Browse entries in the PDBbind-CN Database
HEADER HYDROLASE 10-JUN-04 1TM1 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUBTILISIN BPN' PRECURSOR; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: SUBTILISIN NOVO, ALKALINE PROTEASE; COMPND 5 EC: 3.4.21.62; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; COMPND 9 CHAIN: I; COMPND 10 ENGINEERED: YES; COMPND 11 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 SUBSP. VULGARE; SOURCE 12 ORGANISM_COMMON: DOMESTICATED BARLEY; SOURCE 13 ORGANISM_TAXID: 112509; SOURCE 14 STRAIN: SUBSP. VULGARE; SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 16 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 17 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 18 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 19 EXPRESSION_SYSTEM_PLASMID: PCI2ER1 KEYWDS SERINE PROTEASE, INHIBITOR, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR E.S.RADISKY,G.KWAN,C.J.KAREN LU,D.E.KOSHLAND JR. REVDAT 3 11-OCT-17 1TM1 1 REMARK REVDAT 2 24-FEB-09 1TM1 1 VERSN REVDAT 1 09-NOV-04 1TM1 0 JRNL AUTH E.S.RADISKY,G.KWAN,C.J.KAREN LU,D.E.KOSHLAND JR. JRNL TITL BINDING, PROTEOLYTIC, AND CRYSTALLOGRAPHIC ANALYSES OF JRNL TITL 2 MUTATIONS AT THE PROTEASE-INHIBITOR INTERFACE OF THE JRNL TITL 3 SUBTILISIN BPN'/CHYMOTRYPSIN INHIBITOR 2 COMPLEX(,). JRNL REF BIOCHEMISTRY V. 43 13648 2004 JRNL REFN ISSN 0006-2960 JRNL PMID 15504027 JRNL DOI 10.1021/BI048797K REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : -3.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 50141 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 PDB ENTRY 1TM3 REMARK 3 R VALUE (WORKING + TEST SET) : 0.152 REMARK 3 R VALUE (WORKING SET) : 0.151 REMARK 3 FREE R VALUE : 0.182 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2647 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3591 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2110 REMARK 3 BIN FREE R VALUE SET COUNT : 186 REMARK 3 BIN FREE R VALUE : 0.2230 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2509 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 82 REMARK 3 SOLVENT ATOMS : 511 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.04 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.14000 REMARK 3 B22 (A**2) : 0.14000 REMARK 3 B33 (A**2) : -0.21000 REMARK 3 B12 (A**2) : 0.07000 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): 0.076 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.079 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.050 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.532 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.955 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2686 ; 0.020 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3643 ; 1.800 ; 1.961 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 346 ; 5.818 ; 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): 409 ; 0.135 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2008 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1390 ; 0.216 ; 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): 389 ; 0.178 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 9 ; 0.077 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 44 ; 0.400 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 48 ; 0.167 ; 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 ; 0.939 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2774 ; 1.581 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 968 ; 2.719 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 868 ; 4.528 ; 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 1TM1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000022759. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JUN-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) : 1.0 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 REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA, TRUNCATE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 52791 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 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 (%) : 98.2 REMARK 200 DATA REDUNDANCY : 4.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06800 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.9000 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: PDB ENTRY 1TM3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 63.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.40 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, ISOPROPANOL, PEG 4000, REMARK 280 XYLITOL, PH 4.6, VAPOR DIFFUSION, HANGING DROP, 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 123.90200 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 61.95100 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 92.92650 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 30.97550 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 154.87750 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 123.90200 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 61.95100 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 30.97550 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 92.92650 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 154.87750 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: 3210 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13390 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 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: 7420 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25790 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -48.0 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 93.72000 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 162.32780 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 30.97550 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 OH5 1PE E 526 C12 1PE E 527 1.43 REMARK 500 O HOH E 807 O HOH E 849 2.06 REMARK 500 O HOH E 743 O HOH E 837 2.13 REMARK 500 O HOH E 887 O HOH E 891 2.13 REMARK 500 O HOH E 865 O HOH E 866 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 C13 1PE E 525 C13 1PE E 525 9765 1.77 REMARK 500 O HOH E 757 O HOH E 851 6654 2.05 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. = 6.4 DEGREES REMARK 500 ARG I 81 NE - CZ - NH1 ANGL. DEV. = 3.0 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 THR E 22 13.83 -140.37 REMARK 500 ASP E 32 -151.73 -169.13 REMARK 500 SER E 63 -25.42 110.99 REMARK 500 ALA E 73 26.50 -149.71 REMARK 500 ASN E 77 -159.83 -161.81 REMARK 500 SER E 159 69.82 -152.74 REMARK 500 LEU E 257 -123.74 -115.30 REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 THERE ARE THREE POLYETHYLENE GLYCOL IDENTIFIED. REMARK 600 SOME OF THE ATOMS ARE MISSING FROM THESE RESIDUES. 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 1PE E 525 REMARK 610 1PE E 526 REMARK 610 1PE E 527 REMARK 610 1PE E 528 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 E 520 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 155.1 REMARK 620 3 ASP E 41 OD2 153.6 49.1 REMARK 620 4 LEU E 75 O 75.5 87.4 107.1 REMARK 620 5 ASN E 77 OD1 81.4 80.8 124.3 90.5 REMARK 620 6 ILE E 79 O 97.4 96.2 83.5 168.2 79.0 REMARK 620 7 VAL E 81 O 84.4 114.8 69.4 92.2 164.3 96.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E 521 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY E 169 O REMARK 620 2 TYR E 171 O 92.9 REMARK 620 3 VAL E 174 O 107.3 88.5 REMARK 620 4 HOH E 664 O 105.5 87.3 147.2 REMARK 620 5 HOH E 560 O 107.4 159.3 81.7 91.0 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 520 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 521 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 522 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 523 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 524 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 525 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 526 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 527 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 528 DBREF 1TM1 E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1TM1 I 21 83 GB 19005 CAA40350 22 84 SEQADV 1TM1 HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1TM1 HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1TM1 HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1TM1 HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1TM1 HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1TM1 HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1TM1 MET I 20 GB 19005 INITIATING METHIONINE SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 MET GLU TYR ARG ILE ASP ARG VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E 520 1 HET NA E 521 1 HET CIT E 522 13 HET CIT E 523 13 HET CIT E 524 13 HET 1PE E 525 11 HET 1PE E 526 1 HET 1PE E 527 15 HET 1PE E 528 14 HETNAM CA CALCIUM ION HETNAM NA SODIUM ION HETNAM CIT CITRIC ACID HETNAM 1PE PENTAETHYLENE GLYCOL HETSYN 1PE PEG400 FORMUL 3 CA CA 2+ FORMUL 4 NA NA 1+ FORMUL 5 CIT 3(C6 H8 O7) FORMUL 8 1PE 4(C10 H22 O6) FORMUL 12 HOH *511(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 GLN E 103 ASN E 117 1 15 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O SER E 89 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O VAL E 198 N GLY E 178 SHEET 1 B 3 SER E 101 GLY E 102 0 SHEET 2 B 3 ILE I 56 THR I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O 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 E 520 1555 1555 2.41 LINK OD1 ASP E 41 CA CA E 520 1555 1555 2.43 LINK OD2 ASP E 41 CA CA E 520 1555 1555 2.71 LINK O LEU E 75 CA CA E 520 1555 1555 2.31 LINK OD1 ASN E 77 CA CA E 520 1555 1555 2.41 LINK O ILE E 79 CA CA E 520 1555 1555 2.38 LINK O VAL E 81 CA CA E 520 1555 1555 2.30 LINK O GLY E 169 NA NA E 521 1555 1555 2.38 LINK O TYR E 171 NA NA E 521 1555 1555 2.32 LINK O VAL E 174 NA NA E 521 1555 1555 2.30 LINK NA NA E 521 O HOH E 664 1555 1555 2.35 LINK NA NA E 521 O HOH E 560 1555 1555 2.52 CISPEP 1 TYR E 167 PRO E 168 0 7.25 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 E 560 SITE 2 AC2 5 HOH E 664 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 E 523 SITE 3 AC3 13 HOH E 556 HOH E 610 HOH E 645 HOH E 844 SITE 4 AC3 13 HOH E 932 SITE 1 AC4 12 TRP E 241 GLN E 245 HIS E 276 CIT E 522 SITE 2 AC4 12 HOH E 588 HOH E 610 HOH E 753 HOH E 829 SITE 3 AC4 12 HOH E 844 HOH E 916 HOH E 932 HOH E 933 SITE 1 AC5 14 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 14 HOH E 563 HOH E 589 HOH E 614 HOH E 648 SITE 3 AC5 14 HOH E 712 HOH E 738 HOH E 800 HOH E 851 SITE 4 AC5 14 HOH E 864 HOH E 887 SITE 1 AC6 5 HIS E 17 THR E 22 ASN E 76 HOH E 840 SITE 2 AC6 5 HOH E 913 SITE 1 AC7 4 SER E 145 1PE E 527 HOH E 689 HOH E 790 SITE 1 AC8 6 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC8 6 1PE E 526 HOH E 790 SITE 1 AC9 5 SER E 37 VAL E 44 ALA E 45 GLY E 47 SITE 2 AC9 5 PHE E 58 CRYST1 93.720 93.720 185.853 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 0.010670 0.006160 0.000000 0.00000 SCALE2 0.000000 0.012321 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005381 0.00000 ATOM 1 N ALA E 1 48.900 51.007 36.693 1.00 13.48 N ATOM 2 CA ALA E 1 50.327 51.034 36.220 1.00 13.42 C ATOM 3 C ALA E 1 50.327 50.811 34.718 1.00 13.20 C ATOM 4 O ALA E 1 49.459 50.107 34.158 1.00 13.91 O ATOM 5 CB ALA E 1 51.114 49.900 36.903 1.00 13.36 C ATOM 6 N GLN E 2 51.290 51.439 34.064 1.00 11.45 N ATOM 7 CA GLN E 2 51.534 51.249 32.657 1.00 10.89 C ATOM 8 C GLN E 2 52.379 49.995 32.441 1.00 10.29 C ATOM 9 O GLN E 2 53.215 49.623 33.284 1.00 11.45 O ATOM 10 CB GLN E 2 52.274 52.498 32.176 1.00 8.98 C ATOM 11 CG GLN E 2 52.758 52.459 30.723 1.00 11.46 C ATOM 12 CD GLN E 2 53.245 53.833 30.328 1.00 12.08 C ATOM 13 OE1 GLN E 2 52.474 54.665 29.783 1.00 10.62 O ATOM 14 NE2 GLN E 2 54.513 54.112 30.670 1.00 9.89 N ATOM 15 N SER E 3 52.158 49.330 31.304 1.00 9.72 N ATOM 16 CA SER E 3 52.967 48.191 30.856 1.00 10.53 C ATOM 17 C SER E 3 53.653 48.543 29.535 1.00 10.64 C ATOM 18 O SER E 3 53.103 49.279 28.699 1.00 11.46 O ATOM 19 CB SER E 3 52.056 46.955 30.661 1.00 12.15 C ATOM 20 OG ASER E 3 50.998 47.227 29.809 0.33 11.68 O ATOM 21 OG BSER E 3 52.640 45.987 29.808 0.33 9.60 O ATOM 22 OG CSER E 3 51.329 46.676 31.831 0.33 10.76 O ATOM 23 N VAL E 4 54.878 48.064 29.379 1.00 9.03 N ATOM 24 CA VAL E 4 55.619 48.315 28.150 1.00 9.86 C ATOM 25 C VAL E 4 55.520 47.025 27.309 1.00 9.49 C ATOM 26 O VAL E 4 56.096 46.003 27.705 1.00 11.41 O ATOM 27 CB VAL E 4 57.079 48.601 28.443 1.00 10.17 C ATOM 28 CG1 VAL E 4 57.854 48.878 27.129 1.00 11.60 C ATOM 29 CG2 VAL E 4 57.146 49.861 29.370 1.00 10.71 C ATOM 30 N PRO E 5 54.767 47.050 26.210 1.00 8.89 N ATOM 31 CA PRO E 5 54.651 45.840 25.371 1.00 9.58 C ATOM 32 C PRO E 5 56.036 45.353 24.961 1.00 10.39 C ATOM 33 O PRO E 5 56.969 46.153 24.751 1.00 10.60 O ATOM 34 CB PRO E 5 53.848 46.344 24.163 1.00 10.90 C ATOM 35 CG PRO E 5 53.008 47.509 24.739 1.00 11.82 C ATOM 36 CD PRO E 5 54.030 48.192 25.622 1.00 9.79 C ATOM 37 N TYR E 6 56.185 44.029 24.843 1.00 9.41 N ATOM 38 CA TYR E 6 57.532 43.473 24.609 1.00 10.32 C ATOM 39 C TYR E 6 58.198 44.042 23.351 1.00 9.63 C ATOM 40 O TYR E 6 59.432 44.215 23.326 1.00 10.50 O ATOM 41 CB TYR E 6 57.500 41.931 24.530 1.00 11.13 C ATOM 42 CG TYR E 6 57.082 41.382 23.135 1.00 12.25 C ATOM 43 CD1 TYR E 6 58.043 41.198 22.101 1.00 12.78 C ATOM 44 CD2 TYR E 6 55.751 41.039 22.841 1.00 14.05 C ATOM 45 CE1 TYR E 6 57.667 40.710 20.822 1.00 11.58 C ATOM 46 CE2 TYR E 6 55.393 40.565 21.589 1.00 10.26 C ATOM 47 CZ TYR E 6 56.370 40.387 20.590 1.00 12.92 C ATOM 48 OH TYR E 6 56.061 39.902 19.338 1.00 17.04 O ATOM 49 N GLY E 7 57.381 44.333 22.336 1.00 9.46 N ATOM 50 CA GLY E 7 57.929 44.775 21.062 1.00 9.48 C ATOM 51 C GLY E 7 58.603 46.147 21.169 1.00 8.95 C ATOM 52 O GLY E 7 59.608 46.402 20.483 1.00 9.74 O ATOM 53 N VAL E 8 58.075 47.007 22.042 1.00 8.69 N ATOM 54 CA VAL E 8 58.692 48.344 22.245 1.00 8.94 C ATOM 55 C VAL E 8 60.095 48.139 22.863 1.00 9.97 C ATOM 56 O VAL E 8 61.087 48.772 22.438 1.00 9.17 O ATOM 57 CB VAL E 8 57.798 49.180 23.197 1.00 9.01 C ATOM 58 CG1 VAL E 8 58.477 50.528 23.553 1.00 9.56 C ATOM 59 CG2 VAL E 8 56.461 49.451 22.516 1.00 8.91 C ATOM 60 N SER E 9 60.192 47.198 23.806 1.00 9.04 N ATOM 61 CA SER E 9 61.491 46.881 24.385 1.00 10.70 C ATOM 62 C SER E 9 62.413 46.213 23.394 1.00 9.55 C ATOM 63 O SER E 9 63.629 46.474 23.369 1.00 10.96 O ATOM 64 CB SER E 9 61.342 46.002 25.631 1.00 11.06 C ATOM 65 OG SER E 9 60.562 46.709 26.593 1.00 13.62 O ATOM 66 N GLN E 10 61.833 45.343 22.570 1.00 9.86 N ATOM 67 CA GLN E 10 62.648 44.536 21.669 1.00 10.28 C ATOM 68 C GLN E 10 63.375 45.393 20.618 1.00 11.58 C ATOM 69 O GLN E 10 64.505 45.031 20.198 1.00 11.10 O ATOM 70 CB GLN E 10 61.749 43.493 20.982 1.00 9.76 C ATOM 71 CG GLN E 10 62.490 42.522 20.071 1.00 12.69 C ATOM 72 CD GLN E 10 61.615 41.313 19.742 1.00 15.49 C ATOM 73 OE1 GLN E 10 60.743 40.978 20.523 1.00 20.39 O ATOM 74 NE2 GLN E 10 61.854 40.666 18.604 1.00 13.74 N ATOM 75 N ILE E 11 62.760 46.499 20.191 1.00 9.97 N ATOM 76 CA ILE E 11 63.427 47.379 19.196 1.00 10.42 C ATOM 77 C ILE E 11 64.329 48.426 19.883 1.00 11.60 C ATOM 78 O ILE E 11 64.922 49.274 19.183 1.00 10.63 O ATOM 79 CB ILE E 11 62.406 48.084 18.279 1.00 9.21 C ATOM 80 CG1 ILE E 11 61.542 49.124 19.081 1.00 7.98 C ATOM 81 CG2 ILE E 11 61.584 47.000 17.506 1.00 10.14 C ATOM 82 CD1 ILE E 11 60.793 50.128 18.155 1.00 8.66 C ATOM 83 N LYS E 12 64.420 48.349 21.213 1.00 10.64 N ATOM 84 CA LYS E 12 65.315 49.205 22.035 1.00 10.69 C ATOM 85 C LYS E 12 64.805 50.643 22.115 1.00 10.54 C ATOM 86 O LYS E 12 65.598 51.603 22.308 1.00 10.66 O ATOM 87 CB LYS E 12 66.783 49.092 21.591 1.00 11.60 C ATOM 88 CG LYS E 12 67.291 47.607 21.659 1.00 15.16 C ATOM 89 CD LYS E 12 68.797 47.525 21.476 1.00 20.87 C ATOM 90 CE LYS E 12 69.284 46.060 21.401 1.00 23.99 C ATOM 91 NZ LYS E 12 68.873 45.257 22.601 1.00 31.62 N ATOM 92 N ALA E 13 63.495 50.820 21.982 1.00 10.39 N ATOM 93 CA ALA E 13 62.916 52.150 22.212 1.00 10.50 C ATOM 94 C ALA E 13 63.216 52.736 23.603 1.00 10.88 C ATOM 95 O ALA E 13 63.464 53.958 23.697 1.00 10.80 O ATOM 96 CB ALA E 13 61.377 52.187 21.895 1.00 9.51 C ATOM 97 N PRO E 14 63.214 51.934 24.681 1.00 10.40 N ATOM 98 CA PRO E 14 63.477 52.522 26.015 1.00 10.83 C ATOM 99 C PRO E 14 64.850 53.184 26.079 1.00 10.81 C ATOM 100 O PRO E 14 64.995 54.124 26.864 1.00 10.59 O ATOM 101 CB PRO E 14 63.421 51.305 26.948 1.00 11.45 C ATOM 102 CG PRO E 14 62.295 50.394 26.217 1.00 11.67 C ATOM 103 CD PRO E 14 62.784 50.488 24.761 1.00 10.02 C ATOM 104 N ALA E 15 65.839 52.748 25.281 1.00 10.82 N ATOM 105 CA ALA E 15 67.152 53.445 25.280 1.00 11.63 C ATOM 106 C ALA E 15 67.005 54.886 24.815 1.00 12.22 C ATOM 107 O ALA E 15 67.666 55.784 25.360 1.00 12.84 O ATOM 108 CB ALA E 15 68.182 52.712 24.410 1.00 12.03 C ATOM 109 N LEU E 16 66.155 55.127 23.826 1.00 9.06 N ATOM 110 CA LEU E 16 65.912 56.503 23.390 1.00 10.34 C ATOM 111 C LEU E 16 65.147 57.271 24.464 1.00 9.90 C ATOM 112 O LEU E 16 65.464 58.428 24.738 1.00 9.59 O ATOM 113 CB LEU E 16 65.102 56.545 22.082 1.00 10.09 C ATOM 114 CG LEU E 16 65.880 56.596 20.759 1.00 11.81 C ATOM 115 CD1 LEU E 16 66.559 57.972 20.569 1.00 11.71 C ATOM 116 CD2 LEU E 16 66.953 55.464 20.801 1.00 12.57 C ATOM 117 N HIS E 17 64.117 56.645 25.067 1.00 9.84 N ATOM 118 CA HIS E 17 63.348 57.293 26.098 1.00 9.84 C ATOM 119 C HIS E 17 64.268 57.725 27.254 1.00 9.58 C ATOM 120 O HIS E 17 64.127 58.865 27.749 1.00 11.41 O ATOM 121 CB HIS E 17 62.259 56.350 26.657 1.00 8.43 C ATOM 122 CG HIS E 17 61.274 55.900 25.602 1.00 10.37 C ATOM 123 ND1 HIS E 17 60.357 54.905 25.843 1.00 11.25 N ATOM 124 CD2 HIS E 17 61.052 56.333 24.337 1.00 8.71 C ATOM 125 CE1 HIS E 17 59.641 54.704 24.744 1.00 12.88 C ATOM 126 NE2 HIS E 17 60.037 55.570 23.815 1.00 10.11 N ATOM 127 N SER E 18 65.227 56.870 27.628 1.00 10.00 N ATOM 128 CA SER E 18 66.093 57.240 28.758 1.00 9.52 C ATOM 129 C SER E 18 67.050 58.372 28.396 1.00 9.84 C ATOM 130 O SER E 18 67.486 59.060 29.286 1.00 9.04 O ATOM 131 CB SER E 18 66.911 56.067 29.292 1.00 10.01 C ATOM 132 OG ASER E 18 66.120 54.960 29.612 0.50 9.67 O ATOM 133 OG BSER E 18 67.787 55.585 28.329 0.50 9.57 O ATOM 134 N GLN E 19 67.407 58.495 27.114 1.00 10.31 N ATOM 135 CA GLN E 19 68.193 59.670 26.637 1.00 9.06 C ATOM 136 C GLN E 19 67.365 60.951 26.617 1.00 9.75 C ATOM 137 O GLN E 19 67.934 62.037 26.498 1.00 9.88 O ATOM 138 CB GLN E 19 68.699 59.422 25.201 1.00 9.56 C ATOM 139 CG GLN E 19 69.748 58.261 25.081 1.00 11.65 C ATOM 140 CD GLN E 19 70.030 57.971 23.595 1.00 15.48 C ATOM 141 OE1 GLN E 19 70.138 58.896 22.829 1.00 19.97 O ATOM 142 NE2 GLN E 19 70.058 56.688 23.184 1.00 17.60 N ATOM 143 N GLY E 20 66.030 60.833 26.748 1.00 9.67 N ATOM 144 CA GLY E 20 65.130 61.987 26.745 1.00 9.96 C ATOM 145 C GLY E 20 64.343 62.222 25.470 1.00 10.73 C ATOM 146 O GLY E 20 63.705 63.295 25.305 1.00 11.99 O ATOM 147 N TYR E 21 64.355 61.227 24.567 1.00 9.34 N ATOM 