2892 O HOH E5230 61.528 54.083 -8.138 1.00 37.52 O HETATM 2893 O HOH E5231 64.863 67.078 3.598 1.00 35.15 O HETATM 2894 O HOH E5232 71.855 40.563 0.860 1.00 47.18 O HETATM 2895 O HOH E5233 45.950 58.560 35.614 1.00 37.37 O HETATM 2896 O HOH E5234 71.515 44.349 19.711 1.00 44.72 O HETATM 2897 O HOH E5235 64.264 67.889 18.877 1.00 45.49 O HETATM 2898 O HOH E5236 47.706 68.231 20.296 1.00 48.84 O HETATM 2899 O HOH E5237 45.852 70.010 13.984 1.00 39.45 O HETATM 2900 O HOH E5238 53.457 63.546 -8.305 1.00 37.70 O HETATM 2901 O HOH E5239 47.376 64.196 26.385 1.00 46.02 O HETATM 2902 O HOH E5240 41.866 68.378 8.173 1.00 49.13 O HETATM 2903 O HOH E5241 58.459 70.653 7.108 1.00 42.59 O HETATM 2904 O HOH E5242 50.367 47.020 34.649 1.00 51.95 O HETATM 2905 O HOH E5243 51.520 69.736 -4.300 1.00 46.38 O HETATM 2906 O HOH E5244 73.143 37.362 8.971 1.00 47.92 O HETATM 2907 O HOH E5245 45.027 71.057 7.416 1.00 42.96 O HETATM 2908 O HOH E5246 71.798 50.950 27.139 0.50 26.07 O HETATM 2909 O HOH E5247 52.211 31.732 1.477 1.00 42.81 O HETATM 2910 O HOH E5248 63.055 45.096 31.220 1.00 33.35 O HETATM 2911 O HOH E5249 60.772 30.288 -0.101 1.00 38.98 O HETATM 2912 O HOH E5250 34.691 53.314 17.954 1.00 44.65 O HETATM 2913 O HOH E5251 63.623 47.807 -3.282 1.00 42.02 O HETATM 2914 O HOH E5252 46.397 69.626 18.054 1.00 36.99 O HETATM 2915 O HOH E5253 55.819 68.764 -2.579 1.00 38.85 O HETATM 2916 O HOH E5254 45.500 67.708 0.362 1.00 44.30 O HETATM 2917 O HOH E5255 30.309 60.258 7.995 1.00 41.00 O HETATM 2918 O HOH E5256 53.201 47.178 37.451 1.00 43.82 O HETATM 2919 O HOH E5257 52.432 62.754 -11.059 1.00 45.76 O HETATM 2920 O HOH E5258 47.031 68.788 -1.677 1.00 45.82 O HETATM 2921 O HOH E5259 44.197 59.225 -7.778 1.00 41.88 O HETATM 2922 O HOH E5260 54.407 45.369 33.185 1.00 42.36 O HETATM 2923 O HOH E5261 48.287 57.605 -13.523 1.00 41.43 O HETATM 2924 O HOH E5262 59.581 69.120 3.134 1.00 19.41 O HETATM 2925 O HOH E5263 50.395 72.945 1.884 1.00 45.56 O HETATM 2926 O HOH E5264 43.257 60.586 -5.782 1.00 38.85 O HETATM 2927 O HOH E5265 49.988 35.036 17.765 1.00 48.72 O HETATM 2928 O HOH E5266 57.821 33.044 14.213 1.00 47.96 O HETATM 2929 O HOH E5267 73.261 46.294 20.834 1.00 47.51 O HETATM 2930 O HOH E5268 68.829 37.029 17.292 1.00 41.62 O HETATM 2931 O HOH E5269 47.096 63.190 -6.425 1.00 42.42 O HETATM 2932 O HOH E5270 52.387 41.616 -4.906 1.00 47.92 O HETATM 2933 O HOH E5271 50.643 35.153 15.016 1.00 42.94 O HETATM 2934 O HOH E5272 36.603 55.710 25.284 1.00 37.39 O HETATM 2935 O HOH E5273 51.264 31.653 8.262 1.00 37.86 O HETATM 2936 O HOH E5274 52.945 43.859 27.611 0.50 23.71 O HETATM 2937 O HOH E5275 48.285 34.023 14.228 1.00 42.78 O HETATM 2938 O HOH E5276 65.156 68.311 8.630 1.00 37.74 O HETATM 2939 O HOH E5277 33.867 57.828 19.401 1.00 39.06 O HETATM 2940 O HOH E5278 42.817 60.776 24.130 0.67 17.26 O HETATM 2941 O HOH E5279 32.042 55.123 -0.986 1.00 39.86 O HETATM 2942 O HOH E5280 35.886 48.835 -6.195 1.00 46.34 O HETATM 2943 O HOH E5281 43.801 56.639 -8.259 1.00 41.18 O HETATM 2944 O HOH E5282 58.937 43.006 31.670 1.00 44.41 O HETATM 2945 O HOH E5283 63.739 54.468 29.343 1.00 14.78 O HETATM 2946 O HOH E5284 77.109 42.674 18.171 1.00 43.83 O HETATM 2947 O HOH E5285 56.681 46.744 -9.017 1.00 49.89 O HETATM 2948 O HOH E5286 74.689 57.973 6.675 1.00 36.14 O HETATM 2949 O HOH E5287 59.452 37.931 -7.719 1.00 47.79 O HETATM 2950 O HOH E5288 60.685 45.027 -7.343 1.00 40.92 O HETATM 2951 O HOH E5289 59.276 29.515 -7.283 1.00 47.16 O HETATM 2952 O HOH E5290 31.957 45.903 3.830 1.00 45.07 O HETATM 2953 O HOH E5291 78.601 57.360 17.033 1.00 29.99 O HETATM 2954 O HOH E5292 67.581 45.524 25.100 1.00 44.53 O HETATM 2955 O HOH E5293 56.742 67.297 23.664 1.00 38.41 O HETATM 2956 O HOH E5294 54.121 54.630 -15.465 1.00 42.43 O HETATM 2957 O HOH E5295 43.540 63.393 23.869 1.00 43.08 O HETATM 2958 O HOH E5296 74.166 40.024 15.960 1.00 36.78 O HETATM 2959 O HOH E5297 35.537 57.381 -4.155 1.00 42.24 O HETATM 2960 O HOH E5298 75.711 58.967 9.845 1.00 43.53 O HETATM 2961 O HOH E5299 49.194 48.540 31.704 1.00 27.32 O HETATM 2962 O HOH E5300 33.289 46.604 27.922 1.00 57.54 O HETATM 2963 O HOH E5301 51.869 64.753 -12.780 1.00 45.02 O HETATM 2964 O HOH E5302 65.769 52.718 30.304 1.00 42.91 O HETATM 2965 O HOH E5303 31.645 63.052 1.719 1.00 49.84 O HETATM 2966 O HOH E5304 36.971 60.480 -2.952 1.00 50.04 O HETATM 2967 O HOH E5305 60.963 51.258 -9.476 1.00 41.48 O HETATM 2968 O HOH E5306 49.675 70.319 17.277 1.00 45.35 O HETATM 2969 O HOH E5307 43.455 70.152 9.203 1.00 42.30 O HETATM 2970 O HOH E5308 56.021 70.067 15.061 1.00 43.70 O HETATM 2971 O HOH E5309 43.044 65.950 21.142 1.00 54.85 O HETATM 2972 O HOH E5310 74.210 60.093 21.895 1.00 47.43 O HETATM 2973 O HOH E5311 57.952 61.631 28.411 1.00 20.10 O HETATM 2974 O HOH E5312 45.363 55.333 -11.339 1.00 47.48 O HETATM 2975 O HOH E5313 75.042 52.695 25.778 1.00 47.04 O HETATM 2976 O HOH E5314 77.549 66.884 8.325 1.00 46.85 O HETATM 2977 O HOH E5315 39.193 68.107 16.147 1.00 47.39 O HETATM 2978 O AHOH E5316 65.360 50.267 30.282 0.50 23.84 O HETATM 2979 O HOH E5317 80.643 61.953 16.613 1.00 54.21 O HETATM 2980 O HOH E5318 53.729 71.763 2.315 1.00 49.19 O HETATM 2981 O HOH E5319 80.318 59.420 17.328 1.00 55.09 O HETATM 2982 O HOH E5320 51.068 64.578 25.812 1.00 45.26 O HETATM 2983 O HOH E5321 41.629 61.221 25.447 0.33 17.30 O HETATM 2984 O HOH E5322 59.155 70.989 4.385 1.00 46.89 O HETATM 2985 O HOH E5323 54.734 30.963 4.532 1.00 45.42 O HETATM 2986 O HOH E5324 50.172 72.061 -0.780 1.00 45.40 O HETATM 2987 O HOH E5325 61.868 37.615 -6.600 1.00 52.43 O HETATM 2988 O HOH E5326 39.525 61.512 -5.461 1.00 48.62 O HETATM 2989 O HOH E5327 60.262 31.558 10.692 1.00 37.62 O HETATM 2990 O HOH E5328 36.526 48.558 17.750 1.00 42.47 