Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 23-NOV-04 1Y34 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 E60A 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: PCI2E60A 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 1Y34 1 REMARK REVDAT 2 24-FEB-09 1Y34 1 VERSN REVDAT 1 17-MAY-05 1Y34 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. 1.55 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 66467 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) : 0.156 REMARK 3 R VALUE (WORKING SET) : 0.155 REMARK 3 FREE R VALUE : 0.180 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3526 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) : 1.55 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.59 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4585 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2260 REMARK 3 BIN FREE R VALUE SET COUNT : 257 REMARK 3 BIN FREE R VALUE : 0.2560 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2505 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 93 REMARK 3 SOLVENT ATOMS : 499 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.28 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.22000 REMARK 3 B22 (A**2) : 0.22000 REMARK 3 B33 (A**2) : -0.34000 REMARK 3 B12 (A**2) : 0.11000 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): 0.059 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.062 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.040 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.120 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 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 ; 0.018 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3668 ; 1.780 ; 1.964 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 346 ; 5.730 ; 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): 410 ; 0.126 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2018 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1403 ; 0.228 ; 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): 400 ; 0.176 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 8 ; 0.067 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 37 ; 0.430 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 46 ; 0.243 ; 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 ; 0.925 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2779 ; 1.551 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 991 ; 2.600 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 888 ; 4.332 ; 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 1Y34 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-NOV-04. REMARK 100 THE DEPOSITION ID IS D_1000031055. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-OCT-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 : 8.3.1 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 : 69997 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.550 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 (%) : 99.3 REMARK 200 DATA REDUNDANCY : 4.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06600 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.0000 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 (%): 54.20 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 123.55467 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 61.77733 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 92.66600 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 30.88867 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 154.44333 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 123.55467 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 61.77733 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 30.88867 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 92.66600 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 154.44333 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: 2370 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13260 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: 5740 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25510 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -47.0 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 93.82000 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 162.50101 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 30.88867 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 CD2 HIS E 276 O HOH E 5305 1.08 REMARK 500 NE2 HIS E 276 O HOH E 5305 1.73 REMARK 500 O HOH E 5337 O HOH E 5338 2.09 REMARK 500 O HOH E 5215 O HOH E 5389 2.09 REMARK 500 O HOH E 5216 O HOH E 5309 2.13 REMARK 500 O HOH I 104 O HOH I 180 2.15 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 1.72 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. = 5.9 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 -149.26 -169.22 REMARK 500 SER E 63 -24.43 109.57 REMARK 500 ALA E 73 22.53 -151.90 REMARK 500 ASN E 77 -158.05 -159.53 REMARK 500 SER E 159 69.02 -153.15 REMARK 500 LEU E 257 -126.90 -118.54 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 5002 REMARK 610 15P E 5003 REMARK 610 15P E 5004 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 165.1 REMARK 620 3 LEU E 75 O 77.2 88.9 REMARK 620 4 ASN E 77 OD1 87.5 88.3 94.3 REMARK 620 5 ILE E 79 O 103.5 90.0 175.5 81.3 REMARK 620 6 VAL E 81 O 96.2 89.2 90.6 174.4 93.8 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 92.2 REMARK 620 3 VAL E 174 O 107.7 89.2 REMARK 620 4 HOH E5137 O 104.1 85.8 147.9 REMARK 620 5 HOH E5036 O 107.1 160.5 82.2 92.3 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 E 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: 1Y3B RELATED DB: PDB REMARK 900 RELATED ID: 1Y3C RELATED DB: PDB REMARK 900 RELATED ID: 1Y3D 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 1Y34 E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y34 I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y34 HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y34 HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y34 HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y34 HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y34 HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y34 HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y34 MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y34 ALA I 60 UNP Q40059 GLU 61 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 ALA TYR ARG ILE ASP ARG VAL ARG 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 E5002 16 HET 15P E5003 14 HET 15P E5004 11 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 *499(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 TYR E 91 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 ASP I 64 N GLN I 47 SHEET 3 D 3 ARG I 81 GLY I 83 -1 O GLY I 83 N ARG I 65 LINK OE1 GLN E 2 CA CA E1001 1555 1555 2.37 LINK OD1 ASP E 41 CA CA E1001 1555 1555 2.47 LINK O LEU E 75 CA CA E1001 1555 1555 2.31 LINK OD1 ASN E 77 CA CA E1001 1555 1555 2.32 LINK O ILE E 79 CA CA E1001 1555 1555 2.40 LINK O VAL E 81 CA CA E1001 1555 1555 2.52 LINK O GLY E 169 NA NA E1002 1555 1555 2.39 LINK O TYR E 171 NA NA E1002 1555 1555 2.34 LINK O VAL E 174 NA NA E1002 1555 1555 2.33 LINK NA NA E1002 O HOH E5137 1555 1555 2.38 LINK NA NA E1002 O HOH E5036 1555 1555 2.43 CISPEP 1 TYR E 167 PRO E 168 0 7.72 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 E5137 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 E5085 HOH E5118 HOH E5305 SITE 4 AC3 13 HOH E5316 SITE 1 AC4 14 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 14 HOH E5064 HOH E5085 HOH E5218 HOH E5226 SITE 3 AC4 14 HOH E5263 HOH E5287 HOH E5299 HOH E5305 SITE 4 AC4 14 HOH E5316 HOH E5374 SITE 1 AC5 12 PRO E 172 SER E 173 GLY E 211 LYS E 213 SITE 2 AC5 12 ARG E 247 HOH E5039 HOH E5065 HOH E5089 SITE 3 AC5 12 HOH E5121 HOH E5184 HOH E5211 HOH E5273 SITE 1 AC6 4 HIS E 17 THR E 22 ASN E 76 HOH E5312 SITE 1 AC7 5 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC7 5 HOH E5161 SITE 1 AC8 6 SER E 37 VAL E 44 ALA E 45 GLY E 47 SITE 2 AC8 6 PHE E 58 HOH E5317 SITE 1 AC9 3 GLN E 19 GLN E 271 GLN E 275 CRYST1 93.820 93.820 185.332 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 0.010659 0.006154 0.000000 0.00000 SCALE2 0.000000 0.012308 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005396 0.00000 ATOM 1 N ALA E 1 48.919 51.057 36.499 1.00 14.11 N ATOM 2 CA ALA E 1 50.355 51.139 36.052 1.00 12.44 C ATOM 3 C ALA E 1 50.379 50.864 34.567 1.00 12.44 C ATOM 4 O ALA E 1 49.538 50.110 34.038 1.00 12.88 O ATOM 5 CB ALA E 1 51.179 50.067 36.740 1.00 12.51 C ATOM 6 N GLN E 2 51.338 51.492 33.921 1.00 10.81 N ATOM 7 CA GLN E 2 51.640 51.284 32.513 1.00 10.42 C ATOM 8 C GLN E 2 52.498 50.034 32.299 1.00 10.32 C ATOM 9 O GLN E 2 53.350 49.684 33.123 1.00 11.15 O ATOM 10 CB GLN E 2 52.402 52.527 32.034 1.00 9.16 C ATOM 11 CG GLN E 2 52.909 52.464 30.568 1.00 11.33 C ATOM 12 CD GLN E 2 53.415 53.827 30.180 1.00 10.28 C ATOM 13 OE1 GLN E 2 52.649 54.637 29.614 1.00 10.07 O ATOM 14 NE2 GLN E 2 54.675 54.132 30.566 1.00 10.58 N ATOM 15 N SER E 3 52.277 49.391 31.164 1.00 8.90 N ATOM 16 CA SER E 3 53.089 48.256 30.700 1.00 9.86 C ATOM 17 C SER E 3 53.773 48.597 29.409 1.00 9.83 C ATOM 18 O SER E 3 53.242 49.345 28.578 1.00 10.96 O ATOM 19 CB SER E 3 52.210 47.005 30.525 1.00 11.75 C ATOM 20 OG ASER E 3 51.151 47.206 29.672 0.33 10.36 O ATOM 21 OG BSER E 3 52.762 46.041 29.656 0.33 12.06 O ATOM 22 OG CSER E 3 51.520 46.679 31.704 0.33 11.35 O ATOM 23 N VAL E 4 54.981 48.086 29.267 1.00 9.70 N ATOM 24 CA VAL E 4 55.738 48.311 28.036 1.00 9.48 C ATOM 25 C VAL E 4 55.625 47.008 27.233 1.00 9.72 C ATOM 26 O VAL E 4 56.191 45.969 27.634 1.00 11.76 O ATOM 27 CB VAL E 4 57.195 48.595 28.352 1.00 10.36 C ATOM 28 CG1 VAL E 4 57.981 48.833 27.027 1.00 10.81 C ATOM 29 CG2 VAL E 4 57.299 49.840 29.271 1.00 10.86 C ATOM 30 N PRO E 5 54.913 47.042 26.110 1.00 8.54 N ATOM 31 CA PRO E 5 54.787 45.825 25.302 1.00 9.45 C ATOM 32 C PRO E 5 56.160 45.344 24.882 1.00 9.60 C ATOM 33 O PRO E 5 57.086 46.146 24.650 1.00 9.71 O ATOM 34 CB PRO E 5 53.959 46.293 24.102 1.00 10.59 C ATOM 35 CG PRO E 5 53.165 47.503 24.636 1.00 12.08 C ATOM 36 CD PRO E 5 54.173 48.183 25.529 1.00 11.07 C ATOM 37 N TYR E 6 56.303 44.032 24.747 1.00 9.40 N ATOM 38 CA TYR E 6 57.642 43.494 24.493 1.00 9.82 C ATOM 39 C TYR E 6 58.284 44.045 23.221 1.00 8.86 C ATOM 40 O TYR E 6 59.532 44.227 23.194 1.00 9.83 O ATOM 41 CB TYR E 6 57.590 41.945 24.399 1.00 9.81 C ATOM 42 CG TYR E 6 57.184 41.408 23.014 1.00 11.95 C ATOM 43 CD1 TYR E 6 58.146 41.209 21.988 1.00 13.15 C ATOM 44 CD2 TYR E 6 55.863 41.061 22.728 1.00 12.45 C ATOM 45 CE1 TYR E 6 57.773 40.730 20.686 1.00 13.40 C ATOM 46 CE2 TYR E 6 55.503 40.586 21.455 1.00 12.71 C ATOM 47 CZ TYR E 6 56.471 40.406 20.458 1.00 15.43 C ATOM 48 OH TYR E 6 56.114 39.905 19.212 1.00 16.48 O ATOM 49 N GLY E 7 57.467 44.348 22.213 1.00 8.90 N ATOM 50 CA GLY E 7 58.010 44.800 20.945 1.00 8.98 C ATOM 51 C GLY E 7 58.669 46.180 21.075 1.00 9.70 C ATOM 52 O GLY E 7 59.653 46.456 20.375 1.00 9.53 O ATOM 53 N VAL E 8 58.141 47.026 21.966 1.00 9.14 N ATOM 54 CA VAL E 8 58.751 48.365 22.175 1.00 9.14 C ATOM 55 C VAL E 8 60.164 48.185 22.777 1.00 9.88 C ATOM 56 O VAL E 8 61.138 48.841 22.357 1.00 9.29 O ATOM 57 CB VAL E 8 57.851 49.198 23.132 1.00 8.78 C ATOM 58 CG1 VAL E 8 58.542 50.546 23.555 1.00 7.81 C ATOM 59 CG2 VAL E 8 56.504 49.470 22.440 1.00 8.86 C ATOM 60 N SER E 9 60.302 47.239 23.717 1.00 8.91 N ATOM 61 CA SER E 9 61.605 46.926 24.288 1.00 9.55 C ATOM 62 C SER E 9 62.525 46.269 23.287 1.00 9.48 C ATOM 63 O SER E 9 63.740 46.533 23.249 1.00 9.92 O ATOM 64 CB SER E 9 61.465 46.018 25.526 1.00 10.98 C ATOM 65 OG SER E 9 60.662 46.702 26.496 1.00 13.49 O ATOM 66 N GLN E 10 61.936 45.391 22.475 1.00 9.86 N ATOM 67 CA GLN E 10 62.731 44.592 21.530 1.00 9.25 C ATOM 68 C GLN E 10 63.467 45.457 20.495 1.00 10.70 C ATOM 69 O GLN E 10 64.609 45.109 20.099 1.00 11.43 O ATOM 70 CB GLN E 10 61.836 43.551 20.847 1.00 9.38 C ATOM 71 CG GLN E 10 62.609 42.560 19.958 1.00 10.68 C ATOM 72 CD GLN E 10 61.730 41.374 19.605 1.00 14.63 C ATOM 73 OE1 GLN E 10 60.914 41.009 20.423 1.00 19.40 O ATOM 74 NE2 GLN E 10 61.947 40.734 18.460 1.00 12.77 N ATOM 75 N ILE E 11 62.839 46.548 20.068 1.00 10.04 N ATOM 76 CA ILE E 11 63.484 47.449 19.089 1.00 9.80 C ATOM 77 C ILE E 11 64.377 48.485 19.776 1.00 10.16 C ATOM 78 O ILE E 11 64.978 49.317 19.072 1.00 9.73 O ATOM 79 CB ILE E 11 62.448 48.161 18.156 1.00 9.46 C ATOM 80 CG1 ILE E 11 61.573 49.148 18.976 1.00 9.21 C ATOM 81 CG2 ILE E 11 61.600 47.092 17.416 1.00 10.38 C ATOM 82 CD1 ILE E 11 60.814 50.138 18.080 1.00 9.15 C ATOM 83 N LYS E 12 64.484 48.412 21.108 1.00 10.66 N ATOM 84 CA LYS E 12 65.369 49.260 21.927 1.00 11.13 C ATOM 85 C LYS E 12 64.863 50.703 22.003 1.00 10.48 C ATOM 86 O LYS E 12 65.662 51.643 22.227 1.00 10.72 O ATOM 87 CB LYS E 12 66.864 49.155 21.513 1.00 11.77 C ATOM 88 CG LYS E 12 67.327 47.677 21.450 1.00 14.36 C ATOM 89 CD LYS E 12 68.849 47.531 21.378 1.00 21.71 C ATOM 90 CE LYS E 12 69.310 46.067 21.343 1.00 26.31 C ATOM 91 NZ LYS E 12 68.730 45.177 22.395 1.00 33.20 N ATOM 92 N ALA E 13 63.547 50.891 21.886 1.00 10.90 N ATOM 93 CA ALA E 13 62.994 52.230 22.094 1.00 10.54 C ATOM 94 C ALA E 13 63.279 52.790 23.505 1.00 10.73 C ATOM 95 O ALA E 13 63.499 54.003 23.608 1.00 10.40 O ATOM 96 CB ALA E 13 61.469 52.260 21.777 1.00 10.09 C ATOM 97 N PRO E 14 63.234 51.991 24.571 1.00 10.70 N ATOM 98 CA PRO E 14 63.522 52.566 25.908 1.00 10.68 C ATOM 99 C PRO E 14 64.894 53.246 25.964 1.00 10.70 C ATOM 100 O PRO E 14 65.045 54.171 26.792 1.00 10.70 O ATOM 101 CB PRO E 14 63.445 51.334 26.844 1.00 11.30 C ATOM 102 CG PRO E 14 62.336 50.474 26.120 1.00 11.24 C ATOM 103 CD PRO E 14 62.844 50.551 24.657 1.00 10.74 C ATOM 104 N ALA E 15 65.881 52.804 25.187 1.00 10.47 N ATOM 105 CA ALA E 15 67.186 53.509 25.181 1.00 10.31 C ATOM 106 C ALA E 15 67.048 54.942 24.712 1.00 11.23 C ATOM 107 O ALA E 15 67.735 55.846 25.240 1.00 12.47 O ATOM 108 CB ALA E 15 68.214 52.806 24.333 1.00 11.13 C ATOM 109 N LEU E 16 66.176 55.166 23.743 1.00 9.79 N ATOM 110 CA LEU E 16 65.936 56.544 23.307 1.00 9.60 C ATOM 111 C LEU E 16 65.177 57.311 24.373 1.00 9.60 C ATOM 112 O LEU E 16 65.496 58.484 24.649 1.00 9.94 O ATOM 113 CB LEU E 16 65.130 56.612 21.992 1.00 10.28 C ATOM 114 CG LEU E 16 65.912 56.628 20.673 1.00 11.05 C ATOM 115 CD1 LEU E 16 66.544 58.002 20.473 1.00 11.08 C ATOM 116 CD2 LEU E 16 66.983 55.525 20.704 1.00 11.87 C ATOM 117 N HIS E 17 64.182 56.667 24.998 1.00 9.67 N ATOM 118 CA HIS E 17 63.402 57.336 26.021 1.00 8.54 C ATOM 119 C HIS E 17 64.328 57.776 27.169 1.00 8.22 C ATOM 120 O HIS E 17 64.155 58.911 27.677 1.00 10.68 O ATOM 121 CB HIS E 17 62.323 56.387 26.588 1.00 9.72 C ATOM 122 CG HIS E 17 61.331 55.948 25.555 1.00 9.67 C ATOM 123 ND1 HIS E 17 60.429 54.942 25.805 1.00 12.18 N ATOM 124 CD2 HIS E 17 61.114 56.360 24.288 1.00 8.96 C ATOM 125 CE1 HIS E 17 59.703 54.733 24.716 1.00 13.74 C ATOM 126 NE2 HIS E 17 60.096 55.582 23.776 1.00 9.17 N ATOM 127 N SER E 18 65.274 56.916 27.559 1.00 9.86 N ATOM 128 CA SER E 18 66.154 57.276 28.687 1.00 9.87 C ATOM 129 C SER E 18 67.125 58.413 28.333 1.00 10.44 C ATOM 130 O SER E 18 67.591 59.087 29.227 1.00 9.73 O ATOM 131 CB SER E 18 66.944 56.070 29.192 1.00 10.66 C ATOM 132 OG ASER E 18 66.118 55.004 29.555 0.50 12.74 O ATOM 133 OG BSER E 18 67.842 55.598 28.228 0.50 9.37 O ATOM 134 N GLN E 19 67.431 58.571 27.041 1.00 9.83 N ATOM 135 CA GLN E 19 68.239 59.724 26.563 1.00 9.35 C ATOM 136 C GLN E 19 67.424 61.007 26.552 1.00 9.85 C ATOM 137 O GLN E 19 68.011 62.081 26.424 1.00 9.71 O ATOM 138 CB GLN E 19 68.732 59.439 25.141 1.00 9.59 C ATOM 139 CG GLN E 19 69.799 58.321 25.012 1.00 9.37 C ATOM 140 CD GLN E 19 70.123 58.061 23.521 1.00 15.24 C ATOM 141 OE1 GLN E 19 70.360 58.988 22.811 1.00 21.27 O ATOM 142 NE2 GLN E 19 70.073 56.804 23.065 1.00 18.08 N ATOM 143 N GLY E 20 66.091 60.887 26.676 1.00 10.32 N ATOM 144 CA GLY E 20 65.185 62.028 26.729 1.00 10.39 C ATOM 145 C GLY E 20 64.398 62.244 25.447 1.00 11.13 C ATOM 146 O GLY E 20 63.795 63.317 25.267 1.00 12.69 O ATOM 147 N TYR E 21 64.410 61.238 24.553 1.00 10.20 N ATOM 148 CA TYR E 21 63.794 61.426 23.213 1.00 9.39 C ATOM 149 C TYR E 21 62.619 60.479 23.018 1.00 10.15 C ATOM 150 O TYR E 21 62.727 59.261 23.245 1.00 11.32 O ATOM 151 CB TYR E 21 64.861 61.228 22.104 1.00 9.93 C ATOM 152 CG TYR E 21 65.916 62.310 22.193 1.00 10.48 C ATOM 153 CD1 TYR E 21 65.595 63.636 21.867 1.00 11.41 C ATOM 154 CD2 TYR E 21 67.209 62.019 22.616 1.00 11.36 C ATOM 155 CE1 TYR E 21 66.530 64.655 21.981 1.00 13.26 C ATOM 156 CE2 TYR E 21 68.185 63.079 22.734 1.00 11.61 C ATOM 157 CZ TYR E 21 67.792 64.367 22.407 1.00 12.41 C ATOM 158 OH TYR E 21 68.684 65.419 22.505 1.00 14.51 O ATOM 159 N THR E 22 61.478 61.082 22.684 1.00 9.18 N ATOM 160 CA THR E 22 60.184 60.360 22.680 1.00 9.46 C ATOM 161 C THR E 22 59.358 60.751 21.462 1.00 9.34 C ATOM 162 O THR E 22 58.158 60.441 21.408 1.00 8.90 O ATOM 163 CB THR E 22 59.378 60.706 23.925 1.00 9.69 C ATOM 164 OG1 THR E 22 59.286 62.144 24.079 1.00 11.14 O ATOM 165 CG2 THR E 22 60.071 60.154 25.172 1.00 10.17 C ATOM 166 N GLY E 23 59.952 61.418 20.481 1.00 9.13 N ATOM 167 CA GLY E 23 59.209 61.792 19.282 1.00 10.11 C ATOM 168 C GLY E 23 58.538 63.154 19.354 1.00 9.89 C ATOM 169 O GLY E 23 57.714 63.453 18.479 1.00 9.92 O ATOM 170 N SER E 24 58.921 64.008 20.325 1.00 9.52 N ATOM 171 CA SER E 24 58.278 65.313 20.447 1.00 11.09 C ATOM 172 C SER E 24 58.405 66.116 19.179 1.00 11.68 C ATOM 173 O SER E 24 59.476 66.192 18.580 1.00 13.74 O ATOM 174 CB SER E 24 58.945 66.126 21.537 1.00 11.72 C ATOM 175 OG ASER E 24 58.810 65.509 22.773 0.67 12.94 O ATOM 176 OG BSER E 24 58.072 67.193 21.904 0.33 11.27 O ATOM 177 N ASN E 25 57.290 66.735 18.801 1.00 13.37 N ATOM 178 CA ASN E 25 57.217 67.646 17.659 1.00 15.07 C ATOM 179 C ASN E 25 57.346 66.960 16.312 1.00 15.23 C ATOM 180 O ASN E 25 57.469 67.630 15.303 1.00 19.37 O ATOM 181 CB ASN E 25 58.268 68.754 17.739 1.00 16.60 C ATOM 182 CG ASN E 25 58.107 69.598 18.966 1.00 23.96 C ATOM 183 OD1 ASN E 25 56.996 70.018 19.298 1.00 30.22 O ATOM 184 ND2 ASN E 25 59.218 69.829 19.675 1.00 31.44 N ATOM 185 N VAL E 26 57.322 65.633 16.289 1.00 11.80 N ATOM 186 CA VAL E 26 57.366 64.916 15.017 1.00 10.17 C ATOM 187 C VAL E 26 55.933 64.531 14.637 1.00 10.95 C ATOM 188 O VAL E 26 55.196 63.954 15.444 1.00 11.31 O ATOM 189 CB VAL E 26 58.224 63.637 15.112 1.00 9.77 C ATOM 190 CG1 VAL E 26 58.287 62.935 13.719 1.00 10.87 C ATOM 191 CG2 VAL E 26 59.654 63.990 15.625 1.00 11.45 C ATOM 192 N LYS E 27 55.564 64.885 13.419 1.00 10.68 N ATOM 193 CA LYS E 27 54.183 64.665 12.946 1.00 10.93 C ATOM 194 C LYS E 27 54.123 63.318 12.222 1.00 10.68 C ATOM 195 O LYS E 27 54.795 63.125 11.212 1.00 10.52 O ATOM 196 CB LYS E 27 53.739 65.812 12.013 1.00 10.86 C ATOM 197 CG LYS E 27 53.726 67.170 12.744 1.00 12.35 C ATOM 198 CD LYS E 27 53.198 68.248 11.759 1.00 17.95 C ATOM 199 CE LYS E 27 53.034 69.586 12.462 1.00 24.90 C ATOM 200 NZ LYS E 27 54.363 70.259 12.476 1.00 30.83 N ATOM 201 N VAL E 28 53.293 62.407 12.763 1.00 9.86 N ATOM 202 CA VAL E 28 53.151 61.064 12.160 1.00 9.71 C ATOM 203 C VAL E 28 51.704 60.882 11.744 1.00 9.88 C ATOM 204 O VAL E 28 50.781 60.948 12.583 1.00 10.80 O ATOM 205 CB VAL E 28 53.484 59.986 13.179 1.00 9.57 C ATOM 206 CG1 VAL E 28 53.402 58.608 12.498 1.00 11.75 C ATOM 207 CG2 VAL E 28 54.886 60.262 13.752 1.00 9.09 C ATOM 208 N ALA E 29 51.512 60.614 10.454 1.00 10.36 N ATOM 209 CA ALA E 29 50.174 60.314 9.930 1.00 10.76 C ATOM 210 C ALA E 29 49.979 58.795 9.945 1.00 10.47 C ATOM 211 O ALA E 29 50.727 58.061 9.292 1.00 11.65 O ATOM 212 CB ALA E 29 50.014 60.850 8.496 1.00 11.07 C ATOM 213 N VAL E 30 48.941 58.345 10.644 1.00 10.47 N ATOM 214 CA VAL E 30 48.537 56.934 10.600 1.00 10.22 C ATOM 215 C VAL E 30 47.428 56.893 9.535 1.00 9.62 C ATOM 216 O VAL E 30 46.311 57.349 9.769 1.00 11.45 O ATOM 217 CB VAL E 30 48.102 56.440 11.992 1.00 9.65 C ATOM 218 CG1 VAL E 30 47.504 55.034 11.897 1.00 10.35 C ATOM 219 CG2 VAL E 30 49.359 56.383 12.953 1.00 9.91 C ATOM 220 N ILE E 31 47.782 56.373 8.362 1.00 10.65 N ATOM 221 CA ILE E 31 46.902 56.357 7.180 1.00 10.72 C ATOM 222 C ILE E 31 46.241 54.982 7.281 1.00 10.04 C ATOM 223 O ILE E 31 46.892 53.965 7.048 1.00 10.46 O ATOM 224 CB ILE E 31 47.726 56.558 5.901 1.00 10.48 C ATOM 225 CG1 ILE E 31 48.297 58.002 5.888 1.00 11.81 C ATOM 226 CG2 ILE E 31 46.802 56.366 4.686 1.00 11.19 C ATOM 227 CD1 ILE E 31 48.918 58.419 4.505 1.00 11.64 C ATOM 228 N ASP E 32 44.975 54.983 7.708 1.00 10.45 N ATOM 229 CA ASP E 32 44.388 53.719 8.197 1.00 10.61 C ATOM 230 C ASP E 32 42.868 53.895 8.376 1.00 10.98 C ATOM 231 O ASP E 32 42.240 54.681 7.646 1.00 11.18 O ATOM 232 CB ASP E 32 45.086 53.385 9.534 1.00 10.40 C ATOM 233 CG ASP E 32 45.193 51.889 9.796 1.00 11.99 C ATOM 234 OD1 ASP E 32 44.097 51.273 9.953 1.00 10.81 O ATOM 235 OD2 ASP E 32 46.297 51.287 9.893 1.00 12.38 O ATOM 236 N SER E 33 42.288 53.176 9.336 1.00 10.66 N ATOM 237 CA SER E 33 40.835 53.203 9.530 1.00 11.05 C ATOM 238 C SER E 33 40.326 54.264 10.480 1.00 11.70 C ATOM 239 O SER E 33 39.151 54.211 10.910 1.00 13.42 O ATOM 240 CB SER E 33 40.377 51.787 9.981 1.00 12.41 C ATOM 241 OG SER E 33 40.772 51.531 11.358 1.00 12.42 O ATOM 242 N GLY E 34 41.161 55.271 10.786 1.00 10.91 N ATOM 243 CA GLY E 34 40.784 56.253 11.784 1.00 11.90 C ATOM 244 C GLY E 34 41.547 55.981 13.086 1.00 11.91 C ATOM 245 O GLY E 34 42.305 54.999 13.186 1.00 13.06 O ATOM 246 N ILE E 35 41.366 56.869 14.055 1.00 10.84 N ATOM 247 CA ILE E 35 41.939 56.617 15.396 1.00 11.11 C ATOM 248 C ILE E 35 40.902 57.075 16.402 1.00 12.79 C ATOM 249 O ILE E 35 40.416 58.199 16.316 1.00 14.29 O ATOM 250 CB ILE E 35 43.257 57.430 15.652 1.00 11.32 C ATOM 251 CG1 ILE E 35 44.321 57.183 14.564 1.00 10.66 C ATOM 252 CG2 ILE E 35 43.820 57.062 17.039 1.00 10.50 C ATOM 253 CD1 ILE E 35 45.525 58.110 14.722 1.00 12.06 C ATOM 254 N ASP E 36 40.574 56.235 17.369 1.00 13.00 N ATOM 255 CA ASP E 36 39.654 56.634 18.418 1.00 12.99 C ATOM 256 C ASP E 36 40.282 57.688 19.346 1.00 14.57 C ATOM 257 O ASP E 36 41.049 57.369 20.253 1.00 13.90 O ATOM 258 CB ASP E 36 39.216 55.412 19.220 1.00 13.40 C ATOM 259 CG ASP E 36 38.231 55.765 20.318 1.00 16.55 C ATOM 260 OD1 ASP E 36 37.834 56.955 20.446 1.00 16.81 O ATOM 261 OD2 ASP E 36 37.790 54.904 21.086 1.00 22.27 O ATOM 262 N SER E 37 39.918 58.941 19.121 1.00 15.39 N ATOM 263 CA SER E 37 40.549 60.053 19.845 1.00 16.56 C ATOM 264 C SER E 37 40.084 60.149 21.284 1.00 17.03 C ATOM 265 O SER E 37 40.714 60.873 22.042 1.00 19.84 O ATOM 266 CB SER E 37 40.279 61.393 19.143 1.00 18.06 C ATOM 267 OG SER E 37 38.886 61.674 19.125 1.00 19.71 O ATOM 268 N SER E 38 39.032 59.413 21.656 1.00 15.02 N ATOM 269 CA SER E 38 38.577 59.391 23.063 1.00 14.76 C ATOM 270 C SER E 38 39.386 58.441 23.926 1.00 13.94 C ATOM 271 O SER E 38 39.171 58.409 25.138 1.00 14.19 O ATOM 272 CB SER E 38 37.093 58.982 23.179 1.00 14.21 C ATOM 273 OG ASER E 38 36.915 57.633 22.799 0.50 16.49 O ATOM 274 OG BSER E 38 36.232 59.998 22.680 0.50 16.34 O ATOM 275 N HIS E 39 40.320 57.684 23.336 1.00 11.39 N ATOM 276 CA HIS E 39 41.064 56.716 24.146 1.00 10.95 C ATOM 277 C HIS E 39 41.984 57.492 25.100 1.00 10.86 C ATOM 278 O HIS E 39 42.737 58.327 24.619 1.00 11.69 O ATOM 279 CB HIS E 39 41.916 55.805 23.259 1.00 10.45 C ATOM 280 CG HIS E 39 42.316 54.538 23.947 1.00 10.72 C ATOM 281 ND1 HIS E 39 43.162 54.510 25.044 1.00 10.15 N ATOM 282 CD2 HIS E 39 41.958 53.249 23.704 1.00 9.36 C ATOM 283 CE1 HIS E 39 43.291 53.252 25.450 1.00 