148 CA TYR E 21 63.755 61.418 23.251 1.00 9.60 C ATOM 149 C TYR E 21 62.571 60.469 23.089 1.00 10.31 C ATOM 150 O TYR E 21 62.696 59.255 23.332 1.00 11.60 O ATOM 151 CB TYR E 21 64.811 61.176 22.136 1.00 9.91 C ATOM 152 CG TYR E 21 65.872 62.254 22.211 1.00 9.56 C ATOM 153 CD1 TYR E 21 65.542 63.566 21.896 1.00 10.83 C ATOM 154 CD2 TYR E 21 67.159 61.955 22.655 1.00 12.99 C ATOM 155 CE1 TYR E 21 66.498 64.594 21.987 1.00 13.96 C ATOM 156 CE2 TYR E 21 68.137 62.985 22.768 1.00 11.72 C ATOM 157 CZ TYR E 21 67.772 64.283 22.441 1.00 13.39 C ATOM 158 OH TYR E 21 68.681 65.308 22.527 1.00 14.70 O ATOM 159 N THR E 22 61.415 61.048 22.729 1.00 9.50 N ATOM 160 CA THR E 22 60.115 60.330 22.748 1.00 9.31 C ATOM 161 C THR E 22 59.282 60.729 21.516 1.00 9.70 C ATOM 162 O THR E 22 58.084 60.441 21.464 1.00 9.87 O ATOM 163 CB THR E 22 59.301 60.680 24.002 1.00 10.55 C ATOM 164 OG1 THR E 22 59.245 62.122 24.143 1.00 11.32 O ATOM 165 CG2 THR E 22 59.977 60.162 25.286 1.00 11.32 C ATOM 166 N GLY E 23 59.906 61.373 20.529 1.00 9.28 N ATOM 167 CA GLY E 23 59.172 61.731 19.320 1.00 9.27 C ATOM 168 C GLY E 23 58.497 63.086 19.407 1.00 10.32 C ATOM 169 O GLY E 23 57.663 63.414 18.556 1.00 10.96 O ATOM 170 N SER E 24 58.883 63.903 20.393 1.00 10.18 N ATOM 171 CA SER E 24 58.242 65.227 20.519 1.00 11.62 C ATOM 172 C SER E 24 58.333 66.068 19.245 1.00 12.65 C ATOM 173 O SER E 24 59.402 66.161 18.634 1.00 12.89 O ATOM 174 CB SER E 24 58.905 66.039 21.637 1.00 12.18 C ATOM 175 OG ASER E 24 58.792 65.421 22.889 0.67 12.14 O ATOM 176 OG BSER E 24 58.034 67.102 21.998 0.33 10.91 O ATOM 177 N ASN E 25 57.211 66.671 18.866 1.00 14.70 N ATOM 178 CA ASN E 25 57.106 67.595 17.731 1.00 16.85 C ATOM 179 C ASN E 25 57.263 66.895 16.385 1.00 16.02 C ATOM 180 O ASN E 25 57.381 67.567 15.361 1.00 19.45 O ATOM 181 CB ASN E 25 58.144 68.717 17.828 1.00 18.29 C ATOM 182 CG ASN E 25 57.954 69.553 19.066 1.00 25.08 C ATOM 183 OD1 ASN E 25 56.837 69.934 19.393 1.00 32.42 O ATOM 184 ND2 ASN E 25 59.046 69.801 19.793 1.00 32.81 N ATOM 185 N VAL E 26 57.264 65.563 16.369 1.00 12.21 N ATOM 186 CA VAL E 26 57.327 64.879 15.088 1.00 10.81 C ATOM 187 C VAL E 26 55.898 64.502 14.707 1.00 10.02 C ATOM 188 O VAL E 26 55.161 63.929 15.515 1.00 10.92 O ATOM 189 CB VAL E 26 58.165 63.587 15.174 1.00 9.52 C ATOM 190 CG1 VAL E 26 58.202 62.853 13.795 1.00 11.43 C ATOM 191 CG2 VAL E 26 59.593 63.949 15.640 1.00 11.90 C ATOM 192 N LYS E 27 55.519 64.795 13.473 1.00 10.71 N ATOM 193 CA LYS E 27 54.123 64.607 13.051 1.00 10.91 C ATOM 194 C LYS E 27 54.038 63.278 12.315 1.00 10.97 C ATOM 195 O LYS E 27 54.711 63.079 11.294 1.00 11.34 O ATOM 196 CB LYS E 27 53.728 65.754 12.085 1.00 10.09 C ATOM 197 CG LYS E 27 53.685 67.139 12.815 1.00 11.86 C ATOM 198 CD LYS E 27 53.107 68.207 11.846 1.00 18.61 C ATOM 199 CE LYS E 27 52.957 69.534 12.546 1.00 24.61 C ATOM 200 NZ LYS E 27 54.341 70.080 12.620 1.00 30.17 N ATOM 201 N VAL E 28 53.219 62.358 12.837 1.00 9.59 N ATOM 202 CA VAL E 28 53.096 61.012 12.240 1.00 10.05 C ATOM 203 C VAL E 28 51.629 60.804 11.817 1.00 10.61 C ATOM 204 O VAL E 28 50.710 60.912 12.646 1.00 11.47 O ATOM 205 CB VAL E 28 53.468 59.929 13.272 1.00 10.07 C ATOM 206 CG1 VAL E 28 53.355 58.505 12.654 1.00 10.49 C ATOM 207 CG2 VAL E 28 54.885 60.187 13.782 1.00 10.33 C ATOM 208 N ALA E 29 51.434 60.556 10.526 1.00 10.69 N ATOM 209 CA ALA E 29 50.092 60.246 10.021 1.00 10.59 C ATOM 210 C ALA E 29 49.897 58.737 10.069 1.00 11.25 C ATOM 211 O ALA E 29 50.638 58.006 9.411 1.00 11.28 O ATOM 212 CB ALA E 29 49.948 60.736 8.550 1.00 11.09 C ATOM 213 N VAL E 30 48.877 58.279 10.772 1.00 11.81 N ATOM 214 CA VAL E 30 48.458 56.870 10.697 1.00 11.52 C ATOM 215 C VAL E 30 47.359 56.828 9.633 1.00 11.63 C ATOM 216 O VAL E 30 46.237 57.283 9.863 1.00 12.58 O ATOM 217 CB VAL E 30 47.990 56.402 12.090 1.00 11.79 C ATOM 218 CG1 VAL E 30 47.454 54.991 12.040 1.00 11.22 C ATOM 219 CG2 VAL E 30 49.219 56.438 13.073 1.00 12.39 C ATOM 220 N ILE E 31 47.723 56.296 8.459 1.00 12.44 N ATOM 221 CA ILE E 31 46.802 56.298 7.309 1.00 11.74 C ATOM 222 C ILE E 31 46.140 54.928 7.397 1.00 11.21 C ATOM 223 O ILE E 31 46.804 53.905 7.173 1.00 11.65 O ATOM 224 CB ILE E 31 47.605 56.501 5.994 1.00 12.23 C ATOM 225 CG1 ILE E 31 48.202 57.919 5.971 1.00 13.51 C ATOM 226 CG2 ILE E 31 46.669 56.280 4.762 1.00 12.45 C ATOM 227 CD1 ILE E 31 48.888 58.345 4.594 1.00 12.27 C ATOM 228 N ASP E 32 44.872 54.930 7.820 1.00 10.80 N ATOM 229 CA ASP E 32 44.289 53.706 8.359 1.00 11.41 C ATOM 230 C ASP E 32 42.774 53.864 8.525 1.00 12.39 C ATOM 231 O ASP E 32 42.143 54.655 7.809 1.00 11.89 O ATOM 232 CB ASP E 32 44.967 53.376 9.718 1.00 11.79 C ATOM 233 CG ASP E 32 45.090 51.896 9.951 1.00 13.27 C ATOM 234 OD1 ASP E 32 44.006 51.275 10.117 1.00 12.72 O ATOM 235 OD2 ASP E 32 46.210 51.314 10.009 1.00 12.87 O ATOM 236 N SER E 33 42.202 53.145 9.479 1.00 12.51 N ATOM 237 CA SER E 33 40.752 53.167 9.665 1.00 12.56 C ATOM 238 C SER E 33 40.239 54.236 10.594 1.00 13.05 C ATOM 239 O SER E 33 39.097 54.127 11.082 1.00 13.26 O ATOM 240 CB SER E 33 40.293 51.762 10.160 1.00 13.01 C ATOM 241 OG SER E 33 40.644 51.485 11.545 1.00 13.32 O ATOM 242 N GLY E 34 41.074 55.254 10.890 1.00 11.94 N ATOM 243 CA GLY E 34 40.676 56.246 11.880 1.00 12.42 C ATOM 244 C GLY E 34 41.470 55.976 13.172 1.00 13.11 C ATOM 245 O GLY E 34 42.224 54.990 13.257 1.00 13.57 O ATOM 246 N ILE E 35 41.294 56.841 14.161 1.00 12.60 N ATOM 247 CA ILE E 35 41.858 56.597 15.485 1.00 13.26 C ATOM 248 C ILE E 35 40.850 57.044 16.521 1.00 13.63 C ATOM 249 O ILE E 35 40.359 58.171 16.460 1.00 14.23 O ATOM 250 CB ILE E 35 43.185 57.422 15.740 1.00 12.33 C ATOM 251 CG1 ILE E 35 44.276 57.192 14.661 1.00 13.79 C ATOM 252 CG2 ILE E 35 43.718 57.066 17.160 1.00 12.32 C ATOM 253 CD1 ILE E 35 45.520 58.123 14.820 1.00 10.88 C ATOM 254 N ASP E 36 40.555 56.207 17.504 1.00 13.62 N ATOM 255 CA ASP E 36 39.618 56.601 18.539 1.00 13.58 C ATOM 256 C ASP E 36 40.248 57.644 19.479 1.00 15.51 C ATOM 257 O ASP E 36 40.947 57.278 20.426 1.00 13.66 O ATOM 258 CB ASP E 36 39.220 55.396 19.370 1.00 15.08 C ATOM 259 CG ASP E 36 38.187 55.754 20.441 1.00 17.86 C ATOM 260 OD1 ASP E 36 37.768 56.944 20.576 1.00 18.93 O ATOM 261 OD2 ASP E 36 37.748 54.880 21.188 1.00 21.99 O ATOM 262 N SER E 37 39.967 58.918 19.229 1.00 16.60 N ATOM 263 CA SER E 37 40.619 60.013 19.981 1.00 17.58 C ATOM 264 C SER E 37 40.153 60.082 21.420 1.00 17.18 C ATOM 265 O SER E 37 40.839 60.735 22.236 1.00 20.17 O ATOM 266 CB SER E 37 40.380 61.377 19.310 1.00 18.30 C ATOM 267 OG SER E 37 38.984 61.644 19.236 1.00 20.95 O ATOM 268 N SER E 38 39.048 59.406 21.751 1.00 15.63 N ATOM 269 CA SER E 38 38.563 59.370 23.134 1.00 15.85 C ATOM 270 C SER E 38 39.369 58.447 24.033 1.00 15.19 C ATOM 271 O SER E 38 39.146 58.411 25.242 1.00 14.81 O ATOM 272 CB SER E 38 37.070 59.005 23.215 1.00 15.18 C ATOM 273 OG ASER E 38 36.867 57.632 22.955 0.50 16.30 O ATOM 274 OG BSER E 38 36.296 60.113 22.811 0.50 17.30 O ATOM 275 N HIS E 39 40.261 57.632 23.444 1.00 12.83 N ATOM 276 CA HIS E 39 41.018 56.698 24.286 1.00 12.79 C ATOM 277 C HIS E 39 41.949 57.499 25.231 1.00 11.98 C ATOM 278 O HIS E 39 42.679 58.362 24.747 1.00 13.28 O ATOM 279 CB HIS E 39 41.881 55.774 23.412 1.00 11.66 C ATOM 280 CG HIS E 39 42.282 54.521 24.115 1.00 13.09 C ATOM 281 ND1 HIS E 39 43.143 54.532 25.193 1.00 10.29 N ATOM 282 CD2 HIS E 39 41.942 53.220 23.910 1.00 9.66 C ATOM 283 CE1 HIS E 39 43.306 53.292 25.624 1.00 10.16 C ATOM 284 NE2 HIS E 39 42.611 52.475 24.847 1.00 10.65 N ATOM 285 N PRO E 40 41.922 57.209 26.529 1.00 12.42 N ATOM 286 CA PRO E 40 42.742 57.975 27.483 1.00 12.62 C ATOM 287 C PRO E 40 44.220 57.706 27.339 1.00 13.02 C ATOM 288 O PRO E 40 44.995 58.520 27.853 1.00 12.28 O ATOM 289 CB PRO E 40 42.270 57.504 28.852 1.00 12.59 C ATOM 290 CG PRO E 40 41.801 56.106 28.619 1.00 13.43 C ATOM 291 CD PRO E 40 41.078 56.202 27.230 1.00 12.95 C ATOM 292 N ASP E 41 44.599 56.676 26.607 1.00 11.12 N ATOM 293 CA ASP E 41 46.053 56.474 26.369 1.00 11.42 C ATOM 294 C ASP E 41 46.515 56.940 24.989 1.00 9.94 C ATOM 295 O ASP E 41 47.614 56.529 24.542 1.00 10.37 O ATOM 296 CB ASP E 41 46.403 54.987 26.577 1.00 10.69 C ATOM 297 CG ASP E 41 47.805 54.784 27.180 1.00 11.47 C ATOM 298 OD1 ASP E 41 48.294 55.712 27.845 1.00 11.21 O ATOM 299 OD2 ASP E 41 48.425 53.720 27.048 1.00 14.43 O ATOM 300 N LEU E 42 45.712 57.769 24.298 1.00 10.84 N ATOM 301 CA LEU E 42 46.132 58.337 23.011 1.00 11.51 C ATOM 302 C LEU E 42 45.851 59.811 23.034 1.00 12.79 C ATOM 303 O LEU E 42 44.854 60.273 23.662 1.00 12.60 O ATOM 304 CB LEU E 42 45.318 57.724 21.837 1.00 10.62 C ATOM 305 CG LEU E 42 45.584 56.235 21.601 1.00 9.28 C ATOM 306 CD1 LEU E 42 44.645 55.710 20.462 1.00 10.29 C ATOM 307 CD2 LEU E 42 47.055 55.906 21.232 1.00 11.37 C ATOM 308 N LYS E 43 46.694 60.562 22.362 1.00 11.99 N ATOM 309 CA LYS E 43 46.375 61.981 22.139 1.00 13.81 C ATOM 310 C LYS E 43 46.443 62.207 20.655 1.00 13.74 C ATOM 311 O LYS E 43 47.509 62.118 20.056 1.00 15.24 O ATOM 312 CB LYS E 43 47.402 62.883 22.854 1.00 14.42 C ATOM 313 CG LYS E 43 47.146 64.407 22.613 1.00 17.92 C ATOM 314 CD LYS E 43 48.282 65.218 23.281 1.00 26.05 C ATOM 315 CE LYS E 43 47.909 66.685 23.501 1.00 32.38 C ATOM 316 NZ LYS E 43 49.110 67.434 24.022 1.00 35.81 N ATOM 317 N VAL E 44 45.321 62.510 20.035 1.00 13.07 N ATOM 318 CA VAL E 44 45.330 62.723 18.599 1.00 13.43 C ATOM 319 C VAL E 44 45.375 64.233 18.296 1.00 14.92 C ATOM 320 O VAL E 44 44.523 64.983 18.795 1.00 15.76 O ATOM 321 CB VAL E 44 44.066 62.085 17.946 1.00 13.75 C ATOM 322 CG1 VAL E 44 44.045 62.341 16.432 1.00 15.67 C ATOM 323 CG2 VAL E 44 44.012 60.585 18.248 1.00 14.36 C ATOM 324 N ALA E 45 46.342 64.652 17.482 1.00 13.96 N ATOM 325 CA ALA E 45 46.629 66.071 17.276 1.00 14.95 C ATOM 326 C ALA E 45 45.781 66.648 16.140 1.00 16.33 C ATOM 327 O ALA E 45 45.650 67.873 16.031 1.00 17.50 O ATOM 328 CB ALA E 45 48.127 66.272 16.922 1.00 14.58 C ATOM 329 N GLY E 46 45.282 65.793 15.250 1.00 15.23 N ATOM 330 CA GLY E 46 44.575 66.292 14.067 1.00 15.19 C ATOM 331 C GLY E 46 44.295 65.145 13.121 1.00 15.22 C ATOM 332 O GLY E 46 44.513 63.969 13.460 1.00 14.99 O ATOM 333 N GLY E 47 43.817 65.473 11.929 1.00 15.48 N ATOM 334 CA GLY E 47 43.520 64.425 10.967 1.00 15.52 C ATOM 335 C GLY E 47 42.419 64.835 10.001 1.00 16.25 C ATOM 336 O GLY E 47 41.957 65.985 10.011 1.00 17.38 O ATOM 337 N ALA E 48 42.032 63.887 9.169 1.00 15.98 N ATOM 338 CA ALA E 48 41.026 64.121 8.136 1.00 15.86 C ATOM 339 C ALA E 48 40.541 62.782 7.677 1.00 16.41 C ATOM 340 O ALA E 48 41.299 61.806 7.714 1.00 14.95 O ATOM 341 CB ALA E 48 41.672 64.859 6.950 1.00 16.24 C ATOM 342 N SER E 49 39.280 62.716 7.212 1.00 15.89 N ATOM 343 CA SER E 49 38.807 61.483 6.594 1.00 17.45 C ATOM 344 C SER E 49 38.630 61.609 5.084 1.00 18.58 C ATOM 345 O SER E 49 38.048 62.606 4.603 1.00 19.52 O ATOM 346 CB SER E 49 37.450 61.063 7.182 1.00 17.42 C ATOM 347 OG SER E 49 37.023 59.881 6.476 1.00 18.90 O ATOM 348 N MET E 50 39.095 60.592 4.368 1.00 17.68 N ATOM 349 CA MET E 50 38.916 60.454 2.914 1.00 18.24 C ATOM 350 C MET E 50 37.854 59.396 2.569 1.00 19.65 C ATOM 351 O MET E 50 37.693 59.052 1.394 1.00 21.00 O ATOM 352 CB MET E 50 40.229 60.009 2.277 1.00 17.88 C ATOM 353 CG MET E 50 41.424 60.821 2.693 1.00 18.70 C ATOM 354 SD MET E 50 41.210 62.566 2.310 1.00 22.55 S ATOM 355 CE MET E 50 42.045 63.372 3.705 1.00 24.22 C ATOM 356 N VAL E 51 37.200 58.850 3.578 1.00 19.23 N ATOM 357 CA VAL E 51 36.146 57.844 3.376 1.00 21.42 C ATOM 358 C VAL E 51 34.790 58.563 3.227 1.00 22.85 C ATOM 359 O VAL E 51 34.285 59.139 4.188 1.00 23.28 O ATOM 360 CB VAL E 51 36.099 56.834 4.556 1.00 21.88 C ATOM 361 CG1 VAL E 51 34.913 55.828 4.390 1.00 21.61 C ATOM 362 CG2 VAL E 51 37.446 56.087 4.655 1.00 18.00 C ATOM 363 N PRO E 52 34.203 58.520 2.021 1.00 24.69 N ATOM 364 CA PRO E 52 32.985 59.309 1.733 1.00 25.65 C ATOM 365 C PRO E 52 31.866 59.077 2.746 1.00 25.80 C ATOM 366 O PRO E 52 31.249 60.045 3.190 1.00 27.13 O ATOM 367 CB PRO E 52 32.584 58.835 0.321 1.00 26.07 C ATOM 368 CG PRO E 52 33.882 58.361 -0.312 1.00 26.35 C ATOM 369 CD PRO E 52 34.668 57.758 0.852 1.00 24.03 C ATOM 370 N SER E 53 31.605 57.835 3.150 1.00 26.52 N ATOM 371 CA SER E 53 30.503 57.590 4.073 1.00 27.80 C ATOM 372 C SER E 53 30.856 57.619 5.585 1.00 27.60 C ATOM 373 O SER E 53 29.981 57.461 6.450 1.00 26.80 O ATOM 374 CB SER E 53 29.801 56.282 3.705 1.00 28.91 C ATOM 375 OG SER E 53 30.612 55.204 4.108 1.00 33.46 O ATOM 376 N GLU E 54 32.138 57.838 5.909 1.00 26.50 N ATOM 377 CA GLU E 54 32.555 57.915 7.314 1.00 25.56 C ATOM 378 C GLU E 54 33.440 59.141 7.485 1.00 25.04 C ATOM 379 O GLU E 54 34.668 59.044 7.359 1.00 26.10 O ATOM 380 CB GLU E 54 33.343 56.677 7.710 1.00 25.32 C ATOM 381 CG GLU E 54 32.555 55.394 7.765 1.00 26.98 C ATOM 382 CD GLU E 54 33.397 54.256 8.322 1.00 29.96 C ATOM 383 OE1 GLU E 54 34.329 54.529 9.147 1.00 31.09 O ATOM 384 OE2 GLU E 54 33.121 53.104 7.952 1.00 28.64 O ATOM 385 N THR E 55 32.819 60.284 7.748 1.00 23.50 N ATOM 386 CA THR E 55 33.511 61.563 7.633 1.00 23.63 C ATOM 387 C THR E 55 34.304 61.962 8.867 1.00 22.00 C ATOM 388 O THR E 55 35.002 62.983 8.821 1.00 23.09 O ATOM 389 CB THR E 55 32.519 62.714 7.323 1.00 23.63 C ATOM 390 OG1 THR E 55 31.589 62.809 8.401 1.00 26.18 O ATOM 391 CG2 THR E 55 31.652 62.383 6.092 1.00 26.19 C ATOM 392 N ASN E 56 34.191 61.189 9.959 1.00 21.65 N ATOM 393 CA ASN E 56 34.885 61.521 11.201 1.00 20.11 C ATOM 394 C ASN E 56 36.152 60.660 11.344 1.00 18.50 C ATOM 395 O ASN E 56 36.029 59.463 11.620 1.00 18.61 O ATOM 396 CB ASN E 56 33.974 61.283 12.418 1.00 20.95 C ATOM 397 CG ASN E 56 34.592 61.804 13.707 1.00 22.05 C ATOM 398 OD1 ASN E 56 35.757 62.241 13.728 1.00 20.08 O ATOM 399 ND2 ASN E 56 33.834 61.764 14.784 1.00 24.82 N ATOM 400 N PRO E 57 37.346 61.242 11.185 1.00 17.46 N ATOM 401 CA PRO E 57 38.587 60.448 11.322 1.00 16.93 C ATOM 402 C PRO E 57 38.873 60.019 12.766 1.00 16.47 C ATOM 403 O PRO E 57 39.736 59.144 12.984 1.00 14.39 O ATOM 404 CB PRO E 57 39.674 61.401 10.822 1.00 16.95 C ATOM 405 CG PRO E 57 39.127 62.794 11.144 1.00 16.70 C ATOM 406 CD PRO E 57 37.638 62.660 10.908 1.00 16.78 C ATOM 407 N PHE E 58 38.166 60.619 13.726 1.00 16.12 N ATOM 408 CA PHE E 58 38.382 60.351 15.144 1.00 16.71 C ATOM 409 C PHE E 58 37.448 59.295 15.714 1.00 16.40 C ATOM 410 O PHE E 58 37.385 59.087 16.921 1.00 16.69 O ATOM 411 CB PHE E 58 38.299 61.672 15.897 1.00 16.02 C ATOM 412 CG PHE E 58 39.123 62.772 15.253 1.00 18.31 C ATOM 413 CD1 PHE E 58 40.496 62.598 15.023 1.00 16.45 C ATOM 414 CD2 PHE E 58 38.528 63.948 14.834 1.00 19.89 C ATOM 415 CE1 PHE E 58 41.263 63.593 14.428 1.00 16.26 C ATOM 416 CE2 PHE E 58 39.269 64.959 14.220 1.00 18.87 C ATOM 417 CZ PHE E 58 40.659 64.793 14.015 1.00 19.66 C ATOM 418 N GLN E 59 36.707 58.645 14.817 1.00 15.99 N ATOM 419 CA GLN E 59 35.871 57.520 15.143 1.00 17.24 C ATOM 420 C GLN E 59 36.427 56.347 14.365 1.00 17.31 C ATOM 421 O GLN E 59 36.526 56.408 13.119 1.00 18.23 O ATOM 422 CB GLN E 59 34.414 57.807 14.728 1.00 18.19 C ATOM 423 CG GLN E 59 33.480 56.614 15.015 1.00 22.18 C ATOM 424 CD AGLN E 59 32.039 56.951 14.770 0.50 25.30 C ATOM 425 CD BGLN E 59 33.182 56.436 16.496 0.50 25.35 C ATOM 426 OE1AGLN E 59 31.596 58.061 15.067 0.50 29.20 O ATOM 427 OE1BGLN E 59 33.254 57.393 17.269 0.50 29.65 O ATOM 428 NE2AGLN E 59 31.291 55.995 14.239 0.50 27.21 N ATOM 429 NE2BGLN E 59 32.853 55.212 16.896 0.50 26.91 N ATOM 430 N ASP E 60 36.829 55.300 15.094 1.00 15.02 N ATOM 431 CA ASP E 60 37.408 54.155 14.446 1.00 15.44 C ATOM 432 C ASP E 60 36.457 52.983 14.627 1.00 15.80 C ATOM 433 O ASP E 60 36.418 52.373 15.682 1.00 16.64 O ATOM 434 CB ASP E 60 38.777 53.820 15.101 1.00 13.97 C ATOM 435 CG ASP E 60 39.362 52.510 14.577 1.00 16.60 C ATOM 436 OD1 ASP E 60 38.842 51.916 13.563 1.00 15.23 O ATOM 437 OD2 ASP E 60 40.390 52.018 15.105 1.00 14.19 O ATOM 438 N ASN E 61 35.684 52.693 13.572 1.00 17.38 N ATOM 439 CA ASN E 61 34.666 51.647 13.616 1.00 18.73 C ATOM 440 C ASN E 61 35.189 50.280 13.277 1.00 18.75 C ATOM 441 O ASN E 61 34.417 49.323 13.198 1.00 20.62 O ATOM 442 CB ASN E 61 33.532 52.021 12.649 1.00 20.08 C ATOM 443 CG ASN E 61 32.839 53.268 13.064 1.00 22.71 C ATOM 444 OD1 ASN E 61 32.351 53.362 14.195 1.00 27.21 O ATOM 445 ND2 ASN E 61 32.822 54.259 12.180 1.00 26.35 N ATOM 446 N ASN E 62 36.491 50.179 13.034 1.00 15.11 N ATOM 447 CA ASN E 62 37.089 48.885 12.755 1.00 14.50 C ATOM 448 C ASN E 62 37.885 48.359 13.963 1.00 14.17 C ATOM 449 O ASN E 62 37.712 47.200 14.404 1.00 13.87 O ATOM 450 CB ASN E 62 37.989 49.046 11.514 1.00 13.87 C ATOM 451 CG ASN E 62 38.773 47.785 11.199 1.00 14.58 C ATOM 452 OD1 ASN E 62 39.698 47.431 11.911 1.00 15.33 O ATOM 453 ND2 ASN E 62 38.380 47.073 10.127 1.00 18.53 N ATOM 454 N SER E 63 38.739 49.248 14.507 1.00 13.13 N ATOM 455 CA SER E 63 39.678 48.968 15.647 1.00 12.49 C ATOM 456 C SER E 63 41.152 48.958 15.248 1.00 11.75 C ATOM 457 O SER E 63 42.039 49.269 16.074 1.00 12.59 O ATOM 458 CB SER E 63 39.357 47.660 16.407 1.00 12.82 C ATOM 459 OG SER E 63 39.925 46.525 15.762 1.00 15.88 O ATOM 460 N HIS E 64 41.394 48.669 13.982 1.00 11.55 N ATOM 461 CA HIS E 64 42.745 48.489 13.475 1.00 11.14 C ATOM 462 C HIS E 64 43.577 49.784 13.583 1.00 10.57 C ATOM 463 O HIS E 64 44.722 49.708 14.084 1.00 10.66 O ATOM 464 CB HIS E 64 42.657 47.976 12.045 1.00 11.61 C ATOM 465 CG HIS E 64 43.965 47.725 11.383 1.00 10.90 C ATOM 466 ND1 HIS E 64 44.634 48.704 10.684 1.00 11.32 N ATOM 467 CD2 HIS E 64 44.713 46.599 11.263 1.00 11.42 C ATOM 468 CE1 HIS E 64 45.732 48.188 10.155 1.00 10.31 C ATOM 469 NE2 HIS E 64 45.798 46.914 10.482 1.00 12.38 N ATOM 470 N GLY E 65 43.057 50.923 13.125 1.00 10.46 N ATOM 471 CA GLY E 65 43.828 52.176 13.161 1.00 10.77 C ATOM 472 C GLY E 65 44.184 52.572 14.597 1.00 11.27 C ATOM 473 O GLY E 65 45.250 53.158 14.851 1.00 11.05 O ATOM 474 N THR E 66 43.275 52.314 15.526 1.00 11.51 N ATOM 475 CA THR E 66 43.521 52.630 16.939 1.00 11.21 C ATOM 476 C THR E 66 44.661 51.758 17.512 1.00 11.56 C ATOM 477 O THR E 66 45.520 52.241 18.266 1.00 10.38 O ATOM 478 CB THR E 66 42.207 52.430 17.718 1.00 11.72 C ATOM 479 OG1 THR E 66 41.265 53.409 17.243 1.00 13.96 O ATOM 480 CG2 THR E 66 42.422 52.777 19.239 1.00 12.79 C ATOM 481 N HIS E 67 44.673 50.485 17.139 1.00 10.55 N ATOM 482 CA HIS E 67 45.718 49.567 17.611 1.00 9.94 C ATOM 483 C HIS E 67 47.086 50.019 17.029 1.00 10.40 C ATOM 484 O HIS E 67 48.103 50.144 17.754 1.00 10.12 O ATOM 485 CB HIS E 67 45.366 48.113 17.203 1.00 9.26 C ATOM 486 CG HIS E 67 46.223 47.099 17.885 1.00 8.75 C ATOM 487 ND1 HIS E 67 47.501 46.820 17.458 1.00 9.14 N ATOM 488 CD2 HIS E 67 46.004 46.327 18.976 1.00 8.40 C ATOM 489 CE1 HIS E 67 48.041 45.920 18.261 1.00 9.01 C ATOM 490 NE2 HIS E 67 47.151 45.592 19.183 1.00 11.05 N ATOM 491 N VAL E 68 47.107 50.251 15.720 1.00 10.04 N ATOM 492 CA VAL E 68 48.318 50.745 15.065 1.00 9.40 C