O HETATM 2991 O HOH E5329 68.811 36.384 -0.939 1.00 48.94 O HETATM 2992 O HOH E5330 38.621 55.603 -6.530 1.00 52.64 O HETATM 2993 O HOH E5331 73.187 50.585 26.282 0.50 26.11 O HETATM 2994 O HOH E5332 49.734 34.191 -0.457 1.00 39.09 O HETATM 2995 O HOH E5333 54.592 33.775 14.753 1.00 48.74 O HETATM 2996 O HOH E5334 34.242 53.528 21.215 1.00 56.26 O HETATM 2997 O HOH E5335 75.107 62.953 14.011 0.50 17.39 O HETATM 2998 O HOH E5336 77.360 61.799 19.004 0.50 24.76 O HETATM 2999 O HOH E5337 48.672 45.479 28.123 1.00 50.55 O HETATM 3000 O HOH E5338 56.450 63.527 29.881 1.00 45.17 O HETATM 3001 O HOH E5339 59.008 34.168 20.552 1.00 44.31 O HETATM 3002 O HOH E5340 47.361 47.282 29.274 1.00 50.16 O HETATM 3003 O HOH E5341 62.560 67.343 28.119 1.00 44.95 O HETATM 3004 O HOH E5342 58.623 55.782 -11.640 1.00 44.77 O HETATM 3005 O HOH E5343 48.444 42.897 28.693 1.00 42.20 O HETATM 3006 O HOH E5344 62.773 47.047 -6.293 1.00 53.04 O HETATM 3007 O HOH E5345 58.831 28.680 4.201 1.00 57.70 O HETATM 3008 O HOH E5346 55.663 65.821 25.505 1.00 56.01 O HETATM 3009 O HOH E5347 55.341 31.075 -6.570 1.00 48.40 O HETATM 3010 O HOH E5348 55.422 68.293 21.448 1.00 46.63 O HETATM 3011 O HOH E5349 48.623 56.968 38.476 0.33 15.51 O HETATM 3012 O HOH E5350 56.059 37.139 23.488 1.00 61.85 O HETATM 3013 O HOH E5351 34.698 46.948 23.579 1.00 45.06 O HETATM 3014 O HOH E5352 35.140 50.484 -2.515 1.00 40.99 O HETATM 3015 O HOH E5353 68.676 47.282 -0.146 1.00 47.16 O HETATM 3016 O HOH E5354 68.702 50.280 -0.104 1.00 47.04 O HETATM 3017 O HOH E5355 39.309 63.749 24.123 1.00 43.38 O HETATM 3018 O HOH E5356 51.585 46.008 -10.072 1.00 41.61 O HETATM 3019 O HOH E5357 61.258 68.249 24.193 1.00 52.87 O HETATM 3020 O HOH E5358 70.042 39.827 19.013 1.00 47.74 O HETATM 3021 O HOH E5359 45.429 60.365 29.863 1.00 44.94 O HETATM 3022 O HOH E5360 32.735 56.523 -3.395 1.00 41.64 O HETATM 3023 O HOH E5361 57.087 41.489 28.240 1.00 50.78 O HETATM 3024 O HOH E5362 29.861 52.502 4.989 1.00 47.75 O HETATM 3025 O HOH E5363 46.090 37.177 -0.342 1.00 44.76 O HETATM 3026 O HOH E5364 79.088 47.820 18.917 1.00 56.19 O HETATM 3027 O HOH E5365 44.529 65.477 -3.147 1.00 47.57 O HETATM 3028 O HOH E5366 70.724 42.979 22.393 1.00 41.06 O HETATM 3029 O HOH E5367 35.361 44.726 29.248 1.00 56.59 O HETATM 3030 O HOH E5368 78.063 58.663 18.499 0.50 29.89 O HETATM 3031 O HOH I5003 30.102 29.137 -8.296 1.00 17.28 O HETATM 3032 O HOH I5004 27.672 22.945 3.439 1.00 14.17 O HETATM 3033 O HOH I5005 28.876 25.387 4.048 1.00 16.47 O HETATM 3034 O HOH I5006 26.900 30.649 0.144 1.00 18.43 O HETATM 3035 O HOH I5007 42.022 36.369 4.634 1.00 16.04 O HETATM 3036 O HOH I5008 39.837 36.105 -2.398 1.00 20.38 O HETATM 3037 O HOH I5009 41.895 35.861 1.373 1.00 17.36 O HETATM 3038 O HOH I5010 31.568 31.001 10.799 1.00 21.16 O HETATM 3039 O HOH I5011 30.993 25.645 -9.848 1.00 21.10 O HETATM 3040 O HOH