10.32 C ATOM 284 NE2 HIS E 39 42.597 52.472 24.637 1.00 10.88 N ATOM 285 N PRO E 40 41.995 57.196 26.398 1.00 10.60 N ATOM 286 CA PRO E 40 42.824 57.972 27.334 1.00 10.70 C ATOM 287 C PRO E 40 44.311 57.677 27.180 1.00 11.12 C ATOM 288 O PRO E 40 45.123 58.432 27.714 1.00 12.36 O ATOM 289 CB PRO E 40 42.358 57.504 28.705 1.00 10.49 C ATOM 290 CG PRO E 40 41.867 56.127 28.484 1.00 11.31 C ATOM 291 CD PRO E 40 41.192 56.169 27.099 1.00 11.09 C ATOM 292 N ASP E 41 44.665 56.630 26.446 1.00 10.47 N ATOM 293 CA ASP E 41 46.099 56.352 26.244 1.00 9.85 C ATOM 294 C ASP E 41 46.598 56.868 24.895 1.00 10.10 C ATOM 295 O ASP E 41 47.679 56.480 24.466 1.00 9.30 O ATOM 296 CB ASP E 41 46.356 54.854 26.415 1.00 10.29 C ATOM 297 CG ASP E 41 47.789 54.540 26.804 1.00 11.66 C ATOM 298 OD1 ASP E 41 48.412 55.376 27.489 1.00 10.72 O ATOM 299 OD2 ASP E 41 48.315 53.432 26.451 1.00 11.72 O ATOM 300 N LEU E 42 45.815 57.735 24.235 1.00 9.96 N ATOM 301 CA LEU E 42 46.231 58.348 22.948 1.00 10.94 C ATOM 302 C LEU E 42 45.957 59.832 22.975 1.00 12.22 C ATOM 303 O LEU E 42 44.994 60.313 23.627 1.00 12.83 O ATOM 304 CB LEU E 42 45.453 57.723 21.755 1.00 11.02 C ATOM 305 CG LEU E 42 45.638 56.231 21.501 1.00 10.15 C ATOM 306 CD1 LEU E 42 44.723 55.748 20.366 1.00 9.79 C ATOM 307 CD2 LEU E 42 47.112 55.960 21.115 1.00 12.39 C ATOM 308 N LYS E 43 46.773 60.579 22.259 1.00 12.27 N ATOM 309 CA LYS E 43 46.457 62.001 22.028 1.00 12.32 C ATOM 310 C LYS E 43 46.520 62.235 20.529 1.00 13.07 C ATOM 311 O LYS E 43 47.594 62.157 19.920 1.00 15.11 O ATOM 312 CB LYS E 43 47.450 62.911 22.781 1.00 13.57 C ATOM 313 CG LYS E 43 47.129 64.408 22.505 1.00 15.59 C ATOM 314 CD LYS E 43 48.267 65.253 23.084 1.00 25.19 C ATOM 315 CE LYS E 43 47.878 66.695 23.365 1.00 32.04 C ATOM 316 NZ LYS E 43 49.074 67.429 23.922 1.00 34.74 N ATOM 317 N VAL E 44 45.364 62.458 19.920 1.00 12.36 N ATOM 318 CA VAL E 44 45.318 62.706 18.472 1.00 13.03 C ATOM 319 C VAL E 44 45.397 64.220 18.218 1.00 14.05 C ATOM 320 O VAL E 44 44.550 64.962 18.725 1.00 14.31 O ATOM 321 CB VAL E 44 44.046 62.094 17.865 1.00 13.70 C ATOM 322 CG1 VAL E 44 44.002 62.346 16.354 1.00 14.80 C ATOM 323 CG2 VAL E 44 43.987 60.591 18.150 1.00 14.58 C ATOM 324 N ALA E 45 46.378 64.655 17.425 1.00 12.85 N ATOM 325 CA ALA E 45 46.631 66.076 17.199 1.00 14.23 C ATOM 326 C ALA E 45 45.769 66.648 16.058 1.00 15.44 C ATOM 327 O ALA E 45 45.596 67.868 15.976 1.00 16.75 O ATOM 328 CB ALA E 45 48.123 66.287 16.868 1.00 14.29 C ATOM 329 N GLY E 46 45.273 65.799 15.159 1.00 14.38 N ATOM 330 CA GLY E 46 44.593 66.295 13.966 1.00 14.62 C ATOM 331 C GLY E 46 44.323 65.142 13.028 1.00 14.15 C ATOM 332 O GLY E 46 44.525 63.970 13.390 1.00 13.53 O ATOM 333 N GLY E 47 43.845 65.460 11.835 1.00 13.72 N ATOM 334 CA GLY E 47 43.567 64.412 10.867 1.00 13.82 C ATOM 335 C GLY E 47 42.470 64.834 9.910 1.00 14.80 C ATOM 336 O GLY E 47 42.009 65.988 9.911 1.00 16.02 O ATOM 337 N ALA E 48 42.089 63.892 9.081 1.00 14.12 N ATOM 338 CA ALA E 48 41.091 64.147 8.023 1.00 14.12 C ATOM 339 C ALA E 48 40.621 62.805 7.544 1.00 14.57 C ATOM 340 O ALA E 48 41.384 61.841 7.566 1.00 14.02 O ATOM 341 CB ALA E 48 41.731 64.906 6.863 1.00 14.81 C ATOM 342 N SER E 49 39.369 62.734 7.056 1.00 14.58 N ATOM 343 CA SER E 49 38.879 61.494 6.468 1.00 15.19 C ATOM 344 C SER E 49 38.680 61.592 4.962 1.00 15.84 C ATOM 345 O SER E 49 38.071 62.567 4.473 1.00 17.60 O ATOM 346 CB SER E 49 37.522 61.093 7.066 1.00 15.76 C ATOM 347 OG SER E 49 37.067 59.938 6.362 1.00 15.63 O ATOM 348 N MET E 50 39.180 60.592 4.258 1.00 15.11 N ATOM 349 CA MET E 50 39.000 60.434 2.797 1.00 16.19 C ATOM 350 C MET E 50 37.916 59.398 2.436 1.00 17.38 C ATOM 351 O MET E 50 37.751 59.048 1.254 1.00 19.13 O ATOM 352 CB MET E 50 40.317 59.982 2.184 1.00 16.05 C ATOM 353 CG MET E 50 41.520 60.843 2.583 1.00 16.89 C ATOM 354 SD MET E 50 41.278 62.605 2.231 1.00 20.51 S ATOM 355 CE MET E 50 42.093 63.325 3.690 1.00 23.21 C ATOM 356 N VAL E 51 37.231 58.865 3.444 1.00 16.82 N ATOM 357 CA VAL E 51 36.215 57.848 3.223 1.00 19.00 C ATOM 358 C VAL E 51 34.871 58.544 3.042 1.00 19.55 C ATOM 359 O VAL E 51 34.365 59.142 3.989 1.00 18.72 O ATOM 360 CB VAL E 51 36.170 56.832 4.400 1.00 18.86 C ATOM 361 CG1 VAL E 51 35.032 55.792 4.208 1.00 18.95 C ATOM 362 CG2 VAL E 51 37.531 56.092 4.516 1.00 16.26 C ATOM 363 N PRO E 52 34.290 58.480 1.827 1.00 21.09 N ATOM 364 CA PRO E 52 33.073 59.260 1.558 1.00 22.39 C ATOM 365 C PRO E 52 31.939 59.040 2.570 1.00 22.19 C ATOM 366 O PRO E 52 31.295 60.006 2.962 1.00 22.84 O ATOM 367 CB PRO E 52 32.674 58.808 0.142 1.00 22.87 C ATOM 368 CG PRO E 52 33.961 58.401 -0.479 1.00 22.75 C ATOM 369 CD PRO E 52 34.756 57.746 0.640 1.00 20.87 C ATOM 370 N SER E 53 31.709 57.812 3.011 1.00 22.80 N ATOM 371 CA SER E 53 30.591 57.586 3.923 1.00 24.35 C ATOM 372 C SER E 53 30.934 57.586 5.427 1.00 24.60 C ATOM 373 O SER E 53 30.053 57.354 6.278 1.00 24.43 O ATOM 374 CB SER E 53 29.856 56.307 3.531 1.00 25.83 C ATOM 375 OG SER E 53 30.655 55.188 3.833 1.00 30.01 O ATOM 376 N GLU E 54 32.208 57.851 5.760 1.00 23.57 N ATOM 377 CA GLU E 54 32.632 57.923 7.162 1.00 23.34 C ATOM 378 C GLU E 54 33.501 59.155 7.314 1.00 22.89 C ATOM 379 O GLU E 54 34.724 59.064 7.182 1.00 22.45 O ATOM 380 CB GLU E 54 33.453 56.696 7.553 1.00 23.70 C ATOM 381 CG GLU E 54 32.670 55.399 7.547 1.00 25.19 C ATOM 382 CD GLU E 54 33.483 54.209 8.051 1.00 27.07 C ATOM 383 OE1 GLU E 54 34.392 54.404 8.893 1.00 29.13 O ATOM 384 OE2 GLU E 54 33.194 53.089 7.610 1.00 28.87 O ATOM 385 N THR E 55 32.881 60.296 7.570 1.00 21.94 N ATOM 386 CA THR E 55 33.565 61.570 7.482 1.00 22.39 C ATOM 387 C THR E 55 34.374 61.954 8.706 1.00 20.72 C ATOM 388 O THR E 55 35.078 62.980 8.662 1.00 21.91 O ATOM 389 CB THR E 55 32.564 62.727 7.185 1.00 22.75 C ATOM 390 OG1 THR E 55 31.579 62.766 8.231 1.00 23.18 O ATOM 391 CG2 THR E 55 31.805 62.459 5.881 1.00 24.96 C ATOM 392 N ASN E 56 34.274 61.173 9.791 1.00 19.89 N ATOM 393 CA ASN E 56 34.955 61.545 11.033 1.00 18.84 C ATOM 394 C ASN E 56 36.225 60.689 11.217 1.00 17.32 C ATOM 395 O ASN E 56 36.105 59.488 11.462 1.00 16.91 O ATOM 396 CB ASN E 56 34.050 61.338 12.243 1.00 19.74 C ATOM 397 CG ASN E 56 34.664 61.899 13.528 1.00 20.46 C ATOM 398 OD1 ASN E 56 35.838 62.280 13.570 1.00 17.94 O ATOM 399 ND2 ASN E 56 33.856 61.996 14.572 1.00 24.98 N ATOM 400 N PRO E 57 37.423 61.269 11.055 1.00 15.56 N ATOM 401 CA PRO E 57 38.636 60.426 11.183 1.00 15.47 C ATOM 402 C PRO E 57 38.904 60.014 12.634 1.00 15.69 C ATOM 403 O PRO E 57 39.799 59.163 12.838 1.00 13.78 O ATOM 404 CB PRO E 57 39.756 61.337 10.685 1.00 15.11 C ATOM 405 CG PRO E 57 39.242 62.750 11.027 1.00 15.40 C ATOM 406 CD PRO E 57 37.754 62.686 10.799 1.00 15.19 C ATOM 407 N PHE E 58 38.188 60.623 13.587 1.00 15.72 N ATOM 408 CA PHE E 58 38.405 60.373 15.017 1.00 15.72 C ATOM 409 C PHE E 58 37.481 59.324 15.581 1.00 15.96 C ATOM 410 O PHE E 58 37.463 59.069 16.775 1.00 16.74 O ATOM 411 CB PHE E 58 38.305 61.683 15.764 1.00 14.74 C ATOM 412 CG PHE E 58 39.143 62.778 15.135 1.00 18.12 C ATOM 413 CD1 PHE E 58 40.517 62.611 14.944 1.00 17.56 C ATOM 414 CD2 PHE E 58 38.542 63.940 14.670 1.00 18.48 C ATOM 415 CE1 PHE E 58 41.281 63.621 14.361 1.00 17.14 C ATOM 416 CE2 PHE E 58 39.299 64.957 14.072 1.00 18.26 C ATOM 417 CZ PHE E 58 40.670 64.809 13.915 1.00 18.63 C ATOM 418 N GLN E 59 36.731 58.700 14.682 1.00 16.79 N ATOM 419 CA GLN E 59 35.909 57.561 15.000 1.00 18.03 C ATOM 420 C GLN E 59 36.482 56.396 14.212 1.00 18.45 C ATOM 421 O GLN E 59 36.536 56.443 12.965 1.00 19.81 O ATOM 422 CB GLN E 59 34.456 57.830 14.560 1.00 18.98 C ATOM 423 CG GLN E 59 33.571 56.641 14.850 1.00 24.82 C ATOM 424 CD GLN E 59 32.107 56.979 14.762 1.00 33.04 C ATOM 425 OE1 GLN E 59 31.688 58.079 15.149 1.00 38.69 O ATOM 426 NE2 GLN E 59 31.314 56.037 14.266 1.00 35.66 N ATOM 427 N ASP E 60 36.910 55.356 14.921 1.00 15.51 N ATOM 428 CA ASP E 60 37.482 54.217 14.273 1.00 15.23 C ATOM 429 C ASP E 60 36.509 53.047 14.395 1.00 16.25 C ATOM 430 O ASP E 60 36.414 52.423 15.433 1.00 17.16 O ATOM 431 CB ASP E 60 38.856 53.894 14.927 1.00 14.84 C ATOM 432 CG ASP E 60 39.447 52.589 14.419 1.00 15.36 C ATOM 433 OD1 ASP E 60 38.938 52.005 13.412 1.00 14.29 O ATOM 434 OD2 ASP E 60 40.467 52.092 14.934 1.00 13.52 O ATOM 435 N ASN E 61 35.761 52.810 13.313 1.00 16.97 N ATOM 436 CA ASN E 61 34.723 51.798 13.289 1.00 18.68 C ATOM 437 C ASN E 61 35.255 50.405 13.022 1.00 18.58 C ATOM 438 O ASN E 61 34.494 49.435 12.982 1.00 20.54 O ATOM 439 CB ASN E 61 33.709 52.190 12.195 1.00 19.29 C ATOM 440 CG ASN E 61 32.991 53.456 12.529 1.00 21.48 C ATOM 441 OD1 ASN E 61 32.466 53.606 13.633 1.00 26.31 O ATOM 442 ND2 ASN E 61 32.972 54.396 11.585 1.00 25.74 N ATOM 443 N ASN E 62 36.569 50.280 12.820 1.00 16.34 N ATOM 444 CA ASN E 62 37.162 48.985 12.523 1.00 15.77 C ATOM 445 C ASN E 62 37.976 48.430 13.714 1.00 15.51 C ATOM 446 O ASN E 62 37.884 47.246 14.046 1.00 18.13 O ATOM 447 CB ASN E 62 38.060 49.108 11.264 1.00 15.91 C ATOM 448 CG ASN E 62 38.765 47.827 10.932 1.00 18.15 C ATOM 449 OD1 ASN E 62 39.746 47.477 11.571 1.00 17.94 O ATOM 450 ND2 ASN E 62 38.213 47.045 9.987 1.00 21.94 N ATOM 451 N SER E 63 38.795 49.313 14.298 1.00 14.23 N ATOM 452 CA SER E 63 39.708 49.051 15.451 1.00 13.27 C ATOM 453 C SER E 63 41.178 49.056 15.053 1.00 12.02 C ATOM 454 O SER E 63 42.042 49.325 15.893 1.00 13.00 O ATOM 455 CB SER E 63 39.395 47.753 16.245 1.00 13.85 C ATOM 456 OG ASER E 63 40.037 46.618 15.703 0.50 11.43 O ATOM 457 OG BSER E 63 38.081 47.823 16.780 0.50 16.21 O ATOM 458 N HIS E 64 41.454 48.785 13.790 1.00 11.80 N ATOM 459 CA HIS E 64 42.808 48.495 13.344 1.00 10.89 C ATOM 460 C HIS E 64 43.636 49.784 13.458 1.00 10.69 C ATOM 461 O HIS E 64 44.767 49.707 13.982 1.00 10.95 O ATOM 462 CB HIS E 64 42.729 47.988 11.886 1.00 11.74 C ATOM 463 CG HIS E 64 44.040 47.731 11.235 1.00 11.13 C ATOM 464 ND1 HIS E 64 44.730 48.703 10.549 1.00 11.44 N ATOM 465 CD2 HIS E 64 44.757 46.585 11.101 1.00 10.65 C ATOM 466 CE1 HIS E 64 45.830 48.170 10.031 1.00 10.33 C ATOM 467 NE2 HIS E 64 45.869 46.891 10.354 1.00 12.86 N ATOM 468 N GLY E 65 43.153 50.914 12.961 1.00 10.83 N ATOM 469 CA GLY E 65 43.928 52.163 13.043 1.00 10.44 C ATOM 470 C GLY E 65 44.291 52.558 14.463 1.00 10.63 C ATOM 471 O GLY E 65 45.359 53.156 14.708 1.00 10.92 O ATOM 472 N THR E 66 43.366 52.327 15.383 1.00 10.63 N ATOM 473 CA THR E 66 43.613 52.657 16.780 1.00 10.26 C ATOM 474 C THR E 66 44.740 51.771 17.366 1.00 10.58 C ATOM 475 O THR E 66 45.605 52.270 18.133 1.00 9.42 O ATOM 476 CB THR E 66 42.298 52.488 17.559 1.00 11.08 C ATOM 477 OG1 THR E 66 41.348 53.453 17.089 1.00 12.54 O ATOM 478 CG2 THR E 66 42.512 52.804 19.075 1.00 11.01 C ATOM 479 N HIS E 67 44.776 50.499 16.982 1.00 9.89 N ATOM 480 CA HIS E 67 45.808 49.600 17.468 1.00 9.44 C ATOM 481 C HIS E 67 47.175 50.047 16.889 1.00 9.55 C ATOM 482 O HIS E 67 48.190 50.178 17.625 1.00 9.23 O ATOM 483 CB HIS E 67 45.437 48.168 17.062 1.00 9.30 C ATOM 484 CG HIS E 67 46.278 47.134 17.735 1.00 8.87 C ATOM 485 ND1 HIS E 67 47.558 46.815 17.323 1.00 10.04 N ATOM 486 CD2 HIS E 67 46.008 46.338 18.796 1.00 8.05 C ATOM 487 CE1 HIS E 67 48.042 45.871 18.110 1.00 8.92 C ATOM 488 NE2 HIS E 67 47.116 45.554 19.006 1.00 9.70 N ATOM 489 N VAL E 68 47.202 50.274 15.570 1.00 9.31 N ATOM 490 CA VAL E 68 48.414 50.763 14.933 1.00 8.37 C ATOM 491 C VAL E 68 48.887 52.051 15.587 1.00 9.31 C ATOM 492 O VAL E 68 50.110 52.210 15.875 1.00 8.80 O ATOM 493 CB VAL E 68 48.162 50.972 13.419 1.00 8.38 C ATOM 494 CG1 VAL E 68 49.347 51.725 12.721 1.00 9.71 C ATOM 495 CG2 VAL E 68 47.924 49.586 12.765 1.00 9.46 C ATOM 496 N ALA E 69 47.955 52.976 15.827 1.00 9.35 N ATOM 497 CA ALA E 69 48.349 54.248 16.444 1.00 9.58 C ATOM 498 C ALA E 69 48.984 54.068 17.805 1.00 9.83 C ATOM 499 O ALA E 69 49.927 54.779 18.143 1.00 9.49 O ATOM 500 CB ALA E 69 47.129 55.170 16.549 1.00 9.58 C ATOM 501 N GLY E 70 48.446 53.155 18.624 1.00 9.35 N ATOM 502 CA GLY E 70 49.025 52.939 19.948 1.00 8.78 C ATOM 503 C GLY E 70 50.439 52.377 19.907 1.00 9.55 C ATOM 504 O GLY E 70 51.254 52.649 20.805 1.00 9.62 O ATOM 505 N THR E 71 50.760 51.587 18.890 1.00 9.13 N ATOM 506 CA THR E 71 52.148 51.135 18.770 1.00 7.66 C ATOM 507 C THR E 71 53.031 52.342 18.411 1.00 8.62 C ATOM 508 O THR E 71 54.137 52.469 18.973 1.00 8.73 O ATOM 509 CB THR E 71 52.245 50.013 17.708 1.00 7.90 C ATOM 510 OG1 THR E 71 51.514 48.866 18.205 1.00 9.32 O ATOM 511 CG2 THR E 71 53.730 49.563 17.545 1.00 9.03 C ATOM 512 N VAL E 72 52.577 53.224 17.497 1.00 7.49 N ATOM 513 CA VAL E 72 53.382 54.422 17.195 1.00 7.89 C ATOM 514 C VAL E 72 53.588 55.292 18.439 1.00 8.44 C ATOM 515 O VAL E 72 54.724 55.730 18.701 1.00 9.74 O ATOM 516 CB VAL E 72 52.723 55.271 16.115 1.00 8.06 C ATOM 517 CG1 VAL E 72 53.632 56.509 15.790 1.00 9.64 C ATOM 518 CG2 VAL E 72 52.532 54.429 14.852 1.00 8.96 C ATOM 519 N ALA E 73 52.500 55.561 19.166 1.00 9.20 N ATOM 520 CA ALA E 73 52.494 56.758 20.007 1.00 9.26 C ATOM 521 C ALA E 73 51.600 56.665 21.248 1.00 9.40 C ATOM 522 O ALA E 73 51.241 57.701 21.833 1.00 9.77 O ATOM 523 CB ALA E 73 52.110 58.008 19.167 1.00 10.77 C ATOM 524 N ALA E 74 51.277 55.454 21.733 1.00 8.66 N ATOM 525 CA ALA E 74 50.526 55.428 23.015 1.00 8.90 C ATOM 526 C ALA E 74 51.275 56.264 24.085 1.00 9.34 C ATOM 527 O ALA E 74 52.521 56.228 24.168 1.00 9.30 O ATOM 528 CB ALA E 74 50.266 53.994 23.501 1.00 8.23 C ATOM 529 N LEU E 75 50.499 56.975 24.894 1.00 9.24 N ATOM 530 CA LEU E 75 51.093 57.986 25.781 1.00 9.62 C ATOM 531 C LEU E 75 51.902 57.368 26.916 1.00 9.56 C ATOM 532 O LEU E 75 51.640 56.268 27.409 1.00 9.55 O ATOM 533 CB LEU E 75 49.975 58.810 26.439 1.00 9.51 C ATOM 534 CG LEU E 75 49.177 59.640 25.415 1.00 9.66 C ATOM 535 CD1 LEU E 75 47.944 60.230 26.137 1.00 10.71 C ATOM 536 CD2 LEU E 75 50.041 60.755 24.815 1.00 10.01 C ATOM 537 N ASN E 76 52.912 58.130 27.326 1.00 9.75 N ATOM 538 CA ASN E 76 53.734 57.792 28.482 1.00 10.15 C ATOM 539 C ASN E 76 53.091 58.368 29.759 1.00 10.70 C ATOM 540 O ASN E 76 53.091 59.589 30.011 1.00 12.05 O ATOM 541 CB ASN E 76 55.147 58.392 28.299 1.00 9.73 C ATOM 542 CG ASN E 76 56.077 58.002 29.445 1.00 12.22 C ATOM 543 OD1 ASN E 76 55.868 56.980 30.103 1.00 11.03 O ATOM 544 ND2 ASN E 76 57.154 58.806 29.672 1.00 12.55 N ATOM 545 N ASN E 77 52.484 57.468 30.531 1.00 10.46 N ATOM 546 CA ASN E 77 51.694 57.853 31.698 1.00 10.15 C ATOM 547 C ASN E 77 51.602 56.619 32.593 1.00 10.67 C ATOM 548 O ASN E 77 52.473 55.754 32.527 1.00 10.68 O ATOM 549 CB ASN E 77 50.340 58.409 31.238 1.00 10.54 C ATOM 550 CG ASN E 77 49.595 57.429 30.351 1.00 10.60 C ATOM 551 OD1 ASN E 77 49.920 56.233 30.342 1.00 9.45 O ATOM 552 ND2 ASN E 77 48.609 57.927 29.578 1.00 12.05 N ATOM 553 N SER E 78 50.598 56.543 33.480 1.00 10.85 N ATOM 554 CA SER E 78 50.482 55.402 34.367 1.00 11.27 C ATOM 555 C SER E 78 49.392 54.420 33.931 1.00 10.98 C ATOM 556 O SER E 78 48.908 53.585 34.727 1.00 12.18 O ATOM 557 CB SER E 78 50.280 55.879 35.834 1.00 12.13 C ATOM 558 OG SER E 78 49.025 56.574 35.935 1.00 15.70 O ATOM 559 N ILE E 79 49.044 54.456 32.640 1.00 10.87 N ATOM 560 CA ILE E 79 48.003 53.544 32.159 1.00 12.29 C ATOM 561 C ILE E 79 48.370 52.800 30.878 1.00 11.22 C ATOM 562 O ILE E 79 49.203 53.255 30.081 1.00 11.08 O ATOM 563 CB ILE E 79 46.660 54.292 31.926 1.00 13.87 C ATOM 564 CG1 ILE E 79 46.801 55.340 30.854 1.00 12.67 C ATOM 565 CG2 ILE E 79 46.150 54.944 33.239 1.00 13.97 C ATOM 566 CD1 ILE E 79 45.410 55.764 30.211 1.00 16.22 C ATOM 567 N GLY E 80 47.685 51.659 30.689 1.00 10.70 N ATOM 568 CA GLY E 80 47.699 50.980 29.411 1.00 10.30 C ATOM 569 C GLY E 80 49.087 50.605 28.964 1.00 10.43 C ATOM 570 O GLY E 80 49.864 50.061 29.730 1.00 11.77 O ATOM 571 N VAL E 81 49.337 50.859 27.692 1.00 10.26 N ATOM 572 CA VAL E 81 50.638 50.571 27.100 1.00 9.54 C ATOM 573 C VAL E 81 51.428 51.847 26.896 1.00 9.60 C ATOM 574 O VAL E 81 50.876 52.949 26.915 1.00 11.95 O ATOM 575 CB VAL E 81 50.473 49.832 25.730 1.00 9.66 C ATOM 576 CG1 VAL E 81 49.843 48.450 25.928 1.00 10.97 C ATOM 577 CG2 VAL E 81 49.549 50.615 24.786 1.00 10.28 C ATOM 578 N LEU E 82 52.714 51.670 26.684 1.00 10.66 N ATOM 579 CA LEU E 82 53.623 52.750 26.258 1.00 10.17 C ATOM 580 C LEU E 82 53.885 52.593 24.771 1.00 10.36 C ATOM 581 O LEU E 82 54.160 51.455 24.301 1.00 11.13 O ATOM 582 CB LEU E 82 54.951 52.609 27.025 1.00 9.42 C ATOM 583 CG LEU E 82 56.078 53.607 26.662 1.00 10.16 C ATOM 584 CD1 LEU E 82 55.641 55.026 26.999 1.00 10.46 C ATOM 585 CD2 LEU E 82 57.396 53.209 27.420 1.00 10.34 C ATOM 586 N GLY E 83 53.844 53.696 24.028 1.00 9.47 N ATOM 587 CA GLY E 83 54.123 53.695 22.585 1.00 9.41 C ATOM 588 C GLY E 83 55.608 53.803 22.290 1.00 9.24 C ATOM 589 O GLY E 83 56.405 54.132 23.166 1.00 9.48 O ATOM 590 N VAL E 84 55.973 53.555 21.035 1.00 8.43 N ATOM 591 CA VAL E 84 57.374 53.708 20.639 1.00 8.64 C ATOM 592 C VAL E 84 57.815 55.167 20.764 1.00 9.10 C ATOM 593 O VAL E 84 58.912 55.442 21.248 1.00 9.48 O ATOM 594 CB VAL E 84 57.594 53.215 19.216 1.00 8.67 C ATOM 595 CG1 VAL E 84 59.043 53.489 18.756 1.00 7.65 C ATOM 596 CG2 VAL E 84 57.418 51.643 19.176 1.00 8.88 C ATOM 597 N ALA E 85 56.963 56.078 20.304 1.00 9.45 N ATOM 598 CA ALA E 85 57.274 57.512 20.276 1.00 9.02 C ATOM 599 C ALA E 85 56.103 58.253 20.961 1.00 9.43 C ATOM 600 O ALA E 85 55.228 58.818 20.291 1.00 8.96 O ATOM 601 CB ALA E 85 57.424 57.986 18.771 1.00 9.41 C ATOM 602 N PRO E 86 56.076 58.158 22.298 1.00 9.08 N ATOM 603 CA PRO E 86 54.865 58.534 23.046 1.00 8.78 C ATOM 604 C PRO E 86 54.585 60.023 23.015 1.00 9.33 C ATOM 605 O PRO E 86 53.479 60.428 23.381 1.00 9.66 O ATOM 606 CB PRO E 86 55.151 58.033 24.468 1.00 10.66 C ATOM 607 CG PRO E 86 56.659 58.038 24.545 1.00 9.42 C ATOM 608 CD PRO E 86 57.126 57.570 23.164 1.00 9.19 C ATOM 609 N SER E 87 55.549 60.852 22.594 1.00 8.66 N ATOM 610 CA SER E 87 55.265 62.294 22.449 1.00 9.32 C ATOM 611 C SER E 87 54.996 62.721 21.017 1.00 9.38 C ATOM 612 O SER E 87 54.884 63.936 20.739 1.00 11.00 O ATOM 613 CB SER E 87 56.479 63.119 22.930 1.00 9.29 C ATOM 614 OG SER E 87 56.668 62.866 24.322 1.00 12.15 O ATOM 615 N ALA E 88 54.928 61.789 20.080 1.00 9.32 N ATOM 616 CA ALA E 88 54.691 62.217 18.695 1.00 9.22 C ATOM 617 C ALA E 88 53.365 62.921 18.512 1.00 10.69 C ATOM 618 O ALA E 88 52.413 62.670 19.246 1.00 11.94 O ATOM 619 CB ALA E 88 54.750 60.975 17.756 1.00 10.12 C ATOM 620 N SER E 89 53.296 63.790 17.513 1.00 10.19 N ATOM 621 CA SER E 89 52.041 64.454 17.124 1.00 10.94 C ATOM 622 C SER E 89 51.357 63.487 16.162 1.00 11.66 C ATOM 623 O SER E 89 51.830 63.279 15.030 1.00 11.19 O ATOM 624 CB SER E 89 52.362 65.781 16.440 1.00 12.55 C ATOM 625 OG SER E 89 52.902 66.672 17.418 1.00 13.60 O ATOM 626 N LEU E 90 50.261 62.896 16.622 1.00 11.37 N ATOM 627 CA LEU E 90 49.613 61.783 15.932 1.00 12.19 C ATOM 628 C LEU E 90 48.440 62.254 15.094 1.00 12.59 C ATOM 629 O LEU E 90 47.521 62.884 15.632 1.00 13.02 O ATOM 630 CB LEU E 90 49.146 60.787 17.006 1.00 13.33 C ATOM 631 CG LEU E 90 48.415 59.550 16.638 1.00 15.42 C ATOM 632 CD1 LEU E 90 49.386 58.613 15.853 1.00 15.81 C ATOM 633 CD2 LEU E 90 47.964 58.873 17.936 1.00 15.49 C ATOM 634 N TYR E 91 48.434 61.928 13.796 1.00 12.21 N ATOM 635 CA TYR E 91 47.355 62.368 12.913 1.00 11.47 C ATOM 636 C TYR E 91 46.558 61.183 12.374 1.00 12.65 C ATOM 637 O TYR E 91 47.140 60.216 11.860 1.00 12.42 O ATOM 638 CB TYR E 91 47.931 63.216 11.768 1.00 11.77 C ATOM 639 CG TYR E 91 48.468 64.507 12.288 1.00 11.91 C ATOM 640 CD1 TYR E 91 49.745 64.564 12.879 1.00 12.72 C ATOM 641 CD2 TYR E 91 47.684 65.661 12.255 1.00 13.70 C ATOM 642 CE1 TYR E 91 50.250 65.745 13.422 1.00 12.71 C ATOM 643 CE2 TYR E 91 48.174 66.854 12.813 1.00 12.82 C ATOM 644 CZ TYR E 91 49.469 66.887 13.354 1.00 14.08 C ATOM 645 OH TYR E 91 50.031 68.043 13.897 1.00 19.40 O ATOM 646 N ALA E 92 45.237 61.231 12.544 1.00 12.03 N ATOM 647 CA ALA E 92 44.342 60.184 12.022 1.00 11.84 C ATOM 648 C ALA E 92 43.951 60.538 10.587 1.00 12.35 C ATOM 649 O ALA E 92 43.148 61.471 10.375 1.00 13.25 O ATOM 650 CB ALA E 92 43.074 60.120 12.894 1.00 10.87 C ATOM 651 N VAL E 93 44.499 59.796 9.629 1.00 12.40 N ATOM 652 CA VAL E 93 44.187 60.016 8.214 1.00 12.46 C ATOM 653 C VAL E 93 43.411 58.796 7.783 1.00 12.74 C ATOM 654 O VAL E 93 43.968 57.748 7.461 1.00 12.64 O ATOM 655 CB VAL E 93 45.465 60.239 7.384 1.00 12.77 C ATOM 656 CG1 VAL E 93 45.100 60.456 5.896 1.00 13.43 C ATOM 657 CG2 VAL E 93 46.231 61.410 7.948 1.00 12.07 C ATOM 658 N LYS E 94 42.085 58.939 7.852 1.00 12.32 N ATOM 659 CA LYS E 94 41.183 57.807 7.630 1.00 13.20 C ATOM 660 C LYS E 94 40.980 57.590 6.117 1.00 13.58 C ATOM 661 O LYS E 94 40.388 58.449 5.443 1.00 14.06 O ATOM 662 CB LYS E 94 39.837 58.034 8.349 1.00 14.01 C ATOM 663 CG LYS E 94 38.914 56.833 8.169 1.00 15.18 C ATOM 664 CD LYS E 94 37.479 57.068 8.626 1.00 20.82 C ATOM 665 CE LYS E 94 37.274 56.773 10.037 1.00 25.62 C ATOM 666 NZ LYS E 94 35.761 56.669 10.335 1.00 23.31 N ATOM 667 N VAL E 95 41.442 56.452 5.632 1.00 11.75 N ATOM 668 CA VAL E 95 41.274 56.053 4.228 1.00 12.80 C ATOM 669 C VAL E 95 40.657 54.676 4.050 1.00 13.59 C ATOM 670 O VAL E 95 40.468 54.232 2.900 1.00 13.45 O ATOM 671 CB VAL E 95 42.636 56.074 3.491 1.00 12.74 C ATOM 672 CG1 VAL E 95 43.312 57.456 3.705 1.00 13.13 C ATOM 673 CG2 VAL E 95 43.567 54.912 3.978 1.00 11.85 C ATOM 674 N LEU E 96 40.362 54.014 5.170 1.00 14.01 N ATOM 675 CA LEU E 96 39.745 52.680 5.170 1.00 14.66 C ATOM 676 C LEU E 96 38.459 52.807 5.975 1.00 15.54 C ATOM 677 O LEU E 96 38.407 53.529 6.995 1.00 14.65 O ATOM 678 CB LEU E 96 40.665 51.627 5.838 1.00 14.19 C ATOM 679 CG LEU E 96 42.104 51.569 5.311 1.00 14.92 C ATOM 680 CD1 LEU E 96 42.918 50.556 6.116 1.00 13.45 C ATOM 681 CD2 LEU E 96 42.093 51.142 3.821 1.00 16.23 C ATOM 682 N GLY E 97 37.411 52.125 5.491 1.00 16.55 N ATOM 683 CA GLY E 97 36.145 52.118 6.200 1.00 17.82 C ATOM 684 C GLY E 97 36.054 51.032 7.250 1.00 20.02 C ATOM 685 O GLY E 97 37.037 50.314 7.543 1.00 19.26 O ATOM 686 N ALA E 98 34.855 50.892 7.817 1.00 19.02 N ATOM 687 CA ALA E 98 34.595 49.896 8.854 1.00 19.19 C ATOM 688 C ALA E 98 34.999 48.469 8.484 1.00 18.48 C ATOM 689 O ALA E 98 35.442 47.690 9.346 1.00 18.25 O ATOM 690 CB ALA E 98 33.105 49.950 9.262 1.00 19.15 C ATOM 691 N ASP E 99 34.896 48.122 7.201 1.00 17.97 N ATOM 692 CA ASP E 99 35.226 46.763 6.779 1.00 17.68 C ATOM 693 C ASP E 99 36.706 46.518 6.482 1.00 17.13 C ATOM 694 O ASP E 99 37.092 45.442 6.023 1.00 17.56 O ATOM 695 CB ASP E 99 34.330 46.300 5.610 1.00 18.80 C ATOM 696 CG ASP E 99 34.618 47.018 4.306 1.00 22.46 C ATOM 697 OD1 ASP E 99 35.600 47.818 4.215 1.00 20.62 O ATOM 698 OD2 ASP E 99 33.868 46.868 3.304 1.00 24.18 O ATOM 699 N GLY E 100 37.532 47.525 6.758 1.00 17.65 N ATOM 700 CA GLY E 100 38.966 47.353 6.602 1.00 16.55 C ATOM 701 C GLY E 100 39.496 47.637 5.212 1.00 16.44 C ATOM 702 O GLY E 100 40.661 47.400 4.957 1.00 15.34 O ATOM 703 N SER E 101 38.647 48.121 4.296 1.00 15.60 N ATOM 704 CA SER E 101 39.060 48.307 2.897 1.00 15.04 C ATOM 705 C SER E 101 38.877 49.766 2.462 1.00 14.63 C ATOM 706 O SER E 101 38.033 50.505 2.994 1.00 14.92 O ATOM 707 CB SER E 101 38.260 47.370 1.986 1.00 14.81 C ATOM 708 OG ASER E 101 36.989 47.951 1.777 0.67 13.06 O ATOM 709 OG BSER E 101 38.275 47.732 0.614 0.33 17.70 O ATOM 710 N GLY E 102 39.682 50.173 1.498 1.00 14.08 N ATOM 711 CA GLY E 102 39.511 51.466 0.860 1.00 15.10 C ATOM 712 C GLY E 102 39.872 51.407 -0.606 1.00 14.70 C ATOM 713 O GLY E 102 40.664 50.561 -1.068 1.00 15.57 O ATOM 714 N GLN E 103 39.299 52.341 -1.342 1.00 16.04 N ATOM 715 CA GLN E 103 39.659 52.516 -2.757 1.00 16.83 C ATOM 