ATOM 493 C VAL E 68 48.797 52.052 15.716 1.00 9.81 C ATOM 494 O VAL E 68 50.009 52.228 15.971 1.00 9.19 O ATOM 495 CB VAL E 68 48.058 50.955 13.532 1.00 10.29 C ATOM 496 CG1 VAL E 68 49.236 51.668 12.839 1.00 9.69 C ATOM 497 CG2 VAL E 68 47.843 49.534 12.847 1.00 9.34 C ATOM 498 N ALA E 69 47.878 52.982 15.953 1.00 10.19 N ATOM 499 CA ALA E 69 48.265 54.275 16.560 1.00 9.73 C ATOM 500 C ALA E 69 48.909 54.080 17.932 1.00 10.55 C ATOM 501 O ALA E 69 49.866 54.806 18.282 1.00 10.32 O ATOM 502 CB ALA E 69 47.024 55.189 16.677 1.00 11.10 C ATOM 503 N GLY E 70 48.372 53.147 18.746 1.00 8.76 N ATOM 504 CA GLY E 70 48.935 52.913 20.073 1.00 8.83 C ATOM 505 C GLY E 70 50.335 52.363 20.029 1.00 9.85 C ATOM 506 O GLY E 70 51.167 52.641 20.903 1.00 9.51 O ATOM 507 N THR E 71 50.656 51.584 19.003 1.00 8.24 N ATOM 508 CA THR E 71 52.056 51.132 18.911 1.00 8.40 C ATOM 509 C THR E 71 52.982 52.310 18.550 1.00 8.99 C ATOM 510 O THR E 71 54.096 52.443 19.119 1.00 8.39 O ATOM 511 CB THR E 71 52.160 50.040 17.858 1.00 8.74 C ATOM 512 OG1 THR E 71 51.389 48.903 18.306 1.00 10.67 O ATOM 513 CG2 THR E 71 53.625 49.573 17.652 1.00 8.31 C ATOM 514 N VAL E 72 52.516 53.191 17.679 1.00 8.69 N ATOM 515 CA VAL E 72 53.325 54.390 17.360 1.00 8.92 C ATOM 516 C VAL E 72 53.502 55.250 18.616 1.00 9.53 C ATOM 517 O VAL E 72 54.622 55.709 18.914 1.00 10.16 O ATOM 518 CB VAL E 72 52.666 55.267 16.290 1.00 9.13 C ATOM 519 CG1 VAL E 72 53.553 56.510 15.949 1.00 9.55 C ATOM 520 CG2 VAL E 72 52.423 54.435 15.021 1.00 8.70 C ATOM 521 N ALA E 73 52.395 55.534 19.297 1.00 9.45 N ATOM 522 CA ALA E 73 52.400 56.705 20.182 1.00 9.04 C ATOM 523 C ALA E 73 51.496 56.612 21.411 1.00 9.27 C ATOM 524 O ALA E 73 51.128 57.647 21.995 1.00 9.57 O ATOM 525 CB ALA E 73 52.098 57.982 19.367 1.00 9.89 C ATOM 526 N ALA E 74 51.202 55.396 21.913 1.00 8.98 N ATOM 527 CA ALA E 74 50.419 55.390 23.177 1.00 8.89 C ATOM 528 C ALA E 74 51.163 56.205 24.263 1.00 9.01 C ATOM 529 O ALA E 74 52.395 56.163 24.384 1.00 9.63 O ATOM 530 CB ALA E 74 50.154 53.967 23.686 1.00 8.74 C ATOM 531 N LEU E 75 50.392 56.916 25.061 1.00 8.88 N ATOM 532 CA LEU E 75 51.015 57.961 25.928 1.00 9.16 C ATOM 533 C LEU E 75 51.817 57.367 27.097 1.00 8.93 C ATOM 534 O LEU E 75 51.517 56.273 27.582 1.00 10.12 O ATOM 535 CB LEU E 75 49.907 58.836 26.542 1.00 8.24 C ATOM 536 CG LEU E 75 49.095 59.658 25.526 1.00 10.08 C ATOM 537 CD1 LEU E 75 47.879 60.275 26.249 1.00 10.40 C ATOM 538 CD2 LEU E 75 49.980 60.766 24.878 1.00 11.47 C ATOM 539 N ASN E 76 52.849 58.127 27.507 1.00 9.94 N ATOM 540 CA ASN E 76 53.657 57.806 28.671 1.00 10.57 C ATOM 541 C ASN E 76 53.007 58.365 29.926 1.00 11.26 C ATOM 542 O ASN E 76 52.983 59.584 30.155 1.00 12.25 O ATOM 543 CB ASN E 76 55.068 58.384 28.471 1.00 10.85 C ATOM 544 CG ASN E 76 56.011 57.960 29.590 1.00 11.90 C ATOM 545 OD1 ASN E 76 55.798 56.929 30.214 1.00 10.94 O ATOM 546 ND2 ASN E 76 57.074 58.770 29.852 1.00 13.10 N ATOM 547 N ASN E 77 52.440 57.463 30.715 1.00 10.09 N ATOM 548 CA ASN E 77 51.638 57.844 31.871 1.00 9.73 C ATOM 549 C ASN E 77 51.557 56.600 32.758 1.00 10.97 C ATOM 550 O ASN E 77 52.431 55.728 32.681 1.00 10.54 O ATOM 551 CB ASN E 77 50.262 58.393 31.431 1.00 10.00 C ATOM 552 CG ASN E 77 49.540 57.434 30.517 1.00 10.71 C ATOM 553 OD1 ASN E 77 49.868 56.258 30.505 1.00 10.69 O ATOM 554 ND2 ASN E 77 48.593 57.952 29.698 1.00 12.04 N ATOM 555 N SER E 78 50.565 56.555 33.645 1.00 10.79 N ATOM 556 CA SER E 78 50.447 55.424 34.569 1.00 11.46 C ATOM 557 C SER E 78 49.344 54.436 34.139 1.00 11.64 C ATOM 558 O SER E 78 48.862 53.611 34.945 1.00 11.24 O ATOM 559 CB SER E 78 50.227 55.932 36.014 1.00 12.82 C ATOM 560 OG SER E 78 48.975 56.617 36.123 1.00 14.64 O ATOM 561 N ILE E 79 48.978 54.464 32.866 1.00 12.40 N ATOM 562 CA ILE E 79 47.958 53.541 32.371 1.00 12.35 C ATOM 563 C ILE E 79 48.342 52.831 31.087 1.00 12.71 C ATOM 564 O ILE E 79 49.197 53.289 30.329 1.00 10.32 O ATOM 565 CB ILE E 79 46.591 54.263 32.144 1.00 12.63 C ATOM 566 CG1 ILE E 79 46.713 55.285 31.039 1.00 13.37 C ATOM 567 CG2 ILE E 79 46.125 54.989 33.426 1.00 13.99 C ATOM 568 CD1 ILE E 79 45.286 55.680 30.451 1.00 14.45 C ATOM 569 N GLY E 80 47.645 51.718 30.848 1.00 11.27 N ATOM 570 CA GLY E 80 47.675 51.120 29.529 1.00 10.69 C ATOM 571 C GLY E 80 49.048 50.659 29.075 1.00 10.68 C ATOM 572 O GLY E 80 49.750 49.949 29.810 1.00 11.59 O ATOM 573 N VAL E 81 49.374 51.045 27.847 1.00 10.54 N ATOM 574 CA VAL E 81 50.640 50.616 27.247 1.00 10.92 C ATOM 575 C VAL E 81 51.525 51.851 27.060 1.00 10.82 C ATOM 576 O VAL E 81 51.162 52.973 27.463 1.00 13.35 O ATOM 577 CB VAL E 81 50.412 49.834 25.913 1.00 10.45 C ATOM 578 CG1 VAL E 81 49.767 48.450 26.211 1.00 11.83 C ATOM 579 CG2 VAL E 81 49.510 50.647 24.902 1.00 9.56 C ATOM 580 N LEU E 82 52.678 51.656 26.456 1.00 11.54 N ATOM 581 CA LEU E 82 53.589 52.766 26.134 1.00 10.70 C ATOM 582 C LEU E 82 53.920 52.637 24.677 1.00 11.25 C ATOM 583 O LEU E 82 54.255 51.530 24.215 1.00 12.45 O ATOM 584 CB LEU E 82 54.882 52.604 26.939 1.00 9.29 C ATOM 585 CG LEU E 82 56.014 53.629 26.671 1.00 11.38 C ATOM 586 CD1 LEU E 82 55.514 55.014 27.100 1.00 10.36 C ATOM 587 CD2 LEU E 82 57.283 53.227 27.509 1.00 10.93 C ATOM 588 N GLY E 83 53.801 53.738 23.947 1.00 10.29 N ATOM 589 CA GLY E 83 54.109 53.757 22.525 1.00 10.07 C ATOM 590 C GLY E 83 55.595 53.805 22.260 1.00 10.16 C ATOM 591 O GLY E 83 56.364 54.139 23.140 1.00 9.75 O ATOM 592 N VAL E 84 55.995 53.481 21.046 1.00 8.85 N ATOM 593 CA VAL E 84 57.409 53.654 20.670 1.00 8.49 C ATOM 594 C VAL E 84 57.821 55.126 20.789 1.00 9.06 C ATOM 595 O VAL E 84 58.922 55.399 21.273 1.00 9.92 O ATOM 596 CB VAL E 84 57.678 53.144 19.225 1.00 9.07 C ATOM 597 CG1 VAL E 84 59.106 53.425 18.785 1.00 8.19 C ATOM 598 CG2 VAL E 84 57.474 51.560 19.188 1.00 10.13 C ATOM 599 N ALA E 85 56.952 56.037 20.325 1.00 8.92 N ATOM 600 CA ALA E 85 57.244 57.485 20.314 1.00 9.01 C ATOM 601 C ALA E 85 56.078 58.200 21.026 1.00 8.66 C ATOM 602 O ALA E 85 55.196 58.758 20.345 1.00 8.12 O ATOM 603 CB ALA E 85 57.378 57.970 18.800 1.00 9.14 C ATOM 604 N PRO E 86 56.052 58.111 22.348 1.00 8.26 N ATOM 605 CA PRO E 86 54.856 58.482 23.120 1.00 9.39 C ATOM 606 C PRO E 86 54.574 59.976 23.108 1.00 10.16 C ATOM 607 O PRO E 86 53.468 60.343 23.485 1.00 10.39 O ATOM 608 CB PRO E 86 55.168 57.978 24.545 1.00 10.60 C ATOM 609 CG PRO E 86 56.691 57.956 24.576 1.00 10.44 C ATOM 610 CD PRO E 86 57.070 57.472 23.210 1.00 7.97 C ATOM 611 N SER E 87 55.524 60.804 22.666 1.00 10.61 N ATOM 612 CA SER E 87 55.239 62.237 22.528 1.00 10.55 C ATOM 613 C SER E 87 54.947 62.651 21.088 1.00 10.72 C ATOM 614 O SER E 87 54.802 63.839 20.788 1.00 11.44 O ATOM 615 CB SER E 87 56.410 63.106 23.064 1.00 10.74 C ATOM 616 OG SER E 87 56.628 62.831 24.430 1.00 10.83 O ATOM 617 N ALA E 88 54.844 61.707 20.160 1.00 10.30 N ATOM 618 CA ALA E 88 54.627 62.122 18.779 1.00 11.05 C ATOM 619 C ALA E 88 53.308 62.823 18.589 1.00 10.90 C ATOM 620 O ALA E 88 52.364 62.585 19.349 1.00 11.52 O ATOM 621 CB ALA E 88 54.707 60.914 17.816 1.00 11.32 C ATOM 622 N SER E 89 53.263 63.715 17.589 1.00 10.47 N ATOM 623 CA SER E 89 52.007 64.390 17.218 1.00 11.58 C ATOM 624 C SER E 89 51.325 63.421 16.260 1.00 10.11 C ATOM 625 O SER E 89 51.784 63.205 15.144 1.00 10.89 O ATOM 626 CB SER E 89 52.309 65.719 16.507 1.00 11.88 C ATOM 627 OG SER E 89 52.822 66.603 17.498 1.00 13.10 O ATOM 628 N LEU E 90 50.224 62.847 16.718 1.00 11.51 N ATOM 629 CA LEU E 90 49.568 61.755 16.017 1.00 12.01 C ATOM 630 C LEU E 90 48.381 62.260 15.178 1.00 12.83 C ATOM 631 O LEU E 90 47.513 62.922 15.738 1.00 13.75 O ATOM 632 CB LEU E 90 49.085 60.773 17.102 1.00 14.43 C ATOM 633 CG LEU E 90 48.407 59.483 16.822 1.00 16.98 C ATOM 634 CD1 LEU E 90 49.449 58.571 16.039 1.00 18.43 C ATOM 635 CD2 LEU E 90 47.993 58.808 18.145 1.00 16.04 C ATOM 636 N TYR E 91 48.324 61.921 13.883 1.00 12.54 N ATOM 637 CA TYR E 91 47.257 62.372 12.984 1.00 12.65 C ATOM 638 C TYR E 91 46.473 61.174 12.474 1.00 12.65 C ATOM 639 O TYR E 91 47.052 60.192 12.008 1.00 12.20 O ATOM 640 CB TYR E 91 47.842 63.175 11.816 1.00 12.25 C ATOM 641 CG TYR E 91 48.415 64.469 12.333 1.00 11.35 C ATOM 642 CD1 TYR E 91 49.672 64.490 12.966 1.00 11.50 C ATOM 643 CD2 TYR E 91 47.652 65.638 12.300 1.00 14.69 C ATOM 644 CE1 TYR E 91 50.194 65.680 13.511 1.00 12.44 C ATOM 645 CE2 TYR E 91 48.159 66.843 12.858 1.00 14.95 C ATOM 646 CZ TYR E 91 49.440 66.843 13.434 1.00 16.49 C ATOM 647 OH TYR E 91 50.006 67.986 13.991 1.00 19.37 O ATOM 648 N ALA E 92 45.153 61.225 12.662 1.00 12.68 N ATOM 649 CA ALA E 92 44.297 60.165 12.153 1.00 12.49 C ATOM 650 C ALA E 92 43.911 60.506 10.706 1.00 13.35 C ATOM 651 O ALA E 92 43.118 61.438 10.471 1.00 13.89 O ATOM 652 CB ALA E 92 43.030 60.058 13.014 1.00 11.65 C ATOM 653 N VAL E 93 44.448 59.750 9.756 1.00 12.86 N ATOM 654 CA VAL E 93 44.130 59.984 8.346 1.00 14.06 C ATOM 655 C VAL E 93 43.315 58.787 7.909 1.00 13.80 C ATOM 656 O VAL E 93 43.868 57.760 7.548 1.00 14.59 O ATOM 657 CB VAL E 93 45.395 60.169 7.484 1.00 13.70 C ATOM 658 CG1 VAL E 93 45.022 60.456 5.987 1.00 13.92 C ATOM 659 CG2 VAL E 93 46.248 61.337 8.076 1.00 13.01 C ATOM 660 N LYS E 94 41.987 58.948 7.969 1.00 14.30 N ATOM 661 CA LYS E 94 41.099 57.817 7.785 1.00 13.89 C ATOM 662 C LYS E 94 40.895 57.588 6.281 1.00 15.44 C ATOM 663 O LYS E 94 40.374 58.469 5.588 1.00 15.57 O ATOM 664 CB LYS E 94 39.761 58.077 8.510 1.00 13.88 C ATOM 665 CG LYS E 94 38.816 56.883 8.277 1.00 15.65 C ATOM 666 CD LYS E 94 37.397 57.133 8.730 1.00 21.23 C ATOM 667 CE LYS E 94 37.233 56.750 10.128 1.00 25.22 C ATOM 668 NZ LYS E 94 35.755 56.538 10.476 1.00 22.41 N ATOM 669 N VAL E 95 41.339 56.423 5.801 1.00 13.81 N ATOM 670 CA VAL E 95 41.189 56.048 4.383 1.00 14.82 C ATOM 671 C VAL E 95 40.553 54.678 4.210 1.00 15.89 C ATOM 672 O VAL E 95 40.350 54.220 3.056 1.00 15.65 O ATOM 673 CB VAL E 95 42.548 56.039 3.636 1.00 14.44 C ATOM 674 CG1 VAL E 95 43.248 57.467 3.765 1.00 13.54 C ATOM 675 CG2 VAL E 95 43.458 54.869 4.145 1.00 14.70 C ATOM 676 N LEU E 96 40.282 54.019 5.341 1.00 15.55 N ATOM 677 CA LEU E 96 39.631 52.688 5.359 1.00 17.23 C ATOM 678 C LEU E 96 38.346 52.823 6.134 1.00 16.81 C ATOM 679 O LEU E 96 38.300 53.475 7.184 1.00 16.74 O ATOM 680 CB LEU E 96 40.511 51.629 6.065 1.00 15.82 C ATOM 681 CG LEU E 96 41.930 51.526 5.526 1.00 16.45 C ATOM 682 CD1 LEU E 96 42.760 50.490 6.304 1.00 14.47 C ATOM 683 CD2 LEU E 96 41.930 51.122 4.002 1.00 16.20 C ATOM 684 N GLY E 97 37.280 52.177 5.637 1.00 19.53 N ATOM 685 CA GLY E 97 36.034 52.149 6.372 1.00 19.06 C ATOM 686 C GLY E 97 36.011 51.086 7.447 1.00 20.57 C ATOM 687 O GLY E 97 37.004 50.343 7.677 1.00 20.78 O ATOM 688 N ALA E 98 34.869 51.005 8.117 1.00 19.71 N ATOM 689 CA ALA E 98 34.634 50.031 9.168 1.00 19.99 C ATOM 690 C ALA E 98 35.031 48.612 8.737 1.00 19.37 C ATOM 691 O ALA E 98 35.542 47.811 9.540 1.00 18.41 O ATOM 692 CB ALA E 98 33.151 50.046 9.594 1.00 19.48 C ATOM 693 N ASP E 99 34.806 48.289 7.471 1.00 19.96 N ATOM 694 CA ASP E 99 35.106 46.924 7.040 1.00 20.01 C ATOM 695 C ASP E 99 36.590 46.657 6.759 1.00 19.64 C ATOM 696 O ASP E 99 36.953 45.571 6.328 1.00 19.03 O ATOM 697 CB ASP E 99 34.208 46.468 5.861 1.00 21.52 C ATOM 698 CG ASP E 99 34.485 47.184 4.576 1.00 25.50 C ATOM 699 OD1 ASP E 99 35.481 47.979 4.458 1.00 22.67 O ATOM 700 OD2 ASP E 99 33.708 47.008 3.589 1.00 27.19 O ATOM 701 N GLY E 100 37.452 47.652 7.013 1.00 19.35 N ATOM 702 CA GLY E 100 38.881 47.430 6.803 1.00 18.22 C ATOM 703 C GLY E 100 39.389 47.680 5.403 1.00 18.12 C ATOM 704 O GLY E 100 40.547 47.403 5.103 1.00 17.10 O ATOM 705 N SER E 101 38.533 48.191 4.514 1.00 17.93 N ATOM 706 CA SER E 101 38.921 48.349 3.115 1.00 18.01 C ATOM 707 C SER E 101 38.759 49.797 2.659 1.00 16.95 C ATOM 708 O SER E 101 37.942 50.548 3.208 1.00 17.53 O ATOM 709 CB SER E 101 38.081 47.408 2.216 1.00 17.63 C ATOM 710 OG ASER E 101 36.784 47.978 2.056 0.67 16.87 O ATOM 711 OG BSER E 101 37.948 47.899 0.893 0.33 19.04 O ATOM 712 N GLY E 102 39.547 50.156 1.668 1.00 17.21 N ATOM 713 CA GLY E 102 39.456 51.451 1.024 1.00 18.14 C ATOM 714 C GLY E 102 39.777 51.380 -0.452 1.00 18.23 C ATOM 715 O GLY E 102 40.542 50.528 -0.917 1.00 19.19 O ATOM 716 N GLN E 103 39.178 52.292 -1.207 1.00 19.45 N ATOM 717 CA GLN E 103 39.528 52.477 -2.610 1.00 20.95 C ATOM 718 C GLN E 103 40.916 53.094 -2.752 1.00 21.11 C ATOM 719 O GLN E 103 41.311 53.912 -1.894 1.00 20.46 O ATOM 720 CB AGLN E 103 38.467 53.359 -3.272 0.67 21.44 C ATOM 721 CB BGLN E 103 38.486 53.372 -3.291 0.33 21.12 C ATOM 722 CG AGLN E 103 37.133 52.602 -3.440 0.67 24.16 C ATOM 723 CG BGLN E 103 37.099 52.721 -3.415 0.33 23.09 C ATOM 724 CD AGLN E 103 36.024 53.467 -4.000 0.67 29.20 C ATOM 725 CD BGLN E 103 37.081 51.517 -4.347 0.33 25.99 C ATOM 726 OE1AGLN E 103 36.265 54.330 -4.849 0.67 31.78 O ATOM 727 OE1BGLN E 103 37.631 51.560 -5.447 0.33 27.10 O ATOM 728 NE2AGLN E 103 34.808 53.246 -3.525 0.67 31.40 N ATOM 729 NE2BGLN E 103 36.445 50.437 -3.903 0.33 28.34 N ATOM 730 N TYR E 104 41.628 52.746 -3.830 1.00 20.65 N ATOM 731 CA TYR E 104 42.935 53.347 -4.111 1.00 20.69 C ATOM 732 C TYR E 104 42.921 54.885 -4.014 1.00 21.14 C ATOM 733 O TYR E 104 43.808 55.488 -3.396 1.00 19.21 O ATOM 734 CB TYR E 104 43.535 52.871 -5.444 1.00 20.94 C ATOM 735 CG TYR E 104 44.274 51.545 -5.365 1.00 22.13 C ATOM 736 CD1 TYR E 104 43.621 50.387 -4.910 1.00 24.60 C ATOM 737 CD2 TYR E 104 45.628 51.434 -5.740 1.00 24.55 C ATOM 738 CE1 TYR E 104 44.270 49.171 -4.847 1.00 24.15 C ATOM 739 CE2 TYR E 104 46.294 50.186 -5.671 1.00 25.82 C ATOM 740 CZ TYR E 104 45.595 49.068 -5.213 1.00 27.71 C ATOM 741 OH TYR E 104 46.180 47.816 -5.105 1.00 31.35 O ATOM 742 N SER E 105 41.909 55.519 -4.597 1.00 20.33 N ATOM 743 CA SER E 105 41.829 56.971 -4.526 1.00 20.95 C ATOM 744 C SER E 105 41.728 57.536 -3.093 1.00 19.96 C ATOM 745 O SER E 105 42.219 58.630 -2.846 1.00 19.09 O ATOM 746 CB SER E 105 40.666 57.509 -5.377 1.00 20.83 C ATOM 747 OG SER E 105 39.442 57.188 -4.761 1.00 22.32 O ATOM 748 N TRP E 106 41.108 56.805 -2.166 1.00 19.45 N ATOM 749 CA TRP E 106 40.998 57.267 -0.763 1.00 19.72 C ATOM 750 C TRP E 106 42.396 57.252 -0.131 1.00 18.93 C ATOM 751 O TRP E 106 42.780 58.191 0.574 1.00 17.96 O ATOM 752 CB TRP E 106 40.057 56.373 0.054 1.00 19.93 C ATOM 753 CG TRP E 106 38.645 56.211 -0.508 1.00 20.78 C ATOM 754 CD1 TRP E 106 38.092 56.866 -1.612 1.00 22.19 C ATOM 755 CD2 TRP E 106 37.648 55.299 -0.042 1.00 21.26 C ATOM 756 NE1 TRP E 106 36.804 56.416 -1.802 1.00 21.87 N ATOM 757 CE2 TRP E 106 36.508 55.450 -0.871 1.00 20.67 C ATOM 758 CE3 TRP E 106 37.582 54.388 1.028 1.00 20.19 C ATOM 759 CZ2 TRP E 106 35.325 54.705 -0.676 1.00 23.06 C ATOM 760 CZ3 TRP E 106 36.413 53.628 1.213 1.00 23.86 C ATOM 761 CH2 TRP E 106 35.298 53.795 0.357 1.00 23.67 C ATOM 762 N ILE E 107 43.158 56.202 -0.412 1.00 17.97 N ATOM 763 CA ILE E 107 44.513 56.073 0.177 1.00 16.83 C ATOM 764 C ILE E 107 45.372 57.200 -0.404 1.00 17.63 C ATOM 765 O ILE E 107 46.107 57.911 0.323 1.00 16.92 O ATOM 766 CB ILE E 107 45.127 54.680 -0.128 1.00 17.36 C ATOM 767 CG1 ILE E 107 44.643 53.591 0.870 1.00 18.15 C ATOM 768 CG2 ILE E 107 46.673 54.706 -0.001 1.00 17.60 C ATOM 769 CD1 ILE E 107 43.160 53.252 0.903 1.00 19.79 C ATOM 770 N ILE E 108 45.247 57.403 -1.719 1.00 15.91 N ATOM 771 CA ILE E 108 46.021 58.444 -2.382 1.00 16.74 C ATOM 772 C ILE E 108 45.651 59.813 -1.806 1.00 15.66 C ATOM 773 O ILE E 108 46.548 60.610 -1.500 1.00 16.88 O ATOM 774 CB ILE E 108 45.801 58.373 -3.941 1.00 16.36 C ATOM 775 CG1 ILE E 108 46.545 57.162 -4.476 1.00 16.41 C ATOM 776 CG2 ILE E 108 46.365 59.667 -4.639 1.00 16.98 C ATOM 777 CD1 ILE E 108 46.012 56.707 -5.906 1.00 19.89 C ATOM 778 N ASN E 109 44.358 60.072 -1.617 1.00 16.32 N ATOM 779 CA ASN E 109 43.933 61.336 -1.035 1.00 17.49 C ATOM 780 C ASN E 109 44.516 61.540 0.383 1.00 17.34 C ATOM 781 O ASN E 109 44.900 62.662 0.749 1.00 16.39 O ATOM 782 CB ASN E 109 42.408 61.480 -0.990 1.00 17.52 C ATOM 783 CG ASN E 109 41.800 61.732 -2.358 1.00 21.30 C ATOM 784 OD1 ASN E 109 42.497 62.093 -3.291 1.00 24.14 O ATOM 785 ND2 ASN E 109 40.488 61.534 -2.470 1.00 22.83 N ATOM 786 N GLY E 110 44.595 60.449 1.156 1.00 16.92 N ATOM 787 CA GLY E 110 45.188 60.523 2.499 1.00 15.03 C ATOM 788 C GLY E 110 46.679 60.851 2.417 1.00 14.90 C ATOM 789 O GLY E 110 47.172 61.672 3.195 1.00 14.44 O ATOM 790 N ILE E 111 47.406 60.179 1.520 1.00 14.72 N ATOM 791 CA ILE E 111 48.825 60.490 1.306 1.00 15.07 C ATOM 792 C ILE E 111 49.000 61.953 0.908 1.00 15.82 C ATOM 793 O ILE E 111 49.849 62.646 1.476 1.00 15.03 O ATOM 794 CB ILE E 111 49.474 59.554 0.271 1.00 15.77 C ATOM 795 CG1 ILE E 111 49.457 58.108 0.781 1.00 15.27 C ATOM 796 CG2 ILE E 111 50.934 59.940 -0.050 1.00 13.84 C ATOM 797 CD1 ILE E 111 49.706 57.085 -0.378 1.00 15.94 C ATOM 798 N GLU E 112 48.173 62.427 -0.030 1.00 15.04 N ATOM 799 CA GLU E 112 48.236 63.857 -0.403 1.00 16.22 C ATOM 800 C GLU E 112 47.945 64.802 0.759 1.00 16.02 C ATOM 801 O GLU E 112 48.612 65.842 0.897 1.00 17.11 O ATOM 802 CB GLU E 112 47.283 64.144 -1.582 1.00 17.69 C ATOM 803 CG GLU E 112 47.710 63.421 -2.851 1.00 18.24 C ATOM 804 CD GLU E 112 48.819 64.089 -3.646 1.00 26.83 C ATOM 805 OE1 GLU E 112 49.451 65.079 -3.177 1.00 26.32 O ATOM 806 OE2 GLU E 112 49.069 63.589 -4.781 1.00 31.00 O ATOM 807 N TRP E 113 46.955 64.479 1.583 1.00 15.02 N ATOM 808 CA TRP E 113 46.667 65.277 2.784 1.00 15.04 C ATOM 809 C TRP E 113 47.925 65.325 3.675 1.00 14.85 C ATOM 810 O TRP E 113 48.298 66.363 4.199 1.00 14.41 O ATOM 811 CB TRP E 113 45.484 64.699 3.569 1.00 13.89 C ATOM 812 CG TRP E 113 45.077 65.530 4.746 1.00 16.62 C ATOM 813 CD1 TRP E 113 44.124 66.526 4.778 1.00 17.54 C ATOM 814 CD2 TRP E 113 45.663 65.498 6.066 1.00 15.54 C ATOM 815 NE1 TRP E 113 44.072 67.080 6.037 1.00 17.96 N ATOM 816 CE2 TRP E 113 44.999 66.467 6.845 1.00 17.94 C ATOM 817 CE3 TRP E 113 46.667 64.711 6.671 1.00 15.29 C ATOM 818 CZ2 TRP E 113 45.309 66.692 8.203 1.00 17.42 C ATOM 819 CZ3 TRP E 113 47.007 64.962 8.019 1.00 16.85 C ATOM 820 CH2 TRP E 113 46.321 65.944 8.762 1.00 14.94 C ATOM 821 N ALA E 114 48.541 64.161 3.879 1.00 14.30 N ATOM 822 CA ALA E 114 49.720 64.090 4.735 1.00 14.54 C ATOM 823 C ALA E 114 50.814 64.999 4.216 1.00 15.02 C ATOM 824 O ALA E 114 51.445 65.707 4.988 1.00 15.26 O ATOM 825 CB ALA E 114 50.213 62.632 4.829 1.00 14.93 C ATOM 826 N ILE E 115 51.062 64.964 2.897 1.00 15.51 N ATOM 827 CA ILE E 115 52.075 65.834 2.297 1.00 16.44 C ATOM 828 C ILE E 115 51.704 67.310 2.530 1.00 17.39 C ATOM 829 O ILE E 115 52.549 68.109 2.986 1.00 17.35 O ATOM 830 CB ILE E 115 52.254 65.545 0.786 1.00 16.85 C ATOM 831 CG1 ILE E 115 52.739 64.114 0.562 1.00 17.35 C ATOM 832 CG2 ILE E 115 53.265 66.549 0.165 1.00 17.55 C ATOM 833 CD1 ILE E 115 52.598 63.636 -0.922 1.00 16.97 C ATOM 834 N ALA E 116 50.456 67.669 2.239 1.00 16.77 N ATOM 835 CA ALA E 116 50.010 69.092 2.320 1.00 17.71 C ATOM 836 C ALA E 116 50.042 69.607 