I5012 46.521 38.702 6.482 1.00 21.18 O HETATM 3041 O HOH I5013 42.408 36.485 -1.277 1.00 26.96 O HETATM 3042 O HOH I5014 34.395 36.976 -13.409 1.00 22.44 O HETATM 3043 O HOH I5015 47.717 32.529 5.644 1.00 23.12 O HETATM 3044 O HOH I5016 45.466 35.335 -6.255 1.00 29.00 O HETATM 3045 O HOH I5017 27.503 30.106 2.904 1.00 33.70 O HETATM 3046 O HOH I5018 31.263 40.847 3.941 1.00 27.95 O HETATM 3047 O HOH I5019 25.357 22.260 1.804 1.00 30.84 O HETATM 3048 O HOH I5020 43.453 41.699 14.721 1.00 36.48 O HETATM 3049 O HOH I5021 25.807 20.799 -0.276 1.00 34.12 O HETATM 3050 O HOH I5022 31.571 34.127 8.572 1.00 36.90 O HETATM 3051 O HOH I5023 25.125 23.387 -3.384 1.00 29.76 O HETATM 3052 O HOH I5024 43.501 43.625 -1.698 1.00 48.39 O HETATM 3053 O HOH I5025 23.785 25.060 -1.062 1.00 38.24 O HETATM 3054 O HOH I5026 44.973 41.689 -0.642 1.00 34.17 O HETATM 3055 O HOH I5027 30.884 42.795 -6.862 1.00 34.33 O HETATM 3056 O HOH I5028 25.068 36.566 -2.352 1.00 31.52 O HETATM 3057 O HOH I5029 34.705 44.401 -7.205 1.00 33.16 O HETATM 3058 O HOH I5030 38.133 35.621 -11.367 1.00 36.45 O HETATM 3059 O HOH I5031 27.582 32.385 4.513 1.00 39.26 O HETATM 3060 O HOH I5032 34.692 21.852 1.269 1.00 39.47 O HETATM 3061 O HOH I5033 29.392 27.202 10.267 1.00 32.73 O HETATM 3062 O HOH I5034 39.926 33.597 18.221 1.00 48.83 O HETATM 3063 O HOH I5035 29.989 42.101 -3.279 1.00 39.53 O HETATM 3064 O HOH I5036 37.937 38.330 -12.102 1.00 40.05 O HETATM 3065 O HOH I5037 25.860 32.946 0.221 1.00 42.80 O HETATM 3066 O HOH I5038 29.438 33.960 4.987 1.00 50.65 O HETATM 3067 O HOH I5039 38.910 20.985 7.467 1.00 35.23 O HETATM 3068 O HOH I5040 38.455 24.797 11.441 1.00 39.89 O HETATM 3069 O HOH I5041 24.093 31.224 -1.204 1.00 35.67 O HETATM 3070 O HOH I5042 41.107 45.161 12.254 1.00 35.77 O HETATM 3071 O HOH I5043 45.904 35.635 14.211 1.00 32.04 O HETATM 3072 O HOH I5044 43.836 29.531 -8.657 1.00 31.13 O HETATM 3073 O HOH I5045 36.039 43.855 -11.678 1.00 39.84 O HETATM 3074 O HOH I5046 28.291 42.538 -8.262 1.00 47.43 O HETATM 3075 O HOH I5047 28.737 31.527 9.541 1.00 47.83 O HETATM 3076 O HOH I5048 43.058 42.759 -4.051 1.00 36.43 O HETATM 3077 O HOH I5049 44.786 40.630 1.783 1.00 37.27 O HETATM 3078 O HOH I5050 32.161 44.055 -2.877 1.00 45.54 O HETATM 3079 O HOH I5051 34.958 32.943 -13.793 1.00 40.61 O HETATM 3080 O HOH I5052 45.699 41.630 6.056 1.00 21.70 O HETATM 3081 O HOH I5053 28.524 19.820 -0.070 1.00 39.02 O HETATM 3082 O HOH I5054 45.874 34.931 -1.650 1.00 34.80 O HETATM 3083 O HOH I5055 27.387 24.312 -4.164 1.00 30.43 O HETATM 3084 O HOH I5056 37.960 22.218 -0.055 1.00 36.24 O HETATM 3085 O HOH I5057 36.768 45.789 -7.850 1.00 46.61 O HETATM 3086 O HOH I5058 32.283 44.604 -0.462 1.00 48.04 O HETATM 3087 O HOH I5059 31.170 22.960 -4.245 1.00 42.67 O HETATM 3088 O HOH I5060 31.684 20.967 -1.529 1.00 49.28 O HETATM 3089 O HOH I5061 29.436 22.780 -2.742 