716 C GLN E 103 41.035 53.150 -2.881 1.00 17.12 C ATOM 717 O GLN E 103 41.427 53.959 -2.009 1.00 17.93 O ATOM 718 CB AGLN E 103 38.591 53.356 -3.464 0.67 17.93 C ATOM 719 CB BGLN E 103 38.639 53.446 -3.432 0.33 17.22 C ATOM 720 CG AGLN E 103 37.335 52.521 -3.702 0.67 21.18 C ATOM 721 CG BGLN E 103 37.256 52.832 -3.644 0.33 18.79 C ATOM 722 CD AGLN E 103 36.162 53.315 -4.195 0.67 25.31 C ATOM 723 CD BGLN E 103 37.266 51.676 -4.646 0.33 20.79 C ATOM 724 OE1AGLN E 103 36.324 54.316 -4.902 0.67 26.42 O ATOM 725 OE1BGLN E 103 37.940 51.737 -5.679 0.33 23.15 O ATOM 726 NE2AGLN E 103 34.965 52.873 -3.825 0.67 25.70 N ATOM 727 NE2BGLN E 103 36.522 50.624 -4.338 0.33 23.13 N ATOM 728 N TYR E 104 41.762 52.801 -3.949 1.00 16.49 N ATOM 729 CA TYR E 104 43.088 53.409 -4.188 1.00 16.53 C ATOM 730 C TYR E 104 43.036 54.945 -4.127 1.00 17.34 C ATOM 731 O TYR E 104 43.915 55.548 -3.528 1.00 15.85 O ATOM 732 CB TYR E 104 43.729 52.921 -5.520 1.00 15.97 C ATOM 733 CG TYR E 104 44.402 51.554 -5.439 1.00 18.47 C ATOM 734 CD1 TYR E 104 43.691 50.426 -4.988 1.00 20.78 C ATOM 735 CD2 TYR E 104 45.743 51.369 -5.825 1.00 19.81 C ATOM 736 CE1 TYR E 104 44.298 49.175 -4.920 1.00 19.95 C ATOM 737 CE2 TYR E 104 46.355 50.089 -5.749 1.00 22.01 C ATOM 738 CZ TYR E 104 45.619 49.012 -5.299 1.00 22.99 C ATOM 739 OH TYR E 104 46.175 47.746 -5.203 1.00 25.42 O ATOM 740 N SER E 105 42.021 55.581 -4.712 1.00 16.39 N ATOM 741 CA SER E 105 41.940 57.036 -4.665 1.00 18.02 C ATOM 742 C SER E 105 41.871 57.590 -3.235 1.00 17.07 C ATOM 743 O SER E 105 42.378 58.684 -2.985 1.00 17.41 O ATOM 744 CB SER E 105 40.760 57.586 -5.485 1.00 18.58 C ATOM 745 OG SER E 105 39.549 57.120 -4.946 1.00 19.77 O ATOM 746 N TRP E 106 41.220 56.865 -2.322 1.00 16.52 N ATOM 747 CA TRP E 106 41.132 57.295 -0.924 1.00 16.34 C ATOM 748 C TRP E 106 42.527 57.263 -0.291 1.00 15.66 C ATOM 749 O TRP E 106 42.906 58.200 0.422 1.00 14.91 O ATOM 750 CB TRP E 106 40.212 56.387 -0.119 1.00 15.97 C ATOM 751 CG TRP E 106 38.798 56.242 -0.683 1.00 18.25 C ATOM 752 CD1 TRP E 106 38.241 56.917 -1.772 1.00 19.54 C ATOM 753 CD2 TRP E 106 37.787 55.331 -0.217 1.00 17.59 C ATOM 754 NE1 TRP E 106 36.951 56.475 -1.963 1.00 19.79 N ATOM 755 CE2 TRP E 106 36.650 55.505 -1.042 1.00 19.41 C ATOM 756 CE3 TRP E 106 37.720 54.401 0.837 1.00 16.00 C ATOM 757 CZ2 TRP E 106 35.466 54.789 -0.852 1.00 19.76 C ATOM 758 CZ3 TRP E 106 36.539 53.677 1.032 1.00 20.47 C ATOM 759 CH2 TRP E 106 35.434 53.862 0.159 1.00 18.10 C ATOM 760 N ILE E 107 43.263 56.186 -0.535 1.00 15.21 N ATOM 761 CA ILE E 107 44.623 56.091 0.031 1.00 13.98 C ATOM 762 C ILE E 107 45.479 57.248 -0.531 1.00 14.41 C ATOM 763 O ILE E 107 46.190 57.959 0.219 1.00 14.19 O ATOM 764 CB ILE E 107 45.271 54.705 -0.260 1.00 14.74 C ATOM 765 CG1 ILE E 107 44.774 53.615 0.725 1.00 16.71 C ATOM 766 CG2 ILE E 107 46.790 54.748 -0.052 1.00 15.30 C ATOM 767 CD1 ILE E 107 43.271 53.343 0.721 1.00 17.79 C ATOM 768 N ILE E 108 45.393 57.470 -1.845 1.00 14.12 N ATOM 769 CA ILE E 108 46.175 58.524 -2.490 1.00 14.35 C ATOM 770 C ILE E 108 45.770 59.892 -1.937 1.00 14.42 C ATOM 771 O ILE E 108 46.647 60.729 -1.652 1.00 14.47 O ATOM 772 CB ILE E 108 45.961 58.454 -4.028 1.00 14.84 C ATOM 773 CG1 ILE E 108 46.714 57.233 -4.560 1.00 13.28 C ATOM 774 CG2 ILE E 108 46.445 59.760 -4.732 1.00 15.19 C ATOM 775 CD1 ILE E 108 46.155 56.767 -5.967 1.00 16.02 C ATOM 776 N ASN E 109 44.467 60.134 -1.782 1.00 14.31 N ATOM 777 CA ASN E 109 44.018 61.375 -1.169 1.00 14.88 C ATOM 778 C ASN E 109 44.608 61.566 0.250 1.00 15.10 C ATOM 779 O ASN E 109 44.971 62.683 0.631 1.00 14.51 O ATOM 780 CB ASN E 109 42.495 61.497 -1.144 1.00 15.65 C ATOM 781 CG ASN E 109 41.910 61.758 -2.523 1.00 18.92 C ATOM 782 OD1 ASN E 109 42.608 62.196 -3.418 1.00 21.64 O ATOM 783 ND2 ASN E 109 40.619 61.462 -2.691 1.00 20.71 N ATOM 784 N GLY E 110 44.724 60.469 1.006 1.00 14.27 N ATOM 785 CA GLY E 110 45.279 60.555 2.362 1.00 13.00 C ATOM 786 C GLY E 110 46.774 60.892 2.302 1.00 12.36 C ATOM 787 O GLY E 110 47.260 61.687 3.131 1.00 12.45 O ATOM 788 N ILE E 111 47.496 60.257 1.372 1.00 12.38 N ATOM 789 CA ILE E 111 48.913 60.561 1.206 1.00 12.80 C ATOM 790 C ILE E 111 49.102 62.047 0.813 1.00 13.65 C ATOM 791 O ILE E 111 49.962 62.751 1.371 1.00 13.20 O ATOM 792 CB ILE E 111 49.573 59.616 0.173 1.00 13.47 C ATOM 793 CG1 ILE E 111 49.587 58.172 0.693 1.00 12.04 C ATOM 794 CG2 ILE E 111 51.003 60.062 -0.171 1.00 13.67 C ATOM 795 CD1 ILE E 111 49.774 57.102 -0.462 1.00 13.18 C ATOM 796 N GLU E 112 48.289 62.526 -0.134 1.00 13.98 N ATOM 797 CA GLU E 112 48.343 63.950 -0.503 1.00 13.54 C ATOM 798 C GLU E 112 48.041 64.873 0.664 1.00 14.07 C ATOM 799 O GLU E 112 48.703 65.912 0.825 1.00 14.95 O ATOM 800 CB GLU E 112 47.383 64.247 -1.686 1.00 15.55 C ATOM 801 CG GLU E 112 47.797 63.517 -2.962 1.00 16.29 C ATOM 802 CD GLU E 112 48.933 64.182 -3.737 1.00 22.53 C ATOM 803 OE1 GLU E 112 49.546 65.163 -3.245 1.00 20.74 O ATOM 804 OE2 GLU E 112 49.205 63.723 -4.881 1.00 27.10 O ATOM 805 N TRP E 113 47.077 64.518 1.502 1.00 13.00 N ATOM 806 CA TRP E 113 46.770 65.317 2.695 1.00 12.90 C ATOM 807 C TRP E 113 48.008 65.367 3.592 1.00 13.53 C ATOM 808 O TRP E 113 48.384 66.402 4.134 1.00 13.31 O ATOM 809 CB TRP E 113 45.560 64.761 3.452 1.00 13.18 C ATOM 810 CG TRP E 113 45.154 65.577 4.639 1.00 14.79 C ATOM 811 CD1 TRP E 113 44.188 66.565 4.674 1.00 17.03 C ATOM 812 CD2 TRP E 113 45.728 65.547 5.962 1.00 15.12 C ATOM 813 NE1 TRP E 113 44.129 67.121 5.926 1.00 17.54 N ATOM 814 CE2 TRP E 113 45.051 66.507 6.738 1.00 15.35 C ATOM 815 CE3 TRP E 113 46.737 64.785 6.573 1.00 14.97 C ATOM 816 CZ2 TRP E 113 45.345 66.736 8.094 1.00 17.02 C ATOM 817 CZ3 TRP E 113 47.041 65.032 7.955 1.00 16.14 C ATOM 818 CH2 TRP E 113 46.349 65.992 8.671 1.00 16.39 C ATOM 819 N ALA E 114 48.630 64.207 3.774 1.00 11.84 N ATOM 820 CA ALA E 114 49.802 64.161 4.645 1.00 12.79 C ATOM 821 C ALA E 114 50.907 65.067 4.119 1.00 12.92 C ATOM 822 O ALA E 114 51.545 65.761 4.904 1.00 13.58 O ATOM 823 CB ALA E 114 50.275 62.713 4.799 1.00 12.48 C ATOM 824 N ILE E 115 51.143 65.060 2.796 1.00 13.67 N ATOM 825 CA ILE E 115 52.164 65.943 2.218 1.00 14.00 C ATOM 826 C ILE E 115 51.775 67.401 2.452 1.00 15.25 C ATOM 827 O ILE E 115 52.607 68.193 2.898 1.00 15.73 O ATOM 828 CB ILE E 115 52.348 65.659 0.711 1.00 13.78 C ATOM 829 CG1 ILE E 115 52.821 64.224 0.483 1.00 16.02 C ATOM 830 CG2 ILE E 115 53.383 66.653 0.093 1.00 14.63 C ATOM 831 CD1 ILE E 115 52.709 63.780 -1.011 1.00 15.16 C ATOM 832 N ALA E 116 50.508 67.731 2.206 1.00 14.00 N ATOM 833 CA ALA E 116 50.054 69.146 2.302 1.00 15.70 C ATOM 834 C ALA E 116 50.121 69.677 3.718 1.00 16.12 C ATOM 835 O ALA E 116 50.189 70.902 3.931 1.00 17.63 O ATOM 836 CB ALA E 116 48.609 69.280 1.781 1.00 15.95 C ATOM 837 N ASN E 117 50.018 68.762 4.685 1.00 14.37 N ATOM 838 CA ASN E 117 50.011 69.115 6.097 1.00 14.89 C ATOM 839 C ASN E 117 51.360 68.881 6.801 1.00 14.06 C ATOM 840 O ASN E 117 51.441 68.883 8.040 1.00 14.49 O ATOM 841 CB ASN E 117 48.837 68.430 6.787 1.00 14.29 C ATOM 842 CG ASN E 117 47.518 69.098 6.416 1.00 15.68 C ATOM 843 OD1 ASN E 117 47.072 70.024 7.114 1.00 21.12 O ATOM 844 ND2 ASN E 117 46.926 68.680 5.310 1.00 14.91 N ATOM 845 N ASN E 118 52.404 68.714 5.996 1.00 14.64 N ATOM 846 CA ASN E 118 53.782 68.652 6.476 1.00 14.12 C ATOM 847 C ASN E 118 54.060 67.529 7.469 1.00 14.37 C ATOM 848 O ASN E 118 54.749 67.703 8.463 1.00 14.63 O ATOM 849 CB ASN E 118 54.209 70.027 7.061 1.00 16.68 C ATOM 850 CG ASN E 118 54.050 71.153 6.027 1.00 19.41 C ATOM 851 OD1 ASN E 118 54.570 71.078 4.917 1.00 23.79 O ATOM 852 ND2 ASN E 118 53.308 72.185 6.393 1.00 26.53 N ATOM 853 N MET E 119 53.486 66.365 7.191 1.00 13.04 N ATOM 854 CA MET E 119 53.778 65.208 8.018 1.00 11.77 C ATOM 855 C MET E 119 55.225 64.821 7.830 1.00 12.08 C ATOM 856 O MET E 119 55.742 64.862 6.717 1.00 13.94 O ATOM 857 CB MET E 119 52.901 64.026 7.582 1.00 11.52 C ATOM 858 CG MET E 119 51.401 64.196 7.865 1.00 11.47 C ATOM 859 SD MET E 119 50.940 64.387 9.628 1.00 12.92 S ATOM 860 CE MET E 119 50.392 66.132 9.678 1.00 13.10 C ATOM 861 N ASP E 120 55.870 64.420 8.927 1.00 11.30 N ATOM 862 CA ASP E 120 57.242 63.935 8.874 1.00 10.95 C ATOM 863 C ASP E 120 57.339 62.448 8.550 1.00 10.11 C ATOM 864 O ASP E 120 58.330 62.000 7.958 1.00 9.94 O ATOM 865 CB ASP E 120 57.947 64.179 10.225 1.00 10.56 C ATOM 866 CG ASP E 120 57.983 65.657 10.574 1.00 13.19 C ATOM 867 OD1 ASP E 120 58.595 66.427 9.793 1.00 12.97 O ATOM 868 OD2 ASP E 120 57.365 66.132 11.545 1.00 12.94 O ATOM 869 N VAL E 121 56.315 61.713 8.981 1.00 9.72 N ATOM 870 CA VAL E 121 56.318 60.250 8.827 1.00 8.97 C ATOM 871 C VAL E 121 54.912 59.827 8.435 1.00 9.56 C ATOM 872 O VAL E 121 53.949 60.369 8.949 1.00 10.39 O ATOM 873 CB VAL E 121 56.691 59.537 10.167 1.00 9.12 C ATOM 874 CG1 VAL E 121 56.778 58.009 9.952 1.00 9.54 C ATOM 875 CG2 VAL E 121 58.062 60.038 10.741 1.00 9.82 C ATOM 876 N ILE E 122 54.823 58.912 7.476 1.00 9.57 N ATOM 877 CA ILE E 122 53.563 58.207 7.183 1.00 9.15 C ATOM 878 C ILE E 122 53.704 56.733 7.520 1.00 10.02 C ATOM 879 O ILE E 122 54.713 56.091 7.175 1.00 10.88 O ATOM 880 CB ILE E 122 53.248 58.325 5.650 1.00 9.65 C ATOM 881 CG1 ILE E 122 52.783 59.749 5.340 1.00 10.24 C ATOM 882 CG2 ILE E 122 52.188 57.258 5.228 1.00 11.26 C ATOM 883 CD1 ILE E 122 52.750 60.035 3.806 1.00 11.42 C ATOM 884 N ASN E 123 52.693 56.208 8.213 1.00 9.34 N ATOM 885 CA ASN E 123 52.601 54.748 8.399 1.00 8.53 C ATOM 886 C ASN E 123 51.416 54.245 7.607 1.00 9.47 C ATOM 887 O ASN E 123 50.314 54.773 7.808 1.00 9.95 O ATOM 888 CB ASN E 123 52.378 54.385 9.876 1.00 8.76 C ATOM 889 CG ASN E 123 52.389 52.881 10.066 1.00 10.17 C ATOM 890 OD1 ASN E 123 53.454 52.270 10.192 1.00 10.09 O ATOM 891 ND2 ASN E 123 51.199 52.282 10.060 1.00 10.13 N ATOM 892 N MET E 124 51.629 53.240 6.750 1.00 10.31 N ATOM 893 CA MET E 124 50.540 52.564 6.036 1.00 10.56 C ATOM 894 C MET E 124 50.525 51.077 6.357 1.00 9.79 C ATOM 895 O MET E 124 51.203 50.287 5.665 1.00 10.15 O ATOM 896 CB MET E 124 50.680 52.778 4.538 1.00 10.63 C ATOM 897 CG MET E 124 50.164 54.201 4.201 1.00 10.79 C ATOM 898 SD MET E 124 50.287 54.584 2.412 1.00 13.03 S ATOM 899 CE MET E 124 52.011 54.644 2.178 1.00 12.60 C ATOM 900 N SER E 125 49.756 50.720 7.379 1.00 10.49 N ATOM 901 CA SER E 125 49.592 49.317 7.731 1.00 9.21 C ATOM 902 C SER E 125 48.495 48.693 6.856 1.00 11.23 C ATOM 903 O SER E 125 47.432 48.268 7.339 1.00 11.08 O ATOM 904 CB SER E 125 49.261 49.190 9.218 1.00 9.24 C ATOM 905 OG SER E 125 50.460 49.401 9.990 1.00 9.69 O ATOM 906 N LEU E 126 48.774 48.673 5.557 1.00 11.79 N ATOM 907 CA LEU E 126 47.736 48.374 4.589 1.00 12.77 C ATOM 908 C LEU E 126 48.394 47.961 3.293 1.00 13.06 C ATOM 909 O LEU E 126 49.598 48.172 3.090 1.00 12.90 O ATOM 910 CB LEU E 126 46.761 49.567 4.423 1.00 12.18 C ATOM 911 CG LEU E 126 47.317 50.977 4.156 1.00 11.74 C ATOM 912 CD1 LEU E 126 48.066 51.029 2.778 1.00 16.67 C ATOM 913 CD2 LEU E 126 46.224 52.082 4.193 1.00 14.31 C ATOM 914 N GLY E 127 47.625 47.353 2.406 1.00 13.49 N ATOM 915 CA GLY E 127 48.225 47.007 1.130 1.00 14.18 C ATOM 916 C GLY E 127 47.288 46.250 0.226 1.00 15.35 C ATOM 917 O GLY E 127 46.141 45.999 0.576 1.00 14.19 O ATOM 918 N GLY E 128 47.770 45.991 -0.987 1.00 15.63 N ATOM 919 CA GLY E 128 47.032 45.150 -1.932 1.00 18.10 C ATOM 920 C GLY E 128 48.009 44.559 -2.907 1.00 18.80 C ATOM 921 O GLY E 128 49.161 44.996 -3.009 1.00 17.29 O ATOM 922 N PRO E 129 47.570 43.542 -3.648 1.00 19.87 N ATOM 923 CA PRO E 129 48.466 42.805 -4.547 1.00 20.08 C ATOM 924 C PRO E 129 48.846 43.544 -5.820 1.00 21.76 C ATOM 925 O PRO E 129 49.831 43.102 -6.411 1.00 23.08 O ATOM 926 CB PRO E 129 47.650 41.557 -4.917 1.00 20.53 C ATOM 927 CG PRO E 129 46.272 41.998 -4.783 1.00 19.90 C ATOM 928 CD PRO E 129 46.224 42.941 -3.583 1.00 20.48 C ATOM 929 N SER E 130 48.147 44.593 -6.229 1.00 22.13 N ATOM 930 CA SER E 130 48.548 45.301 -7.445 1.00 25.07 C ATOM 931 C SER E 130 48.903 46.740 -7.126 1.00 25.09 C ATOM 932 O SER E 130 48.351 47.327 -6.192 1.00 26.78 O ATOM 933 CB SER E 130 47.423 45.309 -8.491 1.00 24.92 C ATOM 934 OG ASER E 130 46.193 45.641 -7.906 0.50 26.04 O ATOM 935 OG BSER E 130 46.690 44.092 -8.459 0.50 24.37 O ATOM 936 N GLY E 131 49.812 47.300 -7.904 1.00 25.99 N ATOM 937 CA GLY E 131 50.058 48.722 -7.769 1.00 25.48 C ATOM 938 C GLY E 131 49.154 49.508 -8.696 1.00 25.15 C ATOM 939 O GLY E 131 48.233 48.952 -9.345 1.00 26.08 O ATOM 940 N SER E 132 49.368 50.811 -8.713 1.00 22.79 N ATOM 941 CA SER E 132 48.897 51.675 -9.790 1.00 21.51 C ATOM 942 C SER E 132 49.910 52.790 -9.952 1.00 21.85 C ATOM 943 O SER E 132 50.634 53.164 -8.991 1.00 20.09 O ATOM 944 CB SER E 132 47.504 52.230 -9.501 1.00 21.43 C ATOM 945 OG SER E 132 47.530 53.318 -8.586 1.00 21.00 O ATOM 946 N ALA E 133 49.981 53.334 -11.160 1.00 20.47 N ATOM 947 CA ALA E 133 50.881 54.441 -11.388 1.00 20.00 C ATOM 948 C ALA E 133 50.559 55.599 -10.438 1.00 18.94 C ATOM 949 O ALA E 133 51.481 56.258 -9.953 1.00 17.87 O ATOM 950 CB ALA E 133 50.806 54.898 -12.884 1.00 20.26 C ATOM 951 N ALA E 134 49.279 55.847 -10.166 1.00 17.37 N ATOM 952 CA ALA E 134 48.888 56.970 -9.314 1.00 17.76 C ATOM 953 C ALA E 134 49.310 56.706 -7.851 1.00 17.35 C ATOM 954 O ALA E 134 49.733 57.638 -7.166 1.00 18.32 O ATOM 955 CB ALA E 134 47.368 57.292 -9.407 1.00 17.53 C ATOM 956 N LEU E 135 49.225 55.448 -7.413 1.00 17.58 N ATOM 957 CA LEU E 135 49.654 55.122 -6.043 1.00 16.66 C ATOM 958 C LEU E 135 51.166 55.321 -5.945 1.00 16.00 C ATOM 959 O LEU E 135 51.688 55.925 -4.959 1.00 15.00 O ATOM 960 CB LEU E 135 49.259 53.700 -5.676 1.00 16.22 C ATOM 961 CG LEU E 135 49.699 53.269 -4.263 1.00 16.02 C ATOM 962 CD1 LEU E 135 49.024 54.135 -3.181 1.00 15.68 C ATOM 963 CD2 LEU E 135 49.405 51.738 -4.054 1.00 16.71 C ATOM 964 N LYS E 136 51.886 54.795 -6.939 1.00 15.81 N ATOM 965 CA LYS E 136 53.331 54.952 -6.952 1.00 14.97 C ATOM 966 C LYS E 136 53.700 56.452 -6.966 1.00 15.17 C ATOM 967 O LYS E 136 54.614 56.905 -6.254 1.00 14.33 O ATOM 968 CB LYS E 136 53.966 54.218 -8.163 1.00 14.72 C ATOM 969 CG LYS E 136 55.515 54.244 -8.078 1.00 15.74 C ATOM 970 CD LYS E 136 56.211 53.524 -9.221 1.00 17.14 C ATOM 971 CE LYS E 136 57.700 53.348 -8.938 1.00 18.20 C ATOM 972 NZ LYS E 136 58.449 54.642 -9.054 1.00 19.93 N ATOM 973 N ALA E 137 53.004 57.235 -7.794 1.00 15.79 N ATOM 974 CA ALA E 137 53.327 58.660 -7.855 1.00 15.76 C ATOM 975 C ALA E 137 53.121 59.379 -6.491 1.00 15.33 C ATOM 976 O ALA E 137 53.908 60.269 -6.123 1.00 16.35 O ATOM 977 CB ALA E 137 52.476 59.329 -8.951 1.00 15.97 C ATOM 978 N ALA E 138 52.073 58.970 -5.766 1.00 15.68 N ATOM 979 CA ALA E 138 51.742 59.566 -4.452 1.00 13.74 C ATOM 980 C ALA E 138 52.838 59.264 -3.421 1.00 13.38 C ATOM 981 O ALA E 138 53.338 60.197 -2.754 1.00 12.97 O ATOM 982 CB ALA E 138 50.383 59.093 -3.961 1.00 14.49 C ATOM 983 N VAL E 139 53.235 57.986 -3.306 1.00 12.52 N ATOM 984 CA VAL E 139 54.326 57.687 -2.374 1.00 13.20 C ATOM 985 C VAL E 139 55.661 58.305 -2.788 1.00 13.07 C ATOM 986 O VAL E 139 56.411 58.803 -1.937 1.00 13.79 O ATOM 987 CB VAL E 139 54.471 56.179 -2.048 1.00 13.22 C ATOM 988 CG1 VAL E 139 53.182 55.680 -1.374 1.00 14.47 C ATOM 989 CG2 VAL E 139 54.866 55.304 -3.272 1.00 14.91 C ATOM 990 N ASP E 140 55.963 58.286 -4.090 1.00 13.58 N ATOM 991 CA ASP E 140 57.187 58.890 -4.551 1.00 13.84 C ATOM 992 C ASP E 140 57.183 60.390 -4.280 1.00 13.87 C ATOM 993 O ASP E 140 58.229 60.948 -3.933 1.00 14.21 O ATOM 994 CB ASP E 140 57.380 58.667 -6.079 1.00 14.75 C ATOM 995 CG ASP E 140 57.677 57.248 -6.439 1.00 17.42 C ATOM 996 OD1 ASP E 140 57.864 56.403 -5.517 1.00 15.00 O ATOM 997 OD2 ASP E 140 57.773 56.868 -7.649 1.00 17.21 O ATOM 998 N LYS E 141 56.034 61.043 -4.434 1.00 13.34 N ATOM 999 CA LYS E 141 55.942 62.476 -4.167 1.00 13.83 C ATOM 1000 C LYS E 141 56.141 62.763 -2.684 1.00 13.60 C ATOM 1001 O LYS E 141 56.833 63.734 -2.298 1.00 12.84 O ATOM 1002 CB LYS E 141 54.569 62.999 -4.621 1.00 13.96 C ATOM 1003 CG LYS E 141 54.375 64.496 -4.415 1.00 15.45 C ATOM 1004 CD LYS E 141 52.936 64.890 -4.754 1.00 17.94 C ATOM 1005 CE LYS E 141 52.617 66.339 -4.411 1.00 21.74 C ATOM 1006 NZ LYS E 141 51.238 66.656 -4.964 1.00 24.23 N ATOM 1007 N ALA E 142 55.549 61.914 -1.838 1.00 13.46 N ATOM 1008 CA ALA E 142 55.741 62.102 -0.388 1.00 12.54 C ATOM 1009 C ALA E 142 57.213 62.013 -0.033 1.00 12.37 C ATOM 1010 O ALA E 142 57.740 62.857 0.713 1.00 12.28 O ATOM 1011 CB ALA E 142 54.944 61.025 0.421 1.00 11.82 C ATOM 1012 N VAL E 143 57.897 60.999 -0.552 1.00 11.96 N ATOM 1013 CA VAL E 143 59.326 60.839 -0.267 1.00 12.31 C ATOM 1014 C VAL E 143 60.146 61.989 -0.869 1.00 12.47 C ATOM 1015 O VAL E 143 61.070 62.501 -0.202 1.00 12.45 O ATOM 1016 CB VAL E 143 59.803 59.466 -0.769 1.00 12.59 C ATOM 1017 CG1 VAL E 143 61.310 59.313 -0.674 1.00 12.97 C ATOM 1018 CG2 VAL E 143 59.106 58.354 0.099 1.00 12.38 C ATOM 1019 N ALA E 144 59.816 62.421 -2.096 1.00 13.25 N ATOM 1020 CA ALA E 144 60.579 63.531 -2.680 1.00 14.08 C ATOM 1021 C ALA E 144 60.414 64.784 -1.836 1.00 14.70 C ATOM 1022 O ALA E 144 61.305 65.677 -1.823 1.00 15.77 O ATOM 1023 CB ALA E 144 60.092 63.811 -4.102 1.00 13.33 C ATOM 1024 N SER E 145 59.283 64.872 -1.147 1.00 14.00 N ATOM 1025 CA SER E 145 58.944 66.025 -0.327 1.00 14.60 C ATOM 1026 C SER E 145 59.521 65.941 1.080 1.00 14.48 C ATOM 1027 O SER E 145 59.336 66.863 1.839 1.00 14.74 O ATOM 1028 CB SER E 145 57.426 66.235 -0.222 1.00 14.82 C ATOM 1029 OG SER E 145 56.847 66.404 -1.511 1.00 19.82 O ATOM 1030 N GLY E 146 60.237 64.856 1.409 1.00 12.56 N ATOM 1031 CA GLY E 146 60.895 64.783 2.720 1.00 11.63 C ATOM 1032 C GLY E 146 60.221 63.852 3.743 1.00 11.67 C ATOM 1033 O GLY E 146 60.699 63.780 4.854 1.00 11.42 O ATOM 1034 N VAL E 147 59.137 63.172 3.359 1.00 10.69 N ATOM 1035 CA VAL E 147 58.409 62.327 4.335 1.00 10.34 C ATOM 1036 C VAL E 147 59.044 60.930 4.408 1.00 10.39 C ATOM 1037 O VAL E 147 59.349 60.332 3.385 1.00 11.70 O ATOM 1038 CB VAL E 147 56.914 62.158 3.902 1.00 10.50 C ATOM 1039 CG1 VAL E 147 56.128 61.379 5.015 1.00 11.90 C ATOM 1040 CG2 VAL E 147 56.259 63.527 3.616 1.00 11.16 C ATOM 1041 N VAL E 148 59.179 60.389 5.611 1.00 9.55 N ATOM 1042 CA VAL E 148 59.552 58.992 5.789 1.00 9.00 C ATOM 1043 C VAL E 148 58.276 58.168 5.606 1.00 9.55 C ATOM 1044 O VAL E 148 57.329 58.360 6.375 1.00 10.83 O ATOM 1045 CB VAL E 148 60.079 58.731 7.218 1.00 9.32 C ATOM 1046 CG1 VAL E 148 60.367 57.264 7.401 1.00 10.97 C ATOM 1047 CG2 VAL E 148 61.403 59.504 7.457 1.00 9.62 C ATOM 1048 N VAL E 149 58.282 57.261 4.632 1.00 9.64 N ATOM 1049 CA VAL E 149 57.072 56.479 4.337 1.00 9.83 C ATOM 1050 C VAL E 149 57.342 55.014 4.672 1.00 9.81 C ATOM 1051 O VAL E 149 58.273 54.386 4.141 1.00 10.44 O ATOM 1052 CB VAL E 149 56.627 56.621 2.835 1.00 9.63 C ATOM 1053 CG1 VAL E 149 55.293 55.901 2.666 1.00 10.73 C ATOM 1054 CG2 VAL E 149 56.400 58.114 2.509 1.00 12.23 C ATOM 1055 N VAL E 150 56.508 54.484 5.565 1.00 9.92 N ATOM 1056 CA VAL E 150 56.688 53.123 6.080 1.00 9.61 C ATOM 1057 C VAL E 150 55.407 52.353 5.809 1.00 10.06 C ATOM 1058 O VAL E 150 54.304 52.888 5.977 1.00 10.74 O ATOM 1059 CB VAL E 150 56.918 53.122 7.620 1.00 10.20 C ATOM 1060 CG1 VAL E 150 57.277 51.681 8.110 1.00 10.23 C ATOM 1061 CG2 VAL E 150 58.042 54.166 7.986 1.00 9.31 C ATOM 1062 N ALA E 151 55.529 51.106 5.356 1.00 9.75 N ATOM 1063 CA ALA E 151 54.324 50.289 5.156 1.00 10.66 C ATOM 1064 C ALA E 151 54.538 48.830 5.544 1.00 9.99 C ATOM 1065 O ALA E 151 55.659 48.306 5.517 1.00 11.35 O ATOM 1066 CB ALA E 151 53.861 50.369 3.700 1.00 10.72 C ATOM 1067 N ALA E 152 53.425 48.165 5.827 1.00 9.83 N ATOM 1068 CA ALA E 152 53.462 46.716 6.090 1.00 9.95 C ATOM 1069 C ALA E 152 53.883 45.984 4.808 1.00 10.52 C ATOM 1070 O ALA E 152 53.427 46.338 3.709 1.00 11.97 O ATOM 1071 CB ALA E 152 52.069 46.275 6.548 1.00 11.20 C ATOM 1072 N ALA E 153 54.734 44.977 4.952 1.00 11.58 N ATOM 1073 CA ALA E 153 55.148 44.199 3.768 1.00 11.37 C ATOM 1074 C ALA E 153 54.007 43.363 3.180 1.00 12.50 C ATOM 1075 O ALA E 153 53.983 43.133 1.954 1.00 13.58 O ATOM 1076 CB ALA E 153 56.379 43.298 4.079 1.00 12.60 C ATOM 1077 N GLY E 154 53.045 42.964 4.015 1.00 11.81 N ATOM 1078 CA GLY E 154 51.959 42.082 3.576 1.00 12.01 C ATOM 1079 C GLY E 154 52.024 40.778 4.393 1.00 12.24 C ATOM 1080 O GLY E 154 53.024 40.444 5.022 1.00 11.01 O ATOM 1081 N ASN E 155 50.913 40.026 4.364 1.00 12.02 N ATOM 1082 CA ASN E 155 50.781 38.793 5.142 1.00 12.49 C ATOM 1083 C ASN E 155 50.549 37.586 4.229 1.00 14.16 C ATOM 1084 O ASN E 155 49.753 36.688 4.571 1.00 14.68 O ATOM 1085 CB ASN E 155 49.586 38.888 6.095 1.00 12.50 C ATOM 1086 CG ASN E 155 49.709 40.022 7.113 1.00 13.02 C ATOM 1087 OD1 ASN E 155 50.830 40.439 7.505 1.00 13.22 O ATOM 1088 ND2 ASN E 155 48.550 40.459 7.624 1.00 12.64 N ATOM 1089 N GLU E 156 51.284 37.555 3.124 1.00 14.91 N ATOM 1090 CA GLU E 156 51.091 36.497 2.108 1.00 16.46 C ATOM 1091 C GLU E 156 52.009 35.306 2.318 1.00 17.77 C ATOM 1092 O GLU E 156 51.974 34.337 1.532 1.00 19.51 O ATOM 1093 CB GLU E 156 51.310 37.068 0.712 1.00 16.12 C ATOM 1094 CG GLU E 156 50.358 38.180 0.348 1.00 16.12 C ATOM 1095 CD GLU E 156 48.909 37.740 0.369 1.00 21.42 C ATOM 1096 OE1 GLU E 156 48.651 36.577 0.043 1.00 24.24 O ATOM 1097 OE2 GLU E 156 48.022 38.537 0.720 1.00 26.39 O ATOM 1098 N GLY E 157 52.872 35.351 3.321 1.00 16.07 N ATOM 1099 CA GLY E 157 53.795 34.252 3.587 1.00 16.64 C ATOM 1100 C GLY E 157 54.681 33.969 2.375 1.00 17.75 C ATOM 1101 O GLY E 157 55.036 34.876 1.651 1.00 17.87 O ATOM 1102 N THR E 158 55.014 32.701 2.135 1.00 20.26 N ATOM 1103 CA THR E 158 55.915 32.386 1.020 1.00 22.59 C ATOM 1104 C THR E 158 55.164 31.851 -0.183 1.00 24.67 C ATOM 1105 O THR E 158 54.021 31.398 -0.067 1.00 25.26 O ATOM 1106 CB THR E 158 56.970 31.348 1.418 1.00 22.98 C ATOM 1107 OG1 THR E 158 56.301 30.142 1.837 1.00 25.06 O ATOM 1108 CG2 THR E 158 57.781 31.799 2.626 1.00 22.84 C ATOM 1109 N SER E 159 55.822 31.900 -1.335 1.00 25.85 N ATOM 1110 CA SER E 159 55.260 31.293 -2.528 1.00 27.68 C ATOM 1111 C SER E 159 56.446 30.926 -3.405 1.00 27.76 C ATOM 1112 O SER E 159 56.703 31.568 -4.423 1.00 27.98 O ATOM 1113 CB SER E 159 54.303 32.256 -3.209 1.00 27.25 C ATOM 1114 OG SER E 159 53.903 31.726 -4.452 1.00 32.71 O ATOM 1115 N GLY E 160 57.211 29.932 -2.942 1.00 28.78 N ATOM 1116 CA GLY E 160 58.410 29.487 -3.626 1.00 29.30 C ATOM 1117 C GLY E 160 59.455 30.573 -3.687 1.00 29.74 C ATOM 1118 O GLY E 160 59.854 31.117 -2.651 1.00 29.50 O ATOM 1119 N SER E 161 59.889 30.899 -4.904 1.00 28.99 N ATOM 1120 CA SER E 161 60.923 31.907 -5.114 1.00 28.43 C ATOM 1121 C SER E 161 60.316 33.261 -5.449 1.00 27.06 C ATOM 1122 O SER E 161 61.056 34.204 -5.737 1.00 27.86 O ATOM 1123 CB SER E 161 61.868 31.473 -6.260 1.00 29.67 C ATOM 1124 OG ASER E 161 61.159 31.384 -7.485 0.67 30.68 O ATOM 1125 OG BSER E 161 62.708 30.402 -5.859 0.33 29.14 O ATOM 1126 N SER E 162 58.988 33.360 -5.415 1.00 25.17 N ATOM 1127 CA SER E 162 58.291 34.584 -5.837 1.00 24.03 C ATOM 1128 C SER E 162 58.255 35.589 -4.689 1.00 21.72 C ATOM 1129 O SER E 162 58.043 35.214 -3.549 1.00 21.14 O ATOM 1130 CB SER E 162 56.844 34.317 -6.214 1.00 25.59 C ATOM 1131 OG SER E 162 56.757 33.507 -7.394 1.00 30.60 O ATOM 1132 N SER E 163 58.390 36.858 -5.028 1.00 19.82 N ATOM 1133 CA SER E 163 58.077 37.901 -4.037 1.00 18.68 C ATOM 1134 C SER E 163 56.584 37.902 -3.702 1.00 18.48 C ATOM 1135 O SER E 163 55.751 37.813 -4.577 1.00 18.64 O ATOM 1136 CB SER E 163 58.460 39.249 -4.588 1.00 19.07 C ATOM 1137 OG SER E 163 58.012 40.265 -3.694 1.00 18.19 O ATOM 1138 N THR E 164 56.235 38.083 -2.424 1.00 15.67 N ATOM 1139 CA THR E 164 54.848 38.240 -2.041 1.00 15.39 C ATOM 1140 C THR E 164 54.618 39.553 -1.280 1.00 14.74 C ATOM 1141 O THR E 164 53.546 39.788 -0.702 1.00 15.30 O ATOM 1142 CB THR E 164 54.369 37.100 -1.159 1.00 16.21 C ATOM 1143 OG1 THR E 164 55.097 37.125 0.067 1.00 14.87 O ATOM 1144 CG2 THR E 164 54.716 35.709 -1.796 1.00 15.19 C ATOM 1145 N VAL E 165 55.566 40.460 -1.415 1.00 15.16 N ATOM 1146 CA VAL E 165 55.384 41.781 -0.818 1.00 13.30 C ATOM 1147 C VAL E 165 54.319 42.557 -1.595 1.00 14.07 C ATOM 1148 O VAL E 165 54.373 42.613 -2.840 1.00 15.20 O ATOM 1149 CB VAL E 165 56.745 42.572 -0.843 1.00 12.60 C ATOM 1150 CG1 VAL E 165 56.541 44.044 -0.329 1.00 12.96 C ATOM 1151 CG2 VAL E 165 57.836 41.843 -0.038 1.00 13.38 C ATOM 1152 N GLY E 166 53.370 43.189 -0.892 1.00 13.82 N ATOM 1153 CA GLY E 166 52.320 43.927 -1.553 1.00 14.15 C ATOM 1154 C GLY E 166 52.630 45.405 -1.701 1.00 14.27 C ATOM 1155 O GLY E 166 53.671 45.851 -1.239 1.00 13.76 O ATOM 1156 N TYR E 167 51.705 46.131 -2.300 1.00 13.07 N ATOM 1157 CA TYR E 167 51.852 47.569 -2.540 1.00 14.04 C ATOM 1158 C TYR E 167 51.038 48.312 -1.475 1.00 13.39 C ATOM 1159 O TYR E 167 49.942 47.871 -1.089 1.00 13.81 O ATOM 1160 CB TYR E 167 51.275 47.901 -3.910 1.00 13.50 C ATOM 1161 CG TYR E 167 52.030 47.279 -5.056 1.00 14.82 C ATOM 1162 CD1 TYR E 167 53.068 47.962 -5.670 1.00 17.61 C ATOM 1163 CD2 TYR E 167 51.693 46.011 -5.525 1.00 19.80 C ATOM 1164 CE1 TYR E 167 53.764 47.398 -6.743 1.00 19.78 C ATOM 1165 CE2 TYR E 167 52.375 45.437 -6.611 1.00 18.64 C ATOM 1166 CZ TYR E 167 53.411 46.137 -7.197 1.00 22.76 C ATOM 1167 OH TYR E 167 54.094 45.556 -8.255 1.00 25.01 O ATOM 1168 N PRO E 168 51.505 49.470 -1.016 1.00 13.31 N ATOM 1169 CA PRO E 168 52.665 50.206 -1.544 1.00 12.18 C ATOM 1170 C PRO E 168 54.037 49.814 -0.983 1.00 12.11 C ATOM 1171 O PRO E 168 55.087 50.370 -1.415 1.00 11.43 O ATOM 1172 CB PRO E 168 52.309 51.670 -1.164 1.00 12.37 C ATOM 1173 CG PRO E 168 51.619 51.494 0.212 1.00 11.98 C ATOM 1174 CD PRO E 168 50.753 50.232 -0.009 1.00 12.79 C ATOM 1175 N GLY E 169 54.083 48.842 -0.072 1.00 11.09 N ATOM 1176 CA GLY E 169 55.379 48.374 0.436 1.00 10.87 C ATOM 1177 C GLY E 169 56.386 48.028 -0.654 1.00 13.27 C ATOM 1178 O GLY E 169 57.582 48.283 -0.507 1.00 12.55 O ATOM 1179 N LYS E 170 55.906 47.431 -1.750 1.00 12.93 N ATOM 1180 CA LYS E 170 56.783 46.916 -2.805 1.00 14.85 C ATOM 1181 C LYS E 170 57.481 48.027 -3.604 1.00 14.20 C ATOM 1182 O LYS E 170 58.465 47.758 -4.281 1.00 15.44 O ATOM 1183 CB LYS E 170 55.957 46.013 -3.754 1.00 15.01 C ATOM 1184 CG LYS E 170 56.817 45.041 -4.568 1.00 18.07 C ATOM 1185 CD LYS E 170 55.882 44.184 -5.418 1.00 19.27 C ATOM 1186 CE LYS E 170 56.673 43.284 -6.386 1.00 25.36 C ATOM 1187 NZ LYS E 170 55.812 42.175 -6.954 1.00 28.88 N ATOM 1188 N TYR E 171 57.007 49.270 -3.484 1.00 14.23 N ATOM 1189 CA TYR E 171 57.667 50.379 -4.208 1.00 13.10 C ATOM 1190 C TYR E 171 59.002 50.726 -3.537 1.00 14.74 C ATOM 1191 O TYR E 171 59.083 50.772 -2.295 1.00 13.48 O ATOM 1192 CB TYR E 171 56.779 51.619 -4.206 1.00 13.13 C ATOM 1193 CG TYR E 171 55.523 51.471 -5.034 1.00 13.05 C ATOM 1194 CD1 TYR E 171 55.597 51.055 -6.364 1.00 14.57 C ATOM 1195 CD2 TYR E 171 54.270 51.753 -4.492 1.00 13.89 C ATOM 1196 CE1 TYR E 171 54.436 50.912 -7.114 1.00 16.07 C ATOM 1197 CE2 TYR E 171 53.106 51.619 -5.240 1.00 14.30 C ATOM 1198 CZ TYR E 171 53.214 51.226 -6.552 1.00 15.20 C ATOM 1199 OH TYR E 171 52.061 51.086 -7.296 1.00 19.57 O ATOM 1200 N PRO E 172 60.068 50.931 -4.310 1.00 13.70 N ATOM 1201 CA PRO E 172 61.386 51.264 -3.728 1.00 13.52 C ATOM 1202 C PRO E 172 61.353 52.474 -2.768 1.00 12.63 C ATOM 1203 O PRO E 172 62.138 52.490 -1.806 1.00 13.71 O ATOM 1204 CB PRO E 172 62.255 51.575 -4.985 1.00 14.28 C ATOM 1205 CG PRO E 172 61.607 50.709 -6.064 1.00 16.55 C ATOM 1206 CD PRO E 172 60.130 50.797 -5.788 1.00 15.26 C ATOM 1207 N SER E 173 60.481 53.449 -3.014 1.00 13.00 N ATOM 1208 CA SER E 173 60.513 54.659 -2.169 1.00 13.13 C ATOM 1209 C SER E 173 59.961 54.399 -0.757 1.00 13.24 C ATOM 1210 O SER E 173 60.124 55.258 0.118 1.00 11.95 O ATOM 1211 CB SER E 173 59.759 55.806 -2.815 1.00 12.61 C ATOM 1212 OG SER E 173 58.376 55.479 -2.923 1.00 14.42 O ATOM 1213 N VAL E 174 59.273 53.269 -0.565 1.00 11.30 N ATOM 1214 CA VAL E 174 58.572 52.948 0.698 1.00 10.84 C ATOM 1215 C VAL E 174 59.396 51.899 1.459 1.00 11.86 C ATOM 1216 O VAL E 174 59.924 50.958 0.871 1.00 12.60 O ATOM 1217 CB VAL E 174 57.130 52.412 0.361 1.00 12.47 C ATOM 1218 CG1 VAL E 174 56.413 51.900 1.636 1.00 11.76 C ATOM 1219 CG2 VAL E 174 56.302 53.487 -0.358 1.00 11.59 C ATOM 1220 N ILE E 175 59.467 52.020 2.776 1.00 10.07 N ATOM 1221 CA ILE E 175 60.149 51.025 3.614 1.00 10.63 C ATOM 1222 C ILE E 175 59.148 49.927 3.913 1.00 11.08 C ATOM 1223 O ILE E 175 58.167 50.183 4.631 1.00 11.32 O ATOM 1224 CB ILE E 175 60.595 51.668 4.954 1.00 10.04 C ATOM 1225 CG1 ILE E 175 61.670 52.762 4.684 1.00 10.93 C ATOM 1226 CG2 ILE E 175 61.151 50.590 5.935 1.00 12.03 C ATOM 1227 CD1 ILE E 175 61.791 53.736 5.877 1.00 11.73 C ATOM 1228 N ALA E 176 59.367 48.733 3.325 1.00 10.13 N ATOM 1229 CA ALA E 176 58.463 47.596 3.566 1.00 10.95 C ATOM 1230 C ALA E 176 58.908 46.798 4.778 1.00 10.32 C ATOM 1231 O ALA E 176 60.071 46.382 4.895 1.00 10.13 O ATOM 1232 CB ALA E 176 58.460 46.684 2.316 1.00 10.84 C ATOM 1233 N VAL E 177 57.976 46.591 5.709 1.00 10.33 N ATOM 1234 CA VAL E 177 58.331 45.999 7.020 1.00 9.75 C ATOM 1235 C VAL E 177 57.663 44.645 7.226 1.00 9.63 C ATOM 1236 O VAL E 177 56.426 44.524 7.171 1.00 10.46 O ATOM 1237 CB VAL E 177 57.847 46.925 8.167 1.00 9.83 C ATOM 1238 CG1 VAL E 177 58.263 46.370 9.520 1.00 9.66 C ATOM 1239 CG2 VAL E 177 58.434 48.368 7.939 1.00 9.46 C ATOM 1240 N GLY E 178 58.500 43.649 7.477 1.00 9.54 N ATOM 1241 CA GLY E 178 58.024 42.298 7.814 1.00 10.20 C ATOM 1242 C GLY E 178 57.953 42.091 9.315 1.00 11.79 C ATOM 1243 O GLY E 178 58.380 42.945 10.109 1.00 10.92 O ATOM 1244 N ALA E 179 57.396 40.951 9.703 1.00 10.65 N ATOM 1245 CA ALA E 179 57.081 40.664 11.110 1.00 11.00 C ATOM 1246 C ALA E 179 57.883 39.522 11.675 1.00 11.15 C ATOM 1247 O ALA E 179 57.949 38.440 11.085 1.00 12.29 O ATOM 1248 CB ALA E 179 55.584 40.333 11.298 1.00 10.24 C ATOM 1249 N VAL E 180 58.460 39.751 12.850 1.00 11.00 N ATOM 1250 CA VAL E 180 59.080 38.699 13.643 1.00 11.52 C ATOM 1251 C VAL E 180 58.382 38.577 14.990 1.00 12.15 C ATOM 1252 O VAL E 180 57.600 39.447 15.398 1.00 11.74 O ATOM 1253 CB VAL E 180 60.571 38.924 13.895 1.00 11.10 C ATOM 1254 CG1 VAL E 180 61.367 38.825 12.585 1.00 13.29 C ATOM 1255 CG2 VAL E 180 60.816 40.314 14.623 1.00 11.10 C ATOM 1256 N ASP E 181 58.625 37.450 15.672 1.00 12.12 N ATOM 1257 CA ASP E 181 58.109 37.305 17.023 1.00 12.62 C ATOM 1258 C ASP E 181 59.185 37.694 18.067 1.00 12.78 C ATOM 1259 O ASP E 181 60.247 38.279 17.702 1.00 12.69 O ATOM 1260 CB ASP E 181 57.578 35.871 17.224 1.00 13.88 C ATOM 1261 CG ASP E 181 58.649 34.825 17.120 1.00 17.01 C ATOM 1262 OD1 ASP E 181 59.857 35.119 17.274 1.00 15.11 O ATOM 1263 OD2 ASP E 181 58.323 33.624 16.883 1.00 20.70 O ATOM 1264 N SER E 182 58.926 37.403 19.346 1.00 13.70 N ATOM 1265 CA SER E 182 59.816 37.827 20.423 1.00 15.49 C ATOM 1266 C SER E 182 61.144 37.093 20.417 1.00 15.94 C ATOM 1267 O SER E 182 62.083 37.491 21.123 1.00 16.85 O ATOM 1268 CB SER E 182 59.126 37.658 21.800 1.00 17.23 C ATOM 1269 OG SER E 182 58.879 36.263 22.055 1.00 18.54 O ATOM 1270 N SER E 183 61.226 36.000 19.660 1.00 15.75 N ATOM 1271 CA SER E 183 62.465 35.269 19.498 1.00 16.47 C ATOM 1272 C SER E 183 63.195 35.659 18.231 1.00 16.20 C ATOM 1273 O SER E 183 64.183 35.009 17.849 1.00 16.41 O ATOM 1274 CB SER E 183 62.185 33.749 19.476 1.00 17.22 C ATOM 1275 OG ASER E 183 61.579 33.346 20.706 0.67 19.84 O ATOM 1276 OG BSER E 183 61.637 33.361 18.237 0.33 18.13 O ATOM 1277 N ASN E 184 62.703 36.711 17.554 1.00 14.12 N ATOM 1278 CA ASN E 184 63.279 37.140 16.272 1.00 14.93 C ATOM 1279 C ASN E 184 63.065 36.142 15.133 1.00 14.85 C ATOM 1280 O ASN E 184 63.712 36.238 14.092 1.00 16.60 O ATOM 1281 CB ASN E 184 64.773 37.484 16.381 1.00 14.86 C ATOM 1282 CG ASN E 184 65.019 38.815 17.069 1.00 18.24 C ATOM 1283 OD1 ASN E 184 64.120 39.629 17.143 1.00 18.44 O ATOM 1284 ND2 ASN E 184 66.255 39.058 17.514 1.00 20.25 N ATOM 1285 N GLN E 185 62.108 35.231 15.299 1.00 14.90 N ATOM 1286 CA GLN E 185 61.764 34.346 14.187 1.00 16.27 C ATOM 1287 C GLN E 185 60.735 35.028 13.306 1.00 14.26 C ATOM 1288 O GLN E 185 59.783 35.605 13.793 1.00 14.73 O ATOM 1289 CB GLN E 185 61.130 33.067 14.761 1.00 17.62 C ATOM 1290 CG GLN E 185 62.115 32.011 15.179 1.00 27.70 C ATOM 1291 CD GLN E 185 62.827 31.373 13.970 1.00 37.07 C ATOM 1292 OE1 GLN E 185 62.172 30.907 13.011 1.00 41.11 O ATOM 1293 NE2 GLN E 185 64.164 31.368 14.008 1.00 40.90 N ATOM 1294 N ARG E 186 60.908 34.934 11.994 1.00 14.60 N ATOM 1295 CA ARG E 186 59.925 35.437 11.079 1.00 15.11 C ATOM 1296 C ARG E 186 58.561 34.779 11.344 1.00 14.99 C ATOM 1297 O ARG E 186 58.500 33.554 11.523 1.00 16.37 O ATOM 1298 CB ARG E 186 60.434 35.103 9.689 1.00 16.64 C ATOM 1299 CG ARG E 186 59.497 35.283 8.630 1.00 19.28 C ATOM 1300 CD ARG E 186 60.027 34.715 7.288 1.00 17.64 C ATOM 1301 NE ARG E 186 58.851 34.750 6.497 1.00 17.05 N ATOM 1302 CZ ARG E 186 58.021 33.721 6.362 1.00 17.37 C ATOM 1303 NH1 ARG E 186 58.331 32.517 6.852 1.00 18.49 N ATOM 1304 NH2 ARG E 186 56.905 33.894 5.682 1.00 16.17 N ATOM 1305 N ALA E 187 57.502 35.583 11.377 1.00 13.90 N ATOM 1306 CA ALA E 187 56.136 35.055 11.483 1.00 13.83 C ATOM 1307 C ALA E 187 55.804 34.304 10.204 1.00 14.43 C ATOM 1308 O ALA E 187 56.139 34.763 9.124 1.00 13.53 O ATOM 1309 CB ALA E 187 55.127 36.202 11.654 1.00 15.15 C ATOM 1310 N SER E 188 55.100 33.166 10.306 1.00 15.73 N ATOM 1311 CA SER E 188 54.814 32.384 9.079 1.00 17.10 C ATOM 1312 C SER E 188 54.065 33.154 8.015 1.00 16.24 C ATOM 1313 O SER E 188 54.262 32.903 6.831 1.00 18.32 O ATOM 1314 CB SER E 188 54.018 31.108 9.452 1.00 17.91 C ATOM 1315 OG SER E 188 52.781 31.479 10.044 1.00 23.56 O ATOM 1316 N PHE E 189 53.208 34.104 8.410 1.00 15.74 N ATOM 1317 CA PHE E 189 52.419 34.882 7.467 1.00 14.71 C ATOM 1318 C PHE E 189 53.221 36.022 6.819 1.00 14.23 C ATOM 1319 O PHE E 189 52.732 36.650 5.885 1.00 14.77 O ATOM 1320 CB PHE E 189 51.165 35.485 8.136 1.00 14.16 C ATOM 1321 CG PHE E 189 51.470 36.347 9.345 1.00 14.36 C ATOM 1322 CD1 PHE E 189 51.964 37.649 9.187 1.00 14.36 C ATOM 1323 CD2 PHE E 189 51.282 35.846 10.638 1.00 15.89 C ATOM 1324 CE1 PHE E 189 52.291 38.424 10.316 1.00 14.41 C ATOM 1325 CE2 PHE E 189 51.596 36.604 11.770 1.00 18.70 C ATOM 1326 CZ PHE E 189 52.085 37.889 11.614 1.00 17.17 C ATOM 1327 N SER E 190 54.383 36.358 7.368 1.00 14.64 N ATOM 1328 CA SER E 190 55.087 37.579 6.894 1.00 12.99 C ATOM 1329 C SER E 190 55.500 37.447 5.409 1.00 13.74 C ATOM 1330 O SER E 190 56.133 36.452 5.032 1.00 14.48 O ATOM 1331 CB SER E 190 56.313 37.849 7.798 1.00 13.61 C ATOM 1332 OG SER E 190 56.954 39.083 7.426 1.00 13.36 O ATOM 1333 N SER E 191 55.144 38.439 4.589 1.00 12.74 N ATOM 1334 CA SER E 191 55.514 38.440 3.145 1.00 13.36 C ATOM 1335 C SER E 191 57.025 38.418 2.952 1.00 13.62 C ATOM 1336 O SER E 191 57.798 38.827 3.840 1.00 14.69 O ATOM 1337 CB SER E 191 54.890 39.616 2.406 1.00 12.83 C ATOM 1338 OG SER E 191 53.522 39.386 2.120 1.00 13.03 O ATOM 1339 N VAL E 192 57.457 37.935 1.780 1.00 13.94 N ATOM 1340 CA VAL E 192 58.878 37.717 1.516 1.00 14.66 C ATOM 1341 C VAL E 192 59.223 38.285 0.155 1.00 14.34 C ATOM 1342 O VAL E 192 58.332 38.572 -0.649 1.00 14.22 O ATOM 1343 CB VAL E 192 59.261 36.210 1.597 1.00 15.29 C ATOM 1344 CG1 VAL E 192 59.096 35.693 3.034 1.00 16.31 C ATOM 1345 CG2 VAL E 192 58.407 35.379 0.607 1.00 15.71 C ATOM 1346 N GLY E 193 60.524 38.448 -0.091 1.00 14.83 N ATOM 1347 CA GLY E 193 60.932 38.990 -1.387 1.00 14.74 C ATOM 1348 C GLY E 193 62.058 39.997 -1.245 1.00 16.04 C ATOM 1349 O GLY E 193 62.369 40.454 -0.152 1.00 15.89 O ATOM 1350 N PRO E 194 62.703 40.336 -2.349 1.00 16.76 N ATOM 1351 CA PRO E 194 63.827 41.277 -2.293 1.00 17.05 C ATOM 1352 C PRO E 194 63.380 42.682 -1.900 1.00 16.88 C ATOM 1353 O PRO E 194 64.220 43.465 -1.476 1.00 17.97 O ATOM 1354 CB PRO E 194 64.391 41.256 -3.725 1.00 18.66 C ATOM 1355 CG PRO E 194 63.368 40.714 -4.539 1.00 18.97 C ATOM 1356 CD PRO E 194 62.458 39.829 -3.714 1.00 17.63 C ATOM 1357 N GLU E 195 62.089 42.957 -1.967 1.00 15.37 N ATOM 1358 CA GLU E 195 61.559 44.270 -1.530 1.00 15.66 C ATOM 1359 C GLU E 195 61.364 44.361 -0.019 1.00 14.88 C ATOM 1360 O GLU E 195 61.130 45.464 0.507 1.00 15.71 O ATOM 1361 CB GLU E 195 60.255 44.567 -2.220 1.00 15.59 C ATOM 1362 CG GLU E 195 60.373 44.525 -3.749 1.00 17.29 C ATOM 1363 CD GLU E 195 60.033 43.142 -4.313 1.00 20.77 C ATOM 1364 OE1 GLU E 195 59.882 42.152 -3.531 1.00 19.30 O ATOM 1365 OE2 GLU E 195 60.005 43.018 -5.567 1.00 25.58 O ATOM 1366 N LEU E 196 61.486 43.257 0.692 1.00 14.47 N ATOM 1367 CA LEU E 196 61.376 43.310 2.162 1.00 13.67 C ATOM 1368 C LEU E 196 62.588 44.097 2.658 1.00 14.27 C ATOM 1369 O LEU E 196 63.733 43.755 2.327 1.00 15.08 O ATOM 1370 CB LEU E 196 61.366 41.866 2.687 1.00 15.10 C ATOM 1371 CG LEU E 196 61.312 41.609 4.163 1.00 16.49 C ATOM 1372 CD1 LEU E 196 60.031 42.303 4.728 1.00 17.03 C ATOM 1373 CD2 LEU E 196 61.266 40.056 4.326 1.00 13.49 C ATOM 1374 N ASP E 197 62.373 45.145 3.473 1.00 11.25 N ATOM 1375 CA ASP E 197 63.481 45.982 3.874 1.00 11.81 C ATOM 1376 C ASP E 197 63.982 45.662 5.288 1.00 11.60 C ATOM 1377 O ASP E 197 65.163 45.338 5.488 1.00 11.92 O ATOM 1378 CB ASP E 197 63.055 47.436 3.736 1.00 11.88 C ATOM 1379 CG ASP E 197 64.209 48.381 3.848 1.00 15.13 C ATOM 1380 OD1 ASP E 197 65.379 47.915 3.809 1.00 15.86 O ATOM 1381 OD2 ASP E 197 64.007 49.612 3.979 1.00 16.50 O ATOM 1382 N VAL E 198 63.074 45.748 6.282 1.00 11.06 N ATOM 1383 CA VAL E 198 63.476 45.500 7.678 1.00 10.44 C ATOM 1384 C VAL E 198 62.334 44.723 8.344 1.00 9.99 C ATOM 1385 O VAL E 198 61.228 44.631 7.794 1.00 11.19 O ATOM 1386 CB VAL E 198 63.720 46.849 8.456 1.00 10.20 C ATOM 1387 CG1 VAL E 198 64.932 47.646 7.810 1.00 11.09 C ATOM 1388 CG2 VAL E 198 62.396 47.690 8.541 1.00 11.56 C ATOM 1389 N MET E 199 62.606 44.199 9.512 1.00 10.23 N ATOM 1390 CA MET E 199 61.592 43.491 10.290 1.00 10.21 C ATOM 1391 C MET E 199 61.342 44.221 11.619 1.00 10.77 C ATOM 1392 O MET E 199 62.228 44.915 12.125 1.00 10.37 O ATOM 1393 CB MET E 199 62.122 42.128 10.721 1.00 11.31 C ATOM 1394 CG MET E 199 62.579 41.177 9.538 1.00 11.69 C ATOM 1395 SD MET E 199 61.355 40.888 8.267 1.00 12.30 S ATOM 1396 CE MET E 199 60.581 39.336 8.936 1.00 12.54 C ATOM 1397 N ALA E 200 60.170 44.007 12.189 1.00 10.19 N ATOM 1398 CA ALA E 200 59.877 44.496 13.531 1.00 9.80 C ATOM 1399 C ALA E 200 58.871 43.561 14.180 1.00 9.50 C ATOM 1400 O ALA E 200 58.321 42.679 13.493 1.00 9.15 O ATOM 1401 CB ALA E 200 59.337 45.908 13.466 1.00 9.65 C ATOM 1402 N PRO E 201 58.648 43.673 15.484 1.00 10.29 N ATOM 1403 CA PRO E 201 57.741 42.746 16.180 1.00 9.57 C ATOM 1404 C PRO E 201 56.317 42.824 15.600 1.00 10.43 C ATOM 1405 O PRO E 201 55.774 43.935 15.465 1.00 10.11 O ATOM 1406 CB PRO E 201 57.758 43.277 17.618 1.00 9.99 C ATOM 1407 CG PRO E 201 59.217 43.792 17.752 1.00 10.71 C ATOM 1408 CD PRO E 201 59.325 44.587 16.423 1.00 10.64 C ATOM 1409 N GLY E 202 55.727 41.666 15.273 1.00 9.66 N ATOM 1410 CA GLY E 202 54.404 41.648 14.689 1.00 10.25 C ATOM 1411 C GLY E 202 53.571 40.453 15.150 1.00 11.02 C ATOM 1412 O GLY E 202 52.562 40.136 14.522 1.00 11.57 O ATOM 1413 N VAL E 203 53.984 39.862 16.260 1.00 10.76 N ATOM 1414 CA VAL E 203 53.232 38.727 16.819 1.00 11.62 C ATOM 1415 C VAL E 203 52.811 39.067 18.244 1.00 11.69 C ATOM 1416 O VAL E 203 53.654 39.420 19.063 1.00 12.09 O ATOM 1417 CB VAL E 203 54.087 37.437 16.771 1.00 11.43 C ATOM 1418 CG1 VAL E 203 53.270 36.235 17.381 1.00 12.32 C ATOM 1419 CG2 VAL E 203 54.480 37.120 15.303 1.00 13.51 C ATOM 1420 N SER E 204 51.503 38.946 18.517 1.00 11.28 N ATOM 1421 CA SER E 204 50.933 39.164 19.866 1.00 11.35 C ATOM 1422 C SER E 204 51.342 40.532 20.399 1.00 10.51 C ATOM 1423 O SER E 204 51.935 40.649 21.486 1.00 11.16 O ATOM 1424 CB SER E 204 51.420 38.060 20.801 1.00 13.32 C ATOM 1425 OG ASER E 204 50.971 36.827 20.265 0.67 13.87 O ATOM 1426 OG BSER E 204 50.797 38.168 22.064 0.33 14.13 O ATOM 1427 N ILE E 205 51.044 41.543 19.590 1.00 10.14 N ATOM 1428 CA ILE E 205 51.395 42.920 19.949 1.00 9.55 C ATOM 1429 C ILE E 205 50.223 43.598 20.658 1.00 8.69 C ATOM 1430 O ILE E 205 49.153 43.831 20.060 1.00 9.40 O ATOM 1431 CB ILE E 205 51.724 43.703 18.652 1.00 7.84 C ATOM 1432 CG1 ILE E 205 52.858 43.008 17.849 1.00 9.50 C ATOM 1433 CG2 ILE E 205 52.111 45.176 18.980 1.00 9.33 C ATOM 1434 CD1 ILE E 205 54.214 42.794 18.646 1.00 10.06 C ATOM 1435 N GLN E 206 50.432 43.915 21.931 1.00 8.68 N ATOM 1436 CA GLN E 206 49.437 44.635 22.731 1.00 9.54 C ATOM 1437 C GLN E 206 49.427 46.093 22.357 1.00 8.93 C ATOM 1438 O GLN E 206 50.500 46.746 22.271 1.00 9.84 O ATOM 1439 CB GLN E 206 49.753 44.507 24.229 1.00 9.84 C ATOM 1440 CG GLN E 206 49.417 43.129 24.791 1.00 11.83 C ATOM 1441 CD GLN E 206 47.887 42.887 24.920 1.00 13.36 C ATOM 1442 OE1 GLN E 206 47.075 43.822 24.782 1.00 13.94 O ATOM 1443 NE2 GLN E 206 47.504 41.622 25.171 1.00 17.50 N ATOM 1444 N SER E 207 48.212 46.612 22.137 1.00 9.58 N ATOM 1445 CA SER E 207 48.072 48.057 21.881 1.00 8.94 C ATOM 1446 C SER E 207 46.636 48.498 22.211 1.00 8.86 C ATOM 1447 O SER E 207 45.819 47.706 22.681 1.00 10.94 O ATOM 1448 CB SER E 207 48.435 48.388 20.413 1.00 9.22 C ATOM 1449 OG SER E 207 48.484 49.786 20.258 1.00 8.33 O ATOM 1450 N THR E 208 46.352 49.774 21.971 1.00 9.64 N ATOM 1451 CA THR E 208 45.049 50.413 22.235 1.00 9.64 C ATOM 1452 C THR E 208 44.015 49.955 21.248 1.00 10.44 C ATOM 1453 O THR E 208 44.319 49.774 20.067 1.00 11.08 O ATOM 1454 CB THR E 208 45.200 51.940 22.060 1.00 9.20 C ATOM 1455 OG1 THR E 208 46.023 52.229 20.909 1.00 10.42 O ATOM 1456 CG2 THR E 208 45.999 52.519 23.236 1.00 9.48 C ATOM 1457 N LEU E 209 42.794 49.758 21.753 1.00 11.78 N ATOM 1458 CA LEU E 209 41.624 49.465 20.899 1.00 11.56 C ATOM 1459 C LEU E 209 40.477 50.417 21.244 1.00 12.09 C ATOM 1460 O LEU E 209 40.415 50.917 22.356 1.00 11.53 O ATOM 1461 CB LEU E 209 41.158 48.021 21.106 1.00 11.03 C ATOM 1462 CG LEU E 209 42.132 46.958 20.572 1.00 11.26 C ATOM 1463 CD1 LEU E 209 41.773 45.515 21.083 1.00 13.84 C ATOM 1464 CD2 LEU E 209 42.185 47.006 19.045 1.00 11.12 C ATOM 1465 N PRO E 210 39.548 50.675 20.309 1.00 12.47 N ATOM 1466 CA PRO E 210 38.484 51.642 20.584 1.00 12.41 C ATOM 1467 C PRO E 210 37.636 51.296 21.839 1.00 12.58 C ATOM 1468 O PRO E 210 37.501 50.101 22.211 1.00 13.30 O ATOM 1469 CB PRO E 210 37.634 51.593 19.317 1.00 13.37 C ATOM 1470 CG PRO E 210 38.625 51.139 18.229 1.00 13.27 C ATOM 1471 CD PRO E 210 39.455 50.114 18.942 1.00 12.27 C ATOM 1472 N GLY E 211 37.077 52.357 22.428 1.00 13.46 N ATOM 1473 CA GLY E 211 36.276 52.241 23.646 1.00 13.75 C ATOM 1474 C GLY E 211 37.127 51.910 24.859 1.00 13.27 C ATOM 1475 O GLY E 211 36.707 51.114 25.722 1.00 14.41 O ATOM 1476 N ASN E 212 38.323 52.509 24.907 1.00 12.67 N ATOM 1477 CA ASN E 212 39.211 52.377 26.055 1.00 12.86 C ATOM 1478 C ASN E 212 39.529 50.935 26.361 1.00 12.85 C ATOM 1479 O ASN E 212 39.385 50.465 27.495 1.00 13.17 O ATOM 1480 CB ASN E 212 38.590 53.048 27.271 1.00 13.49 C ATOM 1481 CG ASN E 212 39.541 53.121 28.427 1.00 15.49 C ATOM 1482 OD1 ASN E 212 40.762 53.140 28.239 1.00 15.05 O ATOM 1483 ND2 ASN E 212 38.981 53.184 29.633 1.00 18.31 N ATOM 1484 N LYS E 213 39.926 50.201 25.332 1.00 11.79 N ATOM 1485 CA LYS E 213 40.334 48.816 25.515 1.00 12.20 C ATOM 1486 C LYS E 213 41.779 48.633 25.041 1.00 10.81 C ATOM 1487 O LYS E 213 42.421 49.603 24.554 1.00 9.99 O ATOM 1488 CB LYS E 213 39.404 47.873 24.713 1.00 13.59 C ATOM 1489 CG LYS E 213 37.904 47.958 25.104 1.00 16.15 C ATOM 1490 CD LYS E 213 37.679 47.450 26.512 1.00 18.87 C ATOM 1491 CE LYS E 213 36.169 47.353 26.913 1.00 22.52 C ATOM 1492 NZ ALYS E 213 36.028 46.559 28.206 0.50 21.19 N ATOM 1493 NZ BLYS E 213 35.412 48.566 26.459 0.50 20.96 N ATOM 1494 N TYR E 214 42.307 47.422 25.261 1.00 10.76 N ATOM 1495 CA TYR E 214 43.635 47.030 24.780 1.00 10.82 C ATOM 1496 C TYR E 214 43.512 45.607 24.270 1.00 11.60 C ATOM 1497 O TYR E 214 42.644 44.847 24.720 1.00 11.58 O ATOM 1498 CB TYR E 214 44.680 47.067 25.922 1.00 10.54 C ATOM 1499 CG TYR E 214 44.753 48.438 26.564 1.00 10.62 C ATOM 1500 CD1 TYR E 214 45.616 49.419 26.042 1.00 10.65 C ATOM 1501 CD2 TYR E 214 43.920 48.785 27.659 1.00 10.71 C ATOM 1502 CE1 TYR E 214 45.657 50.690 26.576 1.00 9.65 C ATOM 1503 CE2 TYR E 214 43.969 50.067 28.230 1.00 12.07 C ATOM 1504 CZ TYR E 214 44.828 51.028 27.671 1.00 10.24 C ATOM 1505 OH TYR E 214 44.871 52.298 28.225 1.00 10.26 O ATOM 1506 N GLY E 215 44.402 45.221 23.382 1.00 10.44 N ATOM 1507 CA GLY E 215 44.448 43.835 22.990 1.00 10.48 C ATOM 1508 C GLY E 215 45.603 43.509 22.085 1.00 10.88 C ATOM 1509 O GLY E 215 46.242 44.407 21.537 1.00 9.85 O ATOM 1510 N ALA E 216 45.863 42.201 21.965 1.00 10.34 N ATOM 1511 CA ALA E 216 46.982 41.677 21.199 1.00 10.99 C ATOM 1512 C ALA E 216 46.556 41.314 19.785 1.00 11.55 C ATOM 1513 O ALA E 216 45.652 40.498 19.601 1.00 11.75 O ATOM 1514 CB ALA E 216 47.557 40.442 21.906 1.00 11.32 C ATOM 1515 N TYR E 217 47.211 41.927 18.796 1.00 11.17 N ATOM 1516 CA TYR E 217 46.946 41.607 17.387 1.00 11.39 C ATOM 1517 C TYR E 217 48.272 41.134 16.756 1.00 11.83 C ATOM 1518 O TYR E 217 49.391 41.329 17.318 1.00 10.75 O ATOM 1519 CB TYR E 217 46.517 42.879 16.635 1.00 12.00 C ATOM 1520 CG TYR E 217 45.083 43.348 16.752 1.00 14.79 C ATOM 1521 CD1 TYR E 217 44.200 42.712 17.576 1.00 13.66 C ATOM 1522 CD2 TYR E 217 44.628 44.451 16.003 1.00 14.94 C ATOM 1523 CE1 TYR E 217 42.840 43.112 17.642 1.00 13.50 C ATOM 1524 CE2 TYR E 217 43.272 44.893 16.054 1.00 16.47 C ATOM 1525 CZ TYR E 217 42.402 44.213 16.877 1.00 16.83 C ATOM 1526 OH TYR E 217 41.096 44.614 16.953 1.00 18.15 O ATOM 1527 N ASN E 218 48.138 40.474 15.591 1.00 11.73 N ATOM 1528 CA ASN E 218 49.255 39.913 14.824 1.00 10.65 C ATOM 1529 C ASN E 218 49.201 40.495 13.436 1.00 10.12 C ATOM 1530 O ASN E 218 48.121 40.800 12.944 1.00 12.14 O ATOM 1531 CB ASN E 218 49.114 38.368 14.650 1.00 11.83 C ATOM 1532 CG ASN E 218 48.946 37.649 15.960 1.00 15.53 C ATOM 1533 OD1 ASN E 218 49.829 37.622 16.777 1.00 16.27 O ATOM 1534 ND2 ASN E 218 47.789 37.024 16.142 1.00 23.73 N ATOM 1535 N GLY E 219 50.364 40.698 12.807 1.00 10.53 N ATOM 1536 CA GLY E 219 50.345 41.084 11.406 1.00 9.93 C ATOM 1537 C GLY E 219 51.527 41.960 11.054 1.00 9.57 C ATOM 1538 O GLY E 219 52.166 42.563 11.932 1.00 9.21 O ATOM 1539 N THR E 220 51.798 42.072 9.754 1.00 10.41 N ATOM 1540 CA THR E 220 52.775 43.103 9.350 1.00 10.01 C ATOM 1541 C THR E 220 52.233 44.496 9.642 1.00 9.77 C ATOM 1542 O THR E 220 53.017 45.442 9.749 1.00 10.32 O ATOM 1543 CB THR E 220 53.253 42.951 7.870 1.00 10.08 C ATOM 1544 OG1 THR E 220 52.136 42.909 6.969 1.00 10.37 O ATOM 1545 CG2 THR E 220 54.065 41.604 7.737 1.00 11.49 C ATOM 1546 N SER E 221 50.921 44.645 9.749 1.00 10.27 N ATOM 1547 CA SER E 221 50.334 45.904 10.246 1.00 9.51 C ATOM 1548 C SER E 221 50.861 46.342 11.609 1.00 9.84 C ATOM 1549 O SER E 221 50.886 47.538 11.905 1.00 9.95 O ATOM 1550 CB SER E 221 48.838 45.758 10.472 1.00 10.25 C ATOM 1551 OG SER E 221 48.094 45.918 9.279 1.00 10.38 O ATOM 1552 N MET E 222 51.189 45.379 12.447 1.00 8.98 N ATOM 1553 CA MET E 222 51.700 45.667 13.799 1.00 9.12 C ATOM 1554 C MET E 222 53.186 45.943 13.765 