3.760 1.00 18.29 C ATOM 837 O ALA E 116 50.146 70.832 4.007 1.00 19.76 O ATOM 838 CB ALA E 116 48.584 69.235 1.771 1.00 18.83 C ATOM 839 N ASN E 117 49.939 68.675 4.717 1.00 16.90 N ATOM 840 CA ASN E 117 49.936 69.043 6.126 1.00 16.51 C ATOM 841 C ASN E 117 51.288 68.841 6.841 1.00 15.29 C ATOM 842 O ASN E 117 51.362 68.903 8.074 1.00 15.69 O ATOM 843 CB ASN E 117 48.761 68.367 6.829 1.00 16.10 C ATOM 844 CG ASN E 117 47.438 69.049 6.489 1.00 18.52 C ATOM 845 OD1 ASN E 117 47.000 69.960 7.196 1.00 20.46 O ATOM 846 ND2 ASN E 117 46.820 68.637 5.393 1.00 16.35 N ATOM 847 N ASN E 118 52.327 68.596 6.054 1.00 15.21 N ATOM 848 CA ASN E 118 53.715 68.580 6.500 1.00 15.70 C ATOM 849 C ASN E 118 53.978 67.461 7.505 1.00 15.57 C ATOM 850 O ASN E 118 54.697 67.660 8.490 1.00 15.37 O ATOM 851 CB ASN E 118 54.110 69.935 7.115 1.00 17.97 C ATOM 852 CG ASN E 118 53.986 71.071 6.090 1.00 21.97 C ATOM 853 OD1 ASN E 118 54.509 70.974 5.007 1.00 24.44 O ATOM 854 ND2 ASN E 118 53.260 72.131 6.447 1.00 28.44 N ATOM 855 N MET E 119 53.384 66.294 7.253 1.00 14.42 N ATOM 856 CA MET E 119 53.675 65.130 8.105 1.00 13.22 C ATOM 857 C MET E 119 55.129 64.737 7.923 1.00 13.63 C ATOM 858 O MET E 119 55.640 64.792 6.813 1.00 14.71 O ATOM 859 CB MET E 119 52.786 63.946 7.682 1.00 13.53 C ATOM 860 CG MET E 119 51.298 64.144 7.971 1.00 12.87 C ATOM 861 SD MET E 119 50.870 64.330 9.717 1.00 13.62 S ATOM 862 CE MET E 119 50.373 66.159 9.759 1.00 12.94 C ATOM 863 N ASP E 120 55.804 64.373 9.013 1.00 11.89 N ATOM 864 CA ASP E 120 57.188 63.897 8.951 1.00 12.21 C ATOM 865 C ASP E 120 57.275 62.416 8.642 1.00 11.09 C ATOM 866 O ASP E 120 58.262 61.953 8.054 1.00 11.17 O ATOM 867 CB ASP E 120 57.856 64.131 10.307 1.00 12.24 C ATOM 868 CG ASP E 120 57.903 65.629 10.650 1.00 14.66 C ATOM 869 OD1 ASP E 120 58.518 66.392 9.855 1.00 13.93 O ATOM 870 OD2 ASP E 120 57.260 66.084 11.622 1.00 12.85 O ATOM 871 N VAL E 121 56.246 61.673 9.067 1.00 10.40 N ATOM 872 CA VAL E 121 56.249 60.197 8.904 1.00 9.54 C ATOM 873 C VAL E 121 54.832 59.779 8.509 1.00 10.79 C ATOM 874 O VAL E 121 53.869 60.318 9.037 1.00 11.37 O ATOM 875 CB VAL E 121 56.620 59.476 10.262 1.00 9.68 C ATOM 876 CG1 VAL E 121 56.642 57.949 10.084 1.00 9.26 C ATOM 877 CG2 VAL E 121 57.989 59.966 10.818 1.00 8.88 C ATOM 878 N ILE E 122 54.722 58.839 7.561 1.00 10.39 N ATOM 879 CA ILE E 122 53.467 58.161 7.257 1.00 10.89 C ATOM 880 C ILE E 122 53.602 56.686 7.597 1.00 10.80 C ATOM 881 O ILE E 122 54.616 56.039 7.269 1.00 11.99 O ATOM 882 CB ILE E 122 53.172 58.298 5.758 1.00 11.52 C ATOM 883 CG1 ILE E 122 52.635 59.696 5.464 1.00 11.68 C ATOM 884 CG2 ILE E 122 52.157 57.187 5.289 1.00 12.50 C ATOM 885 CD1 ILE E 122 52.573 59.983 3.922 1.00 11.06 C ATOM 886 N ASN E 123 52.592 56.162 8.300 1.00 10.39 N ATOM 887 CA ASN E 123 52.534 54.707 8.489 1.00 9.78 C ATOM 888 C ASN E 123 51.334 54.213 7.711 1.00 10.72 C ATOM 889 O ASN E 123 50.237 54.748 7.871 1.00 10.28 O ATOM 890 CB ASN E 123 52.300 54.363 9.949 1.00 10.05 C ATOM 891 CG ASN E 123 52.295 52.841 10.172 1.00 10.21 C ATOM 892 OD1 ASN E 123 53.352 52.233 10.323 1.00 11.07 O ATOM 893 ND2 ASN E 123 51.095 52.235 10.179 1.00 10.03 N ATOM 894 N MET E 124 51.545 53.186 6.880 1.00 11.08 N ATOM 895 CA MET E 124 50.431 52.531 6.180 1.00 10.93 C ATOM 896 C MET E 124 50.413 51.006 6.488 1.00 10.93 C ATOM 897 O MET E 124 51.103 50.216 5.833 1.00 11.30 O ATOM 898 CB MET E 124 50.566 52.763 4.676 1.00 12.47 C ATOM 899 CG MET E 124 50.022 54.142 4.318 1.00 12.42 C ATOM 900 SD MET E 124 50.187 54.516 2.520 1.00 15.46 S ATOM 901 CE MET E 124 51.840 54.556 2.317 1.00 13.57 C ATOM 902 N SER E 125 49.602 50.640 7.469 1.00 11.97 N ATOM 903 CA SER E 125 49.472 49.248 7.873 1.00 11.18 C ATOM 904 C SER E 125 48.367 48.661 6.978 1.00 12.64 C ATOM 905 O SER E 125 47.309 48.274 7.442 1.00 12.21 O ATOM 906 CB SER E 125 49.110 49.174 9.342 1.00 10.59 C ATOM 907 OG SER E 125 50.341 49.382 10.093 1.00 10.78 O ATOM 908 N LEU E 126 48.639 48.690 5.684 1.00 13.37 N ATOM 909 CA LEU E 126 47.607 48.349 4.708 1.00 14.19 C ATOM 910 C LEU E 126 48.280 47.886 3.424 1.00 14.24 C ATOM 911 O LEU E 126 49.497 48.069 3.216 1.00 13.95 O ATOM 912 CB LEU E 126 46.674 49.554 4.491 1.00 14.46 C ATOM 913 CG LEU E 126 47.263 50.953 4.248 1.00 14.02 C ATOM 914 CD1 LEU E 126 47.951 50.997 2.853 1.00 17.70 C ATOM 915 CD2 LEU E 126 46.205 52.056 4.374 1.00 17.14 C ATOM 916 N GLY E 127 47.494 47.295 2.527 1.00 15.52 N ATOM 917 CA GLY E 127 48.100 46.889 1.267 1.00 16.22 C ATOM 918 C GLY E 127 47.111 46.189 0.331 1.00 17.46 C ATOM 919 O GLY E 127 45.971 45.913 0.700 1.00 16.47 O ATOM 920 N GLY E 128 47.594 45.918 -0.886 1.00 18.85 N ATOM 921 CA GLY E 128 46.849 45.139 -1.877 1.00 20.63 C ATOM 922 C GLY E 128 47.860 44.487 -2.780 1.00 21.73 C ATOM 923 O GLY E 128 49.015 44.918 -2.840 1.00 20.99 O ATOM 924 N PRO E 129 47.437 43.440 -3.494 1.00 23.14 N ATOM 925 CA PRO E 129 48.356 42.672 -4.350 1.00 23.94 C ATOM 926 C PRO E 129 48.793 43.385 -5.615 1.00 25.27 C ATOM 927 O PRO E 129 49.805 42.956 -6.186 1.00 26.54 O ATOM 928 CB PRO E 129 47.535 41.434 -4.718 1.00 23.87 C ATOM 929 CG PRO E 129 46.117 41.889 -4.633 1.00 23.23 C ATOM 930 CD PRO E 129 46.072 42.880 -3.469 1.00 23.94 C ATOM 931 N SER E 130 48.078 44.412 -6.055 1.00 25.66 N ATOM 932 CA SER E 130 48.462 45.123 -7.270 1.00 27.76 C ATOM 933 C SER E 130 48.800 46.580 -6.983 1.00 28.39 C ATOM 934 O SER E 130 48.255 47.186 -6.057 1.00 29.87 O ATOM 935 CB SER E 130 47.333 45.073 -8.320 1.00 27.81 C ATOM 936 OG ASER E 130 46.151 45.650 -7.836 0.50 28.15 O ATOM 937 OG BSER E 130 46.727 43.785 -8.334 0.50 27.19 O ATOM 938 N GLY E 131 49.680 47.148 -7.783 1.00 28.58 N ATOM 939 CA GLY E 131 49.924 48.565 -7.604 1.00 28.26 C ATOM 940 C GLY E 131 49.020 49.364 -8.518 1.00 28.20 C ATOM 941 O GLY E 131 48.091 48.806 -9.177 1.00 28.19 O ATOM 942 N SER E 132 49.248 50.669 -8.525 1.00 26.03 N ATOM 943 CA SER E 132 48.778 51.534 -9.600 1.00 24.58 C ATOM 944 C SER E 132 49.810 52.652 -9.782 1.00 24.85 C ATOM 945 O SER E 132 50.566 53.001 -8.847 1.00 22.49 O ATOM 946 CB SER E 132 47.375 52.071 -9.317 1.00 24.26 C ATOM 947 OG SER E 132 47.382 53.181 -8.415 1.00 22.32 O ATOM 948 N ALA E 133 49.869 53.197 -10.992 1.00 24.03 N ATOM 949 CA ALA E 133 50.732 54.320 -11.249 1.00 23.66 C ATOM 950 C ALA E 133 50.421 55.489 -10.295 1.00 22.56 C ATOM 951 O ALA E 133 51.355 56.124 -9.806 1.00 22.94 O ATOM 952 CB ALA E 133 50.619 54.753 -12.743 1.00 24.62 C ATOM 953 N ALA E 134 49.139 55.744 -10.032 1.00 20.87 N ATOM 954 CA ALA E 134 48.741 56.871 -9.197 1.00 20.74 C ATOM 955 C ALA E 134 49.188 56.602 -7.742 1.00 20.49 C ATOM 956 O ALA E 134 49.594 57.541 -7.023 1.00 19.81 O ATOM 957 CB ALA E 134 47.225 57.106 -9.255 1.00 20.48 C ATOM 958 N LEU E 135 49.128 55.340 -7.320 1.00 19.61 N ATOM 959 CA LEU E 135 49.565 55.019 -5.947 1.00 19.61 C ATOM 960 C LEU E 135 51.071 55.193 -5.830 1.00 20.12 C ATOM 961 O LEU E 135 51.573 55.799 -4.849 1.00 18.95 O ATOM 962 CB LEU E 135 49.134 53.608 -5.526 1.00 18.86 C ATOM 963 CG LEU E 135 49.619 53.159 -4.126 1.00 20.08 C ATOM 964 CD1 LEU E 135 48.933 53.989 -3.069 1.00 17.73 C ATOM 965 CD2 LEU E 135 49.354 51.636 -3.902 1.00 18.29 C ATOM 966 N LYS E 136 51.805 54.660 -6.810 1.00 19.77 N ATOM 967 CA LYS E 136 53.253 54.840 -6.836 1.00 18.99 C ATOM 968 C LYS E 136 53.618 56.342 -6.868 1.00 18.97 C ATOM 969 O LYS E 136 54.538 56.808 -6.174 1.00 18.09 O ATOM 970 CB LYS E 136 53.913 54.064 -8.020 1.00 18.57 C ATOM 971 CG LYS E 136 55.446 54.055 -7.925 1.00 18.42 C ATOM 972 CD LYS E 136 56.159 53.422 -9.119 1.00 20.33 C ATOM 973 CE LYS E 136 57.603 53.262 -8.837 1.00 21.40 C ATOM 974 NZ LYS E 136 58.403 54.522 -8.900 1.00 22.96 N ATOM 975 N ALA E 137 52.902 57.116 -7.678 1.00 18.58 N ATOM 976 CA ALA E 137 53.222 58.549 -7.749 1.00 19.49 C ATOM 977 C ALA E 137 52.999 59.250 -6.393 1.00 18.62 C ATOM 978 O ALA E 137 53.769 60.155 -6.024 1.00 19.77 O ATOM 979 CB ALA E 137 52.394 59.199 -8.856 1.00 19.07 C ATOM 980 N ALA E 138 51.975 58.810 -5.648 1.00 17.81 N ATOM 981 CA ALA E 138 51.636 59.463 -4.376 1.00 16.80 C ATOM 982 C ALA E 138 52.719 59.169 -3.358 1.00 16.17 C ATOM 983 O ALA E 138 53.214 60.112 -2.703 1.00 15.94 O ATOM 984 CB ALA E 138 50.283 59.011 -3.852 1.00 17.51 C ATOM 985 N VAL E 139 53.102 57.894 -3.227 1.00 15.37 N ATOM 986 CA VAL E 139 54.217 57.580 -2.303 1.00 15.63 C ATOM 987 C VAL E 139 55.563 58.187 -2.718 1.00 15.94 C ATOM 988 O VAL E 139 56.314 58.660 -1.867 1.00 16.46 O ATOM 989 CB VAL E 139 54.352 56.058 -1.939 1.00 15.02 C ATOM 990 CG1 VAL E 139 53.102 55.550 -1.190 1.00 16.00 C ATOM 991 CG2 VAL E 139 54.683 55.177 -3.152 1.00 15.63 C ATOM 992 N ASP E 140 55.868 58.187 -4.015 1.00 16.63 N ATOM 993 CA ASP E 140 57.095 58.781 -4.488 1.00 17.29 C ATOM 994 C ASP E 140 57.083 60.266 -4.201 1.00 17.12 C ATOM 995 O ASP E 140 58.126 60.813 -3.851 1.00 18.58 O ATOM 996 CB ASP E 140 57.256 58.576 -6.007 1.00 17.86 C ATOM 997 CG ASP E 140 57.574 57.141 -6.376 1.00 21.46 C ATOM 998 OD1 ASP E 140 57.732 56.295 -5.452 1.00 18.16 O ATOM 999 OD2 ASP E 140 57.685 56.773 -7.580 1.00 19.11 O ATOM 1000 N LYS E 141 55.919 60.908 -4.349 1.00 17.52 N ATOM 1001 CA LYS E 141 55.816 62.339 -4.100 1.00 17.77 C ATOM 1002 C LYS E 141 56.054 62.635 -2.618 1.00 16.59 C ATOM 1003 O LYS E 141 56.745 63.601 -2.271 1.00 16.21 O ATOM 1004 CB LYS E 141 54.440 62.868 -4.537 1.00 18.38 C ATOM 1005 CG LYS E 141 54.281 64.380 -4.425 1.00 20.27 C ATOM 1006 CD LYS E 141 52.815 64.778 -4.704 1.00 23.23 C ATOM 1007 CE LYS E 141 52.545 66.249 -4.436 1.00 25.73 C ATOM 1008 NZ LYS E 141 51.154 66.540 -4.894 1.00 25.87 N ATOM 1009 N ALA E 142 55.468 61.810 -1.743 1.00 15.82 N ATOM 1010 CA ALA E 142 55.678 61.999 -0.301 1.00 14.59 C ATOM 1011 C ALA E 142 57.138 61.907 0.059 1.00 13.82 C ATOM 1012 O ALA E 142 57.652 62.731 0.812 1.00 13.65 O ATOM 1013 CB ALA E 142 54.850 60.947 0.514 1.00 14.03 C ATOM 1014 N VAL E 143 57.821 60.904 -0.476 1.00 13.89 N ATOM 1015 CA VAL E 143 59.252 60.731 -0.192 1.00 13.82 C ATOM 1016 C VAL E 143 60.084 61.874 -0.782 1.00 13.97 C ATOM 1017 O VAL E 143 60.982 62.396 -0.096 1.00 12.35 O ATOM 1018 CB VAL E 143 59.727 59.340 -0.690 1.00 13.92 C ATOM 1019 CG1 VAL E 143 61.260 59.190 -0.648 1.00 14.96 C ATOM 1020 CG2 VAL E 143 59.016 58.230 0.169 1.00 12.56 C ATOM 1021 N ALA E 144 59.742 62.303 -2.009 1.00 14.72 N ATOM 1022 CA ALA E 144 60.452 63.441 -2.612 1.00 15.69 C ATOM 1023 C ALA E 144 60.269 64.679 -1.769 1.00 16.41 C ATOM 1024 O ALA E 144 61.184 65.550 -1.752 1.00 17.67 O ATOM 1025 CB ALA E 144 59.958 63.715 -4.054 1.00 15.70 C ATOM 1026 N SER E 145 59.115 64.777 -1.099 1.00 16.22 N ATOM 1027 CA SER E 145 58.787 65.921 -0.255 1.00 16.97 C ATOM 1028 C SER E 145 59.414 65.850 1.156 1.00 15.38 C ATOM 1029 O SER E 145 59.243 66.788 1.948 1.00 15.76 O ATOM 1030 CB SER E 145 57.279 66.171 -0.165 1.00 17.16 C ATOM 1031 OG SER E 145 56.691 66.331 -1.447 1.00 22.42 O ATOM 1032 N GLY E 146 60.140 64.760 1.471 1.00 14.29 N ATOM 1033 CA GLY E 146 60.803 64.643 2.751 1.00 12.56 C ATOM 1034 C GLY E 146 60.141 63.737 3.807 1.00 12.32 C ATOM 1035 O GLY E 146 60.626 63.678 4.927 1.00 12.29 O ATOM 1036 N VAL E 147 59.062 63.066 3.448 1.00 12.10 N ATOM 1037 CA VAL E 147 58.290 62.251 4.419 1.00 11.50 C ATOM 1038 C VAL E 147 58.931 60.862 4.496 1.00 12.11 C ATOM 1039 O VAL E 147 59.258 60.271 3.469 1.00 13.36 O ATOM 1040 CB VAL E 147 56.818 62.075 3.978 1.00 12.45 C ATOM 1041 CG1 VAL E 147 55.985 61.277 5.108 1.00 11.59 C ATOM 1042 CG2 VAL E 147 56.153 63.432 3.713 1.00 11.44 C ATOM 1043 N VAL E 148 59.111 60.335 5.701 1.00 10.37 N ATOM 1044 CA VAL E 148 59.469 58.915 5.860 1.00 10.33 C ATOM 1045 C VAL E 148 58.180 58.097 5.668 1.00 11.22 C ATOM 1046 O VAL E 148 57.226 58.281 6.429 1.00 11.82 O ATOM 1047 CB VAL E 148 60.021 58.648 7.300 1.00 10.03 C ATOM 1048 CG1 VAL E 148 60.281 57.145 7.477 1.00 11.80 C ATOM 1049 CG2 VAL E 148 61.387 59.438 7.536 1.00 9.41 C ATOM 1050 N VAL E 149 58.168 57.171 4.694 1.00 10.71 N ATOM 1051 CA VAL E 149 56.957 56.395 4.419 1.00 11.46 C ATOM 1052 C VAL E 149 57.218 54.938 4.760 1.00 10.45 C ATOM 1053 O VAL E 149 58.142 54.328 4.216 1.00 10.36 O ATOM 1054 CB VAL E 149 56.529 56.543 2.910 1.00 10.15 C ATOM 1055 CG1 VAL E 149 55.197 55.774 2.702 1.00 11.07 C ATOM 1056 CG2 VAL E 149 56.340 58.066 2.608 1.00 14.04 C ATOM 1057 N VAL E 150 56.413 54.420 5.692 1.00 11.27 N ATOM 1058 CA VAL E 150 56.612 53.052 6.219 1.00 10.45 C ATOM 1059 C VAL E 150 55.336 52.276 5.931 1.00 11.62 C ATOM 1060 O VAL E 150 54.233 52.796 6.122 1.00 11.22 O ATOM 1061 CB VAL E 150 56.843 53.064 7.755 1.00 11.12 C ATOM 1062 CG1 VAL E 150 57.181 51.609 8.271 1.00 10.72 C ATOM 1063 CG2 VAL E 150 57.996 54.073 8.102 1.00 9.51 C ATOM 1064 N ALA E 151 55.461 51.026 5.472 1.00 10.97 N ATOM 1065 CA ALA E 151 54.247 50.216 5.255 1.00 11.39 C ATOM 1066 C ALA E 151 54.429 48.748 5.666 1.00 10.91 C ATOM 1067 O ALA E 151 55.548 48.250 5.700 1.00 11.53 O ATOM 1068 CB ALA E 151 53.808 50.269 3.795 1.00 11.49 C ATOM 1069 N ALA E 152 53.336 48.094 5.996 1.00 11.23 N ATOM 1070 CA ALA E 152 53.357 46.626 6.239 1.00 12.19 C ATOM 1071 C ALA E 152 53.787 45.917 4.952 1.00 12.46 C ATOM 1072 O ALA E 152 53.338 46.299 3.863 1.00 13.39 O ATOM 1073 CB ALA E 152 51.953 46.169 6.660 1.00 12.39 C ATOM 1074 N ALA E 153 54.612 44.877 5.085 1.00 12.23 N ATOM 1075 CA ALA E 153 55.085 44.107 3.899 1.00 13.49 C ATOM 1076 C ALA E 153 53.948 43.295 3.289 1.00 15.46 C ATOM 1077 O ALA E 153 53.971 43.050 2.083 1.00 15.93 O ATOM 1078 CB ALA E 153 56.298 43.153 4.264 1.00 13.73 C ATOM 1079 N GLY E 154 52.970 42.924 4.124 1.00 14.03 N ATOM 1080 CA GLY E 154 51.843 42.052 3.753 1.00 14.43 C ATOM 1081 C GLY E 154 51.921 40.728 4.537 1.00 14.80 C ATOM 1082 O GLY E 154 52.951 40.395 5.142 1.00 14.06 O ATOM 1083 N ASN E 155 50.815 39.971 4.518 1.00 13.92 N ATOM 1084 CA ASN E 155 50.712 38.752 5.318 1.00 14.90 C ATOM 1085 C ASN E 155 50.474 37.549 4.387 1.00 15.87 C ATOM 1086 O ASN E 155 49.664 36.664 4.725 1.00 16.37 O ATOM 1087 CB ASN E 155 49.511 38.816 6.273 1.00 13.94 C ATOM 1088 CG ASN E 155 49.614 39.945 7.292 1.00 15.12 C ATOM 1089 OD1 ASN E 155 50.723 40.425 7.594 1.00 12.62 O ATOM 1090 ND2 ASN E 155 48.484 40.328 7.855 1.00 13.48 N ATOM 1091 N GLU E 156 51.214 37.521 3.280 1.00 17.83 N ATOM 1092 CA GLU E 156 51.020 36.479 2.233 1.00 19.16 C ATOM 1093 C GLU E 156 51.878 35.234 2.442 1.00 21.22 C ATOM 1094 O GLU E 156 51.759 34.234 1.672 1.00 23.02 O ATOM 1095 CB GLU E 156 51.312 37.057 0.848 1.00 19.76 C ATOM 1096 CG GLU E 156 50.369 38.149 0.405 1.00 21.60 C ATOM 1097 CD GLU E 156 48.911 37.716 0.494 1.00 27.65 C ATOM 1098 OE1 GLU E 156 48.613 36.553 0.169 1.00 29.57 O ATOM 1099 OE2 GLU E 156 48.066 38.512 0.922 1.00 30.13 O ATOM 1100 N GLY E 157 52.765 35.270 3.430 1.00 20.59 N ATOM 1101 CA GLY E 157 53.640 34.145 3.717 1.00 20.65 C ATOM 1102 C GLY E 157 54.554 33.872 2.533 1.00 22.22 C ATOM 1103 O GLY E 157 54.929 34.801 1.832 1.00 20.84 O ATOM 1104 N THR E 158 54.907 32.608 2.302 1.00 23.21 N ATOM 1105 CA THR E 158 55.827 32.287 1.200 1.00 25.42 C ATOM 1106 C THR E 158 55.084 31.734 -0.008 1.00 27.19 C ATOM 1107 O THR E 158 53.935 31.287 0.096 1.00 27.30 O ATOM 1108 CB THR E 158 56.883 31.264 1.626 1.00 25.57 C ATOM 1109 OG1 THR E 158 56.206 30.078 2.064 1.00 26.80 O ATOM 1110 CG2 THR E 158 57.652 31.719 2.835 1.00 24.65 C ATOM 1111 N SER E 159 55.739 31.779 -1.163 1.00 28.39 N ATOM 1112 CA SER E 159 55.161 31.186 -2.364 1.00 29.77 C ATOM 1113 C SER E 159 56.335 30.797 -3.240 1.00 29.66 C ATOM 1114 O SER E 159 56.610 31.441 -4.254 1.00 29.65 O ATOM 1115 CB SER E 159 54.246 32.187 -3.046 1.00 29.77 C ATOM 1116 OG SER E 159 53.811 31.688 -4.285 1.00 33.75 O ATOM 1117 N GLY E 160 57.060 29.777 -2.784 1.00 30.46 N ATOM 1118 CA GLY E 160 58.254 29.320 -3.448 1.00 31.10 C ATOM 1119 C GLY E 160 59.274 30.425 -3.524 1.00 31.81 C ATOM 1120 O GLY E 160 59.659 30.996 -2.504 1.00 32.11 O ATOM 1121 N SER E 161 59.720 30.730 -4.738 1.00 31.75 N ATOM 1122 CA SER E 161 60.765 31.728 -4.944 1.00 31.60 C ATOM 1123 C SER E 161 60.194 33.109 -5.287 1.00 30.05 C ATOM 1124 O SER E 161 60.962 34.035 -5.552 1.00 30.94 O ATOM 1125 CB SER E 161 61.723 31.254 -6.057 1.00 32.66 C ATOM 1126 OG ASER E 161 61.173 31.504 -7.339 0.50 32.26 O ATOM 1127 OG BSER E 161 62.530 30.165 -5.616 0.50 33.49 O ATOM 1128 N SER E 162 58.871 33.249 -5.287 1.00 28.28 N ATOM 1129 CA SER E 162 58.225 34.492 -5.705 1.00 27.60 C ATOM 1130 C SER E 162 58.194 35.496 -4.561 1.00 25.74 C ATOM 1131 O SER E 162 58.039 35.108 -3.421 1.00 24.52 O ATOM 1132 CB SER E 162 56.776 34.264 -6.105 1.00 28.24 C ATOM 1133 OG SER E 162 56.704 33.402 -7.237 1.00 33.08 O ATOM 1134 N SER E 163 58.282 36.773 -4.901 1.00 24.29 N ATOM 1135 CA SER E 163 58.011 37.817 -3.909 1.00 22.58 C ATOM 1136 C SER E 163 56.524 37.821 -3.552 1.00 22.15 C ATOM 1137 O SER E 163 55.688 37.658 -4.423 1.00 21.72 O ATOM 1138 CB SER E 163 58.406 39.160 -4.473 1.00 23.00 C ATOM 1139 OG SER E 163 57.982 40.161 -3.564 1.00 22.17 O ATOM 1140 N THR E 164 56.177 38.024 -2.277 1.00 19.67 N ATOM 1141 CA THR E 164 54.783 38.159 -1.891 1.00 18.02 C ATOM 1142 C THR E 164 54.525 39.475 -1.156 1.00 17.58 C ATOM 1143 O THR E 164 53.470 39.666 -0.562 1.00 16.98 O ATOM 1144 CB THR E 164 54.325 36.999 -1.010 1.00 18.24 C ATOM 1145 OG1 THR E 164 55.046 37.004 0.230 1.00 17.67 O ATOM 1146 CG2 THR E 164 54.698 35.621 -1.683 1.00 18.76 C ATOM 1147 N VAL E 165 55.484 40.383 -1.244 1.00 17.56 N ATOM 1148 CA VAL E 165 55.299 41.717 -0.667 1.00 16.65 C ATOM 1149 C VAL E 165 54.213 42.455 -1.444 1.00 18.34 C ATOM 1150 O VAL E 165 54.260 42.535 -2.690 1.00 19.47 O ATOM 1151 CB VAL E 165 56.658 42.491 -0.708 1.00 16.18 C ATOM 1152 CG1 VAL E 165 56.448 43.951 -0.236 1.00 15.12 C ATOM 1153 CG2 VAL E 165 57.729 41.761 0.080 1.00 16.73 C ATOM 1154 N GLY E 166 53.229 43.027 -0.744 1.00 16.92 N ATOM 1155 CA GLY E 166 52.207 43.770 -1.429 1.00 17.14 C ATOM 1156 C GLY E 166 52.536 45.258 -1.551 1.00 16.89 C ATOM 1157 O GLY E 166 53.595 45.709 -1.100 1.00 16.23 O ATOM 1158 N TYR E 167 51.596 45.995 -2.141 1.00 16.00 N ATOM 1159 CA TYR E 167 51.745 47.433 -2.397 1.00 16.92 C ATOM 1160 C TYR E 167 50.950 48.195 -1.326 1.00 15.90 C ATOM 1161 O TYR E 167 49.837 47.768 -0.945 1.00 15.60 O ATOM 1162 CB TYR E 167 51.113 47.760 -3.755 1.00 16.85 C ATOM 1163 CG TYR E 167 51.873 47.154 -4.924 1.00 18.62 C ATOM 1164 CD1 TYR E 167 52.926 47.840 -5.527 1.00 22.04 C ATOM 1165 CD2 TYR E 167 51.538 45.882 -5.402 1.00 23.32 C ATOM 1166 CE1 TYR E 167 53.643 47.273 -6.580 1.00 24.98 C ATOM 1167 CE2 TYR E 167 52.237 45.311 -6.487 1.00 23.20 C ATOM 1168 CZ TYR E 167 53.277 46.015 -7.066 1.00 26.49 C ATOM 1169 OH TYR E 167 53.971 45.435 -8.115 1.00 29.31 O ATOM 1170 N PRO E 168 51.414 49.366 -0.872 1.00 14.86 N ATOM 1171 CA PRO E 168 52.572 50.117 -1.398 1.00 14.07 C ATOM 1172 C PRO E 168 53.947 49.715 -0.872 1.00 13.42 C ATOM 1173 O PRO E 168 54.989 50.278 -1.310 1.00 13.07 O ATOM 1174 CB