1.00 43.35 O HETATM 3090 O HOH I5062 40.025 25.768 13.209 1.00 52.06 O HETATM 3091 O HOH I5063 27.485 39.382 -2.771 1.00 42.83 O HETATM 3092 O HOH I5064 26.822 35.629 -0.263 1.00 52.75 O HETATM 3093 O HOH I5065 37.499 23.163 -2.459 1.00 38.81 O HETATM 3094 O HOH I5066 40.166 24.834 8.815 1.00 45.30 O HETATM 3095 O HOH I5067 45.038 24.198 -0.464 1.00 46.30 O HETATM 3096 O HOH I5068 39.227 40.996 -11.615 1.00 46.07 O HETATM 3097 O HOH I5069 28.076 43.782 -12.344 1.00 37.25 O HETATM 3098 O HOH I5070 39.210 41.192 16.971 1.00 39.68 O HETATM 3099 O HOH I5071 29.195 42.995 -17.349 1.00 54.73 O HETATM 3100 O HOH I5072 40.518 28.420 -9.841 1.00 47.32 O HETATM 3101 O HOH I5073 29.478 37.865 3.835 1.00 43.79 O HETATM 3102 O HOH I5074 41.986 40.076 16.439 1.00 42.08 O HETATM 3103 O HOH I5075 31.051 32.371 13.170 1.00 46.67 O HETATM 3104 O HOH I5076 45.720 40.079 14.731 1.00 24.21 O HETATM 3105 O HOH I5077 36.690 28.495 -11.796 1.00 45.37 O HETATM 3106 O HOH I5078 43.111 36.204 15.498 1.00 52.31 O HETATM 3107 O HOH I5079 36.689 34.896 15.808 1.00 38.86 O HETATM 3108 O HOH I5080 36.097 24.792 -7.173 1.00 53.57 O HETATM 3109 O HOH I5081 36.732 26.390 11.933 1.00 26.14 O HETATM 3110 O HOH I5082 46.008 24.905 2.561 1.00 38.91 O HETATM 3111 O HOH I5083 37.648 43.757 11.799 1.00 57.52 O HETATM 3112 O HOH I5084 29.788 45.333 -13.912 1.00 49.98 O HETATM 3113 O HOH I5085 24.144 24.689 1.138 1.00 48.66 O HETATM 3114 O HOH I5086 47.976 30.124 4.094 1.00 42.15 O HETATM 3115 O HOH I5087 43.462 45.178 12.958 0.50214.11 O HETATM 3116 O HOH I5088 47.185 25.721 -2.364 1.00 46.67 O HETATM 3117 O HOH I5089 47.357 28.639 -2.877 1.00 47.07 O HETATM 3118 O HOH I5090 42.066 27.694 9.719 1.00 52.49 O HETATM 3119 O HOH I5091 47.661 32.716 -1.118 1.00 45.28 O HETATM 3120 O HOH I5092 49.812 32.899 1.948 1.00 37.38 O HETATM 3121 O HOH I5093 32.295 45.057 -5.305 1.00 48.60 O HETATM 3122 O HOH I5094 40.622 21.393 5.699 1.00 51.59 O HETATM 3123 O HOH I5095 44.409 40.307 -6.889 1.00 38.60 O HETATM 3124 O HOH I5096 28.615 39.264 1.802 1.00 48.20 O HETATM 3125 O HOH I5097 45.413 28.214 10.277 1.00 59.52 O HETATM 3126 O HOH I5098 36.121 23.622 -4.436 1.00 43.54 O HETATM 3127 O HOH I5099 36.610 39.202 15.726 1.00 62.98 O HETATM 3128 O HOH I5100 31.218 39.975 6.863 1.00 46.52 O HETATM 3129 O HOH I5101 32.849 43.733 3.770 1.00 47.77 O HETATM 3130 O HOH I5102 46.917 40.463 3.987 1.00 27.71 O CONECT 13 2569 CONECT 298 2569 CONECT 534 2569 CONECT 553 2569 CONECT 564 2569 CONECT 576 2569 CONECT 1180 2570 CONECT 1193 2570 CONECT 1218 2570 CONECT 2569 13 298 534 553 CONECT 2569 564 576 CONECT 2570 1180 1193 1218 2698 CONECT 2570 2800 CONECT 2571 2572 2573 2574 CONECT 2572 2571 CONECT 2573 2571 CONECT 2574 2571 2575 CONECT 2575 2574 2576 2577 2581 CONECT 2576 2575 CONECT 2577 2575 2578 CONECT 2578 2577 2579 2580 CONECT 2579 2578 CONECT 2580 2578 CONECT 2581 2575 