1.00 9.24 C ATOM 1555 O MET E 222 53.719 46.642 14.635 1.00 9.44 O ATOM 1556 CB MET E 222 51.440 44.462 14.737 1.00 10.09 C ATOM 1557 CG MET E 222 49.951 44.332 15.245 1.00 9.45 C ATOM 1558 SD MET E 222 48.675 44.102 13.951 1.00 11.44 S ATOM 1559 CE MET E 222 48.001 45.728 13.882 1.00 11.54 C ATOM 1560 N ALA E 223 53.878 45.396 12.776 1.00 9.34 N ATOM 1561 CA ALA E 223 55.322 45.583 12.664 1.00 9.29 C ATOM 1562 C ALA E 223 55.631 46.983 12.137 1.00 8.50 C ATOM 1563 O ALA E 223 56.489 47.680 12.680 1.00 9.15 O ATOM 1564 CB ALA E 223 55.906 44.519 11.702 1.00 9.84 C ATOM 1565 N SER E 224 54.919 47.384 11.088 1.00 9.25 N ATOM 1566 CA SER E 224 55.116 48.710 10.463 1.00 7.81 C ATOM 1567 C SER E 224 55.167 49.895 11.475 1.00 8.82 C ATOM 1568 O SER E 224 56.098 50.692 11.383 1.00 9.11 O ATOM 1569 CB SER E 224 54.031 48.948 9.379 1.00 9.19 C ATOM 1570 OG SER E 224 54.246 50.166 8.671 1.00 10.08 O ATOM 1571 N PRO E 225 54.214 50.046 12.392 1.00 8.49 N ATOM 1572 CA PRO E 225 54.238 51.194 13.314 1.00 8.73 C ATOM 1573 C PRO E 225 55.397 51.160 14.300 1.00 9.28 C ATOM 1574 O PRO E 225 55.751 52.220 14.823 1.00 9.53 O ATOM 1575 CB PRO E 225 52.871 51.123 14.031 1.00 9.32 C ATOM 1576 CG PRO E 225 52.540 49.560 13.934 1.00 8.47 C ATOM 1577 CD PRO E 225 52.977 49.257 12.530 1.00 9.28 C ATOM 1578 N HIS E 226 56.019 50.012 14.537 1.00 8.12 N ATOM 1579 CA HIS E 226 57.260 50.068 15.315 1.00 8.24 C ATOM 1580 C HIS E 226 58.316 50.848 14.559 1.00 7.86 C ATOM 1581 O HIS E 226 59.078 51.597 15.185 1.00 8.31 O ATOM 1582 CB HIS E 226 57.805 48.649 15.591 1.00 7.75 C ATOM 1583 CG HIS E 226 57.039 47.846 16.625 1.00 8.94 C ATOM 1584 ND1 HIS E 226 55.945 47.057 16.307 1.00 9.72 N ATOM 1585 CD2 HIS E 226 57.246 47.690 17.956 1.00 9.55 C ATOM 1586 CE1 HIS E 226 55.503 46.469 17.416 1.00 8.22 C ATOM 1587 NE2 HIS E 226 56.281 46.814 18.424 1.00 8.49 N ATOM 1588 N VAL E 227 58.361 50.661 13.223 1.00 8.73 N ATOM 1589 CA VAL E 227 59.354 51.354 12.397 1.00 9.23 C ATOM 1590 C VAL E 227 58.958 52.815 12.213 1.00 8.80 C ATOM 1591 O VAL E 227 59.843 53.686 12.250 1.00 9.01 O ATOM 1592 CB VAL E 227 59.518 50.615 11.072 1.00 9.08 C ATOM 1593 CG1 VAL E 227 60.551 51.319 10.136 1.00 8.91 C ATOM 1594 CG2 VAL E 227 59.984 49.151 11.357 1.00 10.07 C ATOM 1595 N ALA E 228 57.662 53.106 12.056 1.00 8.62 N ATOM 1596 CA ALA E 228 57.235 54.513 11.925 1.00 8.10 C ATOM 1597 C ALA E 228 57.518 55.222 13.253 1.00 9.43 C ATOM 1598 O ALA E 228 57.989 56.359 13.255 1.00 8.81 O ATOM 1599 CB ALA E 228 55.722 54.569 11.586 1.00 9.04 C ATOM 1600 N GLY E 229 57.202 54.576 14.390 1.00 8.20 N ATOM 1601 CA GLY E 229 57.563 55.169 15.689 1.00 8.87 C ATOM 1602 C GLY E 229 59.061 55.345 15.841 1.00 9.17 C ATOM 1603 O GLY E 229 59.522 56.377 16.368 1.00 8.50 O ATOM 1604 N ALA E 230 59.834 54.385 15.355 1.00 8.04 N ATOM 1605 CA ALA E 230 61.318 54.497 15.486 1.00 8.18 C ATOM 1606 C ALA E 230 61.799 55.703 14.671 1.00 8.26 C ATOM 1607 O ALA E 230 62.677 56.424 15.112 1.00 8.81 O ATOM 1608 CB ALA E 230 62.015 53.216 14.995 1.00 9.86 C ATOM 1609 N ALA E 231 61.201 55.909 13.510 1.00 8.52 N ATOM 1610 CA ALA E 231 61.560 57.078 12.685 1.00 8.79 C ATOM 1611 C ALA E 231 61.272 58.369 13.444 1.00 8.92 C ATOM 1612 O ALA E 231 62.075 59.332 13.384 1.00 9.27 O ATOM 1613 CB ALA E 231 60.741 57.044 11.368 1.00 8.14 C ATOM 1614 N ALA E 232 60.144 58.413 14.157 1.00 9.48 N ATOM 1615 CA ALA E 232 59.857 59.600 14.962 1.00 8.63 C ATOM 1616 C ALA E 232 60.836 59.775 16.110 1.00 10.10 C ATOM 1617 O ALA E 232 61.193 60.918 16.422 1.00 9.26 O ATOM 1618 CB ALA E 232 58.391 59.549 15.477 1.00 8.80 C ATOM 1619 N LEU E 233 61.254 58.684 16.770 1.00 8.63 N ATOM 1620 CA LEU E 233 62.248 58.845 17.837 1.00 8.85 C ATOM 1621 C LEU E 233 63.532 59.423 17.237 1.00 9.14 C ATOM 1622 O LEU E 233 64.145 60.328 17.818 1.00 9.96 O ATOM 1623 CB LEU E 233 62.611 57.479 18.443 1.00 8.39 C ATOM 1624 CG LEU E 233 61.477 56.910 19.313 1.00 8.36 C ATOM 1625 CD1 LEU E 233 61.911 55.505 19.832 1.00 7.81 C ATOM 1626 CD2 LEU E 233 61.138 57.861 20.491 1.00 9.40 C ATOM 1627 N ILE E 234 63.939 58.866 16.089 1.00 10.09 N ATOM 1628 CA ILE E 234 65.195 59.305 15.456 1.00 9.70 C ATOM 1629 C ILE E 234 65.131 60.798 15.092 1.00 10.23 C ATOM 1630 O ILE E 234 66.091 61.535 15.406 1.00 9.97 O ATOM 1631 CB ILE E 234 65.498 58.447 14.218 1.00 8.99 C ATOM 1632 CG1 ILE E 234 65.854 57.043 14.665 1.00 7.86 C ATOM 1633 CG2 ILE E 234 66.653 59.096 13.409 1.00 10.78 C ATOM 1634 CD1 ILE E 234 65.742 55.992 13.531 1.00 9.83 C ATOM 1635 N LEU E 235 64.010 61.232 14.512 1.00 9.66 N ATOM 1636 CA LEU E 235 63.855 62.639 14.145 1.00 9.78 C ATOM 1637 C LEU E 235 63.798 63.514 15.378 1.00 10.93 C ATOM 1638 O LEU E 235 64.251 64.643 15.327 1.00 12.39 O ATOM 1639 CB LEU E 235 62.608 62.830 13.292 1.00 8.93 C ATOM 1640 CG LEU E 235 62.791 62.317 11.874 1.00 10.14 C ATOM 1641 CD1 LEU E 235 61.398 62.242 11.214 1.00 12.10 C ATOM 1642 CD2 LEU E 235 63.737 63.265 11.072 1.00 10.53 C ATOM 1643 N SER E 236 63.232 63.021 16.478 1.00 9.53 N ATOM 1644 CA SER E 236 63.230 63.855 17.715 1.00 10.65 C ATOM 1645 C SER E 236 64.632 64.074 18.272 1.00 10.66 C ATOM 1646 O SER E 236 64.908 65.132 18.886 1.00 13.26 O ATOM 1647 CB SER E 236 62.235 63.330 18.762 1.00 10.90 C ATOM 1648 OG SER E 236 62.692 62.140 19.403 1.00 11.04 O ATOM 1649 N LYS E 237 65.536 63.133 18.045 1.00 10.38 N ATOM 1650 CA LYS E 237 66.937 63.274 18.492 1.00 10.83 C ATOM 1651 C LYS E 237 67.764 64.027 17.430 1.00 12.04 C ATOM 1652 O LYS E 237 68.727 64.753 17.787 1.00 11.98 O ATOM 1653 CB LYS E 237 67.573 61.919 18.769 1.00 10.48 C ATOM 1654 CG LYS E 237 68.994 62.054 19.338 1.00 10.27 C ATOM 1655 CD LYS E 237 69.586 60.708 19.671 1.00 11.82 C ATOM 1656 CE LYS E 237 70.983 60.869 20.250 1.00 15.38 C ATOM 1657 NZ LYS E 237 71.654 59.539 20.498 1.00 16.23 N ATOM 1658 N HIS E 238 67.404 63.867 16.156 1.00 11.40 N ATOM 1659 CA HIS E 238 68.126 64.507 15.051 1.00 10.92 C ATOM 1660 C HIS E 238 67.142 65.223 14.137 1.00 11.45 C ATOM 1661 O HIS E 238 66.833 64.726 13.050 1.00 11.62 O ATOM 1662 CB HIS E 238 68.913 63.445 14.240 1.00 9.82 C ATOM 1663 CG HIS E 238 69.927 62.706 15.038 1.00 11.40 C ATOM 1664 ND1 HIS E 238 71.191 63.212 15.293 1.00 10.72 N ATOM 1665 CD2 HIS E 238 69.878 61.472 15.606 1.00 10.67 C ATOM 1666 CE1 HIS E 238 71.866 62.316 16.015 1.00 10.89 C ATOM 1667 NE2 HIS E 238 71.074 61.265 16.230 1.00 10.76 N ATOM 1668 N PRO E 239 66.586 66.359 14.569 1.00 12.37 N ATOM 1669 CA PRO E 239 65.475 67.002 13.842 1.00 14.17 C ATOM 1670 C PRO E 239 65.841 67.509 12.450 1.00 14.40 C ATOM 1671 O PRO E 239 64.937 67.731 11.646 1.00 17.63 O ATOM 1672 CB PRO E 239 65.058 68.194 14.752 1.00 15.40 C ATOM 1673 CG PRO E 239 65.699 67.979 16.022 1.00 17.20 C ATOM 1674 CD PRO E 239 66.878 67.020 15.863 1.00 13.00 C ATOM 1675 N ASN E 240 67.115 67.634 12.155 1.00 14.30 N ATOM 1676 CA ASN E 240 67.488 68.015 10.790 1.00 14.90 C ATOM 1677 C AASN E 240 67.789 66.900 9.865 0.50 14.42 C ATOM 1678 C BASN E 240 68.107 66.884 9.951 0.50 14.88 C ATOM 1679 O AASN E 240 68.070 67.181 8.687 0.50 13.27 O ATOM 1680 O BASN E 240 68.750 67.095 8.901 0.50 14.51 O ATOM 1681 CB AASN E 240 68.806 68.827 10.922 0.50 14.49 C ATOM 1682 CB BASN E 240 68.186 69.365 10.710 0.50 16.33 C ATOM 1683 CG AASN E 240 68.515 70.299 11.098 0.50 13.84 C ATOM 1684 CG BASN E 240 69.435 69.309 11.422 0.50 14.74 C ATOM 1685 OD1AASN E 240 67.416 70.721 10.782 0.50 14.27 O ATOM 1686 OD1BASN E 240 69.716 68.268 12.006 0.50 18.18 O ATOM 1687 ND2AASN E 240 69.460 71.076 11.628 0.50 9.49 N ATOM 1688 ND2BASN E 240 70.225 70.378 11.404 0.50 15.52 N ATOM 1689 N TRP E 241 67.835 65.661 10.384 1.00 13.43 N ATOM 1690 CA TRP E 241 68.067 64.500 9.503 1.00 12.64 C ATOM 1691 C TRP E 241 66.933 64.420 8.481 1.00 12.43 C ATOM 1692 O TRP E 241 65.771 64.662 8.791 1.00 13.32 O ATOM 1693 CB TRP E 241 68.125 63.170 10.267 1.00 12.41 C ATOM 1694 CG TRP E 241 69.458 62.932 10.886 1.00 12.84 C ATOM 1695 CD1 TRP E 241 70.518 63.836 10.992 1.00 12.43 C ATOM 1696 CD2 TRP E 241 69.897 61.734 11.529 1.00 11.77 C ATOM 1697 NE1 TRP E 241 71.572 63.243 11.643 1.00 13.13 N ATOM 1698 CE2 TRP E 241 71.238 61.948 11.965 1.00 12.30 C ATOM 1699 CE3 TRP E 241 69.310 60.471 11.774 1.00 12.26 C ATOM 1700 CZ2 TRP E 241 71.958 60.989 12.652 1.00 12.62 C ATOM 1701 CZ3 TRP E 241 70.045 59.503 12.446 1.00 11.02 C ATOM 1702 CH2 TRP E 241 71.368 59.774 12.890 1.00 13.12 C ATOM 1703 N THR E 242 67.301 64.159 7.233 1.00 10.78 N ATOM 1704 CA THR E 242 66.326 63.976 6.173 1.00 11.32 C ATOM 1705 C THR E 242 65.702 62.611 6.289 1.00 10.26 C ATOM 1706 O THR E 242 66.210 61.718 6.988 1.00 10.86 O ATOM 1707 CB THR E 242 67.037 64.005 4.791 1.00 11.51 C ATOM 1708 OG1 THR E 242 68.020 62.964 4.749 1.00 13.20 O ATOM 1709 CG2 THR E 242 67.797 65.345 4.627 1.00 14.80 C ATOM 1710 N ASN E 243 64.611 62.455 5.568 1.00 10.04 N ATOM 1711 CA ASN E 243 64.047 61.102 5.433 1.00 10.25 C ATOM 1712 C ASN E 243 65.070 60.098 4.890 1.00 10.41 C ATOM 1713 O ASN E 243 65.121 58.979 5.366 1.00 12.02 O ATOM 1714 CB ASN E 243 62.741 61.077 4.633 1.00 10.16 C ATOM 1715 CG ASN E 243 62.860 61.660 3.212 1.00 12.14 C ATOM 1716 OD1 ASN E 243 63.787 62.410 2.882 1.00 12.64 O ATOM 1717 ND2 ASN E 243 61.866 61.353 2.380 1.00 12.58 N ATOM 1718 N THR E 244 65.882 60.497 3.908 1.00 10.86 N ATOM 1719 CA THR E 244 66.955 59.626 3.417 1.00 12.29 C ATOM 1720 C THR E 244 67.833 59.119 4.537 1.00 12.99 C ATOM 1721 O THR E 244 68.136 57.931 4.607 1.00 11.98 O ATOM 1722 CB THR E 244 67.846 60.464 2.470 1.00 12.53 C ATOM 1723 OG1 THR E 244 67.009 61.158 1.539 1.00 13.26 O ATOM 1724 CG2 THR E 244 68.777 59.565 1.660 1.00 15.22 C ATOM 1725 N GLN E 245 68.246 60.035 5.415 1.00 11.62 N ATOM 1726 CA GLN E 245 69.096 59.703 6.533 1.00 11.68 C ATOM 1727 C GLN E 245 68.388 58.841 7.567 1.00 10.87 C ATOM 1728 O GLN E 245 69.018 57.939 8.134 1.00 12.39 O ATOM 1729 CB GLN E 245 69.615 60.974 7.182 1.00 11.25 C ATOM 1730 CG AGLN E 245 70.389 60.764 8.451 0.50 11.46 C ATOM 1731 CG BGLN E 245 70.645 61.723 6.354 0.50 13.44 C ATOM 1732 CD AGLN E 245 71.625 59.879 8.346 0.50 12.22 C ATOM 1733 CD BGLN E 245 70.964 63.103 6.936 0.50 13.32 C ATOM 1734 OE1AGLN E 245 72.167 59.463 9.383 0.50 13.00 O ATOM 1735 OE1BGLN E 245 70.143 64.023 6.898 0.50 16.37 O ATOM 1736 NE2AGLN E 245 72.103 59.630 7.138 0.50 10.28 N ATOM 1737 NE2BGLN E 245 72.158 63.244 7.455 0.50 17.06 N ATOM 1738 N VAL E 246 67.108 59.136 7.822 1.00 10.84 N ATOM 1739 CA VAL E 246 66.369 58.306 8.808 1.00 10.61 C ATOM 1740 C VAL E 246 66.261 56.888 8.275 1.00 10.45 C ATOM 1741 O VAL E 246 66.528 55.926 8.991 1.00 11.22 O ATOM 1742 CB VAL E 246 64.985 58.903 9.091 1.00 9.39 C ATOM 1743 CG1 VAL E 246 64.161 57.955 9.994 1.00 10.65 C ATOM 1744 CG2 VAL E 246 65.154 60.257 9.807 1.00 10.69 C ATOM 1745 N ARG E 247 65.905 56.761 7.010 1.00 10.45 N ATOM 1746 CA ARG E 247 65.755 55.453 6.416 1.00 10.55 C ATOM 1747 C ARG E 247 67.092 54.713 6.439 1.00 10.82 C ATOM 1748 O ARG E 247 67.141 53.532 6.854 1.00 11.34 O ATOM 1749 CB ARG E 247 65.230 55.604 4.976 1.00 10.97 C ATOM 1750 CG ARG E 247 65.258 54.272 4.202 1.00 10.59 C ATOM 1751 CD ARG E 247 64.467 54.313 2.954 1.00 10.49 C ATOM 1752 NE ARG E 247 64.441 52.964 2.358 1.00 12.31 N ATOM 1753 CZ ARG E 247 63.651 52.646 1.306 1.00 13.21 C ATOM 1754 NH1 ARG E 247 62.808 53.546 0.764 1.00 13.35 N ATOM 1755 NH2 ARG E 247 63.703 51.397 0.819 1.00 17.05 N ATOM 1756 N SER E 248 68.175 55.363 5.991 1.00 10.87 N ATOM 1757 CA SER E 248 69.482 54.682 6.059 1.00 11.83 C ATOM 1758 C SER E 248 69.862 54.306 7.479 1.00 11.38 C ATOM 1759 O SER E 248 70.408 53.229 7.693 1.00 11.42 O ATOM 1760 CB SER E 248 70.633 55.485 5.428 1.00 12.44 C ATOM 1761 OG ASER E 248 70.381 55.840 4.084 0.67 13.73 O ATOM 1762 OG BSER E 248 70.802 56.740 6.002 0.33 10.81 O ATOM 1763 N SER E 249 69.565 55.159 8.461 1.00 10.54 N ATOM 1764 CA SER E 249 69.963 54.851 9.813 1.00 10.53 C ATOM 1765 C SER E 249 69.279 53.586 10.290 1.00 11.19 C ATOM 1766 O SER E 249 69.916 52.779 10.980 1.00 11.57 O ATOM 1767 CB SER E 249 69.683 56.019 10.789 1.00 11.36 C ATOM 1768 OG ASER E 249 70.160 57.249 10.316 0.33 11.95 O ATOM 1769 OG BSER E 249 68.328 56.121 11.106 0.67 10.11 O ATOM 1770 N LEU E 250 68.014 53.411 9.938 1.00 10.35 N ATOM 1771 CA LEU E 250 67.302 52.167 10.353 1.00 11.14 C ATOM 1772 C LEU E 250 67.816 50.938 9.611 1.00 11.50 C ATOM 1773 O LEU E 250 68.035 49.887 10.208 1.00 12.42 O ATOM 1774 CB LEU E 250 65.815 52.342 10.104 1.00 12.20 C ATOM 1775 CG LEU E 250 65.135 53.295 11.109 1.00 11.76 C ATOM 1776 CD1 LEU E 250 63.861 53.835 10.487 1.00 13.68 C ATOM 1777 CD2 LEU E 250 64.899 52.529 12.432 1.00 11.38 C ATOM 1778 N GLU E 251 68.058 51.089 8.319 1.00 10.63 N ATOM 1779 CA GLU E 251 68.557 49.965 7.503 1.00 10.49 C ATOM 1780 C GLU E 251 69.961 49.549 7.895 1.00 11.03 C ATOM 1781 O GLU E 251 70.275 48.353 7.873 1.00 11.29 O ATOM 1782 CB GLU E 251 68.532 50.365 6.026 1.00 11.11 C ATOM 1783 CG GLU E 251 67.135 50.459 5.482 1.00 11.69 C ATOM 1784 CD GLU E 251 67.099 51.113 4.112 1.00 14.81 C ATOM 1785 OE1 GLU E 251 68.096 51.735 3.673 1.00 15.78 O ATOM 1786 OE2 GLU E 251 66.023 50.982 3.485 1.00 15.07 O ATOM 1787 N ASN E 252 70.796 50.510 8.301 1.00 10.69 N ATOM 1788 CA ASN E 252 72.225 50.281 8.467 1.00 10.38 C ATOM 1789 C ASN E 252 72.566 49.783 9.859 1.00 10.64 C ATOM 1790 O ASN E 252 73.756 49.492 10.149 1.00 11.34 O ATOM 1791 CB ASN E 252 72.992 51.583 8.204 1.00 10.78 C ATOM 1792 CG ASN E 252 72.984 51.990 6.718 1.00 10.33 C ATOM 1793 OD1 ASN E 252 73.523 53.093 6.374 1.00 14.23 O ATOM 1794 ND2 ASN E 252 72.338 51.222 5.890 1.00 8.59 N ATOM 1795 N THR E 253 71.549 49.691 10.747 1.00 9.77 N ATOM 1796 CA THR E 253 71.813 49.336 12.143 1.00 10.59 C ATOM 1797 C THR E 253 70.906 48.194 12.629 1.00 10.55 C ATOM 1798 O THR E 253 70.835 47.957 13.828 1.00 11.77 O ATOM 1799 CB THR E 253 71.603 50.535 13.101 1.00 10.73 C ATOM 1800 OG1 THR E 253 70.236 51.035 13.007 1.00 10.87 O ATOM 1801 CG2 THR E 253 72.534 51.739 12.690 1.00 10.05 C ATOM 1802 N THR E 254 70.207 47.537 11.718 1.00 10.50 N ATOM 1803 CA THR E 254 69.443 46.353 12.093 1.00 10.72 C ATOM 1804 C THR E 254 70.346 45.296 12.723 1.00 10.42 C ATOM 1805 O THR E 254 71.549 45.228 12.490 1.00 11.10 O ATOM 1806 CB THR E 254 68.823 45.717 10.870 1.00 10.95 C ATOM 1807 OG1 THR E 254 69.890 45.532 9.899 1.00 12.06 O ATOM 1808 CG2 THR E 254 67.706 46.580 10.241 1.00 11.95 C ATOM 1809 N THR E 255 69.734 44.429 13.501 1.00 10.06 N ATOM 1810 CA THR E 255 70.365 43.161 13.891 1.00 11.08 C ATOM 1811 C THR E 255 70.038 42.156 12.785 1.00 12.21 C ATOM 1812 O THR E 255 68.877 41.818 12.550 1.00 11.87 O ATOM 1813 CB THR E 255 69.766 42.738 15.211 1.00 10.65 C ATOM 1814 OG1 THR E 255 70.239 43.633 16.234 1.00 12.60 O ATOM 1815 CG2 THR E 255 70.311 41.334 15.595 1.00 12.89 C ATOM 1816 N LYS E 256 71.056 41.709 12.047 1.00 12.70 N ATOM 1817 CA LYS E 256 70.793 40.841 10.904 1.00 12.96 C ATOM 1818 C LYS E 256 70.309 39.477 11.432 1.00 13.75 C ATOM 1819 O LYS E 256 70.774 39.001 12.473 1.00 14.75 O ATOM 1820 CB LYS E 256 72.067 40.681 10.040 1.00 14.57 C ATOM 1821 CG LYS E 256 72.534 42.002 9.353 1.00 15.23 C ATOM 1822 CD LYS E 256 72.059 42.077 7.873 1.00 15.93 C ATOM 1823 CE LYS E 256 72.344 43.470 7.292 1.00 14.85 C ATOM 1824 NZ LYS E 256 72.568 43.471 5.786 1.00 14.32 N ATOM 1825 N LEU E 257 69.354 38.918 10.698 1.00 14.81 N ATOM 1826 CA LEU E 257 68.670 37.684 11.105 1.00 16.88 C ATOM 1827 C LEU E 257 68.998 36.681 9.986 1.00 19.86 C ATOM 1828 O LEU E 257 70.171 36.517 9.636 1.00 24.15 O ATOM 1829 CB LEU E 257 67.170 37.951 11.351 1.00 15.42 C ATOM 1830 CG LEU E 257 66.884 38.961 12.496 1.00 15.70 C ATOM 1831 CD1 LEU E 257 65.363 39.200 12.675 1.00 16.34 C ATOM 1832 CD2 LEU E 257 67.576 38.532 13.810 1.00 18.69 C ATOM 1833 N GLY E 258 68.052 36.036 9.374 1.00 21.81 N ATOM 1834 CA GLY E 258 68.478 35.194 8.255 1.00 22.10 C ATOM 1835 C GLY E 258 68.700 35.804 6.879 1.00 22.32 C ATOM 1836 O GLY E 258 68.987 36.995 6.683 1.00 22.83 O ATOM 1837 N ASP E 259 68.514 34.946 5.874 1.00 21.97 N ATOM 1838 CA ASP E 259 68.528 35.375 4.496 1.00 20.92 C ATOM 1839 C ASP E 259 67.615 36.570 4.241 1.00 19.13 C ATOM 1840 O ASP E 259 66.473 36.596 4.727 1.00 17.49 O ATOM 1841 CB ASP E 259 68.108 34.225 3.593 1.00 22.53 C ATOM 1842 CG ASP E 259 68.362 34.538 2.155 1.00 27.84 C ATOM 1843 OD1 ASP E 259 69.458 34.169 1.659 1.00 37.36 O ATOM 1844 OD2 ASP E 259 67.596 35.196 1.441 1.00 26.65 O ATOM 1845 N SER E 260 68.115 37.546 3.487 1.00 17.80 N ATOM 1846 CA SER E 260 67.359 38.769 3.232 1.00 17.44 C ATOM 1847 C SER E 260 66.045 38.587 2.488 1.00 17.07 C ATOM 1848 O SER E 260 65.154 39.426 2.570 1.00 16.40 O ATOM 1849 CB SER E 260 68.232 39.819 2.550 1.00 18.62 C ATOM 1850 OG SER E 260 68.619 39.373 1.263 1.00 22.14 O ATOM 1851 N PHE E 261 65.903 37.482 1.748 1.00 17.38 N ATOM 1852 CA PHE E 261 64.635 37.217 1.108 1.00 16.28 C ATOM 1853 C PHE E 261 63.515 37.074 2.145 1.00 15.22 C ATOM 1854 O PHE E 261 62.368 37.454 1.886 1.00 15.96 O ATOM 1855 CB PHE E 261 64.762 35.894 0.290 1.00 17.38 C ATOM 1856 CG PHE E 261 63.598 35.602 -0.591 1.00 17.02 C ATOM 1857 CD1 PHE E 261 63.505 36.172 -1.863 1.00 19.33 C ATOM 1858 CD2 PHE E 261 62.582 34.724 -0.144 1.00 18.08 C ATOM 1859 CE1 PHE E 261 62.406 35.898 -2.683 1.00 19.28 C ATOM 1860 CE2 PHE E 261 61.475 34.425 -0.972 1.00 20.39 C ATOM 1861 CZ PHE E 261 61.382 35.029 -2.230 1.00 18.35 C ATOM 1862 N TYR E 262 63.866 36.546 3.314 1.00 15.54 N ATOM 1863 CA TYR E 262 62.884 36.247 4.361 1.00 16.48 C ATOM 1864 C TYR E 262 62.892 37.270 5.484 1.00 15.32 C ATOM 1865 O TYR E 262 61.886 37.441 6.162 1.00 14.13 O ATOM 1866 CB TYR E 262 63.153 34.861 4.958 1.00 17.23 C ATOM 1867 CG TYR E 262 63.016 33.749 3.939 1.00 21.02 C ATOM 1868 CD1 TYR E 262 61.755 33.275 3.570 1.00 22.65 C ATOM 1869 CD2 TYR E 262 64.150 33.185 3.343 1.00 24.04 C ATOM 1870 CE1 TYR E 262 61.606 32.258 2.606 1.00 25.27 C ATOM 1871 CE2 TYR E 262 64.018 32.165 2.376 1.00 26.09 C ATOM 1872 CZ TYR E 262 62.753 31.715 2.028 1.00 25.81 C ATOM 1873 OH TYR E 262 62.622 30.712 1.095 1.00 27.25 O ATOM 1874 N TYR E 263 64.037 37.926 5.662 1.00 14.09 N ATOM 1875 CA TYR E 263 64.224 38.808 6.823 1.00 13.76 C ATOM 1876 C TYR E 263 64.640 40.222 6.459 1.00 13.49 C ATOM 1877 O TYR E 263 64.875 41.027 7.383 1.00 13.13 O ATOM 1878 CB TYR E 263 65.273 38.217 7.773 1.00 13.07 C ATOM 1879 CG TYR E 263 64.781 37.038 8.574 1.00 13.77 C ATOM 1880 CD1 TYR E 263 64.188 37.230 9.832 1.00 14.43 C ATOM 1881 CD2 TYR E 263 64.933 35.720 8.097 1.00 16.12 C ATOM 1882 CE1 TYR E 263 63.737 36.139 10.602 1.00 14.64 C ATOM 1883 CE2 TYR E 263 64.486 34.612 8.860 1.00 17.70 C ATOM 1884 CZ TYR E 263 63.885 34.826 10.101 1.00 17.37 C ATOM 1885 OH TYR E 263 63.406 33.766 10.859 1.00 18.35 O ATOM 1886 N GLY E 264 64.782 40.532 5.171 1.00 13.54 N ATOM 1887 CA GLY E 264 65.348 41.817 4.757 1.00 12.91 C ATOM 1888 C GLY E 264 66.666 42.017 5.482 1.00 14.00 C ATOM 1889 O GLY E 264 67.447 41.066 5.677 1.00 14.69 O ATOM 1890 N LYS E 265 66.920 43.247 5.925 1.00 12.89 N ATOM 1891 CA LYS E 265 68.117 43.550 6.699 1.00 12.82 C ATOM 1892 C LYS E 265 68.128 43.098 8.180 1.00 12.04 C ATOM 1893 O LYS E 265 69.157 43.212 8.858 1.00 12.59 O ATOM 1894 CB LYS E 265 68.439 45.053 6.560 1.00 12.41 C ATOM 1895 CG LYS E 265 68.729 45.399 5.053 1.00 14.34 C ATOM 1896 CD LYS E 265 68.655 46.875 4.842 1.00 16.44 C ATOM 1897 CE LYS E 265 68.831 47.195 3.332 1.00 19.09 C ATOM 1898 NZ LYS E 265 67.652 46.737 2.477 1.00 21.36 N ATOM 1899 N GLY E 266 66.989 42.592 8.671 1.00 11.95 N ATOM 1900 CA GLY E 266 66.882 42.110 10.032 1.00 11.55 C ATOM 1901 C GLY E 266 66.004 43.051 10.867 1.00 10.74 C ATOM 1902 O GLY E 266 65.250 43.884 10.357 1.00 11.53 O ATOM 1903 N LEU E 267 66.173 42.904 12.173 1.00 11.29 N ATOM 1904 CA LEU E 267 65.331 43.579 13.159 1.00 10.80 C ATOM 1905 C LEU E 267 65.847 44.990 13.370 1.00 9.81 C ATOM 1906 O LEU E 267 67.026 45.186 13.660 1.00 10.49 O ATOM 1907 CB LEU E 267 65.422 42.827 14.492 1.00 10.90 C ATOM 1908 CG LEU E 267 64.741 43.529 15.688 1.00 9.20 C ATOM 1909 CD1 LEU E 267 63.220 43.457 15.520 1.00 11.32 C ATOM 1910 CD2 LEU E 267 65.156 42.825 16.960 1.00 12.59 C ATOM 1911 N ILE E 268 64.953 45.987 13.317 1.00 9.66 N ATOM 1912 CA ILE E 268 65.429 47.332 13.614 1.00 9.71 C ATOM 1913 C ILE E 268 65.874 47.492 15.068 1.00 9.92 C ATOM 1914 O ILE E 268 65.398 46.790 16.001 1.00 9.64 O ATOM 1915 CB ILE E 268 64.354 48.364 13.298 1.00 9.82 C ATOM 1916 CG1 ILE E 268 63.103 48.157 14.143 1.00 9.47 C ATOM 1917 CG2 ILE E 268 64.026 48.399 11.798 1.00 9.94 C ATOM 1918 CD1 ILE E 268 62.340 49.537 14.413 1.00 10.47 C ATOM 1919 N ASN E 269 66.832 48.412 15.242 1.00 10.22 N ATOM 1920 CA ASN E 269 67.395 48.705 16.525 1.00 9.87 C ATOM 1921 C ASN E 269 67.487 50.235 16.579 1.00 9.69 C ATOM 1922 O ASN E 269 68.403 50.820 15.981 1.00 9.88 O ATOM 1923 CB ASN E 269 68.781 48.067 16.627 1.00 10.14 C ATOM 1924 CG ASN E 269 69.548 48.529 17.872 1.00 11.35 C ATOM 1925 OD1 ASN E 269 69.163 49.494 18.590 1.00 11.22 O ATOM 1926 ND2 ASN E 269 70.660 47.830 18.151 1.00 11.94 N ATOM 1927 N VAL E 270 66.511 50.868 17.218 1.00 9.31 N ATOM 1928 CA VAL E 270 66.448 52.339 17.148 1.00 9.08 C ATOM 1929 C VAL E 270 67.561 52.996 17.992 1.00 9.92 C ATOM 1930 O VAL E 270 67.981 54.119 17.672 1.00 10.17 O ATOM 1931 CB VAL E 270 65.044 52.844 17.520 1.00 9.30 C ATOM 1932 CG1 VAL E 270 64.735 52.619 18.969 1.00 12.46 C ATOM 1933 CG2 VAL E 270 64.884 54.339 17.144 1.00 11.76 C ATOM 1934 N GLN E 271 68.075 52.305 19.027 1.00 9.90 N ATOM 1935 CA GLN E 271 69.219 52.825 19.784 1.00 9.85 C ATOM 1936 C GLN E 271 70.407 53.032 18.859 1.00 10.67 C ATOM 1937 O GLN E 271 71.020 54.118 18.824 1.00 11.29 O ATOM 1938 CB GLN E 271 69.541 51.901 20.972 1.00 11.20 C ATOM 1939 CG GLN E 271 70.810 52.333 21.694 1.00 13.29 C ATOM 1940 CD GLN E 271 71.144 51.358 22.820 1.00 14.87 C ATOM 1941 OE1 GLN E 271 70.870 50.148 22.700 1.00 17.91 O ATOM 1942 NE2 GLN E 271 71.650 51.889 23.946 1.00 15.91 N ATOM 1943 N ALA E 272 70.739 51.992 18.114 1.00 9.82 N ATOM 1944 CA ALA E 272 71.871 52.072 17.176 1.00 10.44 C ATOM 1945 C ALA E 272 71.601 53.041 16.031 1.00 11.05 C ATOM 1946 O ALA E 272 72.497 53.796 15.621 1.00 11.57 O ATOM 1947 CB ALA E 272 72.171 50.688 16.643 1.00 11.12 C ATOM 1948 N ALA E 273 70.345 53.103 15.571 1.00 9.54 N ATOM 1949 CA ALA E 273 69.997 53.967 14.452 1.00 8.99 C ATOM 1950 C ALA E 273 70.206 55.434 14.828 1.00 10.35 C ATOM 1951 O ALA E 273 70.513 56.282 13.973 1.00 10.96 O ATOM 1952 CB ALA E 273 68.519 53.759 14.061 1.00 8.84 C ATOM 1953 N ALA E 274 69.947 55.744 16.099 1.00 10.47 N ATOM 1954 CA ALA E 274 69.923 57.162 16.486 1.00 10.80 C ATOM 1955 C ALA E 274 71.303 57.653 16.931 1.00 11.97 C ATOM 1956 O ALA E 274 71.413 58.786 17.398 1.00 13.44 O ATOM 1957 CB ALA E 274 68.831 57.369 17.580 1.00 11.19 C ATOM 1958 N GLN E 275 72.340 56.821 16.792 1.00 12.77 N ATOM 1959 CA GLN E 275 73.717 57.261 17.010 1.00 13.26 C ATOM 1960 C GLN E 275 74.217 57.936 15.756 1.00 13.71 C ATOM 1961 O GLN E 275 73.603 57.793 14.714 1.00 14.90 O ATOM 1962 CB GLN E 275 74.609 56.053 17.339 1.00 14.01 C ATOM 1963 CG GLN E 275 74.294 55.425 18.722 1.00 16.01 C ATOM 1964 CD GLN E 275 74.451 56.462 19.875 1.00 23.75 C ATOM 1965 OE1 GLN E 275 73.479 57.158 20.279 1.00 30.04 O ATOM 1966 NE2 GLN E 275 75.675 56.616 20.354 1.00 29.77 N ATOM 1967 N AHIS E 276 75.331 58.663 15.808 0.50 14.43 N ATOM 1968 N BHIS E 276 75.353 58.659 15.920 0.50 14.22 N ATOM 1969 CA AHIS E 276 75.826 59.221 14.547 0.50 14.49 C ATOM 1970 CA BHIS E 276 76.090 59.347 14.838 0.50 14.66 C ATOM 1971 C AHIS E 276 76.445 58.144 13.682 0.50 15.33 