PRO E 168 52.210 51.568 -1.022 1.00 14.17 C ATOM 1175 CG PRO E 168 51.454 51.409 0.329 1.00 13.24 C ATOM 1176 CD PRO E 168 50.620 50.119 0.121 1.00 15.16 C ATOM 1177 N GLY E 169 53.997 48.741 0.057 1.00 13.52 N ATOM 1178 CA GLY E 169 55.274 48.309 0.597 1.00 13.23 C ATOM 1179 C GLY E 169 56.259 47.930 -0.504 1.00 14.91 C ATOM 1180 O GLY E 169 57.454 48.173 -0.378 1.00 14.88 O ATOM 1181 N LYS E 170 55.754 47.368 -1.612 1.00 14.84 N ATOM 1182 CA LYS E 170 56.645 46.840 -2.657 1.00 16.19 C ATOM 1183 C LYS E 170 57.367 47.944 -3.468 1.00 16.67 C ATOM 1184 O LYS E 170 58.377 47.667 -4.108 1.00 17.74 O ATOM 1185 CB LYS E 170 55.839 45.921 -3.605 1.00 16.95 C ATOM 1186 CG LYS E 170 56.732 45.016 -4.448 1.00 19.42 C ATOM 1187 CD LYS E 170 55.837 44.154 -5.385 1.00 21.05 C ATOM 1188 CE LYS E 170 56.668 43.037 -6.049 1.00 28.78 C ATOM 1189 NZ LYS E 170 55.763 42.126 -6.843 1.00 31.07 N ATOM 1190 N TYR E 171 56.870 49.183 -3.419 1.00 16.50 N ATOM 1191 CA TYR E 171 57.566 50.294 -4.090 1.00 16.07 C ATOM 1192 C TYR E 171 58.884 50.614 -3.412 1.00 17.59 C ATOM 1193 O TYR E 171 58.932 50.674 -2.158 1.00 17.29 O ATOM 1194 CB TYR E 171 56.666 51.529 -4.111 1.00 17.11 C ATOM 1195 CG TYR E 171 55.416 51.347 -4.920 1.00 17.35 C ATOM 1196 CD1 TYR E 171 55.478 50.908 -6.261 1.00 19.38 C ATOM 1197 CD2 TYR E 171 54.169 51.612 -4.377 1.00 17.13 C ATOM 1198 CE1 TYR E 171 54.314 50.733 -7.008 1.00 21.00 C ATOM 1199 CE2 TYR E 171 53.000 51.466 -5.126 1.00 18.12 C ATOM 1200 CZ TYR E 171 53.089 51.036 -6.443 1.00 19.61 C ATOM 1201 OH TYR E 171 51.919 50.864 -7.157 1.00 22.92 O ATOM 1202 N PRO E 172 59.952 50.821 -4.190 1.00 16.57 N ATOM 1203 CA PRO E 172 61.276 51.155 -3.638 1.00 15.96 C ATOM 1204 C PRO E 172 61.250 52.367 -2.689 1.00 15.51 C ATOM 1205 O PRO E 172 62.042 52.369 -1.723 1.00 14.70 O ATOM 1206 CB PRO E 172 62.103 51.485 -4.899 1.00 17.48 C ATOM 1207 CG PRO E 172 61.498 50.528 -5.945 1.00 18.80 C ATOM 1208 CD PRO E 172 60.009 50.657 -5.668 1.00 17.99 C ATOM 1209 N SER E 173 60.367 53.333 -2.930 1.00 15.04 N ATOM 1210 CA SER E 173 60.392 54.543 -2.070 1.00 14.83 C ATOM 1211 C SER E 173 59.846 54.305 -0.653 1.00 14.64 C ATOM 1212 O SER E 173 60.006 55.167 0.200 1.00 13.16 O ATOM 1213 CB SER E 173 59.643 55.720 -2.714 1.00 14.81 C ATOM 1214 OG SER E 173 58.272 55.404 -2.869 1.00 16.61 O ATOM 1215 N VAL E 174 59.191 53.159 -0.441 1.00 12.71 N ATOM 1216 CA VAL E 174 58.473 52.854 0.820 1.00 12.98 C ATOM 1217 C VAL E 174 59.259 51.798 1.570 1.00 13.32 C ATOM 1218 O VAL E 174 59.758 50.839 0.953 1.00 13.95 O ATOM 1219 CB VAL E 174 57.037 52.294 0.510 1.00 13.19 C ATOM 1220 CG1 VAL E 174 56.270 51.852 1.798 1.00 12.63 C ATOM 1221 CG2 VAL E 174 56.214 53.312 -0.261 1.00 13.10 C ATOM 1222 N ILE E 175 59.371 51.942 2.887 1.00 11.87 N ATOM 1223 CA ILE E 175 60.064 50.947 3.698 1.00 11.03 C ATOM 1224 C ILE E 175 59.059 49.848 4.012 1.00 11.88 C ATOM 1225 O ILE E 175 58.049 50.110 4.712 1.00 11.19 O ATOM 1226 CB ILE E 175 60.528 51.606 5.024 1.00 10.82 C ATOM 1227 CG1 ILE E 175 61.579 52.704 4.743 1.00 11.73 C ATOM 1228 CG2 ILE E 175 61.097 50.548 6.067 1.00 11.29 C ATOM 1229 CD1 ILE E 175 61.678 53.682 5.936 1.00 10.86 C ATOM 1230 N ALA E 176 59.307 48.646 3.464 1.00 11.18 N ATOM 1231 CA ALA E 176 58.382 47.507 3.681 1.00 11.72 C ATOM 1232 C ALA E 176 58.816 46.685 4.899 1.00 11.20 C ATOM 1233 O ALA E 176 59.978 46.268 5.021 1.00 11.37 O ATOM 1234 CB ALA E 176 58.328 46.596 2.412 1.00 12.08 C ATOM 1235 N VAL E 177 57.877 46.498 5.836 1.00 11.38 N ATOM 1236 CA VAL E 177 58.246 45.921 7.137 1.00 11.01 C ATOM 1237 C VAL E 177 57.590 44.567 7.331 1.00 12.00 C ATOM 1238 O VAL E 177 56.355 44.488 7.295 1.00 12.10 O ATOM 1239 CB VAL E 177 57.761 46.856 8.297 1.00 10.55 C ATOM 1240 CG1 VAL E 177 58.188 46.325 9.654 1.00 11.48 C ATOM 1241 CG2 VAL E 177 58.371 48.310 8.053 1.00 10.20 C ATOM 1242 N GLY E 178 58.420 43.546 7.573 1.00 11.82 N ATOM 1243 CA GLY E 178 57.918 42.206 7.920 1.00 12.30 C ATOM 1244 C GLY E 178 57.793 42.024 9.434 1.00 13.50 C ATOM 1245 O GLY E 178 58.220 42.883 10.230 1.00 11.52 O ATOM 1246 N ALA E 179 57.254 40.873 9.847 1.00 12.76 N ATOM 1247 CA ALA E 179 56.922 40.607 11.247 1.00 12.91 C ATOM 1248 C ALA E 179 57.744 39.477 11.811 1.00 13.03 C ATOM 1249 O ALA E 179 57.808 38.398 11.203 1.00 12.98 O ATOM 1250 CB ALA E 179 55.428 40.269 11.423 1.00 12.54 C ATOM 1251 N VAL E 180 58.308 39.710 12.999 1.00 11.50 N ATOM 1252 CA VAL E 180 58.920 38.640 13.787 1.00 11.75 C ATOM 1253 C VAL E 180 58.216 38.529 15.126 1.00 12.59 C ATOM 1254 O VAL E 180 57.445 39.409 15.514 1.00 11.93 O ATOM 1255 CB VAL E 180 60.455 38.837 14.077 1.00 12.38 C ATOM 1256 CG1 VAL E 180 61.295 38.714 12.792 1.00 10.94 C ATOM 1257 CG2 VAL E 180 60.734 40.194 14.822 1.00 12.55 C ATOM 1258 N ASP E 181 58.480 37.420 15.830 1.00 12.78 N ATOM 1259 CA ASP E 181 57.951 37.291 17.188 1.00 13.88 C ATOM 1260 C ASP E 181 59.029 37.651 18.223 1.00 14.26 C ATOM 1261 O ASP E 181 60.087 38.188 17.868 1.00 13.52 O ATOM 1262 CB ASP E 181 57.361 35.872 17.387 1.00 15.40 C ATOM 1263 CG ASP E 181 58.396 34.787 17.307 1.00 18.45 C ATOM 1264 OD1 ASP E 181 59.622 35.043 17.435 1.00 15.18 O ATOM 1265 OD2 ASP E 181 58.041 33.587 17.108 1.00 18.67 O ATOM 1266 N SER E 182 58.786 37.347 19.500 1.00 14.47 N ATOM 1267 CA SER E 182 59.673 37.795 20.580 1.00 16.04 C ATOM 1268 C SER E 182 61.008 37.046 20.604 1.00 16.94 C ATOM 1269 O SER E 182 61.935 37.440 21.328 1.00 18.40 O ATOM 1270 CB SER E 182 58.961 37.624 21.959 1.00 18.49 C ATOM 1271 OG SER E 182 58.734 36.217 22.207 1.00 18.35 O ATOM 1272 N SER E 183 61.096 35.967 19.822 1.00 16.95 N ATOM 1273 CA SER E 183 62.342 35.213 19.652 1.00 17.21 C ATOM 1274 C SER E 183 63.062 35.591 18.360 1.00 17.38 C ATOM 1275 O SER E 183 64.080 34.950 17.964 1.00 17.80 O ATOM 1276 CB SER E 183 62.050 33.685 19.660 1.00 18.60 C ATOM 1277 OG ASER E 183 61.385 33.306 20.865 0.50 16.57 O ATOM 1278 OG BSER E 183 61.411 33.317 18.461 0.50 20.09 O ATOM 1279 N ASN E 184 62.566 36.655 17.694 1.00 15.47 N ATOM 1280 CA ASN E 184 63.109 37.088 16.405 1.00 15.48 C ATOM 1281 C ASN E 184 62.894 36.098 15.260 1.00 16.48 C ATOM 1282 O ASN E 184 63.575 36.169 14.247 1.00 17.38 O ATOM 1283 CB ASN E 184 64.602 37.413 16.503 1.00 16.08 C ATOM 1284 CG ASN E 184 64.856 38.740 17.183 1.00 18.89 C ATOM 1285 OD1 ASN E 184 63.970 39.585 17.210 1.00 19.99 O ATOM 1286 ND2 ASN E 184 66.070 38.939 17.687 1.00 18.97 N ATOM 1287 N GLN E 185 61.943 35.183 15.415 1.00 16.69 N ATOM 1288 CA GLN E 185 61.581 34.274 14.328 1.00 18.00 C ATOM 1289 C GLN E 185 60.550 34.957 13.437 1.00 16.43 C ATOM 1290 O GLN E 185 59.586 35.532 13.930 1.00 15.85 O ATOM 1291 CB GLN E 185 60.914 33.008 14.901 1.00 19.84 C ATOM 1292 CG GLN E 185 61.854 31.944 15.348 1.00 29.24 C ATOM 1293 CD GLN E 185 62.534 31.267 14.166 1.00 38.76 C ATOM 1294 OE1 GLN E 185 61.865 30.679 13.291 1.00 43.14 O ATOM 1295 NE2 GLN E 185 63.866 31.374 14.115 1.00 42.31 N ATOM 1296 N ARG E 186 60.713 34.846 12.128 1.00 15.29 N ATOM 1297 CA ARG E 186 59.731 35.383 11.213 1.00 16.68 C ATOM 1298 C ARG E 186 58.378 34.728 11.509 1.00 16.86 C ATOM 1299 O ARG E 186 58.321 33.517 11.696 1.00 17.54 O ATOM 1300 CB ARG E 186 60.239 35.046 9.820 1.00 17.56 C ATOM 1301 CG ARG E 186 59.305 35.169 8.769 1.00 19.60 C ATOM 1302 CD ARG E 186 59.864 34.661 7.420 1.00 19.11 C ATOM 1303 NE ARG E 186 58.680 34.662 6.637 1.00 19.46 N ATOM 1304 CZ ARG E 186 57.834 33.642 6.531 1.00 19.50 C ATOM 1305 NH1 ARG E 186 58.122 32.441 7.023 1.00 20.68 N ATOM 1306 NH2 ARG E 186 56.728 33.835 5.866 1.00 18.26 N ATOM 1307 N ALA E 187 57.305 35.515 11.555 1.00 15.49 N ATOM 1308 CA ALA E 187 55.946 34.994 11.656 1.00 16.04 C ATOM 1309 C ALA E 187 55.627 34.241 10.365 1.00 16.66 C ATOM 1310 O ALA E 187 55.970 34.690 9.262 1.00 15.20 O ATOM 1311 CB ALA E 187 54.928 36.147 11.829 1.00 16.01 C ATOM 1312 N SER E 188 54.954 33.091 10.481 1.00 17.74 N ATOM 1313 CA SER E 188 54.688 32.313 9.239 1.00 18.70 C ATOM 1314 C SER E 188 53.934 33.087 8.158 1.00 18.22 C ATOM 1315 O SER E 188 54.102 32.808 6.986 1.00 19.86 O ATOM 1316 CB SER E 188 53.929 31.008 9.572 1.00 19.51 C ATOM 1317 OG SER E 188 52.671 31.348 10.156 1.00 24.22 O ATOM 1318 N PHE E 189 53.064 34.034 8.532 1.00 17.22 N ATOM 1319 CA PHE E 189 52.285 34.813 7.570 1.00 17.26 C ATOM 1320 C PHE E 189 53.094 35.964 6.939 1.00 15.44 C ATOM 1321 O PHE E 189 52.647 36.571 5.977 1.00 16.86 O ATOM 1322 CB PHE E 189 50.996 35.384 8.220 1.00 16.89 C ATOM 1323 CG PHE E 189 51.256 36.247 9.441 1.00 16.68 C ATOM 1324 CD1 PHE E 189 51.768 37.520 9.295 1.00 14.18 C ATOM 1325 CD2 PHE E 189 50.990 35.773 10.736 1.00 16.76 C ATOM 1326 CE1 PHE E 189 52.056 38.324 10.423 1.00 15.10 C ATOM 1327 CE2 PHE E 189 51.267 36.576 11.887 1.00 18.58 C ATOM 1328 CZ PHE E 189 51.779 37.837 11.729 1.00 16.16 C ATOM 1329 N SER E 190 54.256 36.300 7.498 1.00 15.79 N ATOM 1330 CA SER E 190 54.986 37.502 7.037 1.00 14.79 C ATOM 1331 C SER E 190 55.414 37.362 5.556 1.00 15.25 C ATOM 1332 O SER E 190 56.057 36.382 5.197 1.00 15.48 O ATOM 1333 CB SER E 190 56.192 37.781 7.971 1.00 14.04 C ATOM 1334 OG SER E 190 56.826 39.011 7.589 1.00 15.58 O ATOM 1335 N SER E 191 55.033 38.323 4.717 1.00 15.76 N ATOM 1336 CA SER E 191 55.440 38.367 3.310 1.00 15.49 C ATOM 1337 C SER E 191 56.940 38.357 3.136 1.00 16.06 C ATOM 1338 O SER E 191 57.698 38.750 4.044 1.00 16.46 O ATOM 1339 CB SER E 191 54.811 39.547 2.566 1.00 14.84 C ATOM 1340 OG SER E 191 53.433 39.329 2.293 1.00 15.96 O ATOM 1341 N VAL E 192 57.378 37.852 1.979 1.00 16.25 N ATOM 1342 CA VAL E 192 58.788 37.629 1.676 1.00 16.42 C ATOM 1343 C VAL E 192 59.118 38.182 0.304 1.00 16.85 C ATOM 1344 O VAL E 192 58.232 38.453 -0.509 1.00 17.07 O ATOM 1345 CB VAL E 192 59.199 36.124 1.736 1.00 17.70 C ATOM 1346 CG1 VAL E 192 59.063 35.620 3.178 1.00 16.97 C ATOM 1347 CG2 VAL E 192 58.330 35.308 0.731 1.00 17.57 C ATOM 1348 N GLY E 193 60.401 38.357 0.043 1.00 17.19 N ATOM 1349 CA GLY E 193 60.792 38.928 -1.246 1.00 18.46 C ATOM 1350 C GLY E 193 61.946 39.899 -1.120 1.00 19.06 C ATOM 1351 O GLY E 193 62.282 40.362 -0.040 1.00 18.76 O ATOM 1352 N PRO E 194 62.563 40.248 -2.243 1.00 19.24 N ATOM 1353 CA PRO E 194 63.710 41.155 -2.196 1.00 20.03 C ATOM 1354 C PRO E 194 63.279 42.577 -1.760 1.00 19.28 C ATOM 1355 O PRO E 194 64.130 43.339 -1.297 1.00 20.23 O ATOM 1356 CB PRO E 194 64.265 41.111 -3.623 1.00 19.94 C ATOM 1357 CG PRO E 194 63.175 40.622 -4.459 1.00 21.02 C ATOM 1358 CD PRO E 194 62.245 39.779 -3.611 1.00 20.52 C ATOM 1359 N GLU E 195 61.991 42.882 -1.855 1.00 18.72 N ATOM 1360 CA GLU E 195 61.448 44.184 -1.404 1.00 18.44 C ATOM 1361 C GLU E 195 61.271 44.274 0.116 1.00 17.85 C ATOM 1362 O GLU E 195 61.024 45.368 0.663 1.00 18.06 O ATOM 1363 CB GLU E 195 60.139 44.498 -2.118 1.00 18.54 C ATOM 1364 CG GLU E 195 60.255 44.424 -3.643 1.00 20.62 C ATOM 1365 CD GLU E 195 59.951 43.025 -4.187 1.00 25.36 C ATOM 1366 OE1 GLU E 195 59.744 42.060 -3.375 1.00 22.07 O ATOM 1367 OE2 GLU E 195 59.967 42.885 -5.445 1.00 28.51 O ATOM 1368 N LEU E 196 61.383 43.153 0.813 1.00 16.54 N ATOM 1369 CA LEU E 196 61.279 43.192 2.292 1.00 16.32 C ATOM 1370 C LEU E 196 62.484 43.945 2.822 1.00 16.11 C ATOM 1371 O LEU E 196 63.636 43.595 2.502 1.00 16.67 O ATOM 1372 CB LEU E 196 61.234 41.752 2.825 1.00 17.46 C ATOM 1373 CG LEU E 196 61.200 41.488 4.300 1.00 19.75 C ATOM 1374 CD1 LEU E 196 59.911 42.166 4.846 1.00 16.46 C ATOM 1375 CD2 LEU E 196 61.171 39.938 4.483 1.00 15.00 C ATOM 1376 N ASP E 197 62.255 45.009 3.612 1.00 13.05 N ATOM 1377 CA ASP E 197 63.373 45.840 3.991 1.00 13.06 C ATOM 1378 C ASP E 197 63.871 45.535 5.396 1.00 12.42 C ATOM 1379 O ASP E 197 65.043 45.204 5.603 1.00 13.12 O ATOM 1380 CB ASP E 197 62.950 47.309 3.869 1.00 13.54 C ATOM 1381 CG ASP E 197 64.124 48.256 3.945 1.00 15.79 C ATOM 1382 OD1 ASP E 197 65.294 47.801 3.881 1.00 14.91 O ATOM 1383 OD2 ASP E 197 63.953 49.498 4.061 1.00 18.72 O ATOM 1384 N VAL E 198 62.983 45.665 6.397 1.00 11.45 N ATOM 1385 CA VAL E 198 63.381 45.385 7.788 1.00 11.40 C ATOM 1386 C VAL E 198 62.244 44.631 8.469 1.00 10.76 C ATOM 1387 O VAL E 198 61.123 44.557 7.942 1.00 12.22 O ATOM 1388 CB VAL E 198 63.617 46.729 8.598 1.00 10.94 C ATOM 1389 CG1 VAL E 198 64.797 47.515 7.946 1.00 12.27 C ATOM 1390 CG2 VAL E 198 62.278 47.579 8.663 1.00 11.23 C ATOM 1391 N MET E 199 62.522 44.129 9.657 1.00 11.65 N ATOM 1392 CA MET E 199 61.508 43.426 10.421 1.00 11.85 C ATOM 1393 C MET E 199 61.257 44.165 11.734 1.00 10.82 C ATOM 1394 O MET E 199 62.148 44.844 12.254 1.00 10.26 O ATOM 1395 CB MET E 199 62.033 42.042 10.857 1.00 11.83 C ATOM 1396 CG MET E 199 62.497 41.121 9.691 1.00 14.23 C ATOM 1397 SD MET E 199 61.254 40.819 8.434 1.00 14.34 S ATOM 1398 CE MET E 199 60.456 39.296 9.131 1.00 14.60 C ATOM 1399 N ALA E 200 60.074 43.941 12.300 1.00 10.43 N ATOM 1400 CA ALA E 200 59.797 44.436 13.652 1.00 10.27 C ATOM 1401 C ALA E 200 58.768 43.495 14.284 1.00 10.89 C ATOM 1402 O ALA E 200 58.187 42.656 13.572 1.00 10.30 O ATOM 1403 CB ALA E 200 59.274 45.870 13.578 1.00 9.60 C ATOM 1404 N PRO E 201 58.543 43.599 15.592 1.00 11.55 N ATOM 1405 CA PRO E 201 57.610 42.690 16.285 1.00 11.29 C ATOM 1406 C PRO E 201 56.193 42.804 15.707 1.00 11.72 C ATOM 1407 O PRO E 201 55.643 43.922 15.595 1.00 11.24 O ATOM 1408 CB PRO E 201 57.646 43.199 17.718 1.00 11.82 C ATOM 1409 CG PRO E 201 59.109 43.710 17.854 1.00 10.35 C ATOM 1410 CD PRO E 201 59.228 44.506 16.545 1.00 11.14 C ATOM 1411 N GLY E 202 55.601 41.645 15.371 1.00 10.32 N ATOM 1412 CA GLY E 202 54.267 41.634 14.806 1.00 10.73 C ATOM 1413 C GLY E 202 53.431 40.452 15.289 1.00 12.20 C ATOM 1414 O GLY E 202 52.418 40.144 14.669 1.00 12.42 O ATOM 1415 N VAL E 203 53.843 39.839 16.388 1.00 11.62 N ATOM 1416 CA VAL E 203 53.067 38.717 16.962 1.00 12.57 C ATOM 1417 C VAL E 203 52.643 39.067 18.378 1.00 12.22 C ATOM 1418 O VAL E 203 53.486 39.400 19.192 1.00 11.93 O ATOM 1419 CB VAL E 203 53.919 37.427 16.920 1.00 13.03 C ATOM 1420 CG1 VAL E 203 53.176 36.230 17.572 1.00 14.30 C ATOM 1421 CG2 VAL E 203 54.278 37.106 15.448 1.00 14.63 C ATOM 1422 N SER E 204 51.347 38.928 18.661 1.00 11.95 N ATOM 1423 CA SER E 204 50.789 39.164 20.000 1.00 12.26 C ATOM 1424 C SER E 204 51.235 40.539 20.526 1.00 11.45 C ATOM 1425 O SER E 204 51.791 40.637 21.608 1.00 10.86 O ATOM 1426 CB SER E 204 51.259 38.100 20.990 1.00 14.69 C ATOM 1427 OG SER E 204 50.908 36.818 20.449 1.00 19.12 O ATOM 1428 N ILE E 205 50.938 41.561 19.742 1.00 10.98 N ATOM 1429 CA ILE E 205 51.321 42.933 20.083 1.00 10.25 C ATOM 1430 C ILE E 205 50.163 43.615 20.801 1.00 9.52 C ATOM 1431 O ILE E 205 49.107 43.866 20.233 1.00 11.33 O ATOM 1432 CB ILE E 205 51.656 43.725 18.778 1.00 8.56 C ATOM 1433 CG1 ILE E 205 52.776 43.014 17.978 1.00 9.97 C ATOM 1434 CG2 ILE E 205 52.023 45.218 19.091 1.00 10.23 C ATOM 1435 CD1 ILE E 205 54.083 42.742 18.792 1.00 10.28 C ATOM 1436 N GLN E 206 50.372 43.912 22.075 1.00 9.24 N ATOM 1437 CA GLN E 206 49.383 44.634 22.892 1.00 10.50 C ATOM 1438 C GLN E 206 49.355 46.113 22.542 1.00 10.72 C ATOM 1439 O GLN E 206 50.412 46.757 22.410 1.00 9.90 O ATOM 1440 CB GLN E 206 49.731 44.485 24.386 1.00 10.57 C ATOM 1441 CG GLN E 206 49.365 43.105 24.941 1.00 12.64 C ATOM 1442 CD GLN E 206 47.850 42.866 25.108 1.00 14.19 C ATOM 1443 OE1 GLN E 206 47.051 43.793 24.993 1.00 13.08 O ATOM 1444 NE2 GLN E 206 47.472 41.615 25.396 1.00 16.18 N ATOM 1445 N SER E 207 48.152 46.635 22.324 1.00 10.06 N ATOM 1446 CA SER E 207 48.015 48.069 22.057 1.00 10.30 C ATOM 1447 C SER E 207 46.570 48.520 22.383 1.00 10.43 C ATOM 1448 O SER E 207 45.748 47.730 22.856 1.00 10.53 O ATOM 1449 CB SER E 207 48.399 48.376 20.580 1.00 9.53 C ATOM 1450 OG SER E 207 48.413 49.766 20.381 1.00 10.61 O ATOM 1451 N THR E 208 46.287 49.785 22.104 1.00 11.42 N ATOM 1452 CA THR E 208 44.986 50.426 22.398 1.00 10.40 C ATOM 1453 C THR E 208 43.946 49.951 21.412 1.00 11.50 C ATOM 1454 O THR E 208 44.242 49.786 20.251 1.00 11.66 O ATOM 1455 CB THR E 208 45.143 51.958 22.219 1.00 10.99 C ATOM 1456 OG1 THR E 208 45.936 52.219 21.032 1.00 9.83 O ATOM 1457 CG2 THR E 208 46.013 52.515 23.365 1.00 9.55 C ATOM 1458 N LEU E 209 42.714 49.789 21.894 1.00 12.05 N ATOM 1459 CA LEU E 209 41.566 49.463 21.027 1.00 12.34 C ATOM 1460 C LEU E 209 40.436 50.418 21.407 1.00 12.04 C ATOM 1461 O LEU E 209 40.386 50.910 22.540 1.00 12.24 O ATOM 1462 CB LEU E 209 41.122 47.998 21.269 1.00 11.89 C ATOM 1463 CG LEU E 209 42.101 46.922 20.726 1.00 12.56 C ATOM 1464 CD1 LEU E 209 41.829 45.479 21.232 1.00 14.33 C ATOM 1465 CD2 LEU E 209 42.170 46.954 19.203 1.00 11.59 C ATOM 1466 N PRO E 210 39.502 50.656 20.494 1.00 12.82 N ATOM 1467 CA PRO E 210 38.426 51.626 20.746 1.00 13.42 C ATOM 1468 C PRO E 210 37.567 51.270 21.984 1.00 13.53 C ATOM 1469 O PRO E 210 37.423 50.088 22.386 1.00 14.36 O ATOM 1470 CB PRO E 210 37.625 51.607 19.440 1.00 13.47 C ATOM 1471 CG PRO E 210 38.645 51.089 18.375 1.00 13.22 C ATOM 1472 CD PRO E 210 39.423 50.064 19.142 1.00 12.27 C ATOM 1473 N GLY E 211 37.040 52.330 22.591 1.00 13.94 N ATOM 1474 CA GLY E 211 36.231 52.244 23.799 1.00 15.22 C ATOM 1475 C GLY E 211 37.068 51.904 25.012 1.00 14.71 C ATOM 1476 O GLY E 211 36.661 51.075 25.858 1.00 14.85 O ATOM 1477 N ASN E 212 38.258 52.516 25.075 1.00 14.23 N ATOM 1478 CA ASN E 212 39.122 52.385 26.227 1.00 14.62 C ATOM 1479 C ASN E 212 39.429 50.914 26.526 1.00 14.44 C ATOM 1480 O ASN E 212 39.310 50.428 27.666 1.00 15.34 O ATOM 1481 CB ASN E 212 38.520 53.091 27.456 1.00 15.82 C ATOM 1482 CG ASN E 212 39.495 53.134 28.616 1.00 17.42 C ATOM 1483 OD1 ASN E 212 40.694 53.104 28.405 1.00 17.74 O ATOM 1484 ND2 ASN E 212 38.973 53.144 29.851 1.00 20.52 N ATOM 1485 N LYS E 213 39.848 50.185 25.489 1.00 12.76 N ATOM 1486 CA LYS E 213 40.276 48.806 25.674 1.00 12.66 C ATOM 1487 C LYS E 213 41.724 48.629 25.208 1.00 11.82 C ATOM 1488 O LYS E 213 42.352 49.586 24.683 1.00 11.64 O ATOM 1489 CB LYS E 213 39.365 47.841 24.852 1.00 13.79 C ATOM 1490 CG LYS E 213 37.838 47.950 25.212 1.00 16.45 C ATOM 1491 CD LYS E 213 37.606 47.402 26.628 1.00 21.70 C ATOM 1492 CE LYS E 213 36.107 47.261 27.011 1.00 23.88 C ATOM 1493 NZ ALYS E 213 35.969 46.521 28.332 0.50 18.70 N ATOM 1494 NZ BLYS E 213 35.445 48.591 26.917 0.50 22.62 N ATOM 1495 N TYR E 214 42.252 47.423 25.423 1.00 11.18 N ATOM 1496 CA TYR E 214 43.605 47.045 24.970 1.00 11.39 C ATOM 1497 C TYR E 214 43.473 45.609 24.463 1.00 11.85 C ATOM 1498 O TYR E 214 42.574 44.868 24.906 1.00 12.50 O ATOM 1499 CB TYR E 214 44.616 47.079 26.125 1.00 10.76 C ATOM 1500 CG TYR E 214 44.684 48.444 26.758 1.00 10.09 C ATOM 1501 CD1 TYR E 214 45.537 49.437 26.237 1.00 11.87 C ATOM 1502 CD2 TYR E 214 43.840 48.780 27.852 1.00 11.04 C ATOM 1503 CE1 TYR E 214 45.573 50.710 26.802 1.00 12.18 C ATOM 1504 CE2 TYR E 214 43.871 50.073 28.407 1.00 13.58 C ATOM 1505 CZ TYR E 214 44.737 51.015 27.882 1.00 11.96 C ATOM 1506 OH TYR E 214 44.787 52.284 28.441 1.00 10.88 O ATOM 1507 N GLY E 215 44.346 45.209 