2582 2583 CONECT 2582 2581 CONECT 2583 2581 CONECT 2584 2586 2588 2590 CONECT 2585 2587 2589 2590 CONECT 2586 2584 CONECT 2587 2585 CONECT 2588 2584 CONECT 2589 2585 CONECT 2590 2584 2585 2591 CONECT 2591 2590 2592 2593 2597 CONECT 2592 2591 CONECT 2593 2591 2594 CONECT 2594 2593 2595 2596 CONECT 2595 2594 CONECT 2596 2594 CONECT 2597 2591 2598 2599 CONECT 2598 2597 CONECT 2599 2597 CONECT 2600 2601 2602 2603 CONECT 2601 2600 CONECT 2602 2600 CONECT 2603 2600 2604 CONECT 2604 2603 2605 2606 2610 CONECT 2605 2604 CONECT 2606 2604 2607 CONECT 2607 2606 2608 2609 CONECT 2608 2607 CONECT 2609 2607 CONECT 2610 2604 2611 2612 CONECT 2611 2610 CONECT 2612 2610 CONECT 2613 2614 CONECT 2614 2613 2615 CONECT 2615 2614 2616 CONECT 2616 2615 2617 CONECT 2617 2616 2618 CONECT 2618 2617 2619 CONECT 2619 2618 2620 CONECT 2620 2619 2621 CONECT 2621 2620 2622 CONECT 2622 2621 2623 CONECT 2623 2622 CONECT 2624 2625 CONECT 2625 2624 2626 CONECT 2626 2625 2627 CONECT 2627 2626 2628 CONECT 2628 2627 2629 CONECT 2629 2628 2630 CONECT 2630 2629 2631 CONECT 2631 2630 2632 CONECT 2632 2631 2633 CONECT 2633 2632 CONECT 2634 2635 CONECT 2635 2634 2636 CONECT 2636 2635 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 2640 CONECT 2640 2639 2641 CONECT 2641 2640 2642 CONECT 2642 2641 2643 CONECT 2643 2642 2644 CONECT 2644 2643 2645 CONECT 2645 2644 2646 CONECT 2646 2645 2647 CONECT 2647 2646 2648 CONECT 2648 2647 2649 CONECT 2649 2648 CONECT 2650 2651 CONECT 2651 2650 2652 CONECT 2652 2651 2653 CONECT 2653 2652 2654 CONECT 2654 2653 2655 CONECT 2655 2654 2656 CONECT 2656 2655 2657 CONECT 2657 2656 2658 CONECT 2658 2657 2659 CONECT 2659 2658 2660 CONECT 2660 2659 2661 CONECT 2661 2660 2662 CONECT 2662 2661 2663 CONECT 2663 2662 2664 CONECT 2664 2663 2665 CONECT 2665 2664 2666 CONECT 2666 2665 CONECT 2698 2570 CONECT 2800 2570 MASTER 440 0 9 11 15 0 25 6 3062 2 111 27 END
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Related entries of code: 1y3d
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1tm1
RCSB PDB
PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
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PDBbind
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PDBbind
64-mer
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RCSB PDB
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64-mer
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PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y3d
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
subtilisin bpn
Ligand Name
64-mer
EC.Number
E.C.3.4.21.62
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.56nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v44 pp. 6823-30, 2005
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00782
Q40059
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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