C ATOM 1972 C BHIS E 276 76.600 58.348 13.802 0.50 15.12 C ATOM 1973 O AHIS E 276 76.186 58.078 12.486 0.50 16.90 O ATOM 1974 O BHIS E 276 76.437 58.572 12.605 0.50 15.30 O ATOM 1975 CB AHIS E 276 76.821 60.325 14.800 0.50 14.69 C ATOM 1976 CB BHIS E 276 77.318 60.135 15.381 0.50 14.33 C ATOM 1977 CG AHIS E 276 76.171 61.611 15.186 0.50 12.53 C ATOM 1978 CG BHIS E 276 76.997 61.159 16.438 0.50 13.76 C ATOM 1979 ND1AHIS E 276 76.243 62.127 16.459 0.50 12.65 N ATOM 1980 ND1BHIS E 276 76.079 62.175 16.250 0.50 14.71 N ATOM 1981 CD2AHIS E 276 75.414 62.475 14.472 0.50 11.19 C ATOM 1982 CD2BHIS E 276 77.497 61.331 17.691 0.50 15.45 C ATOM 1983 CE1AHIS E 276 75.572 63.265 16.511 0.50 11.81 C ATOM 1984 CE1BHIS E 276 76.021 62.921 17.344 0.50 17.88 C ATOM 1985 NE2AHIS E 276 75.070 63.506 15.316 0.50 10.72 N ATOM 1986 NE2BHIS E 276 76.853 62.416 18.242 0.50 17.57 N ATOM 1987 N HIS E 277 77.241 57.285 14.291 1.00 15.36 N ATOM 1988 CA HIS E 277 77.875 56.247 13.490 1.00 18.07 C ATOM 1989 C HIS E 277 77.103 54.962 13.540 1.00 15.31 C ATOM 1990 O HIS E 277 76.676 54.524 14.592 1.00 16.88 O ATOM 1991 CB HIS E 277 79.304 56.067 13.932 1.00 20.47 C ATOM 1992 CG HIS E 277 80.091 57.333 13.762 1.00 28.69 C ATOM 1993 ND1 HIS E 277 80.581 58.054 14.832 1.00 35.40 N ATOM 1994 CD2 HIS E 277 80.327 58.088 12.660 1.00 34.47 C ATOM 1995 CE1 HIS E 277 81.155 59.159 14.386 1.00 35.23 C ATOM 1996 NE2 HIS E 277 81.002 59.213 13.076 1.00 36.16 N ATOM 1997 N HIS E 278 76.842 54.437 12.362 1.00 14.48 N ATOM 1998 CA HIS E 278 75.953 53.288 12.253 1.00 13.06 C ATOM 1999 C HIS E 278 76.655 51.993 11.926 1.00 13.15 C ATOM 2000 O HIS E 278 77.463 51.941 10.998 1.00 14.35 O ATOM 2001 CB HIS E 278 74.951 53.572 11.149 1.00 12.74 C ATOM 2002 CG HIS E 278 74.105 54.781 11.444 1.00 13.13 C ATOM 2003 ND1 HIS E 278 73.801 55.742 10.503 1.00 15.81 N ATOM 2004 CD2 HIS E 278 73.525 55.183 12.603 1.00 16.43 C ATOM 2005 CE1 HIS E 278 73.077 56.695 11.077 1.00 16.40 C ATOM 2006 NE2 HIS E 278 72.891 56.372 12.347 1.00 15.90 N ATOM 2007 N HIS E 279 76.300 50.940 12.633 1.00 13.54 N ATOM 2008 CA HIS E 279 76.669 49.575 12.193 1.00 12.84 C ATOM 2009 C HIS E 279 75.662 48.611 12.739 1.00 12.34 C ATOM 2010 O HIS E 279 74.863 48.974 13.640 1.00 12.66 O ATOM 2011 CB HIS E 279 78.076 49.166 12.690 1.00 15.26 C ATOM 2012 CG HIS E 279 78.280 49.382 14.146 1.00 20.43 C ATOM 2013 ND1 HIS E 279 78.712 50.585 14.663 1.00 26.84 N ATOM 2014 CD2 HIS E 279 78.136 48.546 15.199 1.00 28.11 C ATOM 2015 CE1 HIS E 279 78.806 50.486 15.979 1.00 29.13 C ATOM 2016 NE2 HIS E 279 78.472 49.256 16.328 1.00 27.96 N ATOM 2017 N HIS E 280 75.691 47.398 12.185 1.00 11.52 N ATOM 2018 CA HIS E 280 74.784 46.331 12.610 1.00 11.34 C ATOM 2019 C HIS E 280 75.257 45.711 13.914 1.00 12.68 C ATOM 2020 O HIS E 280 76.467 45.582 14.158 1.00 13.37 O ATOM 2021 CB HIS E 280 74.707 45.252 11.544 1.00 10.94 C ATOM 2022 CG HIS E 280 74.143 45.746 10.243 1.00 12.36 C ATOM 2023 ND1 HIS E 280 72.803 46.026 10.085 1.00 11.81 N ATOM 2024 CD2 HIS E 280 74.726 45.991 9.041 1.00 11.79 C ATOM 2025 CE1 HIS E 280 72.580 46.433 8.845 1.00 10.84 C ATOM 2026 NE2 HIS E 280 73.734 46.418 8.187 1.00 12.10 N ATOM 2027 N HIS E 281 74.290 45.346 14.759 1.00 14.45 N ATOM 2028 CA HIS E 281 74.665 44.560 15.948 1.00 16.55 C ATOM 2029 C HIS E 281 74.192 43.142 15.810 1.00 16.86 C ATOM 2030 O HIS E 281 74.361 42.391 16.820 1.00 19.08 O ATOM 2031 CB HIS E 281 74.116 45.196 17.239 1.00 16.79 C ATOM 2032 CG HIS E 281 74.690 46.533 17.546 1.00 18.45 C ATOM 2033 ND1 HIS E 281 75.400 46.776 18.702 1.00 24.49 N ATOM 2034 CD2 HIS E 281 74.602 47.721 16.901 1.00 20.28 C ATOM 2035 CE1 HIS E 281 75.755 48.047 18.737 1.00 27.34 C ATOM 2036 NE2 HIS E 281 75.298 48.639 17.646 1.00 24.02 N ATOM 2037 OXT HIS E 281 73.698 42.725 14.762 1.00 17.55 O TER 2038 HIS E 281 ATOM 2039 N MET I 20 45.617 20.934 7.606 1.00 43.56 N ATOM 2040 CA MET I 20 44.519 21.943 7.740 1.00 42.79 C ATOM 2041 C MET I 20 44.504 22.916 6.545 1.00 40.70 C ATOM 2042 O MET I 20 45.509 23.580 6.249 1.00 40.85 O ATOM 2043 CB MET I 20 44.627 22.703 9.078 1.00 43.85 C ATOM 2044 CG MET I 20 43.452 23.653 9.375 1.00 46.40 C ATOM 2045 SD AMET I 20 43.555 24.470 10.988 0.50 47.83 S ATOM 2046 SD BMET I 20 41.930 22.793 9.856 0.50 49.05 S ATOM 2047 CE AMET I 20 45.117 25.393 10.813 0.50 47.78 C ATOM 2048 CE BMET I 20 41.339 22.239 8.255 0.50 49.15 C ATOM 2049 N LYS I 21 43.364 22.971 5.858 1.00 38.09 N ATOM 2050 CA LYS I 21 43.228 23.800 4.656 1.00 34.81 C ATOM 2051 C LYS I 21 43.142 25.265 5.028 1.00 32.01 C ATOM 2052 O LYS I 21 42.275 25.639 5.817 1.00 32.18 O ATOM 2053 CB LYS I 21 41.999 23.405 3.829 1.00 35.25 C ATOM 2054 CG LYS I 21 42.210 23.739 2.358 1.00 33.85 C ATOM 2055 CD LYS I 21 41.077 23.301 1.484 1.00 33.99 C ATOM 2056 CE LYS I 21 41.405 23.612 0.043 1.00 33.26 C ATOM 2057 NZ LYS I 21 40.518 22.876 -0.883 1.00 39.33 N ATOM 2058 N THR I 22 44.040 26.074 4.464 1.00 28.84 N ATOM 2059 CA THR I 22 44.049 27.528 4.683 1.00 26.16 C ATOM 2060 C THR I 22 44.032 28.363 3.394 1.00 24.00 C ATOM 2061 O THR I 22 44.060 29.594 3.443 1.00 23.48 O ATOM 2062 CB THR I 22 45.257 27.963 5.547 1.00 26.52 C ATOM 2063 OG1 THR I 22 46.464 27.664 4.863 1.00 27.85 O ATOM 2064 CG2 THR I 22 45.343 27.152 6.853 1.00 28.49 C ATOM 2065 N GLU I 23 44.004 27.712 2.234 1.00 21.10 N ATOM 2066 CA GLU I 23 43.882 28.440 0.966 1.00 20.26 C ATOM 2067 C GLU I 23 43.008 27.628 0.045 1.00 18.10 C ATOM 2068 O GLU I 23 43.013 26.384 0.110 1.00 17.33 O ATOM 2069 CB GLU I 23 45.238 28.648 0.274 1.00 22.63 C ATOM 2070 CG GLU I 23 46.408 28.879 1.235 1.00 29.70 C ATOM 2071 CD GLU I 23 47.483 29.809 0.686 1.00 37.76 C ATOM 2072 OE1 GLU I 23 48.039 30.585 1.501 1.00 39.86 O ATOM 2073 OE2 GLU I 23 47.792 29.756 -0.537 1.00 39.96 O ATOM 2074 N TRP I 24 42.297 28.326 -0.842 1.00 15.34 N ATOM 2075 CA TRP I 24 41.314 27.682 -1.735 1.00 15.11 C ATOM 2076 C TRP I 24 41.508 28.139 -3.180 1.00 15.86 C ATOM 2077 O TRP I 24 40.639 28.798 -3.767 1.00 14.63 O ATOM 2078 CB TRP I 24 39.869 27.991 -1.285 1.00 15.35 C ATOM 2079 CG TRP I 24 39.487 27.359 0.048 1.00 14.46 C ATOM 2080 CD1 TRP I 24 38.806 26.184 0.239 1.00 16.39 C ATOM 2081 CD2 TRP I 24 39.765 27.867 1.352 1.00 13.60 C ATOM 2082 NE1 TRP I 24 38.638 25.942 1.586 1.00 16.09 N ATOM 2083 CE2 TRP I 24 39.217 26.957 2.293 1.00 15.95 C ATOM 2084 CE3 TRP I 24 40.383 29.031 1.835 1.00 13.04 C ATOM 2085 CZ2 TRP I 24 39.309 27.146 3.672 1.00 15.83 C ATOM 2086 CZ3 TRP I 24 40.484 29.219 3.207 1.00 15.68 C ATOM 2087 CH2 TRP I 24 39.951 28.290 4.113 1.00 16.20 C ATOM 2088 N PRO I 25 42.628 27.790 -3.804 1.00 16.67 N ATOM 2089 CA PRO I 25 42.838 28.267 -5.189 1.00 17.59 C ATOM 2090 C PRO I 25 41.795 27.736 -6.183 1.00 17.71 C ATOM 2091 O PRO I 25 41.539 28.419 -7.179 1.00 19.10 O ATOM 2092 CB PRO I 25 44.246 27.772 -5.530 1.00 17.81 C ATOM 2093 CG PRO I 25 44.405 26.570 -4.656 1.00 18.60 C ATOM 2094 CD PRO I 25 43.736 26.938 -3.311 1.00 17.46 C ATOM 2095 N GLU I 26 41.164 26.615 -5.860 1.00 16.74 N ATOM 2096 CA GLU I 26 40.145 26.020 -6.721 1.00 18.13 C ATOM 2097 C GLU I 26 38.863 26.882 -6.774 1.00 17.61 C ATOM 2098 O GLU I 26 38.002 26.662 -7.634 1.00 18.60 O ATOM 2099 CB GLU I 26 39.855 24.579 -6.270 1.00 19.00 C ATOM 2100 CG GLU I 26 39.084 24.466 -4.961 1.00 21.14 C ATOM 2101 CD GLU I 26 39.947 24.579 -3.688 1.00 24.99 C ATOM 2102 OE1 GLU I 26 41.163 24.850 -3.752 1.00 25.08 O ATOM 2103 OE2 GLU I 26 39.385 24.367 -2.609 1.00 27.46 O ATOM 2104 N LEU I 27 38.741 27.854 -5.861 1.00 14.70 N ATOM 2105 CA LEU I 27 37.547 28.732 -5.872 1.00 14.53 C ATOM 2106 C LEU I 27 37.667 29.959 -6.800 1.00 14.55 C ATOM 2107 O LEU I 27 36.691 30.662 -7.023 1.00 14.70 O ATOM 2108 CB LEU I 27 37.193 29.150 -4.437 1.00 13.48 C ATOM 2109 CG LEU I 27 36.681 28.014 -3.531 1.00 16.16 C ATOM 2110 CD1 LEU I 27 36.464 28.591 -2.099 1.00 16.50 C ATOM 2111 CD2 LEU I 27 35.376 27.393 -4.080 1.00 16.02 C ATOM 2112 N VAL I 28 38.866 30.255 -7.314 1.00 14.43 N ATOM 2113 CA VAL I 28 39.002 31.397 -8.202 1.00 14.98 C ATOM 2114 C VAL I 28 38.112 31.179 -9.430 1.00 14.76 C ATOM 2115 O VAL I 28 38.094 30.083 -10.008 1.00 17.10 O ATOM 2116 CB VAL I 28 40.445 31.629 -8.609 1.00 14.71 C ATOM 2117 CG1 VAL I 28 40.506 32.764 -9.661 1.00 14.68 C ATOM 2118 CG2 VAL I 28 41.289 31.951 -7.363 1.00 16.73 C ATOM 2119 N GLY I 29 37.338 32.206 -9.783 1.00 15.00 N ATOM 2120 CA GLY I 29 36.428 32.107 -10.922 1.00 15.12 C ATOM 2121 C GLY I 29 35.057 31.537 -10.570 1.00 15.88 C ATOM 2122 O GLY I 29 34.152 31.563 -11.416 1.00 17.17 O ATOM 2123 N LYS I 30 34.882 31.038 -9.349 1.00 14.12 N ATOM 2124 CA LYS I 30 33.533 30.588 -8.909 1.00 13.56 C ATOM 2125 C LYS I 30 32.740 31.737 -8.356 1.00 13.55 C ATOM 2126 O LYS I 30 33.270 32.819 -8.115 1.00 13.57 O ATOM 2127 CB LYS I 30 33.632 29.493 -7.847 1.00 14.15 C ATOM 2128 CG LYS I 30 34.379 28.231 -8.309 1.00 19.20 C ATOM 2129 CD LYS I 30 33.660 27.481 -9.386 1.00 26.79 C ATOM 2130 CE LYS I 30 34.353 26.114 -9.643 1.00 31.29 C ATOM 2131 NZ LYS I 30 33.920 25.047 -8.669 1.00 36.19 N ATOM 2132 N SER I 31 31.445 31.516 -8.172 1.00 11.57 N ATOM 2133 CA SER I 31 30.608 32.550 -7.557 1.00 11.24 C ATOM 2134 C SER I 31 31.014 32.764 -6.097 1.00 12.11 C ATOM 2135 O SER I 31 31.485 31.847 -5.421 1.00 11.70 O ATOM 2136 CB SER I 31 29.132 32.149 -7.595 1.00 12.04 C ATOM 2137 OG SER I 31 28.901 30.977 -6.794 1.00 12.23 O ATOM 2138 N VAL I 32 30.750 33.968 -5.609 1.00 10.82 N ATOM 2139 CA VAL I 32 30.960 34.253 -4.179 1.00 11.80 C ATOM 2140 C VAL I 32 30.114 33.302 -3.306 1.00 12.07 C ATOM 2141 O VAL I 32 30.558 32.906 -2.230 1.00 11.85 O ATOM 2142 CB VAL I 32 30.715 35.757 -3.865 1.00 11.17 C ATOM 2143 CG1 VAL I 32 29.209 36.109 -3.982 1.00 12.48 C ATOM 2144 CG2 VAL I 32 31.249 36.099 -2.446 1.00 10.41 C ATOM 2145 N GLU I 33 28.917 32.920 -3.775 1.00 11.25 N ATOM 2146 CA GLU I 33 28.033 32.018 -3.028 1.00 11.36 C ATOM 2147 C GLU I 33 28.681 30.665 -2.866 1.00 11.44 C ATOM 2148 O GLU I 33 28.694 30.114 -1.754 1.00 10.93 O ATOM 2149 CB GLU I 33 26.664 31.882 -3.736 1.00 10.99 C ATOM 2150 CG GLU I 33 25.826 33.169 -3.691 1.00 11.51 C ATOM 2151 CD GLU I 33 26.142 34.183 -4.797 1.00 11.91 C ATOM 2152 OE1 GLU I 33 27.017 33.917 -5.670 1.00 11.98 O ATOM 2153 OE2 GLU I 33 25.467 35.257 -4.786 1.00 14.15 O ATOM 2154 N GLU I 34 29.192 30.105 -3.955 1.00 10.88 N ATOM 2155 CA GLU I 34 29.808 28.772 -3.839 1.00 11.90 C ATOM 2156 C GLU I 34 31.037 28.866 -2.955 1.00 11.73 C ATOM 2157 O GLU I 34 31.288 27.953 -2.162 1.00 12.44 O ATOM 2158 CB GLU I 34 30.185 28.218 -5.219 1.00 12.64 C ATOM 2159 CG GLU I 34 30.716 26.788 -5.110 1.00 15.86 C ATOM 2160 CD GLU I 34 31.041 26.165 -6.446 1.00 22.61 C ATOM 2161 OE1 GLU I 34 30.435 26.577 -7.480 1.00 20.42 O ATOM 2162 OE2 GLU I 34 31.891 25.230 -6.435 1.00 25.30 O ATOM 2163 N ALA I 35 31.821 29.933 -3.125 1.00 12.30 N ATOM 2164 CA ALA I 35 33.000 30.078 -2.270 1.00 11.87 C ATOM 2165 C ALA I 35 32.653 30.096 -0.777 1.00 12.23 C ATOM 2166 O ALA I 35 33.323 29.406 0.024 1.00 12.47 O ATOM 2167 CB ALA I 35 33.809 31.377 -2.643 1.00 12.11 C ATOM 2168 N LYS I 36 31.629 30.860 -0.391 1.00 12.17 N ATOM 2169 CA LYS I 36 31.236 30.893 1.019 1.00 11.87 C ATOM 2170 C LYS I 36 30.844 29.472 1.471 1.00 12.03 C ATOM 2171 O LYS I 36 31.218 29.058 2.580 1.00 11.59 O ATOM 2172 CB LYS I 36 30.032 31.807 1.271 1.00 12.17 C ATOM 2173 CG LYS I 36 30.360 33.323 1.102 1.00 17.70 C ATOM 2174 CD LYS I 36 29.085 34.136 1.379 1.00 23.40 C ATOM 2175 CE LYS I 36 29.320 35.624 1.254 1.00 29.58 C ATOM 2176 NZ LYS I 36 28.069 36.425 1.571 1.00 33.61 N ATOM 2177 N LYS I 37 30.043 28.774 0.665 1.00 11.40 N ATOM 2178 CA LYS I 37 29.591 27.430 1.052 1.00 11.63 C ATOM 2179 C LYS I 37 30.780 26.504 1.293 1.00 11.98 C ATOM 2180 O LYS I 37 30.815 25.786 2.308 1.00 12.18 O ATOM 2181 CB LYS I 37 28.675 26.847 -0.016 1.00 11.51 C ATOM 2182 CG LYS I 37 28.171 25.463 0.427 1.00 12.83 C ATOM 2183 CD LYS I 37 27.198 24.923 -0.616 1.00 18.95 C ATOM 2184 CE LYS I 37 26.782 23.511 -0.226 1.00 23.82 C ATOM 2185 NZ LYS I 37 25.517 23.108 -0.954 1.00 30.94 N ATOM 2186 N VAL I 38 31.718 26.508 0.355 1.00 11.80 N ATOM 2187 CA VAL I 38 32.881 25.628 0.423 1.00 12.30 C ATOM 2188 C VAL I 38 33.775 25.961 1.604 1.00 12.52 C ATOM 2189 O VAL I 38 34.157 25.068 2.393 1.00 13.65 O ATOM 2190 CB VAL I 38 33.662 25.664 -0.900 1.00 13.04 C ATOM 2191 CG1 VAL I 38 35.014 24.939 -0.727 1.00 15.62 C ATOM 2192 CG2 VAL I 38 32.821 24.930 -1.957 1.00 13.30 C ATOM 2193 N ILE I 39 34.069 27.242 1.781 1.00 12.01 N ATOM 2194 CA ILE I 39 34.931 27.612 2.889 1.00 12.39 C ATOM 2195 C ILE I 39 34.277 27.245 4.240 1.00 12.83 C ATOM 2196 O ILE I 39 34.949 26.736 5.129 1.00 13.31 O ATOM 2197 CB ILE I 39 35.258 29.121 2.790 1.00 13.08 C ATOM 2198 CG1 ILE I 39 36.298 29.333 1.663 1.00 14.88 C ATOM 2199 CG2 ILE I 39 35.815 29.631 4.163 1.00 15.23 C ATOM 2200 CD1 ILE I 39 36.252 30.761 1.039 1.00 15.64 C ATOM 2201 N LEU I 40 32.978 27.471 4.390 1.00 11.65 N ATOM 2202 CA LEU I 40 32.275 27.115 5.635 1.00 11.91 C ATOM 2203 C LEU I 40 32.186 25.617 5.883 1.00 12.54 C ATOM 2204 O LEU I 40 32.039 25.193 7.029 1.00 13.90 O ATOM 2205 CB LEU I 40 30.911 27.793 5.717 1.00 12.00 C ATOM 2206 CG LEU I 40 31.027 29.344 5.855 1.00 13.11 C ATOM 2207 CD1 LEU I 40 29.667 29.919 5.673 1.00 16.55 C ATOM 2208 CD2 LEU I 40 31.512 29.718 7.258 1.00 13.24 C ATOM 2209 N GLN I 41 32.307 24.803 4.834 1.00 12.70 N ATOM 2210 CA GLN I 41 32.388 23.360 5.055 1.00 12.69 C ATOM 2211 C GLN I 41 33.750 23.026 5.642 1.00 13.07 C ATOM 2212 O GLN I 41 33.873 22.146 6.536 1.00 13.71 O ATOM 2213 CB GLN I 41 32.228 22.606 3.751 1.00 12.02 C ATOM 2214 CG GLN I 41 30.804 22.662 3.297 1.00 13.08 C ATOM 2215 CD GLN I 41 30.533 21.851 2.026 1.00 16.13 C ATOM 2216 OE1 GLN I 41 29.355 21.569 1.717 1.00 16.98 O ATOM 2217 NE2 GLN I 41 31.581 21.534 1.257 1.00 17.20 N ATOM 2218 N ASP I 42 34.800 23.672 5.132 1.00 12.64 N ATOM 2219 CA ASP I 42 36.151 23.364 5.634 1.00 12.93 C ATOM 2220 C ASP I 42 36.482 24.042 6.955 1.00 13.38 C ATOM 2221 O ASP I 42 37.279 23.522 7.764 1.00 15.61 O ATOM 2222 CB ASP I 42 37.215 23.815 4.621 1.00 12.91 C ATOM 2223 CG ASP I 42 37.162 23.055 3.338 1.00 17.02 C ATOM 2224 OD1 ASP I 42 36.646 21.891 3.366 1.00 23.01 O ATOM 2225 OD2 ASP I 42 37.533 23.542 2.247 1.00 16.62 O ATOM 2226 N LYS I 43 35.876 25.202 7.180 1.00 12.76 N ATOM 2227 CA LYS I 43 36.195 26.071 8.314 1.00 13.95 C ATOM 2228 C LYS I 43 34.885 26.661 8.805 1.00 13.99 C ATOM 2229 O LYS I 43 34.569 27.813 8.529 1.00 13.94 O ATOM 2230 CB LYS I 43 37.149 27.190 7.814 1.00 14.23 C ATOM 2231 CG LYS I 43 37.819 27.993 8.921 1.00 15.92 C ATOM 2232 CD LYS I 43 38.743 29.068 8.296 1.00 18.63 C ATOM 2233 CE LYS I 43 39.129 30.122 9.322 1.00 20.34 C ATOM 2234 NZ LYS I 43 40.092 29.545 10.313 1.00 22.94 N ATOM 2235 N PRO I 44 34.042 25.885 9.482 1.00 13.14 N ATOM 2236 CA PRO I 44 32.708 26.383 9.839 1.00 13.79 C ATOM 2237 C PRO I 44 32.608 27.619 10.711 1.00 14.47 C ATOM 2238 O PRO I 44 31.557 28.264 10.650 1.00 15.81 O ATOM 2239 CB PRO I 44 32.035 25.183 10.550 1.00 15.11 C ATOM 2240 CG PRO I 44 32.881 24.054 10.257 1.00 14.74 C ATOM 2241 CD PRO I 44 34.237 24.453 9.807 1.00 13.34 C ATOM 2242 N ALA I 45 33.654 27.930 11.462 1.00 16.44 N ATOM 2243 CA ALA I 45 33.608 29.113 12.281 1.00 18.08 C ATOM 2244 C ALA I 45 34.269 30.301 11.566 1.00 18.24 C ATOM 2245 O ALA I 45 34.484 31.331 12.191 1.00 18.89 O ATOM 2246 CB ALA I 45 34.270 28.835 13.647 1.00 19.56 C ATOM 2247 N ALA I 46 34.557 30.174 10.264 1.00 16.82 N ATOM 2248 CA ALA I 46 35.217 31.278 9.541 1.00 15.98 C ATOM 2249 C ALA I 46 34.398 32.558 9.597 1.00 16.58 C ATOM 2250 O ALA I 46 33.153 32.535 9.486 1.00 16.30 O ATOM 2251 CB ALA I 46 35.489 30.888 8.078 1.00 15.39 C ATOM 2252 N GLN I 47 35.102 33.691 9.739 1.00 15.65 N ATOM 2253 CA GLN I 47 34.490 34.997 9.632 1.00 16.62 C ATOM 2254 C GLN I 47 34.760 35.482 8.225 1.00 15.98 C ATOM 2255 O GLN I 47 35.895 35.852 7.889 1.00 17.17 O ATOM 2256 CB GLN I 47 35.091 35.935 10.698 1.00 18.03 C ATOM 2257 CG AGLN I 47 34.970 35.386 12.143 0.67 20.33 C ATOM 2258 CG BGLN I 47 34.165 36.107 11.908 0.33 19.50 C ATOM 2259 CD AGLN I 47 33.537 35.074 12.550 0.67 27.90 C ATOM 2260 CD BGLN I 47 34.911 36.345 13.212 0.33 22.93 C ATOM 2261 OE1AGLN I 47 32.703 35.980 12.658 0.67 29.10 O ATOM 2262 OE1BGLN I 47 34.955 35.472 14.086 0.33 25.35 O ATOM 2263 NE2AGLN I 47 33.249 33.793 12.781 0.67 29.10 N ATOM 2264 NE2BGLN I 47 35.488 37.527 13.350 0.33 23.59 N ATOM 2265 N ILE I 48 33.742 35.411 7.371 1.00 14.82 N ATOM 2266 CA ILE I 48 33.953 35.689 5.955 1.00 15.32 C ATOM 2267 C ILE I 48 33.571 37.107 5.646 1.00 16.50 C ATOM 2268 O ILE I 48 32.483 37.540 6.023 1.00 18.40 O ATOM 2269 CB ILE I 48 33.122 34.713 5.074 1.00 15.47 C ATOM 2270 CG1 ILE I 48 33.694 33.309 5.239 1.00 16.39 C ATOM 2271 CG2 ILE I 48 33.168 35.173 3.608 1.00 16.52 C ATOM 2272 CD1 ILE I 48 32.914 32.201 4.505 1.00 18.79 C ATOM 2273 N ILE I 49 34.464 37.840 4.976 1.00 15.03 N ATOM 2274 CA ILE I 49 34.096 39.198 4.551 1.00 16.28 C ATOM 2275 C ILE I 49 34.327 39.334 3.060 1.00 14.87 C ATOM 2276 O ILE I 49 35.393 38.964 2.569 1.00 15.74 O ATOM 2277 CB ILE I 49 34.860 40.281 5.379 1.00 18.17 C ATOM 2278 CG1AILE I 49 34.314 41.669 5.026 0.67 20.10 C ATOM 2279 CG1BILE I 49 34.523 40.164 6.872 0.33 17.96 C ATOM 2280 CG2AILE I 49 36.297 40.172 5.199 0.67 16.49 C ATOM 2281 CG2BILE I 49 34.598 41.678 4.841 0.33 18.06 C ATOM 2282 CD1AILE I 49 34.688 42.760 6.020 0.67 26.47 C ATOM 2283 CD1BILE I 49 35.558 39.456 7.664 0.33 22.00 C ATOM 2284 N VAL I 50 33.345 39.859 2.361 1.00 15.17 N ATOM 2285 CA VAL I 50 33.413 40.021 0.920 1.00 14.64 C ATOM 2286 C VAL I 50 33.799 41.462 0.622 1.00 16.06 C ATOM 2287 O VAL I 50 33.190 42.408 1.139 1.00 16.89 O ATOM 2288 CB VAL I 50 32.046 39.695 0.284 1.00 14.69 C ATOM 2289 CG1 VAL I 50 32.061 39.874 -1.197 1.00 16.87 C ATOM 2290 CG2 VAL I 50 31.684 38.238 0.629 1.00 15.13 C ATOM 2291 N LEU I 51 34.819 41.596 -0.209 1.00 15.85 N ATOM 2292 CA LEU I 51 35.359 42.916 -0.550 1.00 15.82 C ATOM 2293 C LEU I 51 35.598 42.967 -2.044 1.00 15.96 C ATOM 2294 O LEU I 51 35.891 41.950 -2.684 1.00 14.00 O ATOM 2295 CB LEU I 51 36.707 43.147 0.165 1.00 16.93 C ATOM 2296 CG LEU I 51 36.724 43.053 1.705 1.00 18.77 C ATOM 2297 CD1 LEU I 51 38.165 43.050 2.257 1.00 19.66 C ATOM 2298 CD2 LEU I 51 35.903 44.190 2.337 1.00 21.48 C ATOM 2299 N PRO I 52 35.588 44.156 -2.628 1.00 16.87 N ATOM 2300 CA PRO I 52 35.904 44.270 -4.048 1.00 17.07 C ATOM 2301 C PRO I 52 37.376 43.995 -4.333 1.00 17.46 C ATOM 2302 O PRO I 52 38.261 44.496 -3.609 1.00 17.19 O ATOM 2303 CB PRO I 52 35.554 45.739 -4.400 1.00 18.11 C ATOM 2304 CG PRO I 52 34.933 46.293 -3.193 1.00 18.87 C ATOM 2305 CD PRO I 52 35.331 45.457 -1.993 1.00 18.25 C ATOM 2306 N VAL I 53 37.652 43.263 -5.398 1.00 16.80 N ATOM 2307 CA VAL I 53 39.034 43.065 -5.797 1.00 18.08 C ATOM 2308 C VAL I 53 39.596 44.459 -6.199 1.00 18.39 C ATOM 2309 O VAL I 53 38.846 45.333 -6.638 1.00 19.83 O ATOM 2310 CB VAL I 53 39.142 42.036 -6.930 1.00 19.37 C ATOM 2311 CG1 VAL I 53 38.610 42.589 -8.250 1.00 18.05 C ATOM 2312 CG2 VAL I 53 40.600 41.543 -7.097 1.00 20.07 C ATOM 2313 N GLY I 54 40.889 44.664 -5.976 1.00 19.69 N ATOM 2314 CA GLY I 54 41.502 45.933 -6.333 1.00 20.06 C ATOM 2315 C GLY I 54 41.271 47.034 -5.301 1.00 21.08 C ATOM 2316 O GLY I 54 41.329 48.238 -5.635 1.00 22.89 O ATOM 2317 N THR I 55 40.964 46.652 -4.067 1.00 18.81 N ATOM 2318 CA THR I 55 40.920 47.648 -2.988 1.00 18.69 C ATOM 2319 C THR I 55 42.173 47.408 -2.166 1.00 17.53 C ATOM 2320 O THR I 55 42.843 46.393 -2.287 1.00 18.17 O ATOM 2321 CB THR I 55 39.689 47.507 -2.082 1.00 19.07 C ATOM 2322 OG1 THR I 55 39.515 46.145 -1.704 1.00 20.17 O ATOM 2323 CG2 THR I 55 38.427 47.857 -2.836 1.00 21.27 C ATOM 2324 N ILE I 56 42.466 48.365 -1.315 1.00 16.07 N ATOM 2325 CA ILE I 56 43.559 48.236 -0.358 1.00 16.12 C ATOM 2326 C ILE I 56 42.919 47.845 0.981 1.00 15.71 C ATOM 2327 O ILE I 56 41.832 48.330 1.305 1.00 14.94 O ATOM 2328 CB ILE I 56 44.231 49.614 -0.267 1.00 16.32 C ATOM 2329 CG1 ILE I 56 44.926 49.903 -1.608 1.00 19.78 C ATOM 2330 CG2 ILE I 56 45.134 49.690 1.034 1.00 17.33 C ATOM 2331 CD1AILE I 56 46.063 50.895 -1.619 0.50 19.24 C ATOM 2332 CD1BILE I 56 46.301 49.350 -1.756 0.50 13.80 C ATOM 2333 N VAL I 57 43.588 46.973 1.738 1.00 14.31 N ATOM 2334 CA VAL I 57 43.011 46.505 2.997 1.00 14.68 C ATOM 2335 C VAL I 57 44.007 46.555 4.128 1.00 13.41 C ATOM 2336 O VAL I 57 45.233 46.587 3.908 1.00 13.43 O ATOM 2337 CB VAL I 57 42.471 45.045 2.883 1.00 15.63 C ATOM 2338 CG1 VAL I 57 41.340 44.996 1.769 1.00 15.14 C ATOM 2339 CG2 VAL I 57 43.591 44.036 2.574 1.00 14.67 C ATOM 2340 N THR I 58 43.479 46.494 5.338 1.00 13.65 N ATOM 2341 CA THR I 58 44.329 46.426 6.539 1.00 13.90 C ATOM 2342 C THR I 58 45.177 45.165 6.532 1.00 14.87 C ATOM 2343 O THR I 58 44.785 44.103 5.969 1.00 14.42 O ATOM 2344 CB THR I 58 43.426 46.415 7.830 1.00 15.29 C ATOM 2345 OG1 THR I 58 42.459 45.342 7.700 1.00 18.63 O ATOM 2346 CG2 THR I 58 42.598 47.692 7.965 1.00 14.48 C ATOM 2347 N MET I 59 46.368 45.257 7.123 1.00 12.14 N ATOM 2348 CA MET I 59 47.326 44.149 7.137 1.00 12.90 C ATOM 2349 C MET I 59 47.543 43.473 8.509 1.00 11.81 C ATOM 2350 O MET I 59 48.649 43.002 8.838 1.00 12.11 O ATOM 2351 CB MET I 59 48.678 44.625 6.552 1.00 13.82 C ATOM 2352 CG MET I 59 48.587 44.889 5.053 1.00 15.60 C ATOM 2353 SD MET I 59 48.421 43.279 4.198 1.00 18.79 S ATOM 2354 CE MET I 59 47.386 43.773 2.752 1.00 20.90 C ATOM 2355 N ALA I 60 46.471 43.321 9.292 1.00 12.69 N ATOM 2356 CA ALA I 60 46.538 42.428 10.436 1.00 13.18 C ATOM 2357 C ALA I 60 46.288 41.000 9.926 1.00 13.56 C ATOM 2358 O ALA I 60 45.681 40.816 8.843 1.00 13.58 O ATOM 2359 CB ALA I 60 45.518 42.796 11.486 1.00 12.72 C ATOM 2360 N TYR I 61 46.769 40.023 10.684 1.00 13.33 N ATOM 2361 CA TYR I 61 46.595 38.615 10.328 1.00 15.27 C ATOM 2362 C TYR I 61 45.664 37.973 11.338 1.00 16.21 C ATOM 2363 O TYR I 61 45.972 37.899 12.547 1.00 17.06 O ATOM 2364 CB TYR I 61 47.944 37.913 10.294 1.00 14.31 C ATOM 2365 CG TYR I 61 47.875 36.491 9.778 1.00 17.33 C ATOM 2366 CD1 TYR I 61 47.720 36.252 8.409 1.00 17.69 C ATOM 2367 CD2 TYR I 61 48.004 35.421 10.639 1.00 17.33 C ATOM 2368 CE1 TYR I 61 47.654 34.943 7.895 1.00 18.48 C ATOM 2369 CE2 TYR I 61 47.954 34.080 10.126 1.00 20.10 C ATOM 2370 CZ TYR I 61 47.764 33.887 8.757 1.00 22.17 C ATOM 2371 OH TYR I 61 47.711 32.609 8.216 1.00 24.41 O ATOM 2372 N ARG I 62 44.496 37.551 10.857 1.00 16.19 N ATOM 2373 CA ARG I 62 43.464 37.007 11.721 1.00 18.11 C ATOM 2374 C ARG I 62 43.191 35.588 11.228 1.00 18.52 C ATOM 2375 O ARG I 62 42.642 35.410 10.123 1.00 18.32 O ATOM 2376 CB ARG I 62 42.174 37.832 11.595 1.00 19.21 C ATOM 2377 CG AARG I 62 42.281 39.265 12.121 0.50 20.61 C ATOM 2378 CG BARG I 62 41.908 38.908 12.670 0.50 22.39 C ATOM 2379 CD AARG I 62 40.918 39.875 12.501 0.50 23.54 C ATOM 2380 CD BARG I 62 40.720 39.827 12.277 0.50 25.48 C ATOM 2381 NE AARG I 62 39.924 38.873 12.916 0.50 26.13 N ATOM 2382 NE BARG I 62 40.337 40.779 13.315 0.50 28.89 N ATOM 2383 CZ AARG I 62 38.605 39.028 12.803 0.50 27.89 C ATOM 2384 CZ BARG I 62 39.643 41.897 13.109 0.50 29.80 C ATOM 2385 NH1AARG I 62 38.094 40.146 12.290 0.50 29.83 N ATOM 2386 NH1BARG I 62 39.227 42.222 11.885 0.50 27.75 N ATOM 2387 NH2AARG I 62 37.791 38.070 13.220 0.50 29.17 N ATOM 2388 NH2BARG I 62 39.365 42.698 14.143 0.50 29.65 N ATOM 2389 N ILE I 63 43.562 34.587 12.018 1.00 18.57 N ATOM 2390 CA ILE I 63 43.458 33.192 11.565 1.00 20.31 C ATOM 2391 C ILE I 63 41.983 32.751 11.410 1.00 19.66 C ATOM 2392 O ILE I 63 41.700 31.775 10.731 1.00 22.33 O ATOM 2393 CB ILE I 63 44.258 32.252 12.532 1.00 22.08 