23.567 1.00 11.44 N ATOM 1508 CA GLY E 215 44.353 43.834 23.129 1.00 10.98 C ATOM 1509 C GLY E 215 45.560 43.505 22.285 1.00 10.88 C ATOM 1510 O GLY E 215 46.215 44.401 21.712 1.00 10.86 O ATOM 1511 N ALA E 216 45.828 42.200 22.182 1.00 10.72 N ATOM 1512 CA ALA E 216 46.941 41.695 21.399 1.00 11.52 C ATOM 1513 C ALA E 216 46.533 41.346 19.967 1.00 12.44 C ATOM 1514 O ALA E 216 45.670 40.481 19.754 1.00 12.61 O ATOM 1515 CB ALA E 216 47.538 40.430 22.114 1.00 12.03 C ATOM 1516 N TYR E 217 47.142 42.033 18.991 1.00 12.14 N ATOM 1517 CA TYR E 217 46.881 41.761 17.568 1.00 12.12 C ATOM 1518 C TYR E 217 48.160 41.225 16.919 1.00 12.10 C ATOM 1519 O TYR E 217 49.278 41.333 17.477 1.00 11.93 O ATOM 1520 CB TYR E 217 46.435 43.034 16.830 1.00 12.09 C ATOM 1521 CG TYR E 217 44.985 43.429 16.911 1.00 11.45 C ATOM 1522 CD1 TYR E 217 44.145 42.895 17.872 1.00 13.03 C ATOM 1523 CD2 TYR E 217 44.458 44.345 16.001 1.00 12.09 C ATOM 1524 CE1 TYR E 217 42.808 43.252 17.939 1.00 12.85 C ATOM 1525 CE2 TYR E 217 43.102 44.737 16.042 1.00 13.16 C ATOM 1526 CZ TYR E 217 42.288 44.178 17.023 1.00 13.88 C ATOM 1527 OH TYR E 217 40.950 44.503 17.103 1.00 15.58 O ATOM 1528 N ASN E 218 47.986 40.587 15.746 1.00 11.97 N ATOM 1529 CA ASN E 218 49.069 39.987 14.960 1.00 12.65 C ATOM 1530 C ASN E 218 49.010 40.540 13.564 1.00 11.03 C ATOM 1531 O ASN E 218 47.931 40.880 13.073 1.00 13.10 O ATOM 1532 CB ASN E 218 48.923 38.438 14.876 1.00 12.40 C ATOM 1533 CG ASN E 218 48.799 37.811 16.246 1.00 15.74 C ATOM 1534 OD1 ASN E 218 49.775 37.618 16.941 1.00 18.15 O ATOM 1535 ND2 ASN E 218 47.562 37.524 16.661 1.00 22.10 N ATOM 1536 N GLY E 219 50.161 40.693 12.932 1.00 11.55 N ATOM 1537 CA GLY E 219 50.178 41.130 11.545 1.00 11.07 C ATOM 1538 C GLY E 219 51.402 41.942 11.203 1.00 11.40 C ATOM 1539 O GLY E 219 52.063 42.501 12.096 1.00 11.42 O ATOM 1540 N THR E 220 51.718 42.025 9.913 1.00 11.72 N ATOM 1541 CA THR E 220 52.700 43.044 9.511 1.00 11.37 C ATOM 1542 C THR E 220 52.117 44.427 9.775 1.00 11.44 C ATOM 1543 O THR E 220 52.872 45.398 9.862 1.00 11.14 O ATOM 1544 CB THR E 220 53.170 42.898 8.040 1.00 11.79 C ATOM 1545 OG1 THR E 220 52.054 42.813 7.140 1.00 11.87 O ATOM 1546 CG2 THR E 220 54.032 41.593 7.896 1.00 12.76 C ATOM 1547 N SER E 221 50.797 44.552 9.884 1.00 10.53 N ATOM 1548 CA SER E 221 50.208 45.829 10.359 1.00 10.77 C ATOM 1549 C SER E 221 50.763 46.301 11.721 1.00 10.85 C ATOM 1550 O SER E 221 50.807 47.501 11.987 1.00 11.26 O ATOM 1551 CB SER E 221 48.703 45.702 10.602 1.00 9.80 C ATOM 1552 OG SER E 221 48.007 45.858 9.359 1.00 10.34 O ATOM 1553 N MET E 222 51.091 45.336 12.568 1.00 9.96 N ATOM 1554 CA MET E 222 51.585 45.601 13.930 1.00 10.70 C ATOM 1555 C MET E 222 53.072 45.904 13.888 1.00 10.82 C ATOM 1556 O MET E 222 53.597 46.646 14.742 1.00 10.04 O ATOM 1557 CB MET E 222 51.321 44.389 14.856 1.00 10.90 C ATOM 1558 CG MET E 222 49.846 44.327 15.381 1.00 10.16 C ATOM 1559 SD MET E 222 48.556 44.147 14.063 1.00 12.35 S ATOM 1560 CE MET E 222 47.881 45.800 13.972 1.00 11.43 C ATOM 1561 N ALA E 223 53.768 45.321 12.908 1.00 10.60 N ATOM 1562 CA ALA E 223 55.214 45.530 12.794 1.00 11.01 C ATOM 1563 C ALA E 223 55.515 46.934 12.265 1.00 10.47 C ATOM 1564 O ALA E 223 56.394 47.627 12.774 1.00 10.52 O ATOM 1565 CB ALA E 223 55.821 44.479 11.829 1.00 11.38 C ATOM 1566 N SER E 224 54.794 47.335 11.227 1.00 9.97 N ATOM 1567 CA SER E 224 55.013 48.668 10.576 1.00 9.61 C ATOM 1568 C SER E 224 55.080 49.858 11.577 1.00 9.87 C ATOM 1569 O SER E 224 56.025 50.667 11.489 1.00 10.43 O ATOM 1570 CB SER E 224 53.935 48.901 9.500 1.00 10.83 C ATOM 1571 OG SER E 224 54.173 50.097 8.763 1.00 9.97 O ATOM 1572 N PRO E 225 54.129 50.012 12.494 1.00 9.26 N ATOM 1573 CA PRO E 225 54.167 51.178 13.403 1.00 8.35 C ATOM 1574 C PRO E 225 55.327 51.125 14.395 1.00 9.84 C ATOM 1575 O PRO E 225 55.668 52.176 14.921 1.00 9.74 O ATOM 1576 CB PRO E 225 52.813 51.108 14.154 1.00 8.95 C ATOM 1577 CG PRO E 225 52.404 49.594 14.025 1.00 8.85 C ATOM 1578 CD PRO E 225 52.866 49.251 12.650 1.00 8.78 C ATOM 1579 N HIS E 226 55.954 49.974 14.631 1.00 8.41 N ATOM 1580 CA HIS E 226 57.192 49.999 15.449 1.00 9.15 C ATOM 1581 C HIS E 226 58.239 50.814 14.679 1.00 9.04 C ATOM 1582 O HIS E 226 59.007 51.555 15.280 1.00 10.07 O ATOM 1583 CB HIS E 226 57.737 48.578 15.681 1.00 8.17 C ATOM 1584 CG HIS E 226 56.969 47.793 16.727 1.00 10.06 C ATOM 1585 ND1 HIS E 226 55.849 47.031 16.430 1.00 10.12 N ATOM 1586 CD2 HIS E 226 57.190 47.631 18.055 1.00 11.20 C ATOM 1587 CE1 HIS E 226 55.406 46.448 17.536 1.00 9.52 C ATOM 1588 NE2 HIS E 226 56.191 46.802 18.539 1.00 10.58 N ATOM 1589 N VAL E 227 58.288 50.605 13.358 1.00 10.34 N ATOM 1590 CA VAL E 227 59.284 51.297 12.514 1.00 9.48 C ATOM 1591 C VAL E 227 58.882 52.767 12.311 1.00 10.35 C ATOM 1592 O VAL E 227 59.749 53.641 12.316 1.00 9.51 O ATOM 1593 CB VAL E 227 59.456 50.540 11.153 1.00 9.71 C ATOM 1594 CG1 VAL E 227 60.458 51.243 10.240 1.00 9.75 C ATOM 1595 CG2 VAL E 227 59.938 49.107 11.446 1.00 10.55 C ATOM 1596 N ALA E 228 57.588 53.038 12.119 1.00 9.28 N ATOM 1597 CA ALA E 228 57.165 54.439 11.989 1.00 8.57 C ATOM 1598 C ALA E 228 57.468 55.167 13.312 1.00 9.26 C ATOM 1599 O ALA E 228 57.940 56.303 13.295 1.00 8.85 O ATOM 1600 CB ALA E 228 55.673 54.522 11.678 1.00 9.43 C ATOM 1601 N GLY E 229 57.113 54.545 14.444 1.00 8.75 N ATOM 1602 CA GLY E 229 57.487 55.126 15.747 1.00 8.98 C ATOM 1603 C GLY E 229 58.998 55.279 15.902 1.00 8.67 C ATOM 1604 O GLY E 229 59.494 56.306 16.439 1.00 8.69 O ATOM 1605 N ALA E 230 59.778 54.322 15.398 1.00 8.28 N ATOM 1606 CA ALA E 230 61.241 54.440 15.559 1.00 8.75 C ATOM 1607 C ALA E 230 61.744 55.638 14.742 1.00 9.04 C ATOM 1608 O ALA E 230 62.659 56.361 15.171 1.00 8.78 O ATOM 1609 CB ALA E 230 61.945 53.163 15.086 1.00 9.22 C ATOM 1610 N ALA E 231 61.137 55.840 13.583 1.00 9.07 N ATOM 1611 CA ALA E 231 61.497 56.989 12.739 1.00 9.16 C ATOM 1612 C ALA E 231 61.213 58.315 13.480 1.00 9.38 C ATOM 1613 O ALA E 231 61.990 59.281 13.383 1.00 9.13 O ATOM 1614 CB ALA E 231 60.675 56.956 11.435 1.00 9.15 C ATOM 1615 N ALA E 232 60.071 58.375 14.183 1.00 9.60 N ATOM 1616 CA ALA E 232 59.784 59.551 14.991 1.00 9.02 C ATOM 1617 C ALA E 232 60.777 59.744 16.141 1.00 9.38 C ATOM 1618 O ALA E 232 61.140 60.894 16.444 1.00 9.84 O ATOM 1619 CB ALA E 232 58.311 59.515 15.484 1.00 9.50 C ATOM 1620 N LEU E 233 61.168 58.669 16.856 1.00 9.89 N ATOM 1621 CA LEU E 233 62.228 58.802 17.887 1.00 8.55 C ATOM 1622 C LEU E 233 63.498 59.378 17.290 1.00 9.94 C ATOM 1623 O LEU E 233 64.101 60.284 17.869 1.00 10.62 O ATOM 1624 CB LEU E 233 62.598 57.432 18.518 1.00 8.80 C ATOM 1625 CG LEU E 233 61.433 56.863 19.363 1.00 10.04 C ATOM 1626 CD1 LEU E 233 61.907 55.468 19.856 1.00 7.01 C ATOM 1627 CD2 LEU E 233 61.125 57.817 20.556 1.00 10.15 C ATOM 1628 N ILE E 234 63.928 58.807 16.169 1.00 9.42 N ATOM 1629 CA ILE E 234 65.144 59.259 15.510 1.00 9.29 C ATOM 1630 C ILE E 234 65.083 60.751 15.166 1.00 10.09 C ATOM 1631 O ILE E 234 66.049 61.490 15.415 1.00 10.35 O ATOM 1632 CB ILE E 234 65.418 58.403 14.255 1.00 8.14 C ATOM 1633 CG1 ILE E 234 65.789 56.996 14.727 1.00 8.32 C ATOM 1634 CG2 ILE E 234 66.607 58.991 13.447 1.00 11.97 C ATOM 1635 CD1 ILE E 234 65.705 55.942 13.592 1.00 9.64 C ATOM 1636 N LEU E 235 63.963 61.159 14.578 1.00 8.36 N ATOM 1637 CA LEU E 235 63.795 62.557 14.171 1.00 10.27 C ATOM 1638 C LEU E 235 63.723 63.453 15.408 1.00 11.24 C ATOM 1639 O LEU E 235 64.205 64.598 15.364 1.00 13.04 O ATOM 1640 CB LEU E 235 62.531 62.719 13.333 1.00 9.97 C ATOM 1641 CG LEU E 235 62.706 62.256 11.880 1.00 8.89 C ATOM 1642 CD1 LEU E 235 61.315 62.220 11.228 1.00 10.20 C ATOM 1643 CD2 LEU E 235 63.672 63.196 11.086 1.00 11.12 C ATOM 1644 N SER E 236 63.180 62.954 16.520 1.00 10.51 N ATOM 1645 CA SER E 236 63.168 63.812 17.726 1.00 11.09 C ATOM 1646 C SER E 236 64.582 64.007 18.281 1.00 11.33 C ATOM 1647 O SER E 236 64.875 65.070 18.887 1.00 13.17 O ATOM 1648 CB SER E 236 62.197 63.303 18.824 1.00 10.13 C ATOM 1649 OG SER E 236 62.620 62.090 19.453 1.00 9.67 O ATOM 1650 N LYS E 237 65.466 63.039 18.074 1.00 11.00 N ATOM 1651 CA LYS E 237 66.867 63.211 18.503 1.00 11.41 C ATOM 1652 C LYS E 237 67.690 63.966 17.429 1.00 12.10 C ATOM 1653 O LYS E 237 68.664 64.662 17.779 1.00 13.84 O ATOM 1654 CB LYS E 237 67.517 61.863 18.787 1.00 10.31 C ATOM 1655 CG LYS E 237 68.948 61.994 19.388 1.00 10.50 C ATOM 1656 CD LYS E 237 69.542 60.636 19.733 1.00 12.19 C ATOM 1657 CE LYS E 237 70.962 60.816 20.302 1.00 14.30 C ATOM 1658 NZ LYS E 237 71.551 59.469 20.556 1.00 16.56 N ATOM 1659 N HIS E 238 67.329 63.801 16.159 1.00 11.23 N ATOM 1660 CA HIS E 238 68.072 64.428 15.037 1.00 12.28 C ATOM 1661 C HIS E 238 67.089 65.164 14.125 1.00 12.16 C ATOM 1662 O HIS E 238 66.756 64.659 13.041 1.00 12.16 O ATOM 1663 CB HIS E 238 68.858 63.355 14.237 1.00 11.40 C ATOM 1664 CG HIS E 238 69.868 62.611 15.056 1.00 12.70 C ATOM 1665 ND1 HIS E 238 71.109 63.136 15.351 1.00 11.95 N ATOM 1666 CD2 HIS E 238 69.816 61.387 15.653 1.00 11.67 C ATOM 1667 CE1 HIS E 238 71.788 62.251 16.078 1.00 12.70 C ATOM 1668 NE2 HIS E 238 71.018 61.189 16.280 1.00 13.05 N ATOM 1669 N PRO E 239 66.538 66.297 14.567 1.00 13.64 N ATOM 1670 CA PRO E 239 65.414 66.910 13.840 1.00 14.83 C ATOM 1671 C PRO E 239 65.772 67.410 12.435 1.00 15.26 C ATOM 1672 O PRO E 239 64.878 67.646 11.653 1.00 17.71 O ATOM 1673 CB PRO E 239 64.968 68.101 14.737 1.00 16.40 C ATOM 1674 CG PRO E 239 65.665 67.933 16.017 1.00 18.34 C ATOM 1675 CD PRO E 239 66.856 67.019 15.821 1.00 14.00 C ATOM 1676 N ASN E 240 67.041 67.540 12.125 1.00 15.09 N ATOM 1677 CA ASN E 240 67.422 67.929 10.756 1.00 16.52 C ATOM 1678 C AASN E 240 67.722 66.806 9.833 0.50 15.56 C ATOM 1679 C BASN E 240 68.087 66.793 9.948 0.50 16.03 C ATOM 1680 O AASN E 240 67.969 67.080 8.636 0.50 15.58 O ATOM 1681 O BASN E 240 68.811 66.996 8.952 0.50 16.53 O ATOM 1682 CB AASN E 240 68.748 68.716 10.890 0.50 15.48 C ATOM 1683 CB BASN E 240 68.130 69.280 10.676 0.50 16.99 C ATOM 1684 CG AASN E 240 68.495 70.167 11.112 0.50 15.42 C ATOM 1685 CG BASN E 240 69.368 69.254 11.433 0.50 16.88 C ATOM 1686 OD1AASN E 240 67.454 70.640 10.716 0.50 13.90 O ATOM 1687 OD1BASN E 240 69.666 68.233 12.018 0.50 19.61 O ATOM 1688 ND2AASN E 240 69.401 70.873 11.785 0.50 10.88 N ATOM 1689 ND2BASN E 240 70.106 70.347 11.456 0.50 19.78 N ATOM 1690 N TRP E 241 67.794 65.568 10.362 1.00 15.08 N ATOM 1691 CA TRP E 241 68.046 64.411 9.485 1.00 14.44 C ATOM 1692 C TRP E 241 66.901 64.328 8.494 1.00 13.87 C ATOM 1693 O TRP E 241 65.734 64.542 8.836 1.00 14.83 O ATOM 1694 CB TRP E 241 68.106 63.086 10.250 1.00 13.70 C ATOM 1695 CG TRP E 241 69.430 62.857 10.883 1.00 13.77 C ATOM 1696 CD1 TRP E 241 70.498 63.763 10.975 1.00 14.71 C ATOM 1697 CD2 TRP E 241 69.862 61.670 11.531 1.00 13.10 C ATOM 1698 NE1 TRP E 241 71.557 63.168 11.622 1.00 13.81 N ATOM 1699 CE2 TRP E 241 71.198 61.884 11.972 1.00 13.66 C ATOM 1700 CE3 TRP E 241 69.251 60.417 11.798 1.00 13.39 C ATOM 1701 CZ2 TRP E 241 71.918 60.923 12.663 1.00 12.32 C ATOM 1702 CZ3 TRP E 241 69.980 59.457 12.474 1.00 10.44 C ATOM 1703 CH2 TRP E 241 71.301 59.721 12.926 1.00 12.77 C ATOM 1704 N THR E 242 67.245 64.048 7.244 1.00 12.84 N ATOM 1705 CA THR E 242 66.248 63.884 6.206 1.00 12.62 C ATOM 1706 C THR E 242 65.632 62.516 6.322 1.00 12.02 C ATOM 1707 O THR E 242 66.172 61.617 6.997 1.00 11.99 O ATOM 1708 CB THR E 242 66.937 63.896 4.809 1.00 13.22 C ATOM 1709 OG1 THR E 242 67.929 62.853 4.770 1.00 15.37 O ATOM 1710 CG2 THR E 242 67.708 65.210 4.619 1.00 15.30 C ATOM 1711 N ASN E 243 64.527 62.355 5.625 1.00 11.15 N ATOM 1712 CA ASN E 243 63.920 60.995 5.492 1.00 11.26 C ATOM 1713 C ASN E 243 64.940 59.983 4.938 1.00 11.84 C ATOM 1714 O ASN E 243 65.011 58.861 5.438 1.00 12.80 O ATOM 1715 CB ASN E 243 62.619 60.981 4.682 1.00 10.31 C ATOM 1716 CG ASN E 243 62.767 61.538 3.265 1.00 13.04 C ATOM 1717 OD1 ASN E 243 63.724 62.265 2.957 1.00 12.29 O ATOM 1718 ND2 ASN E 243 61.801 61.208 2.396 1.00 12.57 N ATOM 1719 N THR E 244 65.764 60.402 3.959 1.00 11.50 N ATOM 1720 CA THR E 244 66.824 59.524 3.431 1.00 12.46 C ATOM 1721 C THR E 244 67.704 59.010 4.535 1.00 12.87 C ATOM 1722 O THR E 244 68.005 57.810 4.602 1.00 13.40 O ATOM 1723 CB THR E 244 67.747 60.348 2.520 1.00 13.18 C ATOM 1724 OG1 THR E 244 66.930 61.023 1.571 1.00 13.89 O ATOM 1725 CG2 THR E 244 68.634 59.418 1.704 1.00 15.94 C ATOM 1726 N GLN E 245 68.088 59.926 5.430 1.00 11.85 N ATOM 1727 CA GLN E 245 68.970 59.590 6.532 1.00 13.64 C ATOM 1728 C GLN E 245 68.277 58.733 7.594 1.00 12.36 C ATOM 1729 O GLN E 245 68.909 57.813 8.189 1.00 13.43 O ATOM 1730 CB GLN E 245 69.558 60.860 7.154 1.00 13.71 C ATOM 1731 CG GLN E 245 70.298 60.618 8.457 1.00 18.54 C ATOM 1732 CD GLN E 245 71.611 59.790 8.364 1.00 24.43 C ATOM 1733 OE1 GLN E 245 72.127 59.329 9.404 1.00 23.72 O ATOM 1734 NE2 GLN E 245 72.151 59.622 7.155 1.00 19.52 N ATOM 1735 N VAL E 246 67.015 59.046 7.886 1.00 12.27 N ATOM 1736 CA VAL E 246 66.308 58.209 8.885 1.00 11.38 C ATOM 1737 C VAL E 246 66.176 56.780 8.358 1.00 11.28 C ATOM 1738 O VAL E 246 66.431 55.794 9.084 1.00 11.85 O ATOM 1739 CB VAL E 246 64.909 58.801 9.181 1.00 10.52 C ATOM 1740 CG1 VAL E 246 64.079 57.872 10.080 1.00 9.98 C ATOM 1741 CG2 VAL E 246 65.058 60.191 9.835 1.00 11.35 C ATOM 1742 N ARG E 247 65.806 56.668 7.090 1.00 11.48 N ATOM 1743 CA ARG E 247 65.639 55.357 6.474 1.00 11.45 C ATOM 1744 C ARG E 247 66.964 54.616 6.502 1.00 12.51 C ATOM 1745 O ARG E 247 67.037 53.438 6.950 1.00 12.75 O ATOM 1746 CB ARG E 247 65.138 55.520 5.021 1.00 11.91 C ATOM 1747 CG ARG E 247 65.157 54.179 4.283 1.00 12.20 C ATOM 1748 CD ARG E 247 64.301 54.208 3.040 1.00 12.58 C ATOM 1749 NE ARG E 247 64.300 52.883 2.411 1.00 14.99 N ATOM 1750 CZ ARG E 247 63.492 52.542 1.410 1.00 17.10 C ATOM 1751 NH1 ARG E 247 62.687 53.454 0.841 1.00 14.98 N ATOM 1752 NH2 ARG E 247 63.546 51.282 0.946 1.00 16.36 N ATOM 1753 N SER E 248 68.044 55.274 6.047 1.00 12.00 N ATOM 1754 CA SER E 248 69.347 54.578 6.132 1.00 12.87 C ATOM 1755 C SER E 248 69.739 54.213 7.553 1.00 12.80 C ATOM 1756 O SER E 248 70.335 53.167 7.748 1.00 12.39 O ATOM 1757 CB SER E 248 70.525 55.329 5.460 1.00 14.16 C ATOM 1758 OG ASER E 248 70.211 55.756 4.168 0.50 11.68 O ATOM 1759 OG BSER E 248 70.679 56.595 5.959 0.50 14.49 O ATOM 1760 N SER E 249 69.451 55.083 8.546 1.00 11.85 N ATOM 1761 CA SER E 249 69.872 54.775 9.889 1.00 11.70 C ATOM 1762 C SER E 249 69.196 53.489 10.375 1.00 11.32 C ATOM 1763 O SER E 249 69.838 52.695 11.061 1.00 11.87 O ATOM 1764 CB SER E 249 69.615 55.951 10.849 1.00 12.31 C ATOM 1765 OG ASER E 249 70.180 57.143 10.355 0.33 12.61 O ATOM 1766 OG BSER E 249 68.275 56.043 11.210 0.67 10.28 O ATOM 1767 N LEU E 250 67.951 53.299 9.984 1.00 11.64 N ATOM 1768 CA LEU E 250 67.200 52.102 10.451 1.00 11.51 C ATOM 1769 C LEU E 250 67.722 50.868 9.701 1.00 12.31 C ATOM 1770 O LEU E 250 67.928 49.804 10.293 1.00 12.92 O ATOM 1771 CB LEU E 250 65.718 52.297 10.162 1.00 11.54 C ATOM 1772 CG LEU E 250 65.016 53.238 11.170 1.00 12.52 C ATOM 1773 CD1 LEU E 250 63.712 53.798 10.599 1.00 14.13 C ATOM 1774 CD2 LEU E 250 64.830 52.483 12.510 1.00 10.98 C ATOM 1775 N GLU E 251 67.982 51.010 8.407 1.00 11.96 N ATOM 1776 CA GLU E 251 68.462 49.862 7.606 1.00 11.76 C ATOM 1777 C GLU E 251 69.857 49.418 7.995 1.00 12.42 C ATOM 1778 O GLU E 251 70.148 48.233 8.005 1.00 13.37 O ATOM 1779 CB GLU E 251 68.453 50.220 6.116 1.00 11.92 C ATOM 1780 CG GLU E 251 67.024 50.325 5.570 1.00 11.91 C ATOM 1781 CD GLU E 251 66.971 50.977 4.183 1.00 17.41 C ATOM 1782 OE1 GLU E 251 67.964 51.592 3.733 1.00 16.72 O ATOM 1783 OE2 GLU E 251 65.907 50.861 3.545 1.00 15.27 O ATOM 1784 N ASN E 252 70.711 50.386 8.334 1.00 11.65 N ATOM 1785 CA ASN E 252 72.135 50.165 8.535 1.00 11.60 C ATOM 1786 C ASN E 252 72.474 49.683 9.935 1.00 11.59 C ATOM 1787 O ASN E 252 73.657 49.371 10.225 1.00 12.27 O ATOM 1788 CB ASN E 252 72.890 51.471 8.261 1.00 11.15 C ATOM 1789 CG ASN E 252 72.874 51.874 6.779 1.00 12.24 C ATOM 1790 OD1 ASN E 252 73.409 52.974 6.442 1.00 15.95 O ATOM 1791 ND2 ASN E 252 72.207 51.107 5.929 1.00 10.39 N ATOM 1792 N THR E 253 71.468 49.633 10.828 1.00 10.98 N ATOM 1793 CA THR E 253 71.737 49.261 12.218 1.00 11.24 C ATOM 1794 C THR E 253 70.862 48.092 12.703 1.00 11.15 C ATOM 1795 O THR E 253 70.786 47.880 13.889 1.00 12.42 O ATOM 1796 CB THR E 253 71.533 50.445 13.203 1.00 11.53 C ATOM 1797 OG1 THR E 253 70.186 50.948 13.068 1.00 10.41 O ATOM 1798 CG2 THR E 253 72.442 51.637 12.766 1.00 11.36 C ATOM 1799 N THR E 254 70.160 47.433 11.790 1.00 11.38 N ATOM 1800 CA THR E 254 69.377 46.259 12.177 1.00 12.27 C ATOM 1801 C THR E 254 70.278 45.193 12.810 1.00 12.20 C ATOM 1802 O THR E 254 71.504 45.127 12.572 1.00 12.69 O ATOM 1803 CB THR E 254 68.747 45.590 10.946 1.00 12.21 C ATOM 1804 OG1 THR E 254 69.810 45.384 9.976 1.00 13.28 O ATOM 1805 CG2 THR E 254 67.666 46.463 10.274 1.00 11.04 C ATOM 1806 N THR E 255 69.659 44.338 13.618 1.00 11.75 N ATOM 1807 CA THR E 255 70.276 43.069 14.003 1.00 12.26 C ATOM 1808 C THR E 255 69.964 42.078 12.908 1.00 13.14 C ATOM 1809 O THR E 255 68.805 41.717 12.681 1.00 12.20 O ATOM 1810 CB THR E 255 69.696 42.643 15.339 1.00 12.09 C ATOM 1811 OG1 THR E 255 70.135 43.584 16.336 1.00 12.86 O ATOM 1812 CG2 THR E 255 70.295 41.270 15.823 1.00 12.70 C ATOM 1813 N LYS E 256 70.997 41.607 12.199 1.00 14.20 N ATOM 1814 CA LYS E 256 70.708 40.710 11.054 1.00 15.45 C ATOM 1815 C LYS E 256 70.191 39.368 11.597 1.00 16.13 C ATOM 1816 O LYS E 256 70.646 38.902 12.670 1.00 17.01 O ATOM 1817 CB LYS E 256 71.956 40.508 10.159 1.00 17.27 C ATOM 1818 CG LYS E 256 72.442 41.829 9.434 1.00 16.24 C ATOM 1819 CD LYS E 256 71.901 41.955 7.988 1.00 17.65 C ATOM 1820 CE LYS E 256 72.201 43.370 7.394 1.00 17.00 C ATOM 1821 NZ LYS E 256 72.452 43.402 5.860 1.00 14.63 N ATOM 1822 N LEU E 257 69.215 38.824 10.886 1.00 16.22 N ATOM 1823 CA LEU E 257 68.529 37.609 11.300 1.00 18.40 C ATOM 1824 C LEU E 257 68.895 36.587 10.205 1.00 21.03 C ATOM 1825 O LEU E 257 70.093 36.408 9.941 1.00 24.21 O ATOM 1826 CB LEU E 257 67.034 37.865 11.505 1.00 16.70 C ATOM 1827 CG LEU E 257 66.781 38.881 12.652 1.00 16.70 C ATOM 1828 CD1 LEU E 257 65.251 39.179 12.782 1.00 13.58 C ATOM 1829 CD2 LEU E 257 67.448 38.448 13.987 1.00 18.49 C ATOM 1830 N GLY E 258 67.941 35.973 9.538 1.00 22.88 N ATOM 1831 CA GLY E 258 68.285 35.066 8.445 1.00 23.92 C ATOM 1832 C GLY E 258 68.547 35.659 7.073 1.00 23.97 C ATOM 1833 O GLY E 258 68.889 36.847 6.899 1.00 23.94 O ATOM 1834 N ASP E 259 68.335 34.817 6.058 1.00 23.04 N ATOM 1835 CA ASP E 259 68.377 35.258 4.679 1.00 22.82 C ATOM 1836 C ASP E 259 67.476 36.456 4.426 1.00 21.17 C ATOM 1837 O ASP E 259 66.330 36.482 4.890 1.00 19.42 O ATOM 1838 CB ASP E 259 67.944 34.131 3.751 1.00 24.22 C ATOM 1839 CG ASP E 259 68.222 34.462 2.322 1.00 28.50 C ATOM 1840 OD1 ASP E 259 69.360 34.154 1.877 1.00 38.41 O ATOM 1841 OD2 ASP E 259 67.431 35.068 1.563 1.00 28.33 O ATOM 1842 N SER E 260 67.975 37.419 3.657 1.00 20.81 N ATOM 1843 CA SER E 260 67.235 38.661 3.405 1.00 20.65 C ATOM 1844 C SER E 260 65.933 38.473 2.642 1.00 20.24 C ATOM 1845 O SER E 260 65.034 39.289 2.720 1.00 18.16 O ATOM 1846 CB SER E 260 68.127 39.664 2.679 1.00 21.76 C ATOM 1847 OG SER E 260 68.504 39.126 1.430 1.00 24.80 O ATOM 1848 N PHE E 261 65.799 37.354 1.917 1.00 19.84 N ATOM 1849 CA PHE E 261 64.537 37.069 1.283 1.00 18.35 C ATOM 1850 C PHE E 261 63.417 36.930 2.314 1.00 17.60 C ATOM 1851 O PHE E 261 62.274 37.299 2.056 1.00 17.40 O ATOM 1852 CB PHE E 261 64.681 35.750 0.463 1.00 20.11 C ATOM 1853 CG PHE E 261 63.504 35.440 -0.385 1.00 19.43 C ATOM 1854 CD1 PHE E 261 63.397 35.985 -1.679 1.00 20.91 C ATOM 1855 CD2 PHE E 261 62.487 34.572 0.100 1.00 20.92 C ATOM 1856 CE1 PHE E 261 62.278 35.697 -2.486 1.00 21.72 C ATOM 1857 CE2 PHE E 261 61.370 34.278 -0.709 1.00 23.50 C ATOM 1858 CZ PHE E 261 61.271 34.843 -2.001 1.00 23.13 C ATOM 1859 N TYR E 262 63.766 36.396 3.484 1.00 17.38 N ATOM 1860 CA TYR E 262 62.764 36.113 4.537 1.00 18.07 C ATOM 1861 C TYR E 262 62.777 37.154 5.641 1.00 16.33 C ATOM 1862 O TYR E 262 61.770 37.348 6.303 1.00 16.05 O ATOM 1863 CB TYR E 262 63.032 34.752 5.176 1.00 17.94 C ATOM 1864 CG TYR E 262 62.886 33.631 4.163 1.00 23.54 C ATOM 1865 CD1 TYR E 262 61.614 33.143 3.795 1.00 25.08 C ATOM 1866 CD2 TYR E 262 64.019 33.080 3.551 1.00 26.79 C ATOM 1867 CE1 TYR E 262 61.479 32.119 2.831 1.00 28.26 C ATOM 1868 CE2 TYR E 262 63.888 32.059 2.578 1.00 29.56 C ATOM 1869 CZ TYR E 262 62.630 31.594 2.238 1.00 29.86 C ATOM 1870 OH TYR E 262 62.514 30.604 1.296 1.00 29.39 O ATOM 1871 N TYR E 263 63.925 37.786 5.827 1.00 15.86 N ATOM 1872 CA TYR E 263 64.086 38.699 6.976 1.00 14.56 C ATOM 1873 C TYR E 263 64.483 40.125 6.605 1.00 14.60 C ATOM 1874 O TYR E 263 64.727 40.928 7.515 1.00 14.63 O ATOM 1875 CB TYR E 263 65.146 38.124 7.921 1.00 14.38 C ATOM 1876 CG TYR E 263 64.652 36.934 8.711 1.00 15.02 C ATOM 1877 CD1 TYR E 263 64.048 37.123 9.957 1.00 15.01 C ATOM 1878 CD2 TYR E 263 64.829 35.623 8.241 1.00 19.70 C ATOM 1879 CE1 TYR E 263 63.594 36.029 10.737 1.00 16.62 C ATOM 1880 CE2 TYR E 263 64.378 34.523 8.987 1.00 18.80 C ATOM 1881 CZ TYR E 263 63.756 34.730 10.239 1.00 19.52 C ATOM 1882 OH TYR E 263 63.264 33.668 10.990 1.00 19.12 O ATOM 1883 N GLY E 264 64.615 40.437 5.314 1.00 14.91 N ATOM 1884 CA GLY E 264 65.260 41.697 4.921 1.00 15.14 C ATOM 1885 C GLY E 264 66.586 41.875 5.637 1.00 16.02 C ATOM 1886 O GLY E 264 67.367 40.910 5.831 1.00 16.06 O ATOM 1887 N LYS E 265 66.856 43.115 6.066 1.00 13.95 N ATOM 1888 CA LYS E 265 68.060 43.430 6.817 1.00 14.16 C ATOM 1889 C LYS E 265 68.051 42.995 8.288 1.00 12.69 C ATOM 1890 O LYS E 265 69.064 43.088 8.972 1.00 14.58 O ATOM 1891 CB LYS E 265 68.370 44.927 6.689 1.00 13.64 C ATOM 1892 CG LYS E 265 68.542 45.281 5.167 1.00 16.86 C ATOM 1893 CD LYS E 265 68.593 46.753 4.972 1.00 17.02 C ATOM 1894 CE LYS E 265 68.769 47.099 3.457 1.00 19.92 C ATOM 1895 NZ LYS E 265 67.592 46.691 2.558 1.00 21.98 N ATOM 1896 N GLY E 266 66.921 42.496 8.768 1.00 13.25 N ATOM 1897 CA GLY E 266 66.852 42.054 10.148 1.00 12.00 C ATOM 1898 C GLY E 266 65.943 42.949 11.002 1.00 12.01 C ATOM 1899 O GLY E 266 65.161 43.763 10.479 1.00 11.60 O ATOM 1900 N LEU E 267 66.096 42.790 12.308 1.00 11.67 N ATOM 1901 CA LEU E 267 65.263 43.492 13.288 1.00 11.15 C ATOM 1902 C LEU E 267 65.766 44.908 13.498 1.00 10.60 C ATOM 1903 O LEU E 267 66.936 45.106 13.768 1.00 10.84 O ATOM 1904 CB LEU E 267 65.344 42.761 14.631 1.00 12.43 C ATOM 1905 CG LEU E 267 64.647 43.472 15.797 1.00 10.86 C ATOM 1906 CD1 LEU E 267 63.095 43.395 15.653 1.00 11.66 C ATOM 1907 CD2 LEU E 267 65.115 42.801 17.101 1.00 13.10 C ATOM 1908 N ILE E 268 64.874 45.899 13.420 1.00 10.47 N ATOM 1909 CA ILE E 268 65.345 47.267 13.732 1.00 10.67 C ATOM 1910 C ILE E 268 65.810 47.412 15.166 1.00 11.24 C ATOM 1911 O ILE E 268 65.321 46.750 16.087 1.00 10.97 O ATOM 1912 CB ILE E 268 64.264 48.312 13.416 1.00 10.05 C ATOM 1913 CG1 ILE E 268 62.973 48.077 14.224 1.00 9.82 C ATOM 1914 CG2 ILE E 268 63.980 48.326 11.905 1.00 11.60 C ATOM 1915 CD1 ILE E 268 62.207 49.438 14.507 1.00 10.61 C ATOM 1916 N ASN E 269 66.744 48.338 15.348 1.00 10.56 N ATOM 1917 CA ASN E 269 67.331 48.638 16.621 1.00 10.38 C ATOM 1918 C ASN E 269 67.422 50.177 16.652 1.00 11.31 C ATOM 1919 O ASN E 269 68.326 50.778 16.079 1.00 10.48 O ATOM 1920 CB ASN E 269 68.715 47.965 16.728 1.00 10.54 C ATOM 1921 CG ASN E 269 69.513 48.455 17.942 1.00 10.17 C ATOM 1922 OD1 ASN E 269 69.102 49.415 18.633 1.00 11.89 O ATOM 1923 ND2 ASN E 269 70.640 47.754 18.255 1.00 11.36 N ATOM 1924 N VAL E 270 66.446 50.809 17.291 1.00 9.55 N ATOM 1925 CA VAL E 270 66.363 52.278 17.196 1.00 10.44 C ATOM 1926 C VAL E 270 67.480 52.927 18.067 1.00 11.25 C ATOM 1927 O VAL E 270 67.946 54.043 17.743 1.00 11.76 O ATOM 1928 CB VAL E 270 64.954 52.771 17.558 1.00 10.62 C ATOM 1929 CG1 VAL E 270 64.645 52.510 19.010 1.00 12.91 C ATOM 1930 CG2 VAL E 270 64.787 54.278 17.215 1.00 11.57 C ATOM 1931 N GLN E 271 67.950 52.236 19.109 1.00 10.59 N ATOM 1932 CA GLN E 271 69.118 52.750 19.851 1.00 11.58 C ATOM 1933 C GLN E 271 70.331 52.978 18.914 1.00 12.52 C ATOM 1934 O GLN E 271 70.948 54.058 18.905 1.00 12.28 O ATOM 1935 CB GLN E 271 69.489 51.813 21.000 1.00 12.54 C ATOM 1936 CG GLN E 271 70.706 52.307 21.799 1.00 14.47 C ATOM 1937 CD GLN E 271 71.070 51.340 22.934 1.00 15.93 C ATOM 1938 OE1 GLN E 271 70.865 50.121 22.795 1.00 18.53 O ATOM 1939 NE2 GLN E 271 71.569 51.877 24.069 1.00 17.31 N ATOM 1940 N ALA E 272 70.680 51.930 18.192 1.00 12.21 N ATOM 1941 CA ALA E 272 71.802 51.989 17.263 1.00 12.09 C ATOM 1942 C ALA E 272 71.517 52.955 16.111 1.00 12.02 C ATOM 1943 O ALA E 272 72.437 53.713 15.712 1.00 13.13 O ATOM 1944 CB ALA E 272 72.140 50.585 16.723 1.00 11.34 C ATOM 1945 N ALA E 273 70.262 52.981 15.618 1.00 11.36 N ATOM 1946 CA ALA E 273 69.887 53.869 14.509 1.00 9.82 C ATOM 1947 C ALA E 273 70.094 55.351 14.891 1.00 11.94 C ATOM 1948 O ALA E 273 70.451 56.202 14.031 1.00 12.00 O ATOM 1949 CB ALA E 273 68.420 53.650 14.116 1.00 10.46 C ATOM 1950 N ALA E 274 69.878 55.660 16.167 1.00 11.49 N ATOM 1951 CA ALA E 274 69.885 57.066 16.559 1.00 12.16 C ATOM 1952 C ALA E 274 71.261 57.562 17.013 1.00 13.12 C ATOM 1953 O ALA E 274 71.362 58.692 17.485 1.00 13.62 O ATOM 1954 CB ALA E 274 68.795 57.331 17.636 1.00 11.56 C ATOM 1955 N GLN E 275 72.295 56.721 16.870 1.00 12.85 N ATOM 1956 CA GLN E 275 73.690 57.111 17.115 1.00 14.43 C ATOM 1957 C GLN E 275 74.177 57.833 15.860 1.00 14.34 C ATOM 1958 O GLN E 275 73.529 57.742 14.827 1.00 15.11 O ATOM 1959 CB GLN E 275 74.544 55.878 17.395 1.00 15.27 C ATOM 1960 CG GLN E 275 74.219 55.242 18.793 1.00 18.67 C ATOM 1961 CD GLN E 275 74.428 56.242 19.944 1.00 27.27 C ATOM 1962 OE1 GLN E 275 73.492 56.940 20.392 1.00 34.14 O ATOM 1963 NE2 GLN E 275 75.662 56.339 20.400 1.00 34.14 N ATOM 1964 N AHIS E 276 75.296 58.546 15.895 0.50 14.40 N ATOM 1965 N BHIS E 276 75.320 58.540 16.015 0.50 14.50 N ATOM 1966 CA AHIS E 276 75.742 59.094 14.611 0.50 14.36 C ATOM 1967 CA BHIS E 276 76.054 59.229 14.933 0.50 15.12 C ATOM 1968 C AHIS E 276 76.362 58.015 13.730 0.50 15.74 C ATOM 1969 C BHIS E 276 76.546 58.253 13.866 0.50 16.03 C ATOM 1970 O AHIS E 276 76.086 57.918 12.525 0.50 15.99 O ATOM 1971 O BHIS E 276 76.370 58.493 12.665 0.50 16.36 O ATOM 1972 CB AHIS E 276 76.697 60.244 14.816 0.50 14.28 C ATOM 1973 CB BHIS E 276 77.301 59.966 15.484 0.50 14.74 C ATOM 1974 CG AHIS E 276 76.002 61.528 15.108 0.50 11.98 C ATOM 1975 CG BHIS E 276 77.003 61.000 16.528 0.50 15.25 C ATOM 1976 ND1AHIS E 276 76.062 62.118 16.350 0.50 11.85 N ATOM 1977 ND1BHIS E 276 76.104 62.016 16.320 0.50 15.34 N ATOM 1978 CD2AHIS E 276 75.196 62.315 14.339 0.50 8.62 C ATOM 1979 CD2BHIS E 276 77.484 61.173 17.785 0.50 15.64 C ATOM 1980 CE1AHIS E 276 75.359 63.238 16.323 0.50 8.04 C ATOM 1981 CE1BHIS E 276 76.049 62.786 17.391 0.50 14.90 C ATOM 1982 NE2AHIS E 276 74.829 63.375 15.116 0.50 12.29 N ATOM 1983 NE2BHIS E 276 76.856 62.281 18.307 0.50 17.86 N ATOM 1984 N HIS E 277 77.173 57.177 14.341 1.00 15.69 N ATOM 1985 CA HIS E 277 77.809 56.122 13.549 1.00 18.83 C ATOM 1986 C HIS E 277 77.011 54.834 13.578 1.00 17.08 C ATOM 1987 O HIS E 277 76.555 54.414 14.620 1.00 17.27 O ATOM 1988 CB HIS E 277 79.220 55.946 14.066 1.00 20.98 C ATOM 1989 CG HIS E 277 80.021 57.209 13.907 1.00 29.70 C ATOM 1990 ND1 HIS E 277 80.575 57.884 14.974 1.00 36.29 N ATOM 1991 CD2 HIS E 277 80.235 57.988 12.816 1.00 35.53 C ATOM 1992 CE1 HIS E 277 81.158 58.987 14.538 1.00 36.61 C ATOM 1993 NE2 HIS E 277 80.950 59.084 13.236 1.00 36.99 N ATOM 1994 N HIS E 278 76.791 54.261 12.410 1.00 16.40 N ATOM 1995 CA HIS E 278 75.855 53.142 12.283 1.00 15.19 C ATOM 1996 C HIS E 278 76.577 51.860 11.931 1.00 15.22 C ATOM 1997 O HIS E 278 77.439 51.859 11.049 1.00 16.14 O ATOM 1998 CB HIS E 278 74.825 53.464 11.196 1.00 15.16 C ATOM 1999 CG HIS E 278 74.009 54.682 11.523 1.00 15.32 C ATOM 2000 ND1 HIS E 278 73.739 55.674 10.605 1.00 17.48 N ATOM 2001 CD2 HIS E 278 73.439 55.075 12.689 1.00 15.73 C ATOM 2002 CE1 HIS E 278 73.030 56.629 11.194 1.00 18.46 C ATOM 2003 NE2 HIS E 278 72.805 56.269 12.447 1.00 16.13 N ATOM 2004 N HIS E 279 76.237 50.789 12.616 1.00 14.54 N ATOM 2005 CA HIS E 279 76.621 49.443 12.163 1.00 14.28 C ATOM 2006 C HIS E 279 75.596 48.477 12.719 1.00 14.22 C ATOM 2007 O HIS E 279 74.830 48.852 13.645 1.00 13.53 O ATOM 2008 CB HIS E 279 78.024 49.063 12.656 1.00 16.63 C ATOM 2009 CG HIS E 279 78.219 49.219 14.135 1.00 21.77 C ATOM 2010 ND1 HIS E 279 78.656 50.395 14.710 1.00 29.09 N ATOM 2011 CD2 HIS E 279 78.067 48.337 15.151 1.00 27.37 C ATOM 2012 CE1 HIS E 279 78.751 50.231 16.022 1.00 30.62 C ATOM 2013 NE2 HIS E 279 78.424 48.983 16.311 1.00 29.14 N ATOM 2014 N HIS E 280 75.579 47.284 12.151 1.00 13.15 N ATOM 2015 CA HIS E 280 74.685 46.214 12.595 1.00 14.27 C ATOM 2016 C HIS E 280 75.164 45.602 13.913 1.00 15.67 C ATOM 2017 O HIS E 280 76.378 45.490 14.167 1.00 15.15 O ATOM 2018 CB HIS E 280 74.624 45.133 11.532 1.00 14.62 C ATOM 2019 CG HIS E 280 74.056 45.614 10.238 1.00 15.58 C ATOM 2020 ND1 HIS E 280 72.705 45.860 10.076 1.00 14.42 N ATOM 2021 CD2 HIS E 280 74.645 45.912 9.053 1.00 14.37 C ATOM 2022 CE1 HIS E 280 72.483 46.282 8.842 1.00 13.80 C ATOM 2023 NE2 HIS E 280 73.642 46.298 8.188 1.00 13.40 N ATOM 2024 N HIS E 281 74.198 45.208 14.748 1.00 17.27 N ATOM 2025 CA HIS E 281 74.564 44.410 15.935 1.00 19.88 C ATOM 2026 C HIS E 281 74.084 42.994 15.796 1.00 20.81 C ATOM 2027 O HIS E 281 74.253 42.334 16.844 1.00 23.66 O ATOM 2028 CB HIS E 281 74.042 45.034 17.238 1.00 20.45 C ATOM 2029 CG HIS E 281 74.586 46.397 17.514 1.00 22.63 C ATOM 2030 ND1 HIS E 281 75.373 46.675 18.610 1.00 28.65 N ATOM 2031 CD2 HIS E 281 74.434 47.568 16.854 1.00 24.91 C ATOM 2032 CE1 HIS E 281 75.694 47.955 18.607 1.00 30.13 C ATOM 2033 NE2 HIS E 281 75.151 48.516 17.539 1.00 28.42 N ATOM 2034 OXT HIS E 281 73.584 42.527 14.740 1.00 20.71 O TER 2035 HIS E 281 ATOM 2036 N MET I 20 45.221 20.833 7.664 1.00 44.40 N ATOM 2037 CA MET I 20 44.305 22.004 7.772 1.00 43.66 C ATOM 2038 C MET I 20 44.312 22.849 6.486 1.00 41.63 C ATOM 2039 O MET I 20 45.350 23.414 6.088 1.00 42.23 O ATOM 2040 CB MET I 20 44.660 22.862 9.000 1.00 44.85 C ATOM 2041 CG MET I 20 43.482 23.674 9.569 1.00 47.26 C ATOM 2042 SD AMET I 20 43.743 24.205 11.282 0.50 49.42 S ATOM 2043 SD BMET I 20 42.089 22.626 10.074 0.50 48.56 S ATOM 2044 CE AMET I 20 45.325 25.142 11.123 0.50 48.99 C ATOM 2045 CE BMET I 20 41.338 22.278 8.475 0.50 48.03 C ATOM 2046 N LYS I 21 43.156 22.918 5.829 1.00 39.16 N ATOM 2047 CA LYS I 21 43.058 23.713 4.600 1.00 35.56 C ATOM 2048 C LYS I 21 43.043 25.178 4.981 1.00 32.60 C ATOM 2049 O LYS I 21 42.166 25.581 5.744 1.00 32.85 O ATOM 2050 CB LYS I 21 41.806 23.363 3.787 1.00 36.46 C ATOM 2051 CG LYS I 21 41.953 23.841 2.336 1.00 34.90 C ATOM 2052 CD LYS I 21 41.016 23.163 1.397 1.00 36.19 C ATOM 2053 CE LYS I 21 41.283 23.640 -0.008 1.00 34.79 C ATOM 2054 NZ LYS I 21 40.601 22.781 -0.989 1.00 41.71 N ATOM 2055 N THR I 22 44.005 25.957 4.472 1.00 29.08 N ATOM 2056 CA THR I 22 44.033 27.420 4.677 1.00 26.52 C ATOM 2057 C THR I 22 44.013 28.293 3.397 1.00 23.97 C ATOM 2058 O THR I 22 44.104 29.532 3.481 1.00 21.90 O ATOM 2059 CB THR I 22 45.270 27.841 5.497 1.00 26.82 C ATOM 2060 OG1 THR I 22 46.443 27.407 4.815 1.00 29.08 O ATOM 2061 CG2 THR I 22 45.322 27.096 6.857 1.00 29.67 C ATOM 2062 N GLU I 23 43.939 27.674 2.219 1.00 21.83 N ATOM 2063 CA GLU I 23 43.857 28.444 0.972 1.00 20.97 C ATOM 2064 C GLU I 23 42.942 27.658 0.045 1.00 18.37 C ATOM 2065 O GLU I 23 42.960 26.414 0.088 1.00 17.95 O ATOM 2066 CB GLU I 23 45.220 28.529 0.251 1.00 23.40 C ATOM 2067 CG GLU I 23 46.413 29.050 1.048 1.00 31.74 C ATOM 2068 CD GLU I 23 47.661 29.124 0.171 1.00 41.49 C ATOM 2069 OE1 GLU I 23 47.731 30.031 -0.690 1.00 44.11 O ATOM 2070 OE2 GLU I 23 48.562 28.257 0.316 1.00 45.41 O ATOM 2071 N TRP I 24 42.236 28.362 -0.841 1.00 16.20 N ATOM 2072 CA TRP I 24 41.249 27.709 -1.730 1.00 16.68 C ATOM 2073 C TRP I 24 41.432 28.145 -3.184 1.00 16.72 C ATOM 2074 O TRP I 24 40.571 28.811 -3.779 1.00 17.04 O ATOM 2075 CB TRP I 24 39.834 28.048 -1.278 1.00 16.15 C ATOM 2076 CG TRP I 24 39.430 27.398 0.034 1.00 16.96 C ATOM 2077 CD1 TRP I 24 38.714 26.248 0.190 1.00 17.04 C ATOM 2078 CD2 TRP I 24 39.710 27.877 1.358 1.00 15.01 C ATOM 2079 NE1 TRP I 24 38.503 25.988 1.529 1.00 16.74 N ATOM 2080 CE2 TRP I 24 39.103 26.969 2.271 1.00 17.24 C ATOM 2081 CE3 TRP I 24 40.348 29.027 1.869 1.00 15.39 C ATOM 2082 CZ2 TRP I 24 39.172 27.127 3.662 1.00 18.64 C ATOM 2083 CZ3 TRP I 24 40.435 29.181 3.256 1.00 16.81 C ATOM 2084 CH2 TRP I 24 39.841 28.237 4.138 1.00 17.22 C ATOM 2085 N PRO I 25 42.552 27.783 -3.805 1.00 18.01 N ATOM 2086 CA PRO I 25 42.784 28.237 -5.192 1.00 17.75 C ATOM 2087 C PRO I 25 41.732 27.718 -6.189 1.00 18.39 C ATOM 2088 O PRO I 25 41.471 28.384 -7.199 1.00 18.60 O ATOM 2089 CB PRO I 25 44.175 27.698 -5.523 1.00 18.58 C ATOM 2090 CG PRO I 25 44.338 26.519 -4.588 1.00 18.71 C ATOM 2091 CD PRO I 25 43.648 26.928 -3.286 1.00 18.65 C ATOM 2092 N GLU I 26 41.093 26.610 -5.849 1.00 18.25 N ATOM 2093 CA GLU I 26 40.081 26.007 -6.706 1.00 19.35 C ATOM 2094 C GLU I 26 38.816 26.899 -6.770 1.00 18.74 C ATOM 2095 O GLU I 26 37.967 26.700 -7.630 1.00 19.19 O ATOM 2096 CB GLU I 26 39.747 24.581 -6.209 1.00 20.63 C ATOM 2097 CG GLU I 26 38.982 24.546 -4.892 1.00 23.35 C ATOM 2098 CD GLU I 26 39.862 24.567 -3.618 1.00 26.29 C ATOM 2099 OE1 GLU I 26 41.080 24.855 -3.653 1.00 23.93 O ATOM 2100 OE2 GLU I 26 39.304 24.263 -2.564 1.00 29.85 O ATOM 2101 N LEU I 27 38.703 27.889 -5.877 1.00 16.44 N ATOM 2102 CA LEU I 27 37.498 28.747 -5.859 1.00 15.65 C ATOM 2103 C LEU I 27 37.604 29.985 -6.785 1.00 15.62 C ATOM 2104 O LEU I 27 36.624 30.695 -7.002 1.00 15.57 O ATOM 2105 CB LEU I 27 37.189 29.176 -4.421 1.00 14.21 C ATOM 2106 CG LEU I 27 36.602 28.040 -3.554 1.00 17.20 C ATOM 2107 CD1 LEU I 27 36.390 28.577 -2.103 1.00 16.15 C ATOM 2108 CD2 LEU I 27 35.252 27.436 -4.101 1.00 16.25 C ATOM 2109 N VAL I 28 38.790 30.266 -7.314 1.00 15.92 N ATOM 2110 CA VAL I 28 38.938 31.448 -8.164 1.00 16.17 C ATOM 2111 C VAL I 28 38.034 31.239 -9.397 1.00 15.91 C ATOM 2112 O VAL I 28 38.019 30.134 -9.962 1.00 16.39 O ATOM 2113 CB VAL I 28 40.395 31.657 -8.602 1.00 15.88 C ATOM 2114 CG1 VAL I 28 40.465 32.779 -9.644 1.00 16.56 C ATOM 2115 CG2 VAL I 28 41.279 32.020 -7.368 1.00 16.80 C ATOM 2116 N GLY I 29 37.273 32.262 -9.767 1.00 16.03 N ATOM 2117 CA GLY I 29 36.367 32.163 -10.920 1.00 17.31 C ATOM 2118 C GLY I 29 35.010 31.544 -10.592 1.00 17.93 C ATOM 2119 O GLY I 29 34.107 31.533 -11.436 1.00 18.42 O ATOM 2120 N LYS I 30 34.832 31.060 -9.372 1.00 16.68 N ATOM 2121 CA LYS I 30 33.502 30.619 -8.929 1.00 15.27 C ATOM 2122 C LYS I 30 32.704 31.773 -8.382 1.00 15.71 C ATOM 2123 O LYS I 30 33.248 32.824 -8.107 1.00 14.35 O ATOM 2124 CB LYS I 30 33.587 29.542 -7.836 1.00 15.99 C ATOM 2125 CG LYS I 30 34.328 28.263 -8.225 1.00 22.21 C ATOM 2126 CD LYS I 30 33.779 27.628 -9.443 1.00 30.35 C ATOM 2127 CE LYS I 30 34.535 26.304 -9.712 1.00 35.27 C ATOM 2128 NZ LYS I 30 33.883 25.198 -8.951 1.00 39.03 N ATOM 2129 N SER I 31 31.402 31.564 -8.202 1.00 13.83 N ATOM 2130 CA SER I 31 30.557 32.596 -7.593 1.00 12.99 C ATOM 2131 C SER I 31 30.943 32.797 -6.132 1.00 13.23 C ATOM 2132 O SER I 31 31.425 31.878 -5.463 1.00 12.51 O ATOM 2133 CB SER I 31 29.086 32.196 -7.623 1.00 12.63 C ATOM 2134 OG SER I 31 28.861 31.034 -6.793 1.00 13.30 O ATOM 2135 N VAL I 32 30.686 34.001 -5.629 1.00 12.33 N ATOM 2136 CA VAL I 32 30.883 34.265 -4.187 1.00 13.01 C ATOM 2137 C VAL I 32 30.031 33.310 -3.316 1.00 12.87 C ATOM 2138 O VAL I 32 30.464 32.891 -2.239 1.00 12.81 O ATOM 2139 CB VAL I 32 30.603 35.774 -3.822 1.00 13.31 C ATOM 2140 CG1 VAL I 32 29.109 36.113 -3.953 1.00 14.70 C ATOM 2141 CG2 VAL I 32 31.104 36.108 -2.379 1.00 12.64 C ATOM 2142 N GLU I 33 28.837 32.952 -3.793 1.00 11.87 N ATOM 2143 CA GLU I 33 27.963 32.039 -3.043 1.00 11.82 C ATOM 2144 C GLU I 33 28.604 30.672 -2.899 1.00 12.49 C ATOM 2145 O GLU I 33 28.639 30.110 -1.802 1.00 12.36 O ATOM 2146 CB GLU I 33 26.610 31.903 -3.756 1.00 11.82 C ATOM 2147 CG GLU I 33 25.788 33.197 -3.708 1.00 11.89 C ATOM 2148 CD GLU I 33 26.071 34.184 -4.854 1.00 13.78 C ATOM 2149 OE1 GLU I 33 26.935 33.925 -5.739 1.00 13.06 O ATOM 2150 OE2 GLU I 33 25.387 35.251 -4.874 1.00 15.93 O ATOM 2151 N GLU I 34 29.104 30.128 -3.998 1.00 12.19 N ATOM 2152 CA GLU I 34 29.711 28.796 -3.876 1.00 13.51 C ATOM 2153 C GLU I 34 30.967 28.864 -2.992 1.00 13.38 C ATOM 2154 O GLU I 34 31.221 27.960 -2.193 1.00 12.45 O ATOM 2155 CB GLU I 34 30.051 28.234 -5.260 1.00 14.52 C ATOM 2156 CG GLU I 34 30.733 26.880 -5.156 1.00 15.46 C ATOM 2157 CD GLU I 34 30.943 26.187 -6.493 1.00 23.71 C ATOM 2158 OE1 GLU I 34 30.310 26.560 -7.505 1.00 19.40 O ATOM 2159 OE2 GLU I 34 31.746 25.220 -6.499 1.00 25.54 O ATOM 2160 N ALA I 35 31.766 29.928 -3.157 1.00 12.61 N ATOM 2161 CA ALA I 35 32.955 30.072 -2.313 1.00 12.72 C ATOM 2162 C ALA I 35 32.597 30.062 -0.816 1.00 12.77 C ATOM 2163 O ALA I 35 33.264 29.385 -0.009 1.00 12.88 O ATOM 2164 CB ALA I 35 33.714 31.353 -2.692 1.00 13.63 C ATOM 2165 N LYS I 36 31.572 30.823 -0.426 1.00 12.98 N ATOM 2166 CA LYS I 36 31.169 30.873 0.999 1.00 12.65 C ATOM 2167 C LYS I 36 30.774 29.465 1.455 1.00 13.32 C ATOM 2168 O LYS I 36 31.115 29.036 2.553 1.00 12.46 O ATOM 2169 CB LYS I 36 29.984 31.773 1.248 1.00 13.66 C ATOM 2170 CG LYS I 36 30.317 33.295 1.073 1.00 19.12 C ATOM 2171 CD LYS I 36 28.990 34.082 1.286 1.00 24.60 C ATOM 2172 CE LYS I 36 29.183 35.567 1.070 1.00 32.83 C ATOM 2173 NZ LYS I 36 27.973 36.352 1.508 1.00 37.89 N ATOM 2174 N LYS I 37 30.014 28.767 0.615 1.00 12.30 N ATOM 2175 CA LYS I 37 29.514 27.457 1.024 1.00 11.72 C ATOM 2176 C LYS I 37 30.691 26.515 1.271 1.00 12.34 C