C ATOM 2394 CG1AILE I 63 43.949 32.542 13.993 0.67 23.76 C ATOM 2395 CG1BILE I 63 44.607 30.909 11.886 0.33 20.92 C ATOM 2396 CG2AILE I 63 45.751 32.347 12.164 0.67 22.51 C ATOM 2397 CG2BILE I 63 43.484 32.058 13.832 0.33 21.55 C ATOM 2398 CD1AILE I 63 44.173 31.322 14.885 0.67 28.23 C ATOM 2399 CD1BILE I 63 45.469 30.020 12.782 0.33 21.72 C ATOM 2400 N ASP I 64 41.074 33.479 12.023 1.00 19.79 N ATOM 2401 CA ASP I 64 39.651 33.149 11.960 1.00 21.10 C ATOM 2402 C ASP I 64 38.944 33.740 10.718 1.00 20.23 C ATOM 2403 O ASP I 64 37.783 33.420 10.440 1.00 19.98 O ATOM 2404 CB ASP I 64 38.939 33.610 13.231 1.00 22.58 C ATOM 2405 CG AASP I 64 39.033 35.104 13.439 0.67 25.73 C ATOM 2406 CG BASP I 64 39.416 32.883 14.490 0.33 23.64 C ATOM 2407 OD1AASP I 64 40.152 35.690 13.452 0.67 27.40 O ATOM 2408 OD1BASP I 64 39.485 31.637 14.474 0.33 24.97 O ATOM 2409 OD2AASP I 64 38.020 35.785 13.596 0.67 32.15 O ATOM 2410 OD2BASP I 64 39.727 33.480 15.551 0.33 25.51 O ATOM 2411 N ARG I 65 39.623 34.639 10.001 1.00 17.80 N ATOM 2412 CA ARG I 65 39.004 35.394 8.915 1.00 16.33 C ATOM 2413 C ARG I 65 39.387 34.807 7.562 1.00 15.14 C ATOM 2414 O ARG I 65 40.519 34.358 7.346 1.00 15.33 O ATOM 2415 CB ARG I 65 39.507 36.841 8.959 1.00 15.76 C ATOM 2416 CG ARG I 65 38.888 37.776 7.871 1.00 15.98 C ATOM 2417 CD ARG I 65 39.273 39.224 8.116 1.00 16.09 C ATOM 2418 NE ARG I 65 40.745 39.376 8.098 1.00 13.97 N ATOM 2419 CZ ARG I 65 41.371 40.484 8.571 1.00 14.10 C ATOM 2420 NH1 ARG I 65 40.644 41.521 8.970 1.00 17.01 N ATOM 2421 NH2 ARG I 65 42.700 40.564 8.533 1.00 16.54 N ATOM 2422 N VAL I 66 38.421 34.853 6.633 1.00 14.20 N ATOM 2423 CA VAL I 66 38.689 34.619 5.237 1.00 14.07 C ATOM 2424 C VAL I 66 38.058 35.737 4.420 1.00 13.94 C ATOM 2425 O VAL I 66 36.841 35.868 4.371 1.00 15.09 O ATOM 2426 CB VAL I 66 38.157 33.228 4.744 1.00 13.46 C ATOM 2427 CG1 VAL I 66 38.522 33.058 3.306 1.00 14.19 C ATOM 2428 CG2 VAL I 66 38.739 32.062 5.578 1.00 14.24 C ATOM 2429 N ARG I 67 38.891 36.592 3.815 1.00 13.13 N ATOM 2430 CA ARG I 67 38.364 37.601 2.920 1.00 12.82 C ATOM 2431 C ARG I 67 38.131 36.984 1.549 1.00 13.33 C ATOM 2432 O ARG I 67 38.954 36.195 1.075 1.00 14.89 O ATOM 2433 CB ARG I 67 39.377 38.730 2.775 1.00 14.30 C ATOM 2434 CG ARG I 67 39.642 39.489 4.055 1.00 13.69 C ATOM 2435 CD ARG I 67 40.684 40.556 3.782 1.00 18.74 C ATOM 2436 NE ARG I 67 40.638 41.615 4.777 1.00 18.50 N ATOM 2437 CZ ARG I 67 41.745 42.167 5.291 1.00 20.64 C ATOM 2438 NH1 ARG I 67 42.944 41.735 4.947 1.00 23.13 N ATOM 2439 NH2 ARG I 67 41.625 43.166 6.130 1.00 18.80 N ATOM 2440 N LEU I 68 37.015 37.355 0.926 1.00 13.01 N ATOM 2441 CA LEU I 68 36.751 36.927 -0.442 1.00 12.76 C ATOM 2442 C LEU I 68 36.737 38.191 -1.306 1.00 12.29 C ATOM 2443 O LEU I 68 35.900 39.085 -1.078 1.00 14.14 O ATOM 2444 CB LEU I 68 35.368 36.250 -0.511 1.00 12.35 C ATOM 2445 CG LEU I 68 35.306 34.937 0.245 1.00 14.21 C ATOM 2446 CD1 LEU I 68 33.890 34.361 0.123 1.00 14.46 C ATOM 2447 CD2 LEU I 68 36.375 33.982 -0.325 1.00 14.19 C ATOM 2448 N PHE I 69 37.662 38.259 -2.256 1.00 12.16 N ATOM 2449 CA PHE I 69 37.782 39.397 -3.162 1.00 13.00 C ATOM 2450 C PHE I 69 37.053 39.060 -4.439 1.00 12.61 C ATOM 2451 O PHE I 69 37.414 38.117 -5.139 1.00 14.18 O ATOM 2452 CB PHE I 69 39.269 39.682 -3.413 1.00 13.10 C ATOM 2453 CG PHE I 69 39.948 40.327 -2.232 1.00 13.46 C ATOM 2454 CD1 PHE I 69 39.785 41.677 -1.963 1.00 15.47 C ATOM 2455 CD2 PHE I 69 40.687 39.565 -1.369 1.00 13.15 C ATOM 2456 CE1 PHE I 69 40.418 42.286 -0.835 1.00 16.47 C ATOM 2457 CE2 PHE I 69 41.321 40.154 -0.232 1.00 14.32 C ATOM 2458 CZ PHE I 69 41.180 41.499 0.010 1.00 13.52 C ATOM 2459 N VAL I 70 36.028 39.858 -4.706 1.00 12.70 N ATOM 2460 CA VAL I 70 35.207 39.623 -5.878 1.00 13.89 C ATOM 2461 C VAL I 70 35.348 40.660 -6.966 1.00 15.78 C ATOM 2462 O VAL I 70 35.607 41.835 -6.709 1.00 16.15 O ATOM 2463 CB VAL I 70 33.710 39.551 -5.516 1.00 15.31 C ATOM 2464 CG1 VAL I 70 33.422 38.265 -4.668 1.00 13.96 C ATOM 2465 CG2 VAL I 70 33.264 40.765 -4.747 1.00 15.70 C ATOM 2466 N ASP I 71 35.178 40.196 -8.189 1.00 15.62 N ATOM 2467 CA ASP I 71 35.116 41.113 -9.326 1.00 16.36 C ATOM 2468 C ASP I 71 33.714 41.743 -9.411 1.00 16.43 C ATOM 2469 O ASP I 71 32.872 41.530 -8.538 1.00 16.37 O ATOM 2470 CB ASP I 71 35.586 40.453 -10.615 1.00 16.52 C ATOM 2471 CG ASP I 71 34.679 39.304 -11.086 1.00 17.71 C ATOM 2472 OD1 ASP I 71 33.492 39.255 -10.705 1.00 15.72 O ATOM 2473 OD2 ASP I 71 35.130 38.419 -11.842 1.00 21.54 O ATOM 2474 N ARG I 72 33.484 42.605 -10.419 1.00 17.41 N ATOM 2475 CA ARG I 72 32.230 43.337 -10.495 1.00 18.73 C ATOM 2476 C ARG I 72 31.031 42.434 -10.806 1.00 18.30 C ATOM 2477 O ARG I 72 29.897 42.904 -10.707 1.00 19.25 O ATOM 2478 CB ARG I 72 32.294 44.433 -11.581 1.00 20.06 C ATOM 2479 CG ARG I 72 32.392 43.840 -12.959 1.00 26.47 C ATOM 2480 CD ARG I 72 32.542 44.810 -14.147 1.00 34.05 C ATOM 2481 NE ARG I 72 32.714 43.992 -15.349 1.00 40.65 N ATOM 2482 CZ ARG I 72 31.718 43.632 -16.159 1.00 41.81 C ATOM 2483 NH1 ARG I 72 30.475 44.061 -15.926 1.00 41.29 N ATOM 2484 NH2 ARG I 72 31.972 42.861 -17.212 1.00 42.52 N ATOM 2485 N LEU I 73 31.307 41.181 -11.193 1.00 16.90 N ATOM 2486 CA LEU I 73 30.245 40.169 -11.467 1.00 16.28 C ATOM 2487 C LEU I 73 29.924 39.325 -10.228 1.00 15.03 C ATOM 2488 O LEU I 73 28.977 38.524 -10.268 1.00 15.16 O ATOM 2489 CB LEU I 73 30.644 39.241 -12.626 1.00 17.17 C ATOM 2490 CG LEU I 73 30.969 39.898 -13.988 1.00 17.25 C ATOM 2491 CD1 LEU I 73 31.315 38.892 -15.060 1.00 18.52 C ATOM 2492 CD2 LEU I 73 29.784 40.841 -14.409 1.00 19.84 C ATOM 2493 N ASP I 74 30.648 39.555 -9.121 1.00 14.86 N ATOM 2494 CA ASP I 74 30.523 38.777 -7.866 1.00 14.63 C ATOM 2495 C ASP I 74 31.097 37.358 -7.999 1.00 12.76 C ATOM 2496 O ASP I 74 30.638 36.432 -7.296 1.00 12.26 O ATOM 2497 CB ASP I 74 29.077 38.723 -7.320 1.00 14.84 C ATOM 2498 CG ASP I 74 28.916 39.376 -5.974 1.00 16.86 C ATOM 2499 OD1 ASP I 74 29.878 40.052 -5.492 1.00 21.09 O ATOM 2500 OD2 ASP I 74 27.854 39.326 -5.321 1.00 16.87 O ATOM 2501 N ASN I 75 32.097 37.183 -8.857 1.00 13.03 N ATOM 2502 CA ASN I 75 32.893 35.972 -8.850 1.00 13.31 C ATOM 2503 C ASN I 75 34.218 36.202 -8.129 1.00 13.01 C ATOM 2504 O ASN I 75 34.726 37.347 -8.067 1.00 12.46 O ATOM 2505 CB ASN I 75 33.144 35.501 -10.281 1.00 12.88 C ATOM 2506 CG ASN I 75 31.839 35.231 -11.040 1.00 12.99 C ATOM 2507 OD1 ASN I 75 30.890 34.713 -10.458 1.00 13.27 O ATOM 2508 ND2 ASN I 75 31.780 35.643 -12.323 1.00 13.67 N ATOM 2509 N ILE I 76 34.786 35.118 -7.607 1.00 12.61 N ATOM 2510 CA ILE I 76 36.057 35.225 -6.880 1.00 12.36 C ATOM 2511 C ILE I 76 37.192 35.563 -7.840 1.00 12.82 C ATOM 2512 O ILE I 76 37.377 34.892 -8.856 1.00 14.15 O ATOM 2513 CB ILE I 76 36.335 33.874 -6.189 1.00 12.34 C ATOM 2514 CG1 ILE I 76 35.193 33.545 -5.208 1.00 10.75 C ATOM 2515 CG2 ILE I 76 37.715 33.905 -5.486 1.00 12.07 C ATOM 2516 CD1 ILE I 76 35.001 34.577 -4.052 1.00 14.94 C ATOM 2517 N ALA I 77 37.953 36.600 -7.492 1.00 13.52 N ATOM 2518 CA ALA I 77 38.985 37.142 -8.394 1.00 15.08 C ATOM 2519 C ALA I 77 40.401 36.950 -7.861 1.00 17.64 C ATOM 2520 O ALA I 77 41.366 37.264 -8.577 1.00 21.06 O ATOM 2521 CB ALA I 77 38.742 38.627 -8.652 1.00 16.27 C ATOM 2522 N GLN I 78 40.524 36.423 -6.642 1.00 16.21 N ATOM 2523 CA GLN I 78 41.826 36.245 -5.965 1.00 18.02 C ATOM 2524 C GLN I 78 41.722 34.938 -5.140 1.00 17.00 C ATOM 2525 O GLN I 78 40.626 34.632 -4.635 1.00 16.03 O ATOM 2526 CB GLN I 78 42.015 37.452 -5.048 1.00 18.86 C ATOM 2527 CG GLN I 78 43.355 37.598 -4.337 1.00 24.60 C ATOM 2528 CD GLN I 78 43.482 39.005 -3.758 1.00 28.57 C ATOM 2529 OE1 GLN I 78 43.202 39.992 -4.463 1.00 28.35 O ATOM 2530 NE2 GLN I 78 43.853 39.108 -2.475 1.00 26.19 N ATOM 2531 N VAL I 79 42.828 34.201 -4.973 1.00 16.11 N ATOM 2532 CA VAL I 79 42.802 32.967 -4.185 1.00 15.56 C ATOM 2533 C VAL I 79 42.377 33.291 -2.753 1.00 14.72 C ATOM 2534 O VAL I 79 43.087 34.059 -2.058 1.00 15.89 O ATOM 2535 CB VAL I 79 44.209 32.298 -4.125 1.00 15.02 C ATOM 2536 CG1 VAL I 79 44.201 31.076 -3.231 1.00 16.02 C ATOM 2537 CG2 VAL I 79 44.609 31.874 -5.510 1.00 15.76 C ATOM 2538 N PRO I 80 41.252 32.758 -2.276 1.00 13.63 N ATOM 2539 CA PRO I 80 40.910 32.953 -0.861 1.00 13.95 C ATOM 2540 C PRO I 80 41.915 32.263 0.041 1.00 13.84 C ATOM 2541 O PRO I 80 42.350 31.129 -0.200 1.00 13.04 O ATOM 2542 CB PRO I 80 39.529 32.277 -0.728 1.00 13.62 C ATOM 2543 CG PRO I 80 38.983 32.283 -2.177 1.00 13.51 C ATOM 2544 CD PRO I 80 40.192 32.016 -3.008 1.00 12.59 C ATOM 2545 N ARG I 81 42.246 32.956 1.121 1.00 14.90 N ATOM 2546 CA ARG I 81 43.120 32.363 2.142 1.00 15.01 C ATOM 2547 C ARG I 81 42.742 32.845 3.509 1.00 15.86 C ATOM 2548 O ARG I 81 42.102 33.893 3.662 1.00 15.86 O ATOM 2549 CB ARG I 81 44.583 32.693 1.857 1.00 17.44 C ATOM 2550 CG ARG I 81 44.936 34.149 2.074 1.00 20.52 C ATOM 2551 CD ARG I 81 46.464 34.416 2.278 1.00 24.78 C ATOM 2552 NE ARG I 81 46.721 35.866 2.248 1.00 28.66 N ATOM 2553 CZ ARG I 81 46.546 36.718 3.271 1.00 30.77 C ATOM 2554 NH1 ARG I 81 46.127 36.298 4.474 1.00 31.00 N ATOM 2555 NH2 ARG I 81 46.803 38.011 3.096 1.00 28.07 N ATOM 2556 N VAL I 82 43.088 32.064 4.539 1.00 14.99 N ATOM 2557 CA VAL I 82 42.874 32.557 5.902 1.00 14.49 C ATOM 2558 C VAL I 82 43.792 33.758 6.157 1.00 14.91 C ATOM 2559 O VAL I 82 44.911 33.822 5.620 1.00 15.56 O ATOM 2560 CB VAL I 82 43.152 31.430 6.927 1.00 15.32 C ATOM 2561 CG1AVAL I 82 43.541 31.953 8.280 0.50 15.84 C ATOM 2562 CG1BVAL I 82 42.360 30.172 6.541 0.50 12.84 C ATOM 2563 CG2AVAL I 82 41.978 30.439 7.001 0.50 13.80 C ATOM 2564 CG2BVAL I 82 44.605 31.114 7.052 0.50 15.08 C ATOM 2565 N GLY I 83 43.317 34.676 6.976 1.00 14.07 N ATOM 2566 CA GLY I 83 44.181 35.776 7.414 1.00 15.76 C ATOM 2567 C GLY I 83 43.431 37.075 7.512 1.00 16.19 C ATOM 2568 O GLY I 83 43.978 38.037 8.107 1.00 15.14 O ATOM 2569 OXT GLY I 83 42.291 37.235 7.007 1.00 15.97 O TER 2570 GLY I 83 HETATM 2571 CA CA E1001 50.477 54.717 28.672 1.00 15.92 CA HETATM 2572 NA NA E1002 59.775 49.225 -0.676 1.00 15.03 NA HETATM 2573 C1 CIT E2001 73.981 68.098 9.128 1.00 16.54 C HETATM 2574 O1 CIT E2001 75.113 67.632 8.992 1.00 16.31 O HETATM 2575 O2 CIT E2001 73.403 68.656 8.156 1.00 18.36 O HETATM 2576 C2 CIT E2001 73.290 68.023 10.470 1.00 13.70 C HETATM 2577 C3 CIT E2001 74.025 67.288 11.637 1.00 19.75 C HETATM 2578 O7 CIT E2001 75.479 67.613 12.111 1.00 14.41 O HETATM 2579 C4 CIT E2001 72.848 67.088 12.660 1.00 13.66 C HETATM 2580 C5 CIT E2001 72.914 65.876 13.568 1.00 16.97 C HETATM 2581 O3 CIT E2001 73.993 65.286 13.742 1.00 17.73 O HETATM 2582 O4 CIT E2001 71.875 65.480 14.126 1.00 12.53 O HETATM 2583 C6 CIT E2001 74.379 66.055 11.110 1.00 25.33 C HETATM 2584 O5 CIT E2001 75.630 65.761 11.239 1.00 13.83 O HETATM 2585 O6 CIT E2001 73.370 65.506 10.608 1.00 14.95 O HETATM 2586 C1 ACIT E2002 74.216 62.646 6.941 0.50 27.95 C HETATM 2587 C1 BCIT E2002 73.994 60.712 8.015 0.50 32.53 C HETATM 2588 O1 ACIT E2002 74.885 61.971 6.128 0.50 26.59 O HETATM 2589 O1 BCIT E2002 72.918 60.228 7.609 0.50 34.42 O HETATM 2590 O2 ACIT E2002 73.632 63.684 6.531 0.50 22.19 O HETATM 2591 O2 BCIT E2002 74.996 59.979 8.125 0.50 33.47 O HETATM 2592 C2 CIT E2002 74.080 62.168 8.385 1.00 30.86 C HETATM 2593 C3 CIT E2002 75.264 62.401 9.325 1.00 31.65 C HETATM 2594 O7 CIT E2002 75.195 61.617 10.580 1.00 30.41 O HETATM 2595 C4 CIT E2002 76.603 62.695 8.619 1.00 27.08 C HETATM 2596 C5 CIT E2002 77.604 63.447 9.490 1.00 31.45 C HETATM 2597 O3 CIT E2002 77.793 63.161 10.701 1.00 28.78 O HETATM 2598 O4 CIT E2002 78.275 64.387 8.982 1.00 32.72 O HETATM 2599 C6 CIT E2002 74.955 63.630 9.953 1.00 30.95 C HETATM 2600 O5 CIT E2002 74.726 63.500 11.200 1.00 20.98 O HETATM 2601 O6 CIT E2002 75.000 64.643 9.192 1.00 21.24 O HETATM 2602 C1 CIT E2003 32.746 50.332 29.431 1.00 38.62 C HETATM 2603 O1 CIT E2003 32.813 50.751 30.606 1.00 34.48 O HETATM 2604 O2 CIT E2003 33.255 49.222 29.101 1.00 37.41 O HETATM 2605 C2 CIT E2003 32.070 51.195 28.400 1.00 38.61 C HETATM 2606 C3 CIT E2003 33.174 51.988 27.711 1.00 41.13 C HETATM 2607 O7 CIT E2003 34.043 51.043 27.006 1.00 39.97 O HETATM 2608 C4 CIT E2003 32.479 52.880 26.683 1.00 40.29 C HETATM 2609 C5 CIT E2003 33.407 53.932 26.147 1.00 41.84 C HETATM 2610 O3 CIT E2003 34.658 53.840 26.335 1.00 41.27 O HETATM 2611 O4 CIT E2003 32.912 54.900 25.507 1.00 40.68 O HETATM 2612 C6 CIT E2003 34.006 52.816 28.719 1.00 42.15 C HETATM 2613 O5 CIT E2003 35.082 52.351 29.226 1.00 42.51 O HETATM 2614 O6 CIT E2003 33.639 53.987 29.033 1.00 41.19 O HETATM 2615 OXT 15P E5001 56.887 65.588 27.658 1.00 49.19 O HETATM 2616 C1 15P E5001 58.025 65.584 26.798 1.00 45.72 C HETATM 2617 C2 15P E5001 59.281 65.397 27.641 1.00 43.94 C HETATM 2618 O1 15P E5001 59.121 64.313 28.572 1.00 40.17 O HETATM 2619 C3 15P E5001 60.194 64.186 29.524 1.00 32.99 C HETATM 2620 C4 15P E5001 61.194 63.217 28.915 1.00 26.05 C HETATM 2621 O2 15P E5001 60.562 61.920 28.799 1.00 21.30 O HETATM 2622 C5 15P E5001 61.586 60.979 28.458 1.00 17.42 C HETATM 2623 C6 15P E5001 60.983 59.572 28.534 1.00 15.61 C HETATM 2624 O3 15P E5001 60.710 59.286 29.903 1.00 15.89 O HETATM 2625 C7 15P E5001 60.586 57.877 30.043 1.00 14.88 C HETATM 2626 O1 15P E5002 61.606 69.205 4.239 1.00 41.76 O HETATM 2627 C3 15P E5002 62.110 68.423 5.332 1.00 38.55 C HETATM 2628 C4 15P E5002 60.962 67.866 6.184 1.00 33.37 C HETATM 2629 O2 15P E5002 59.956 67.388 5.303 1.00 29.64 O HETATM 2630 C5 15P E5002 58.741 67.118 5.987 1.00 28.16 C HETATM 2631 C6 15P E5002 57.712 66.647 4.983 1.00 29.76 C HETATM 2632 O3 15P E5002 57.131 67.781 4.362 1.00 27.41 O HETATM 2633 C7 15P E5002 56.112 67.465 3.427 1.00 31.64 C HETATM 2634 C8 15P E5002 55.772 68.711 2.645 1.00 31.85 C HETATM 2635 O4 15P E5002 56.941 69.176 1.977 1.00 33.80 O HETATM 2636 C9 15P E5002 56.681 70.356 1.215 1.00 38.98 C HETATM 2637 C10 15P E5002 57.741 70.448 0.135 1.00 42.70 C HETATM 2638 O5 15P E5002 58.992 70.407 0.818 1.00 45.64 O HETATM 2639 C11 15P E5002 60.113 70.325 -0.058 1.00 47.72 C HETATM 2640 C12 15P E5002 61.341 70.570 0.811 1.00 49.60 C HETATM 2641 O6 15P E5002 61.424 69.530 1.793 1.00 50.07 O HETATM 2642 OXT 15P E5003 37.007 65.683 19.113 1.00 57.75 O HETATM 2643 C1 15P E5003 38.150 65.893 19.928 1.00 58.13 C HETATM 2644 C2 15P E5003 39.315 65.087 19.365 1.00 56.93 C HETATM 2645 O1 15P E5003 39.590 65.509 18.028 1.00 55.40 O HETATM 2646 C3 15P E5003 40.887 65.118 17.596 1.00 54.49 C HETATM 2647 C4 15P E5003 41.915 66.238 17.736 1.00 54.69 C HETATM 2648 O2 15P E5003 41.374 67.464 17.288 1.00 56.21 O HETATM 2649 C5 15P E5003 42.382 68.446 17.059 1.00 57.06 C HETATM 2650 C6 15P E5003 42.042 69.260 15.805 1.00 58.71 C HETATM 2651 O3 15P E5003 41.488 68.415 14.789 1.00 58.67 O HETATM 2652 C7 15P E5003 41.277 69.086 13.545 1.00 58.73 C HETATM 2653 C8 15P E5003 39.864 68.812 13.028 1.00 58.94 C HETATM 2654 O4 15P E5003 39.938 68.022 11.838 1.00 59.98 O HETATM 2655 C9 15P E5003 38.650 67.613 11.355 1.00 61.42 C HETATM 2656 O2 15P E5004 73.802 49.337 25.135 1.00 56.20 O HETATM 2657 C5 15P E5004 72.805 48.656 25.899 1.00 56.95 C HETATM 2658 C6 15P E5004 72.471 49.451 27.166 1.00 56.37 C HETATM 2659 O3 15P E5004 72.219 50.831 26.884 1.00 54.20 O HETATM 2660 C7 15P E5004 70.894 51.237 27.254 1.00 52.83 C HETATM 2661 C8 15P E5004 70.756 52.744 27.536 1.00 50.75 C HETATM 2662 O4 15P E5004 71.754 53.517 26.851 1.00 50.76 O HETATM 2663 C9 15P E5004 71.250 54.706 26.210 1.00 49.11 C HETATM 2664 C10 15P E5004 71.519 54.668 24.703 1.00 46.09 C HETATM 2665 O5 15P E5004 72.821 55.180 24.407 1.00 50.19 O HETATM 2666 C11 15P E5004 73.314 54.830 23.106 1.00 49.63 C HETATM 2667 O HOH E5005 52.788 42.789 23.160 1.00 10.08 O HETATM 2668 O HOH E5006 49.998 47.760 15.970 1.00 9.67 O HETATM 2669 O HOH E5007 52.370 48.226 20.820 1.00 9.43 O HETATM 2670 O HOH E5008 54.786 44.094 21.655 1.00 10.26 O HETATM 2671 O HOH E5009 49.696 63.692 19.411 1.00 14.04 O HETATM 2672 O HOH E5010 61.270 63.955 22.241 1.00 11.27 O HETATM 2673 O HOH E5011 48.450 52.635 9.011 1.00 11.53 O HETATM 2674 O HOH E5012 66.631 45.857 18.298 1.00 11.03 O HETATM 2675 O HOH E5013 67.752 49.788 12.984 1.00 11.10 O HETATM 2676 O HOH E5014 60.799 63.232 7.613 1.00 13.27 O HETATM 2677 O HOH E5015 52.360 50.486 22.353 1.00 10.02 O HETATM 2678 O HOH E5016 49.342 59.726 21.469 1.00 11.52 O HETATM 2679 O HOH E5017 53.327 60.857 26.203 1.00 11.58 O HETATM 2680 O HOH E5018 66.542 49.730 25.187 1.00 16.83 O HETATM 2681 O HOH E5019 58.813 45.159 27.687 1.00 14.45 O HETATM 2682 O HOH E5020 71.399 46.128 15.776 1.00 12.17 O HETATM 2683 O HOH E5021 54.777 46.716 20.878 1.00 9.40 O HETATM 2684 O HOH E5022 51.502 61.543 21.625 1.00 12.34 O HETATM 2685 O HOH E5023 68.629 43.886 18.364 1.00 15.55 O HETATM 2686 O HOH E5024 60.974 53.501 28.227 1.00 14.64 O HETATM 2687 O HOH E5025 54.601 66.319 19.434 1.00 15.05 O HETATM 2688 O HOH E5026 42.832 52.888 29.935 1.00 13.46 O HETATM 2689 O HOH E5027 43.889 56.334 10.777 1.00 12.62 O HETATM 2690 O HOH E5028 56.276 46.707 31.441 1.00 13.18 O HETATM 2691 O HOH E5029 70.905 51.675 3.653 1.00 13.99 O HETATM 2692 O HOH E5030 60.216 55.877 2.848 1.00 13.57 O HETATM 2693 O HOH E5031 67.645 63.782 1.202 1.00 14.00 O HETATM 2694 O HOH E5032 69.784 67.234 14.191 1.00 15.67 O HETATM 2695 O HOH E5033 52.025 47.537 1.689 1.00 12.94 O HETATM 2696 O HOH E5034 53.967 42.437 25.641 1.00 17.38 O HETATM 2697 O HOH E5035 62.173 57.478 4.224 1.00 13.88 O HETATM 2698 O HOH E5036 61.165 48.091 0.959 1.00 15.13 O HETATM 2699 O HOH E5037 42.857 50.963 31.782 1.00 18.43 O HETATM 2700 O HOH E5038 64.639 60.247 0.495 1.00 20.04 O HETATM 2701 O HOH E5039 62.684 56.369 0.434 1.00 17.49 O HETATM 2702 O HOH E5040 71.090 56.408 20.352 1.00 15.89 O HETATM 2703 O HOH E5041 36.548 44.048 26.845 1.00 16.25 O HETATM 2704 O HOH E5042 74.542 55.484 7.942 1.00 17.64 O HETATM 2705 O HOH E5043 40.253 43.768 24.213 1.00 15.50 O HETATM 2706 O HOH E5044 70.451 41.797 4.671 1.00 18.06 O HETATM 2707 O HOH E5045 36.661 52.995 10.565 1.00 21.10 O HETATM 2708 O HOH E5046 66.224 54.075 32.449 1.00 18.97 O HETATM 2709 O HOH E5047 56.096 61.054 26.176 1.00 19.58 O HETATM 2710 O HOH E5048 56.153 48.904 33.119 1.00 15.09 O HETATM 2711 O HOH E5049 75.119 52.493 15.363 1.00 17.65 O HETATM 2712 O HOH E5050 68.618 39.666 7.993 1.00 17.28 O HETATM 2713 O HOH E5051 51.371 44.860 1.365 1.00 19.04 O HETATM 2714 O HOH E5052 49.457 67.200 -1.538 1.00 20.25 O HETATM 2715 O HOH E5053 68.265 55.975 2.292 1.00 18.20 O HETATM 2716 O HOH E5054 71.664 53.860 2.429 1.00 19.39 O HETATM 2717 O HOH E5055 63.190 65.032 5.229 1.00 13.00 O HETATM 2718 O HOH E5056 70.450 62.925 3.488 1.00 21.05 O HETATM 2719 O HOH E5057 59.235 53.948 -5.695 1.00 16.27 O HETATM 2720 O HOH E5058 55.340 61.686 -7.941 1.00 19.43 O HETATM 2721 O HOH E5059 73.246 39.497 13.388 1.00 17.72 O HETATM 2722 O HOH E5060 72.257 48.873 20.509 1.00 19.49 O HETATM 2723 O HOH E5061 38.325 55.057 23.823 1.00 19.57 O HETATM 2724 O HOH E5062 36.283 55.091 17.641 1.00 19.22 O HETATM 2725 O HOH E5063 63.848 58.142 2.025 1.00 17.74 O HETATM 2726 O HOH E5064 72.117 64.866 4.278 1.00 21.41 O HETATM 2727 O HOH E5065 67.931 53.304 1.579 1.00 19.39 O HETATM 2728 O HOH E5066 37.394 57.341 27.029 1.00 21.15 O HETATM 2729 O HOH E5067 53.111 47.299 34.707 1.00 22.71 O HETATM 2730 O HOH E5068 63.633 62.162 -1.185 1.00 21.30 O HETATM 2731 O HOH E5069 60.630 59.600 -4.407 1.00 19.87 O HETATM 2732 O HOH E5070 77.963 54.019 17.038 1.00 40.28 O HETATM 2733 O HOH E5071 48.185 58.373 33.825 1.00 24.65 O HETATM 2734 O HOH E5072 67.626 41.318 19.061 1.00 20.83 O HETATM 2735 O HOH E5073 59.082 37.747 6.045 1.00 16.66 O HETATM 2736 O HOH E5074 46.699 52.954 36.534 1.00 26.98 O HETATM 2737 O HOH E5075 50.593 62.081 -6.376 1.00 24.87 O HETATM 2738 O HOH E5076 61.016 63.605 25.380 1.00 20.54 O HETATM 2739 O HOH E5077 65.322 41.807 1.070 1.00 22.94 O HETATM 2740 O HOH E5078 73.901 42.016 12.309 1.00 17.05 O HETATM 2741 O HOH E5079 58.271 33.166 -1.738 1.00 21.68 O HETATM 2742 O HOH E5080 45.970 50.499 32.715 1.00 25.82 O HETATM 2743 O HOH E5081 55.096 43.839 28.954 1.00 28.27 O HETATM 2744 O HOH E5082 48.878 53.569 -15.669 1.00 46.60 O HETATM 2745 O HOH E5083 66.124 43.146 21.241 1.00 25.03 O HETATM 2746 O HOH E5084 61.308 42.505 24.624 1.00 26.87 O HETATM 2747 O HOH E5085 72.104 65.607 8.196 1.00 31.60 O HETATM 2748 O HOH E5086 47.666 60.607 29.977 1.00 25.32 O HETATM 2749 O HOH E5087 56.005 37.009 20.139 1.00 23.42 O HETATM 2750 O HOH E5088 69.274 48.973 24.754 1.00 25.89 O HETATM 2751 O HOH E5089 66.201 56.994 1.073 1.00 22.57 O HETATM 2752 O HOH E5090 51.531 45.254 27.434 1.00 25.97 O HETATM 2753 O HOH E5091 57.257 68.658 9.085 1.00 20.45 O HETATM 2754 O HOH E5092 63.680 56.349 30.995 1.00 21.15 O HETATM 2755 O HOH E5093 64.021 48.189 0.528 1.00 22.64 O HETATM 2756 O HOH E5094 47.162 54.960 -12.119 1.00 22.94 O HETATM 2757 O HOH E5095 67.175 50.572 27.741 1.00 26.90 O HETATM 2758 O HOH E5096 65.059 47.533 25.464 1.00 20.29 O HETATM 2759 O HOH E5097 40.335 54.343 -6.777 1.00 24.30 O HETATM 2760 O HOH E5098 35.785 44.228 24.228 1.00 23.13 O HETATM 2761 O HOH E5099 56.144 57.678 -9.745 1.00 22.36 O HETATM 2762 O HOH E5100 62.899 65.946 21.227 1.00 20.72 O HETATM 2763 O HOH E5101 44.468 68.361 11.436 1.00 27.17 O HETATM 2764 O HOH E5102 45.042 54.150 -8.588 1.00 24.74 O HETATM 2765 O HOH E5103 48.432 36.724 20.618 1.00 39.09 O HETATM 2766 O HOH E5104 49.009 60.313 -7.703 1.00 20.69 O HETATM 2767 O HOH E5105 51.399 63.999 23.348 1.00 30.16 O HETATM 2768 O HOH E5106 44.641 45.536 -4.744 1.00 38.72 O HETATM 2769 O HOH E5107 71.885 60.362 4.398 1.00 27.91 O HETATM 2770 O HOH E5108 42.960 62.585 21.518 1.00 24.65 O HETATM 2771 O HOH E5109 66.174 49.770 0.991 1.00 27.86 O HETATM 2772 O HOH E5110 51.684 43.614 31.679 1.00 52.92 O HETATM 2773 O HOH E5111 64.416 63.995 0.877 1.00 27.41 O HETATM 2774 O HOH E5112 33.130 49.655 5.310 1.00 24.00 O HETATM 2775 O HOH E5113 38.539 60.400 -0.969 1.00 23.01 O HETATM 2776 O HOH E5114 57.629 55.295 31.263 1.00 14.90 O HETATM 2777 O HOH E5115 53.914 56.521 -11.187 1.00 20.34 O HETATM 2778 O HOH E5116 73.912 54.457 3.848 1.00 15.48 O HETATM 2779 O HOH E5117 64.985 45.725 0.360 1.00 28.71 O HETATM 2780 O HOH E5118 78.270 68.236 12.532 1.00 24.78 O HETATM 2781 O HOH E5119 35.178 55.262 21.671 1.00 31.14 O HETATM 2782 O HOH E5120 40.409 50.943 -5.686 1.00 25.41 O HETATM 2783 O HOH E5121 32.978 47.201 30.531 1.00 24.09 O HETATM 2784 O HOH E5122 58.679 45.631 30.621 1.00 23.41 O HETATM 2785 O HOH E5123 38.126 44.407 22.744 1.00 25.95 O HETATM 2786 O HOH E5124 37.973 65.252 7.209 1.00 23.31 O HETATM 2787 O HOH E5125 73.924 51.100 20.029 1.00 26.58 O HETATM 2788 O HOH E5126 75.595 51.146 17.678 1.00 26.21 O HETATM 2789 O HOH E5127 49.511 33.943 4.488 1.00 19.17 O HETATM 2790 O HOH E5128 35.186 61.899 4.045 1.00 28.64 O HETATM 2791 O HOH E5129 43.697 65.113 -0.081 1.00 29.87 O HETATM 2792 O HOH E5130 67.729 52.693 28.976 1.00 22.06 O HETATM 2793 O HOH E5131 32.200 52.378 5.541 1.00 31.95 O HETATM 2794 O HOH E5132 49.691 66.364 20.217 1.00 27.65 O HETATM 2795 O HOH E5133 38.789 43.390 6.209 1.00 26.37 O HETATM 2796 O HOH E5134 45.046 60.986 28.366 1.00 30.41 O HETATM 2797 O HOH E5135 35.945 57.826 18.824 1.00 24.56 O HETATM 2798 O HOH E5136 37.187 47.939 20.810 1.00 32.50 O HETATM 2799 O HOH E5137 60.777 48.045 -2.486 1.00 17.98 O HETATM 2800 O HOH E5138 44.851 70.033 3.747 1.00 27.14 O HETATM 2801 O HOH E5139 33.192 58.453 10.459 1.00 41.76 O HETATM 2802 O HOH E5140 52.441 50.349 -9.918 1.00 25.25 O HETATM 2803 O HOH E5141 69.601 68.867 7.034 1.00 31.99 O HETATM 2804 O HOH E5142 35.401 65.124 7.034 1.00 28.01 O HETATM 2805 O HOH E5143 35.351 50.650 2.960 1.00 26.13 O HETATM 2806 O HOH E5144 76.238 59.095 18.412 1.00 29.06 O HETATM 2807 O HOH E5145 61.589 67.128 16.836 1.00 35.22 O HETATM 2808 O HOH E5146 35.256 46.546 30.762 1.00 31.59 O HETATM 2809 O HOH E5147 49.893 42.566 0.714 1.00 21.00 O HETATM 2810 O HOH E5148 61.576 48.161 28.564 1.00 19.24 O HETATM 2811 O HOH E5149 45.584 37.931 18.816 1.00 30.54 O HETATM 2812 O HOH E5150 49.236 41.764 -1.549 1.00 37.76 O HETATM 2813 O HOH E5151 32.573 55.125 1.762 1.00 25.71 O HETATM 2814 O HOH E5152 55.905 60.360 -10.159 1.00 27.69 O HETATM 2815 O HOH E5153 36.300 62.464 23.695 1.00 29.42 O HETATM 2816 O HOH E5154 30.768 48.225 6.846 1.00 38.01 O HETATM 2817 O HOH E5155 48.677 40.453 2.488 1.00 21.19 O HETATM 2818 O HOH E5156 51.975 39.264 24.096 1.00 31.70 O HETATM 2819 O HOH E5157 54.517 54.430 -12.596 1.00 28.47 O HETATM 2820 O HOH E5158 67.154 43.843 2.287 1.00 32.36 O HETATM 2821 O HOH E5159 70.044 42.932 2.224 1.00 31.28 O HETATM 2822 O HOH E5160 39.034 43.776 18.288 1.00 35.49 O HETATM 2823 O HOH E5161 62.310 67.707 -0.218 1.00 30.97 O HETATM 2824 O HOH E5162 61.172 65.488 9.222 1.00 23.31 O HETATM 2825 O HOH E5163 50.971 69.443 -1.395 1.00 34.36 O HETATM 2826 O HOH E5164 61.517 40.304 23.195 1.00 30.88 O HETATM 2827 O HOH E5165 57.737 40.571 -8.390 1.00 38.03 O HETATM 2828 O HOH E5166 51.807 61.726 28.387 1.00 30.07 O HETATM 2829 O HOH E5167 56.154 28.495 -0.422 1.00 36.50 O HETATM 2830 O HOH E5168 59.729 58.438 -8.977 1.00 29.54 O HETATM 2831 O HOH E5169 63.516 65.637 7.945 1.00 24.66 O HETATM 2832 O HOH E5170 54.034 60.914 -12.027 1.00 27.95 O HETATM 2833 O HOH E5171 50.889 68.072 18.691 1.00 32.30 O HETATM 2834 O HOH E5172 60.944 47.018 30.933 1.00 26.17 O HETATM 2835 O HOH E5173 57.595 68.379 12.754 1.00 28.12 O HETATM 2836 O HOH E5174 51.239 31.991 5.387 1.00 28.65 O HETATM 2837 O HOH E5175 60.424 40.966 -7.127 1.00 32.14 O HETATM 2838 O HOH E5176 49.421 39.272 25.009 1.00 38.01 O HETATM 2839 O HOH E5177 59.600 42.605 27.361 1.00 40.27 O HETATM 2840 O HOH E5178 33.426 52.786 2.889 1.00 27.16 O HETATM 2841 O HOH E5179 63.635 43.296 24.862 1.00 38.47 O HETATM 2842 O HOH E5180 51.319 40.544 -2.309 1.00 33.13 O HETATM 2843 O HOH E5181 33.658 47.344 0.627 1.00 36.05 O HETATM 2844 O HOH E5182 54.597 39.850 26.218 1.00 36.46 O HETATM 2845 O HOH E5183 70.915 37.473 2.811 1.00 29.40 O HETATM 2846 O HOH E5184 36.673 50.104 28.785 1.00 22.89 O HETATM 2847 O HOH E5185 56.276 30.488 6.040 1.00 31.16 O HETATM 2848 O HOH E5186 51.624 66.174 22.297 1.00 42.74 O HETATM 2849 O HOH E5187 55.852 32.891 17.530 1.00 35.19 O HETATM 2850 O HOH E5188 35.139 63.720 17.101 1.00 31.82 O HETATM 2851 O HOH E5189 80.390 52.633 13.006 1.00 43.07 O HETATM 2852 O HOH E5190 56.661 70.364 10.886 1.00 48.72 O HETATM 2853 O HOH E5191 46.427 60.814 -8.107 1.00 32.18 O HETATM 2854 O HOH E5192 62.062 66.811 11.784 1.00 30.50 O HETATM 2855 O HOH E5193 47.208 40.127 -1.391 1.00 39.96 O HETATM 2856 O HOH E5194 50.081 69.979 10.324 1.00 34.68 O HETATM 2857 O HOH E5195 52.890 58.467 -12.822 1.00 32.74 O HETATM 2858 O HOH E5196 49.561 60.781 -10.425 1.00 26.40 O HETATM 2859 O HOH E5197 55.150 34.206 20.085 1.00 38.85 O HETATM 2860 O HOH E5198 57.301 38.048 25.215 1.00 34.77 O HETATM 2861 O HOH E5199 47.314 69.734 10.003 1.00 37.62 O HETATM 2862 O HOH E5200 58.717 47.440 -7.027 1.00 36.20 O HETATM 2863 O HOH E5201 50.101 58.677 -12.126 1.00 26.51 O HETATM 2864 O HOH E5202 63.138 65.443 26.788 1.00 39.01 O HETATM 2865 O HOH E5203 48.428 52.314 -13.408 1.00 33.18 O HETATM 2866 O HOH E5204 72.372 42.284 18.797 1.00 31.32 O HETATM 2867 O HOH E5205 63.349 31.583 9.454 1.00 33.89 O HETATM 2868 O HOH E5206 53.569 52.042 -11.835 1.00 35.49 O HETATM 2869 O HOH E5207 60.924 67.647 14.114 1.00 36.63 O HETATM 2870 O HOH E5208 35.300 50.209 16.610 1.00 34.68 O HETATM 2871 O HOH E5209 51.656 33.387 -1.118 1.00 38.24 O HETATM 2872 O HOH E5210 66.450 33.923 13.430 1.00 39.17 O HETATM 2873 O HOH E5211 34.116 57.150 24.396 1.00 28.41 O HETATM 2874 O HOH E5212 48.456 70.106 14.238 1.00 31.80 O HETATM 2875 O HOH E5213 64.109 47.502 27.939 1.00 31.97 O HETATM 2876 O HOH E5214 44.906 62.315 25.669 1.00 37.65 O HETATM 2877 O HOH E5215 36.302 50.426 -0.335 1.00 35.39 O HETATM 2878 O HOH E5216 53.969 69.007 16.151 1.00 40.20 O HETATM 2879 O HOH E5217 55.150 40.862 -4.777 1.00 31.22 O HETATM 2880 O HOH E5218 47.696 48.626 36.569 1.00 33.40 O HETATM 2881 O HOH E5219 54.782 31.966 12.858 1.00 30.62 O HETATM 2882 O HOH E5220 53.724 42.982 -8.797 1.00 38.97 O HETATM 2883 O HOH E5221 70.723 39.445 5.844 1.00 36.12 O HETATM 2884 O HOH E5222 66.960 40.405 -0.784 1.00 36.88 O HETATM 2885 O HOH E5223 46.061 59.031 32.587 1.00 48.42 O HETATM 2886 O HOH E5224 59.585 31.323 17.482 1.00 32.32 O HETATM 2887 O HOH E5225 58.094 49.738 -8.558 1.00 34.32 O HETATM 2888 O HOH E5226 74.310 61.551 3.638 1.00 39.14 O HETATM 2889 O HOH E5227 52.274 34.554 20.878 1.00 38.30 O HETATM 2890 O HOH E5228 63.829 66.218 24.040 1.00 39.76 O HETATM 2891 O HOH E5229 60.597 31.364 8.303 1.00 36.15 O HETATM 2892 O HOH E5230 61.116 53.808 -8.051 1.00 34.59 O HETATM 2893 O HOH E5231 64.483 66.702 3.519 1.00 28.79 O HETATM 2894 O HOH E5232 71.065 40.695 0.662 1.00 38.42 O HETATM 2895 O HOH E5233 45.779 58.365 35.542 1.00 36.11 O HETATM 2896 O HOH E5234 71.074 44.233 19.728 1.00 35.73 O HETATM 2897 O HOH E5235 63.935 67.549 18.934 1.00 40.31 O HETATM 2898 O HOH E5236 47.243 68.099 20.297 1.00 41.69 O HETATM 2899 O HOH E5237 45.409 69.715 13.996 1.00 32.51 O HETATM 2900 O HOH E5238 52.572 63.231 -8.286 1.00 33.96 O HETATM 2901 O HOH E5239 47.224 63.971 26.565 1.00 39.07 O HETATM 2902 O HOH E5240 41.280 68.211 8.640 1.00 41.68 O HETATM 2903 O HOH E5241 58.016 70.373 7.098 1.00 36.27 O HETATM 2904 O HOH E5242 50.158 46.900 34.504 1.00 43.56 O HETATM 2905 O HOH E5243 51.016 69.517 -4.320 1.00 42.03 O HETATM 2906 O HOH E5244 72.904 37.194 9.289 1.00 38.90 O HETATM 2907 O HOH E5245 44.528 70.782 7.472 1.00 39.13 O HETATM 2908 O HOH E5246 58.952 28.155 0.018 1.00 48.43 O HETATM 2909 O HOH E5247 51.923 31.668 1.544 1.00 42.74 O HETATM 2910 O HOH E5248 62.825 44.961 31.068 1.00 30.75 O HETATM 2911 O HOH E5249 60.192 30.350 -0.082 1.00 33.26 O HETATM 2912 O HOH E5250 34.290 53.043 18.015 1.00 40.47 O HETATM 2913 O HOH E5251 63.249 47.682 -3.188 1.00 34.32 O HETATM 2914 O HOH E5252 46.293 69.380 18.062 1.00 35.48 O HETATM 2915 O HOH E5253 55.441 68.477 -2.589 1.00 32.53 O HETATM 2916 O HOH E5254 45.326 67.591 0.458 1.00 40.15 O HETATM 2917 O HOH E5255 30.060 60.017 7.980 1.00 34.52 O HETATM 2918 O HOH E5256 52.824 47.119 37.391 1.00 36.21 O HETATM 2919 O HOH E5257 51.732 62.497 -10.871 1.00 36.06 O HETATM 2920 O HOH E5258 46.654 68.418 -1.755 1.00 32.88 O HETATM 2921 O HOH E5259 43.855 59.016 -7.676 1.00 35.44 O HETATM 2922 O HOH E5260 54.481 45.066 32.917 1.00 33.98 O HETATM 2923 O HOH E5261 43.518 51.600 -8.976 1.00 41.94 O HETATM 2924 O HOH E5262 47.991 57.392 -13.436 1.00 28.72 O HETATM 2925 O HOH E5263 76.240 59.467 6.319 1.00 55.07 O HETATM 2926 O HOH E5264 49.498 62.605 28.950 1.00 37.55 O HETATM 2927 O HOH E5265 49.998 72.764 2.005 1.00 40.60 O HETATM 2928 O HOH E5266 42.871 60.339 -5.724 1.00 35.30 O HETATM 2929 O HOH E5267 50.054 34.778 17.672 1.00 37.32 O HETATM 2930 O HOH E5268 57.402 32.767 14.160 1.00 37.48 O HETATM 2931 O HOH E5269 72.740 46.111 20.877 1.00 41.50 O HETATM 2932 O HOH E5270 68.324 36.926 17.203 1.00 36.18 O HETATM 2933 O HOH E5271 46.801 63.012 -6.381 1.00 38.08 O HETATM 2934 O HOH E5272 50.489 34.941 14.843 1.00 38.78 O HETATM 2935 O HOH E5273 36.221 55.532 25.227 1.00 31.66 O HETATM 2936 O HOH E5274 77.694 52.134 18.902 1.00 45.19 O HETATM 2937 O HOH E5275 50.891 31.412 8.308 1.00 36.61 O HETATM 2938 O HOH E5276 52.762 43.437 27.554 1.00 36.02 O HETATM 2939 O HOH E5277 64.658 68.157 8.670 1.00 38.91 O HETATM 2940 O HOH E5278 60.525 57.877 -11.273 1.00 34.91 O HETATM 2941 O HOH E5279 42.546 60.606 24.142 1.00 28.78 O HETATM 2942 O HOH E5280 31.728 54.924 -0.820 1.00 34.85 O HETATM 2943 O HOH E5281 35.683 48.868 -6.252 1.00 52.90 O HETATM 2944 O HOH E5282 43.434 56.345 -8.091 1.00 44.08 O HETATM 2945 O HOH E5283 58.697 42.892 31.582 1.00 38.83 O HETATM 2946 O HOH E5284 63.405 54.233 29.312 1.00 14.94 O HETATM 2947 O HOH E5285 76.530 42.473 18.409 1.00 30.70 O HETATM 2948 O HOH E5286 56.268 46.539 -9.084 1.00 39.68 O HETATM 2949 O HOH E5287 74.235 57.734 6.681 1.00 35.80 O HETATM 2950 O HOH E5288 59.009 37.739 -7.702 1.00 44.42 O HETATM 2951 O HOH E5289 60.034 44.810 -7.380 1.00 36.03 O HETATM 2952 O HOH E5290 58.160 29.544 -7.401 1.00 44.68 O HETATM 2953 O HOH E5291 78.140 57.139 16.804 0.50 14.89 O HETATM 2954 O HOH E5292 67.231 45.356 25.262 1.00 45.71 O HETATM 2955 O HOH E5293 56.442 66.880 23.731 1.00 36.63 O HETATM 2956 O HOH E5294 65.727 32.459 15.875 1.00 46.24 O HETATM 2957 O HOH E5295 53.872 54.421 -15.314 1.00 37.06 O HETATM 2958 O HOH E5296 43.099 63.327 24.010 1.00 46.49 O HETATM 2959 O HOH E5297 73.716 39.817 16.279 1.00 19.95 O HETATM 2960 O HOH E5298 35.011 57.009 -3.993 1.00 38.97 O HETATM 2961 O HOH E5299 75.037 58.954 10.102 1.00 33.94 O HETATM 2962 O HOH E5300 32.865 46.137 28.277 1.00 40.43 O HETATM 2963 O HOH E5301 50.506 65.799 -7.480 1.00 44.44 O HETATM 2964 O HOH E5302 65.369 52.584 30.295 1.00 37.07 O HETATM 2965 O HOH E5303 31.382 62.733 2.049 1.00 35.19 O HETATM 2966 O HOH E5304 36.888 60.378 -2.880 1.00 42.39 O HETATM 2967 O HOH E5305 74.495 62.653 13.925 1.00 29.13 O HETATM 2968 O HOH E5306 60.601 51.170 -9.402 1.00 36.67 O HETATM 2969 O HOH E5307 49.241 70.059 17.145 1.00 45.86 O HETATM 2970 O HOH E5308 43.067 69.851 9.460 1.00 40.17 O HETATM 2971 O HOH E5309 55.607 69.795 15.046 1.00 37.93 O HETATM 2972 O HOH E5310 43.233 65.962 21.266 1.00 46.01 O HETATM 2973 O HOH E5311 73.837 60.415 21.909 1.00 42.95 O HETATM 2974 O HOH E5312 57.659 61.384 28.311 1.00 20.62 O HETATM 2975 O HOH E5313 53.097 57.341 -15.289 1.00 42.93 O HETATM 2976 O HOH E5314 44.803 54.729 -11.302 1.00 41.59 O HETATM 2977 O HOH E5315 66.126 48.857 29.355 0.33 16.25 O HETATM 2978 O HOH E5316 76.970 66.385 8.336 1.00 33.80 O HETATM 2979 O HOH E5317 38.837 68.011 16.100 1.00 43.06 O HETATM 2980 O HOH E5318 64.831 49.933 30.030 0.67 32.17 O HETATM 2981 O HOH E5319 44.528 48.912 -8.979 1.00 48.87 O HETATM 2982 O HOH E5320 53.359 71.540 2.298 1.00 44.24 O HETATM 2983 O HOH E5321 50.800 64.448 25.811 1.00 41.48 O HETATM 2984 O HOH E5322 58.762 70.711 4.432 1.00 41.07 O HETATM 2985 O HOH E5323 70.021 34.484 12.504 1.00 41.67 O HETATM 2986 O HOH E5324 66.106 37.236 20.909 1.00 47.73 O HETATM 2987 O HOH E5325 61.773 37.302 -6.284 1.00 46.68 O HETATM 2988 O HOH E5326 30.309 52.600 9.137 1.00 47.28 O HETATM 2989 O HOH E5327 39.105 61.728 -5.251 1.00 39.61 O HETATM 2990 O HOH E5328 59.707 31.386 10.754 1.00 36.60 O HETATM 2991 O HOH E5329 68.297 36.276 -1.051 1.00 38.85 O HETATM 2992 O HOH E5330 34.967 48.907 23.805 1.00 47.29 O HETATM 2993 O HOH E5331 51.492 64.325 -12.702 1.00 44.52 O HETATM 2994 O HOH E5332 50.000 59.718 34.667 1.00 42.15 O HETATM 2995 O HOH E5333 75.043 44.921 21.018 1.00 43.97 O HETATM 2996 O HOH E5334 38.259 55.456 -6.351 1.00 44.88 O HETATM 2997 O HOH E5335 54.385 33.597 14.720 1.00 39.49 O HETATM 2998 O HOH E5336 67.786 31.036 14.353 1.00 40.90 O HETATM 2999 O HOH E5337 46.827 44.745 28.079 1.00 45.71 O HETATM 3000 O HOH E5338 48.882 45.113 28.096 1.00 47.04 O HETATM 3001 O HOH E5339 53.317 36.421 -5.492 1.00 48.13 O HETATM 3002 O HOH E5340 65.263 71.307 12.186 1.00 44.06 O HETATM 3003 O HOH E5341 57.884 64.367 31.831 1.00 49.26 O HETATM 3004 O HOH E5342 50.073 61.837 -14.583 1.00 45.46 O HETATM 3005 O HOH E5343 63.896 71.629 14.348 1.00 38.29 O HETATM 3006 O HOH E5344 47.428 47.054 28.947 1.00 44.07 O HETATM 3007 O HOH E5345 62.047 67.004 28.396 1.00 47.13 O HETATM 3008 O HOH E5346 48.385 42.222 28.947 1.00 42.30 O HETATM 3009 O HOH E5347 46.982 62.755 28.850 1.00 36.64 O HETATM 3010 O HOH E5348 36.378 61.112 19.166 1.00 50.27 O HETATM 3011 O HOH E5349 54.819 31.415 -6.759 1.00 42.27 O HETATM 3012 O HOH E5350 54.746 68.232 21.383 1.00 56.08 O HETATM 3013 O HOH E5351 54.739 37.728 24.070 1.00 57.76 O HETATM 3014 O HOH E5352 34.401 46.612 23.652 1.00 40.45 O HETATM 3015 O HOH E5353 34.828 50.301 -2.425 1.00 39.59 O HETATM 3016 O HOH E5354 68.360 47.093 -0.198 1.00 42.04 O HETATM 3017 O HOH E5355 71.212 36.031 14.370 1.00 47.93 O HETATM 3018 O HOH E5356 68.561 34.852 15.061 1.00 45.66 O HETATM 3019 O HOH E5357 68.290 49.975 -0.257 1.00 46.64 O HETATM 3020 O HOH E5358 57.972 65.462 -6.710 1.00 48.11 O HETATM 3021 O HOH E5359 38.008 59.305 -4.711 1.00 50.54 O HETATM 3022 O HOH E5360 42.112 68.919 6.478 1.00 45.42 O HETATM 3023 O HOH E5361 69.646 39.746 19.182 1.00 41.22 O HETATM 3024 O HOH E5362 32.517 56.360 -3.277 1.00 37.23 O HETATM 3025 O HOH E5363 32.561 47.539 26.283 1.00 41.89 O HETATM 3026 O HOH E5364 56.878 41.767 28.239 1.00 52.01 O HETATM 3027 O HOH E5365 54.893 66.755 -7.680 1.00 40.69 O HETATM 3028 O HOH E5366 29.695 52.602 4.826 1.00 46.18 O HETATM 3029 O HOH E5367 32.442 49.004 -3.221 1.00 45.20 O HETATM 3030 O HOH E5368 78.371 49.600 19.480 1.00 58.26 O HETATM 3031 O HOH E5369 51.074 37.634 -3.447 1.00 51.40 O HETATM 3032 O HOH E5370 56.228 50.151 -10.517 1.00 46.72 O HETATM 3033 O HOH E5371 44.088 64.964 -3.183 1.00 42.07 O HETATM 3034 O HOH E5372 70.173 42.617 22.410 1.00 40.24 O HETATM 3035 O HOH E5373 80.985 61.673 11.028 1.00 53.77 O HETATM 3036 O HOH E5374 78.400 60.691 11.497 1.00 51.77 O HETATM 3037 O HOH E5375 35.108 44.470 29.138 1.00 42.43 O HETATM 3038 O HOH E5376 77.892 57.833 17.748 0.50 19.61 O HETATM 3039 O HOH E5377 44.574 37.912 16.213 1.00 36.13 O HETATM 3040 O HOH E5378 49.354 34.095 -0.447 1.00 35.92 O HETATM 3041 O HOH E5379 45.622 37.233 -0.467 1.00 33.44 O HETATM 3042 O HOH E5380 54.257 30.867 4.527 1.00 37.21 O HETATM 3043 O HOH E5381 46.905 61.115 -10.867 1.00 37.35 O HETATM 3044 O HOH E5382 34.054 46.645 11.410 1.00 40.30 O HETATM 3045 O HOH E5383 40.991 51.840 -8.585 1.00 37.66 O HETATM 3046 O HOH E5384 64.225 49.604 -2.030 1.00 44.01 O HETATM 3047 O HOH E5385 64.589 28.987 0.895 1.00 40.69 O HETATM 3048 O HOH E5386 46.020 58.929 -12.982 1.00 39.37 O HETATM 3049 O HOH E5387 66.852 43.113 -1.817 1.00 43.10 O HETATM 3050 O HOH E5388 36.803 45.169 16.707 1.00 41.58 O HETATM 3051 O HOH E5389 35.393 48.542 -0.416 1.00 40.12 O HETATM 3052 O HOH E5390 64.144 39.312 20.528 1.00 40.88 O HETATM 3053 O HOH E5391 48.911 48.314 31.815 1.00 19.86 O HETATM 3054 O HOH E5392 74.544 52.772 25.666 1.00 47.26 O HETATM 3055 O HOH E5393 70.399 64.035 7.333 0.50 11.66 O HETATM 3056 O HOH I 84 29.964 29.002 -8.383 1.00 13.54 O HETATM 3057 O HOH I 85 27.406 22.853 3.357 1.00 12.97 O HETATM 3058 O HOH I 86 28.645 25.347 3.978 1.00 13.85 O HETATM 3059 O HOH I 87 26.660 30.513 0.122 1.00 15.32 O HETATM 3060 O HOH I 88 41.711 36.457 4.527 1.00 14.06 O HETATM 3061 O HOH I 89 39.495 36.041 -2.515 1.00 14.61 O HETATM 3062 O HOH I 90 41.601 35.860 1.166 1.00 17.99 O HETATM 3063 O HOH I 91 31.160 31.033 10.625 1.00 19.37 O HETATM 3064 O HOH I 92 30.821 25.464 -9.918 1.00 18.23 O HETATM 3065 O HOH I 93 46.124 38.791 6.422 1.00 18.42 O HETATM 3066 O HOH I 94 42.076 36.505 -1.463 1.00 21.98 O HETATM 3067 O HOH I 95 40.525 45.429 9.516 1.00 33.11 O HETATM 3068 O HOH I 96 34.194 36.783 -13.512 1.00 19.52 O HETATM 3069 O HOH I 97 47.245 32.458 5.552 1.00 20.77 O HETATM 3070 O HOH I 98 45.158 35.372 -6.208 1.00 24.72 O HETATM 3071 O HOH I 99 27.295 30.066 2.842 1.00 25.50 O HETATM 3072 O HOH I 100 30.838 40.627 3.673 1.00 24.41 O HETATM 3073 O HOH I 101 25.141 22.235 1.809 1.00 23.00 O HETATM 3074 O HOH I 102 43.271 41.764 14.366 1.00 24.44 O HETATM 3075 O HOH I 103 25.629 20.692 -0.283 1.00 27.52 O HETATM 3076 O HOH I 104 43.380 37.782 2.089 1.00 27.89 O HETATM 3077 O HOH I 105 31.179 34.342 8.193 1.00 25.98 O HETATM 3078 O HOH I 106 37.761 42.325 8.847 1.00 28.21 O HETATM 3079 O HOH I 107 24.867 23.272 -3.399 1.00 26.90 O HETATM 3080 O HOH I 108 43.842 44.051 -1.214 1.00 37.05 O HETATM 3081 O HOH I 109 37.798 44.082 12.000 1.00 51.79 O HETATM 3082 O HOH I 110 23.284 24.824 -0.393 1.00 32.42 O HETATM 3083 O HOH I 111 44.705 41.484 -0.488 1.00 27.95 O HETATM 3084 O HOH I 112 30.619 42.540 -7.003 1.00 24.39 O HETATM 3085 O HOH I 113 24.740 36.315 -2.408 1.00 26.40 O HETATM 3086 O HOH I 114 34.332 44.273 -7.316 1.00 24.91 O HETATM 3087 O HOH I 115 37.983 35.376 -11.468 1.00 32.77 O HETATM 3088 O HOH I 116 27.303 32.248 4.488 1.00 34.01 O HETATM 3089 O HOH I 117 34.526 21.891 1.234 1.00 32.37 O HETATM 3090 O HOH I 118 29.074 27.340 10.270 1.00 27.08 O HETATM 3091 O HOH I 119 37.779 29.501 12.239 1.00 35.61 O HETATM 3092 O HOH I 120 29.735 41.959 -3.400 1.00 29.65 O HETATM 3093 O HOH I 121 37.679 38.103 -12.288 1.00 29.56 O HETATM 3094 O HOH I 122 25.411 32.786 0.060 1.00 39.19 O HETATM 3095 O HOH I 123 29.478 33.788 5.205 1.00 38.76 O HETATM 3096 O HOH I 124 38.620 21.039 7.457 1.00 30.42 O HETATM 3097 O HOH I 125 38.086 24.957 11.313 1.00 36.16 O HETATM 3098 O HOH I 126 23.928 30.931 -1.239 1.00 29.59 O HETATM 3099 O HOH I 127 39.880 44.824 13.345 1.00 38.72 O HETATM 3100 O HOH I 128 45.924 35.501 13.904 1.00 26.88 O HETATM 3101 O HOH I 129 43.646 29.371 -8.707 1.00 27.57 O HETATM 3102 O HOH I 130 35.837 43.627 -11.908 1.00 30.75 O HETATM 3103 O HOH I 131 27.985 42.155 -8.474 1.00 32.45 O HETATM 3104 O HOH I 132 28.542 31.559 9.451 1.00 37.65 O HETATM 3105 O HOH I 133 42.508 42.676 -4.128 1.00 29.66 O HETATM 3106 O HOH I 134 44.182 40.442 2.229 1.00 24.72 O HETATM 3107 O HOH I 135 31.832 43.891 -3.024 1.00 36.22 O HETATM 3108 O HOH I 136 34.807 32.644 -13.891 1.00 31.81 O HETATM 3109 O HOH I 137 45.373 41.562 6.218 1.00 25.94 O HETATM 3110 O HOH I 138 28.222 20.082 -0.310 1.00 34.64 O HETATM 3111 O HOH I 139 45.637 34.827 -1.693 1.00 33.03 O HETATM 3112 O HOH I 140 27.265 24.115 -4.186 1.00 21.72 O HETATM 3113 O HOH I 141 37.697 22.274 -0.069 1.00 31.57 O HETATM 3114 O HOH I 142 36.391 45.865 -7.877 1.00 33.58 O HETATM 3115 O HOH I 143 32.001 44.551 -0.462 1.00 40.41 O HETATM 3116 O HOH I 144 30.968 22.877 -4.341 1.00 38.39 O HETATM 3117 O HOH I 145 31.600 20.838 -1.474 1.00 42.46 O HETATM 3118 O HOH I 146 29.168 22.665 -2.794 1.00 42.36 O HETATM 3119 O HOH I 147 39.680 25.706 13.218 1.00 41.03 O HETATM 3120 O HOH I 148 27.433 39.402 -2.748 1.00 36.18 O HETATM 3121 O HOH I 149 26.373 35.317 -0.274 1.00 45.66 O HETATM 3122 O HOH I 150 37.306 22.925 -2.496 1.00 35.34 O HETATM 3123 O HOH I 151 39.817 24.822 9.007 1.00 38.28 O HETATM 3124 O HOH I 152 44.775 24.241 -0.381 1.00 39.61 O HETATM 3125 O HOH I 153 39.135 40.693 -11.658 1.00 36.08 O HETATM 3126 O HOH I 154 27.855 43.606 -12.422 1.00 27.93 O HETATM 3127 O HOH I 155 39.049 41.218 16.463 1.00 49.44 O HETATM 3128 O HOH I 156 28.578 43.107 -17.362 1.00 32.55 O HETATM 3129 O HOH I 157 40.227 28.236 -9.945 1.00 45.66 O HETATM 3130 O HOH I 158 38.384 48.187 -6.653 1.00 47.92 O HETATM 3131 O HOH I 159 29.441 36.555 4.585 1.00 50.41 O HETATM 3132 O HOH I 160 47.987 33.786 14.059 1.00 34.27 O HETATM 3133 O HOH I 161 41.292 40.031 16.159 1.00 38.42 O HETATM 3134 O HOH I 162 30.591 32.120 12.877 1.00 37.61 O HETATM 3135 O HOH I 163 45.385 39.769 14.658 1.00 20.21 O HETATM 3136 O HOH I 164 36.666 28.511 -11.803 1.00 35.27 O HETATM 3137 O HOH I 165 35.512 25.798 14.507 1.00 41.66 O HETATM 3138 O HOH I 166 35.562 32.020 14.735 1.00 54.72 O HETATM 3139 O HOH I 167 35.917 24.629 -7.104 1.00 42.09 O HETATM 3140 O HOH I 168 36.247 26.563 11.782 1.00 25.79 O HETATM 3141 O HOH I 169 43.495 43.367 8.981 1.00 20.34 O HETATM 3142 O HOH I 170 45.799 24.996 2.509 1.00 35.89 O HETATM 3143 O HOH I 171 29.482 45.297 -13.816 1.00 51.04 O HETATM 3144 O HOH I 172 47.600 30.032 4.245 1.00 36.40 O HETATM 3145 O HOH I 173 41.809 43.790 10.801 0.50 18.21 O HETATM 3146 O HOH I 174 36.091 34.712 -13.337 1.00 42.54 O HETATM 3147 O HOH I 175 41.747 27.642 9.391 1.00 45.76 O HETATM 3148 O HOH I 176 35.814 39.141 11.029 1.00 51.03 O HETATM 3149 O HOH I 177 47.910 25.139 5.445 1.00 48.69 O HETATM 3150 O HOH I 178 41.390 35.502 14.526 0.33 23.31 O HETATM 3151 O HOH I 179 32.227 44.770 -5.511 1.00 37.99 O HETATM 3152 O HOH I 180 43.375 38.470 4.128 1.00 34.77 O HETATM 3153 O HOH I 181 28.405 39.141 1.884 1.00 38.08 O HETATM 3154 O HOH I 182 44.826 28.405 10.052 1.00 55.35 O HETATM 3155 O HOH I 183 35.789 23.294 -4.326 1.00 47.17 O HETATM 3156 O HOH I 184 34.985 40.382 -14.655 1.00 43.96 O HETATM 3157 O HOH I 185 30.520 40.221 6.679 1.00 47.18 O HETATM 3158 O HOH I 186 38.172 25.367 -10.199 1.00 54.84 O HETATM 3159 O HOH I 187 46.230 40.529 4.003 1.00 23.03 O HETATM 3160 O HOH I 188 36.905 45.604 -10.383 1.00 50.23 O HETATM 3161 O HOH I 189 43.887 40.541 -7.017 1.00 31.98 O HETATM 3162 O HOH I 190 47.064 38.177 -5.896 1.00 47.92 O HETATM 3163 O HOH I 191 49.380 32.642 2.116 1.00 40.76 O HETATM 3164 O HOH I 192 47.431 32.641 -1.261 1.00 40.21 O HETATM 3165 O HOH I 193 49.199 31.437 12.434 1.00 37.99 O CONECT 13 2571 CONECT 298 2571 CONECT 532 2571 CONECT 551 2571 CONECT 562 2571 CONECT 574 2571 CONECT 1178 2572 CONECT 1191 2572 CONECT 1216 2572 CONECT 2571 13 298 532 551 CONECT 2571 562 574 CONECT 2572 1178 1191 1216 2698 CONECT 2572 2799 CONECT 2573 2574 2575 2576 CONECT 2574 2573 CONECT 2575 2573 CONECT 2576 2573 2577 CONECT 2577 2576 2578 2579 2583 CONECT 2578 2577 CONECT 2579 2577 2580 CONECT 2580 2579 2581 2582 CONECT 2581 2580 CONECT 2582 2580 CONECT 2583 2577 2584 2585 CONECT 2584 2583 CONECT 2585 2583 CONECT 2586 2588 2590 2592 CONECT 2587 2589 2591 2592 CONECT 2588 2586 CONECT 2589 2587 CONECT 2590 2586 CONECT 2591 2587 CONECT 2592 2586 2587 2593 CONECT 2593 2592 2594 2595 2599 CONECT 2594 2593 CONECT 2595 2593 2596 CONECT 2596 2595 2597 2598 CONECT 2597 2596 CONECT 2598 2596 CONECT 2599 2593 2600 2601 CONECT 2600 2599 CONECT 2601 2599 CONECT 2602 2603 2604 2605 CONECT 2603 2602 CONECT 2604 2602 CONECT 2605 2602 2606 CONECT 2606 2605 2607 2608 2612 CONECT 2607 2606 CONECT 2608 2606 2609 CONECT 2609 2608 2610 2611 CONECT 2610 2609 CONECT 2611 2609 CONECT 2612 2606 2613 2614 CONECT 2613 2612 CONECT 2614 2612 CONECT 2615 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 2624 CONECT 2624 2623 2625 CONECT 2625 2624 CONECT 2626 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 2634 CONECT 2634 2633 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 CONECT 2642 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 2650 CONECT 2650 2649 2651 CONECT 2651 2650 2652 CONECT 2652 2651 2653 CONECT 2653 2652 2654 CONECT 2654 2653 2655 CONECT 2655 2654 CONECT 2656 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 2572 CONECT 2799 2572 MASTER 443 0 9 11 15 0 21 6 3097 2 109 27 END
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64aa, >1Y3D_2|Chain... at 92%
1y48
RCSB PDB
PDBbind
64aa, >1Y48_2|Chain... at 92%
1y4a
RCSB PDB
PDBbind
64aa, >1Y4A_2|Chain... at 90%
1y4d
RCSB PDB
PDBbind
64aa, >1Y4D_2|Chain... at 90%
2sni
RCSB PDB
PDBbind
83aa, >2SNI_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1tm1
RCSB PDB
PDBbind
64-mer
1tm3
RCSB PDB
PDBbind
64-mer
1tm4
RCSB PDB
PDBbind
64-mer
1tm5
RCSB PDB
PDBbind
64-mer
1tm7
RCSB PDB
PDBbind
64-mer
1to1
RCSB PDB
PDBbind
64-mer
1y1k
RCSB PDB
PDBbind
64-mer
1y33
RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
64-mer
1y3d
RCSB PDB
PDBbind
64-mer
1y48
RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y34
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
1.55(Å)
Affinity (Kd/Ki/IC50)
Ki=0.52nM
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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