ATOM 2177 O LYS I 37 30.741 25.816 2.290 1.00 13.91 O ATOM 2178 CB LYS I 37 28.610 26.862 -0.074 1.00 11.07 C ATOM 2179 CG LYS I 37 28.151 25.456 0.339 1.00 14.79 C ATOM 2180 CD LYS I 37 27.235 24.904 -0.722 1.00 19.92 C ATOM 2181 CE LYS I 37 26.793 23.503 -0.277 1.00 28.04 C ATOM 2182 NZ LYS I 37 25.477 23.114 -0.927 1.00 33.99 N ATOM 2183 N VAL I 38 31.632 26.509 0.342 1.00 13.54 N ATOM 2184 CA VAL I 38 32.787 25.611 0.402 1.00 13.54 C ATOM 2185 C VAL I 38 33.687 25.948 1.587 1.00 13.28 C ATOM 2186 O VAL I 38 34.084 25.072 2.374 1.00 13.22 O ATOM 2187 CB VAL I 38 33.593 25.648 -0.917 1.00 14.02 C ATOM 2188 CG1 VAL I 38 34.985 24.917 -0.745 1.00 16.87 C ATOM 2189 CG2 VAL I 38 32.796 24.971 -2.046 1.00 15.16 C ATOM 2190 N ILE I 39 33.973 27.232 1.765 1.00 12.38 N ATOM 2191 CA ILE I 39 34.816 27.605 2.878 1.00 12.91 C ATOM 2192 C ILE I 39 34.186 27.227 4.231 1.00 11.70 C ATOM 2193 O ILE I 39 34.873 26.715 5.128 1.00 14.00 O ATOM 2194 CB ILE I 39 35.136 29.119 2.784 1.00 13.41 C ATOM 2195 CG1 ILE I 39 36.206 29.340 1.685 1.00 14.65 C ATOM 2196 CG2 ILE I 39 35.686 29.629 4.147 1.00 12.99 C ATOM 2197 CD1 ILE I 39 36.129 30.734 1.071 1.00 15.94 C ATOM 2198 N LEU I 40 32.888 27.457 4.382 1.00 12.67 N ATOM 2199 CA LEU I 40 32.200 27.083 5.628 1.00 12.13 C ATOM 2200 C LEU I 40 32.119 25.560 5.882 1.00 13.17 C ATOM 2201 O LEU I 40 31.952 25.126 7.025 1.00 14.16 O ATOM 2202 CB LEU I 40 30.820 27.740 5.699 1.00 12.63 C ATOM 2203 CG LEU I 40 30.912 29.290 5.875 1.00 12.91 C ATOM 2204 CD1 LEU I 40 29.558 29.878 5.665 1.00 17.52 C ATOM 2205 CD2 LEU I 40 31.444 29.644 7.316 1.00 13.46 C ATOM 2206 N GLN I 41 32.200 24.752 4.828 1.00 12.50 N ATOM 2207 CA GLN I 41 32.329 23.297 5.025 1.00 12.15 C ATOM 2208 C GLN I 41 33.678 22.971 5.598 1.00 13.18 C ATOM 2209 O GLN I 41 33.806 22.103 6.492 1.00 14.21 O ATOM 2210 CB GLN I 41 32.155 22.551 3.707 1.00 12.57 C ATOM 2211 CG GLN I 41 30.754 22.648 3.202 1.00 11.56 C ATOM 2212 CD GLN I 41 30.486 21.820 1.945 1.00 18.19 C ATOM 2213 OE1 GLN I 41 29.318 21.530 1.663 1.00 17.25 O ATOM 2214 NE2 GLN I 41 31.535 21.504 1.157 1.00 19.04 N ATOM 2215 N ASP I 42 34.710 23.677 5.119 1.00 12.84 N ATOM 2216 CA ASP I 42 36.062 23.346 5.553 1.00 13.84 C ATOM 2217 C ASP I 42 36.397 23.983 6.869 1.00 14.47 C ATOM 2218 O ASP I 42 37.233 23.453 7.646 1.00 16.26 O ATOM 2219 CB ASP I 42 37.125 23.817 4.532 1.00 13.24 C ATOM 2220 CG ASP I 42 37.092 23.029 3.229 1.00 18.34 C ATOM 2221 OD1 ASP I 42 36.561 21.886 3.238 1.00 21.35 O ATOM 2222 OD2 ASP I 42 37.492 23.512 2.144 1.00 15.93 O ATOM 2223 N LYS I 43 35.799 25.137 7.120 1.00 13.05 N ATOM 2224 CA LYS I 43 36.135 25.967 8.276 1.00 14.67 C ATOM 2225 C LYS I 43 34.830 26.586 8.779 1.00 14.81 C ATOM 2226 O LYS I 43 34.513 27.744 8.474 1.00 14.63 O ATOM 2227 CB LYS I 43 37.145 27.050 7.796 1.00 14.90 C ATOM 2228 CG LYS I 43 37.663 27.988 8.895 1.00 17.18 C ATOM 2229 CD LYS I 43 38.666 29.011 8.246 1.00 19.15 C ATOM 2230 CE LYS I 43 39.163 30.087 9.228 1.00 20.68 C ATOM 2231 NZ LYS I 43 40.034 29.482 10.294 1.00 20.55 N ATOM 2232 N PRO I 44 34.004 25.807 9.482 1.00 13.84 N ATOM 2233 CA PRO I 44 32.658 26.264 9.851 1.00 15.28 C ATOM 2234 C PRO I 44 32.575 27.515 10.688 1.00 15.33 C ATOM 2235 O PRO I 44 31.546 28.189 10.631 1.00 15.94 O ATOM 2236 CB PRO I 44 32.084 25.070 10.664 1.00 15.66 C ATOM 2237 CG PRO I 44 32.828 23.904 10.118 1.00 15.34 C ATOM 2238 CD PRO I 44 34.242 24.397 9.870 1.00 14.93 C ATOM 2239 N ALA I 45 33.617 27.784 11.464 1.00 16.85 N ATOM 2240 CA ALA I 45 33.636 28.959 12.302 1.00 19.19 C ATOM 2241 C ALA I 45 34.216 30.172 11.588 1.00 19.69 C ATOM 2242 O ALA I 45 34.365 31.215 12.214 1.00 20.17 O ATOM 2243 CB ALA I 45 34.423 28.656 13.624 1.00 19.39 C ATOM 2244 N ALA I 46 34.507 30.068 10.283 1.00 18.77 N ATOM 2245 CA ALA I 46 35.095 31.197 9.531 1.00 17.89 C ATOM 2246 C ALA I 46 34.286 32.479 9.581 1.00 18.76 C ATOM 2247 O ALA I 46 33.063 32.473 9.417 1.00 16.82 O ATOM 2248 CB ALA I 46 35.347 30.809 8.056 1.00 17.16 C ATOM 2249 N GLN I 47 34.991 33.600 9.752 1.00 17.45 N ATOM 2250 CA GLN I 47 34.355 34.904 9.642 1.00 19.58 C ATOM 2251 C GLN I 47 34.632 35.402 8.260 1.00 18.79 C ATOM 2252 O GLN I 47 35.776 35.765 7.941 1.00 20.50 O ATOM 2253 CB GLN I 47 34.931 35.847 10.707 1.00 19.93 C ATOM 2254 CG AGLN I 47 34.831 35.244 12.098 0.50 21.29 C ATOM 2255 CG BGLN I 47 34.262 35.710 12.071 0.50 23.21 C ATOM 2256 CD AGLN I 47 33.385 34.944 12.499 0.50 25.62 C ATOM 2257 CD BGLN I 47 35.219 35.918 13.242 0.50 26.90 C ATOM 2258 OE1AGLN I 47 32.564 35.864 12.631 0.50 26.14 O ATOM 2259 OE1BGLN I 47 35.036 35.333 14.315 0.50 28.84 O ATOM 2260 NE2AGLN I 47 33.073 33.662 12.693 0.50 26.82 N ATOM 2261 NE2BGLN I 47 36.245 36.739 13.036 0.50 28.02 N ATOM 2262 N ILE I 48 33.613 35.380 7.407 1.00 18.09 N ATOM 2263 CA ILE I 48 33.828 35.666 6.001 1.00 18.65 C ATOM 2264 C ILE I 48 33.473 37.083 5.692 1.00 19.57 C ATOM 2265 O ILE I 48 32.373 37.533 6.034 1.00 21.13 O ATOM 2266 CB ILE I 48 33.006 34.675 5.086 1.00 18.88 C ATOM 2267 CG1 ILE I 48 33.594 33.265 5.252 1.00 18.65 C ATOM 2268 CG2 ILE I 48 33.055 35.131 3.611 1.00 18.88 C ATOM 2269 CD1 ILE I 48 32.818 32.140 4.536 1.00 18.33 C ATOM 2270 N ILE I 49 34.383 37.804 5.049 1.00 18.46 N ATOM 2271 CA ILE I 49 34.017 39.141 4.594 1.00 19.50 C ATOM 2272 C ILE I 49 34.241 39.257 3.105 1.00 18.62 C ATOM 2273 O ILE I 49 35.260 38.817 2.573 1.00 19.63 O ATOM 2274 CB ILE I 49 34.795 40.229 5.403 1.00 19.56 C ATOM 2275 CG1AILE I 49 34.142 41.610 5.189 0.50 20.75 C ATOM 2276 CG1BILE I 49 34.342 40.242 6.872 0.50 21.59 C ATOM 2277 CG2AILE I 49 36.277 40.154 5.116 0.50 17.11 C ATOM 2278 CG2BILE I 49 34.662 41.600 4.729 0.50 21.54 C ATOM 2279 CD1AILE I 49 34.854 42.779 5.906 0.50 22.20 C ATOM 2280 CD1BILE I 49 35.240 39.478 7.808 0.50 22.66 C ATOM 2281 N VAL I 50 33.284 39.846 2.428 1.00 18.36 N ATOM 2282 CA VAL I 50 33.369 39.994 1.002 1.00 18.43 C ATOM 2283 C VAL I 50 33.720 41.448 0.683 1.00 20.54 C ATOM 2284 O VAL I 50 33.085 42.362 1.202 1.00 19.64 O ATOM 2285 CB VAL I 50 32.041 39.612 0.336 1.00 19.24 C ATOM 2286 CG1 VAL I 50 32.102 39.835 -1.150 1.00 18.59 C ATOM 2287 CG2 VAL I 50 31.698 38.131 0.685 1.00 18.81 C ATOM 2288 N LEU I 51 34.736 41.626 -0.150 1.00 20.52 N ATOM 2289 CA LEU I 51 35.237 42.948 -0.551 1.00 21.88 C ATOM 2290 C LEU I 51 35.517 42.989 -2.045 1.00 21.81 C ATOM 2291 O LEU I 51 35.820 41.963 -2.675 1.00 20.39 O ATOM 2292 CB LEU I 51 36.541 43.283 0.234 1.00 21.74 C ATOM 2293 CG LEU I 51 36.507 43.258 1.782 1.00 26.90 C ATOM 2294 CD1 LEU I 51 37.903 43.342 2.400 1.00 26.66 C ATOM 2295 CD2 LEU I 51 35.571 44.347 2.386 1.00 28.53 C ATOM 2296 N PRO I 52 35.483 44.170 -2.664 1.00 22.45 N ATOM 2297 CA PRO I 52 35.805 44.243 -4.089 1.00 22.59 C ATOM 2298 C PRO I 52 37.301 43.987 -4.307 1.00 22.28 C ATOM 2299 O PRO I 52 38.131 44.422 -3.512 1.00 22.84 O ATOM 2300 CB PRO I 52 35.452 45.700 -4.470 1.00 23.26 C ATOM 2301 CG PRO I 52 34.737 46.256 -3.307 1.00 23.39 C ATOM 2302 CD PRO I 52 35.156 45.492 -2.089 1.00 23.95 C ATOM 2303 N VAL I 53 37.627 43.274 -5.367 1.00 22.07 N ATOM 2304 CA VAL I 53 39.010 43.064 -5.744 1.00 23.03 C ATOM 2305 C VAL I 53 39.570 44.465 -6.128 1.00 22.77 C ATOM 2306 O VAL I 53 38.812 45.341 -6.542 1.00 23.40 O ATOM 2307 CB VAL I 53 39.105 42.069 -6.907 1.00 23.44 C ATOM 2308 CG1 VAL I 53 38.566 42.661 -8.191 1.00 22.51 C ATOM 2309 CG2 VAL I 53 40.548 41.521 -7.077 1.00 23.84 C ATOM 2310 N GLY I 54 40.869 44.671 -5.931 1.00 23.78 N ATOM 2311 CA GLY I 54 41.477 45.953 -6.231 1.00 23.22 C ATOM 2312 C GLY I 54 41.172 46.997 -5.159 1.00 24.60 C ATOM 2313 O GLY I 54 41.143 48.205 -5.444 1.00 26.35 O ATOM 2314 N THR I 55 40.873 46.564 -3.941 1.00 22.62 N ATOM 2315 CA THR I 55 40.836 47.576 -2.869 1.00 22.00 C ATOM 2316 C THR I 55 42.044 47.345 -2.006 1.00 21.07 C ATOM 2317 O THR I 55 42.722 46.343 -2.137 1.00 20.00 O ATOM 2318 CB THR I 55 39.587 47.528 -2.040 1.00 22.79 C ATOM 2319 OG1 THR I 55 39.412 46.207 -1.550 1.00 23.63 O ATOM 2320 CG2 THR I 55 38.370 47.756 -2.931 1.00 24.23 C ATOM 2321 N ILE I 56 42.308 48.307 -1.136 1.00 19.15 N ATOM 2322 CA ILE I 56 43.420 48.212 -0.204 1.00 18.95 C ATOM 2323 C ILE I 56 42.791 47.834 1.138 1.00 17.30 C ATOM 2324 O ILE I 56 41.709 48.308 1.452 1.00 17.53 O ATOM 2325 CB ILE I 56 44.158 49.593 -0.164 1.00 19.44 C ATOM 2326 CG1 ILE I 56 44.863 49.838 -1.508 1.00 21.00 C ATOM 2327 CG2 ILE I 56 45.048 49.690 1.113 1.00 18.84 C ATOM 2328 CD1AILE I 56 45.848 51.036 -1.577 0.50 21.37 C ATOM 2329 CD1BILE I 56 46.235 49.274 -1.658 0.50 16.92 C ATOM 2330 N VAL I 57 43.456 46.960 1.914 1.00 16.02 N ATOM 2331 CA VAL I 57 42.855 46.468 3.162 1.00 15.47 C ATOM 2332 C VAL I 57 43.865 46.479 4.289 1.00 14.04 C ATOM 2333 O VAL I 57 45.078 46.519 4.059 1.00 14.42 O ATOM 2334 CB VAL I 57 42.337 44.996 3.019 1.00 15.92 C ATOM 2335 CG1 VAL I 57 41.135 44.948 1.951 1.00 17.23 C ATOM 2336 CG2 VAL I 57 43.485 44.042 2.623 1.00 14.93 C ATOM 2337 N THR I 58 43.362 46.395 5.503 1.00 14.08 N ATOM 2338 CA THR I 58 44.252 46.282 6.693 1.00 13.60 C ATOM 2339 C THR I 58 45.128 45.049 6.641 1.00 15.45 C ATOM 2340 O THR I 58 44.728 43.968 6.087 1.00 14.80 O ATOM 2341 CB THR I 58 43.383 46.190 7.981 1.00 14.54 C ATOM 2342 OG1 THR I 58 42.461 45.060 7.865 1.00 15.70 O ATOM 2343 CG2 THR I 58 42.519 47.420 8.158 1.00 13.89 C ATOM 2344 N MET I 59 46.345 45.163 7.191 1.00 12.94 N ATOM 2345 CA MET I 59 47.310 44.063 7.195 1.00 14.82 C ATOM 2346 C MET I 59 47.495 43.359 8.557 1.00 13.47 C ATOM 2347 O MET I 59 48.600 42.895 8.897 1.00 13.56 O ATOM 2348 CB MET I 59 48.661 44.532 6.595 1.00 14.55 C ATOM 2349 CG MET I 59 48.527 44.886 5.106 1.00 18.44 C ATOM 2350 SD MET I 59 48.425 43.285 4.205 1.00 21.46 S ATOM 2351 CE MET I 59 47.108 43.699 3.006 1.00 22.06 C ATOM 2352 N GLU I 60 46.411 43.241 9.314 1.00 13.91 N ATOM 2353 CA GLU I 60 46.436 42.376 10.489 1.00 13.43 C ATOM 2354 C GLU I 60 46.114 40.932 10.061 1.00 13.54 C ATOM 2355 O GLU I 60 45.551 40.685 8.972 1.00 13.81 O ATOM 2356 CB GLU I 60 45.523 42.894 11.604 1.00 13.70 C ATOM 2357 CG GLU I 60 44.049 42.440 11.644 1.00 15.59 C ATOM 2358 CD GLU I 60 43.161 43.062 10.566 1.00 15.67 C ATOM 2359 OE1 GLU I 60 43.634 43.338 9.436 1.00 16.36 O ATOM 2360 OE2 GLU I 60 41.955 43.242 10.818 1.00 16.59 O ATOM 2361 N TYR I 61 46.535 39.991 10.891 1.00 13.09 N ATOM 2362 CA TYR I 61 46.342 38.565 10.582 1.00 14.68 C ATOM 2363 C TYR I 61 45.347 37.984 11.577 1.00 16.02 C ATOM 2364 O TYR I 61 45.585 37.997 12.805 1.00 15.28 O ATOM 2365 CB TYR I 61 47.683 37.852 10.676 1.00 14.84 C ATOM 2366 CG TYR I 61 47.635 36.406 10.183 1.00 18.32 C ATOM 2367 CD1 TYR I 61 47.547 36.156 8.820 1.00 21.18 C ATOM 2368 CD2 TYR I 61 47.674 35.342 11.068 1.00 25.89 C ATOM 2369 CE1 TYR I 61 47.512 34.849 8.317 1.00 25.60 C ATOM 2370 CE2 TYR I 61 47.615 33.983 10.559 1.00 28.08 C ATOM 2371 CZ TYR I 61 47.534 33.785 9.191 1.00 29.76 C ATOM 2372 OH TYR I 61 47.481 32.513 8.630 1.00 35.34 O ATOM 2373 N ARG I 62 44.219 37.493 11.063 1.00 15.40 N ATOM 2374 CA ARG I 62 43.170 36.961 11.910 1.00 17.66 C ATOM 2375 C ARG I 62 42.955 35.528 11.417 1.00 19.16 C ATOM 2376 O ARG I 62 42.454 35.327 10.287 1.00 17.19 O ATOM 2377 CB ARG I 62 41.887 37.761 11.725 1.00 17.79 C ATOM 2378 CG ARG I 62 41.838 39.184 12.445 1.00 21.06 C ATOM 2379 CD ARG I 62 40.569 40.000 12.107 1.00 25.35 C ATOM 2380 NE ARG I 62 40.563 41.379 12.657 1.00 32.25 N ATOM 2381 CZ ARG I 62 40.013 41.696 13.823 1.00 35.20 C ATOM 2382 NH1 ARG I 62 39.458 40.730 14.565 1.00 36.61 N ATOM 2383 NH2 ARG I 62 40.016 42.957 14.260 1.00 34.38 N ATOM 2384 N ILE I 63 43.354 34.557 12.239 1.00 19.36 N ATOM 2385 CA ILE I 63 43.282 33.143 11.888 1.00 21.91 C ATOM 2386 C ILE I 63 41.813 32.687 11.650 1.00 20.81 C ATOM 2387 O ILE I 63 41.580 31.701 10.960 1.00 21.35 O ATOM 2388 CB ILE I 63 43.971 32.306 13.039 1.00 22.98 C ATOM 2389 CG1 ILE I 63 44.182 30.850 12.616 1.00 28.41 C ATOM 2390 CG2 ILE I 63 43.189 32.428 14.314 1.00 25.07 C ATOM 2391 CD1 ILE I 63 45.449 30.210 13.250 1.00 33.34 C ATOM 2392 N ASP I 64 40.838 33.417 12.183 1.00 20.76 N ATOM 2393 CA ASP I 64 39.421 33.066 12.000 1.00 21.87 C ATOM 2394 C ASP I 64 38.778 33.641 10.737 1.00 20.63 C ATOM 2395 O ASP I 64 37.645 33.292 10.397 1.00 21.79 O ATOM 2396 CB ASP I 64 38.591 33.505 13.212 1.00 23.37 C ATOM 2397 CG AASP I 64 38.712 34.994 13.506 0.50 24.58 C ATOM 2398 CG BASP I 64 39.110 32.962 14.515 0.50 26.19 C ATOM 2399 OD1AASP I 64 39.829 35.558 13.457 0.50 26.86 O ATOM 2400 OD1BASP I 64 39.175 31.718 14.639 0.50 30.02 O ATOM 2401 OD2AASP I 64 37.727 35.673 13.814 0.50 27.18 O ATOM 2402 OD2BASP I 64 39.450 33.692 15.486 0.50 30.06 O ATOM 2403 N ARG I 65 39.475 34.555 10.060 1.00 17.96 N ATOM 2404 CA ARG I 65 38.893 35.325 8.960 1.00 15.86 C ATOM 2405 C ARG I 65 39.274 34.699 7.634 1.00 15.07 C ATOM 2406 O ARG I 65 40.391 34.212 7.447 1.00 15.65 O ATOM 2407 CB ARG I 65 39.452 36.764 8.942 1.00 15.88 C ATOM 2408 CG ARG I 65 38.906 37.644 7.799 1.00 14.85 C ATOM 2409 CD ARG I 65 39.201 39.147 8.084 1.00 15.45 C ATOM 2410 NE ARG I 65 40.672 39.291 8.126 1.00 13.38 N ATOM 2411 CZ ARG I 65 41.277 40.426 8.555 1.00 15.08 C ATOM 2412 NH1 ARG I 65 40.518 41.466 8.873 1.00 15.65 N ATOM 2413 NH2 ARG I 65 42.608 40.491 8.612 1.00 17.26 N ATOM 2414 N VAL I 66 38.326 34.757 6.697 1.00 14.76 N ATOM 2415 CA VAL I 66 38.613 34.529 5.288 1.00 14.85 C ATOM 2416 C VAL I 66 37.967 35.641 4.469 1.00 15.32 C ATOM 2417 O VAL I 66 36.740 35.771 4.400 1.00 16.57 O ATOM 2418 CB VAL I 66 38.102 33.151 4.790 1.00 14.91 C ATOM 2419 CG1 VAL I 66 38.475 32.993 3.314 1.00 14.75 C ATOM 2420 CG2 VAL I 66 38.689 31.995 5.622 1.00 13.96 C ATOM 2421 N ARG I 67 38.793 36.493 3.888 1.00 14.96 N ATOM 2422 CA ARG I 67 38.286 37.525 3.008 1.00 15.95 C ATOM 2423 C ARG I 67 38.086 36.943 1.617 1.00 15.92 C ATOM 2424 O ARG I 67 38.934 36.192 1.122 1.00 15.70 O ATOM 2425 CB ARG I 67 39.293 38.635 2.878 1.00 17.52 C ATOM 2426 CG ARG I 67 39.479 39.449 4.114 1.00 24.79 C ATOM 2427 CD ARG I 67 40.166 40.751 3.749 1.00 33.09 C ATOM 2428 NE ARG I 67 40.343 41.714 4.828 1.00 34.43 N ATOM 2429 CZ ARG I 67 41.534 42.059 5.285 1.00 35.64 C ATOM 2430 NH1 ARG I 67 42.625 41.455 4.815 1.00 36.64 N ATOM 2431 NH2 ARG I 67 41.627 42.985 6.209 1.00 32.31 N ATOM 2432 N LEU I 68 36.985 37.339 0.978 1.00 15.28 N ATOM 2433 CA LEU I 68 36.729 36.959 -0.415 1.00 16.23 C ATOM 2434 C LEU I 68 36.729 38.221 -1.265 1.00 16.55 C ATOM 2435 O LEU I 68 35.946 39.150 -1.028 1.00 18.12 O ATOM 2436 CB LEU I 68 35.350 36.276 -0.547 1.00 15.36 C ATOM 2437 CG LEU I 68 35.212 34.977 0.238 1.00 16.87 C ATOM 2438 CD1 LEU I 68 33.788 34.405 0.105 1.00 16.92 C ATOM 2439 CD2 LEU I 68 36.269 33.970 -0.265 1.00 15.63 C ATOM 2440 N PHE I 69 37.619 38.239 -2.221 1.00 15.79 N ATOM 2441 CA PHE I 69 37.739 39.359 -3.141 1.00 17.48 C ATOM 2442 C PHE I 69 37.043 39.061 -4.448 1.00 16.08 C ATOM 2443 O PHE I 69 37.420 38.128 -5.139 1.00 15.58 O ATOM 2444 CB PHE I 69 39.217 39.671 -3.320 1.00 17.24 C ATOM 2445 CG PHE I 69 39.811 40.307 -2.071 1.00 23.94 C ATOM 2446 CD1 PHE I 69 39.608 41.683 -1.801 1.00 28.00 C ATOM 2447 CD2 PHE I 69 40.495 39.528 -1.117 1.00 26.55 C ATOM 2448 CE1 PHE I 69 40.124 42.274 -0.619 1.00 27.86 C ATOM 2449 CE2 PHE I 69 41.036 40.108 0.051 1.00 24.10 C ATOM 2450 CZ PHE I 69 40.832 41.493 0.304 1.00 25.21 C ATOM 2451 N VAL I 70 35.992 39.841 -4.715 1.00 16.11 N ATOM 2452 CA VAL I 70 35.157 39.628 -5.884 1.00 17.33 C ATOM 2453 C VAL I 70 35.306 40.676 -6.965 1.00 18.48 C ATOM 2454 O VAL I 70 35.595 41.852 -6.690 1.00 18.64 O ATOM 2455 CB VAL I 70 33.670 39.506 -5.483 1.00 16.42 C ATOM 2456 CG1 VAL I 70 33.464 38.228 -4.575 1.00 16.12 C ATOM 2457 CG2 VAL I 70 33.210 40.741 -4.733 1.00 18.28 C ATOM 2458 N ASP I 71 35.111 40.238 -8.189 1.00 18.99 N ATOM 2459 CA ASP I 71 35.055 41.162 -9.305 1.00 19.61 C ATOM 2460 C ASP I 71 33.661 41.791 -9.372 1.00 20.31 C ATOM 2461 O ASP I 71 32.854 41.614 -8.446 1.00 20.17 O ATOM 2462 CB ASP I 71 35.551 40.499 -10.583 1.00 18.96 C ATOM 2463 CG ASP I 71 34.640 39.339 -11.083 1.00 19.60 C ATOM 2464 OD1 ASP I 71 33.440 39.276 -10.729 1.00 19.58 O ATOM 2465 OD2 ASP I 71 35.080 38.471 -11.843 1.00 23.90 O ATOM 2466 N ARG I 72 33.407 42.616 -10.402 1.00 21.93 N ATOM 2467 CA ARG I 72 32.157 43.381 -10.432 1.00 23.23 C ATOM 2468 C ARG I 72 30.950 42.482 -10.764 1.00 22.97 C ATOM 2469 O ARG I 72 29.818 42.950 -10.615 1.00 22.91 O ATOM 2470 CB ARG I 72 32.227 44.545 -11.439 1.00 24.36 C ATOM 2471 CG ARG I 72 32.417 44.011 -12.826 1.00 29.21 C ATOM 2472 CD ARG I 72 32.370 45.020 -14.004 1.00 38.38 C ATOM 2473 NE ARG I 72 32.713 44.259 -15.207 1.00 43.45 N ATOM 2474 CZ ARG I 72 31.826 43.799 -16.093 1.00 46.56 C ATOM 2475 NH1 ARG I 72 30.527 44.082 -15.956 1.00 46.65 N ATOM 2476 NH2 ARG I 72 32.244 43.078 -17.132 1.00 46.96 N ATOM 2477 N LEU I 73 31.218 41.222 -11.144 1.00 20.94 N ATOM 2478 CA LEU I 73 30.177 40.187 -11.415 1.00 20.65 C ATOM 2479 C LEU I 73 29.881 39.324 -10.187 1.00 20.12 C ATOM 2480 O LEU I 73 28.981 38.475 -10.251 1.00 19.10 O ATOM 2481 CB LEU I 73 30.576 39.300 -12.602 1.00 20.60 C ATOM 2482 CG LEU I 73 30.933 39.936 -13.972 1.00 21.25 C ATOM 2483 CD1 LEU I 73 31.235 38.891 -15.037 1.00 21.93 C ATOM 2484 CD2 LEU I 73 29.788 40.880 -14.408 1.00 22.49 C ATOM 2485 N ASP I 74 30.595 39.565 -9.068 1.00 17.93 N ATOM 2486 CA ASP I 74 30.452 38.796 -7.823 1.00 18.27 C ATOM 2487 C ASP I 74 31.048 37.390 -7.950 1.00 16.80 C ATOM 2488 O ASP I 74 30.577 36.447 -7.289 1.00 15.22 O ATOM 2489 CB ASP I 74 28.995 38.725 -7.320 1.00 18.55 C ATOM 2490 CG ASP I 74 28.806 39.370 -5.951 1.00 20.25 C ATOM 2491 OD1 ASP I 74 29.758 40.013 -5.440 1.00 25.97 O ATOM 2492 OD2 ASP I 74 27.735 39.320 -5.300 1.00 19.06 O ATOM 2493 N ASN I 75 32.050 37.252 -8.802 1.00 15.91 N ATOM 2494 CA ASN I 75 32.833 36.017 -8.867 1.00 16.34 C ATOM 2495 C ASN I 75 34.173 36.224 -8.156 1.00 16.10 C ATOM 2496 O ASN I 75 34.657 37.350 -8.055 1.00 15.30 O ATOM 2497 CB ASN I 75 33.074 35.611 -10.302 1.00 15.59 C ATOM 2498 CG ASN I 75 31.785 35.318 -11.031 1.00 16.21 C ATOM 2499 OD1 ASN I 75 30.867 34.766 -10.438 1.00 14.69 O ATOM 2500 ND2 ASN I 75 31.706 35.713 -12.312 1.00 14.28 N ATOM 2501 N ILE I 76 34.755 35.134 -7.651 1.00 14.83 N ATOM 2502 CA ILE I 76 36.000 35.247 -6.881 1.00 14.60 C ATOM 2503 C ILE I 76 37.134 35.561 -7.835 1.00 15.13 C ATOM 2504 O ILE I 76 37.310 34.879 -8.871 1.00 16.01 O ATOM 2505 CB ILE I 76 36.280 33.884 -6.151 1.00 14.07 C ATOM 2506 CG1 ILE I 76 35.146 33.544 -5.150 1.00 10.11 C ATOM 2507 CG2 ILE I 76 37.701 33.891 -5.510 1.00 13.34 C ATOM 2508 CD1 ILE I 76 34.916 34.613 -4.025 1.00 12.69 C ATOM 2509 N ALA I 77 37.932 36.566 -7.477 1.00 16.19 N ATOM 2510 CA ALA I 77 38.925 37.106 -8.406 1.00 18.01 C ATOM 2511 C ALA I 77 40.352 36.898 -7.887 1.00 19.97 C ATOM 2512 O ALA I 77 41.312 37.212 -8.602 1.00 21.44 O ATOM 2513 CB ALA I 77 38.675 38.607 -8.608 1.00 18.54 C ATOM 2514 N GLN I 78 40.481 36.370 -6.674 1.00 17.95 N ATOM 2515 CA GLN I 78 41.783 36.189 -6.004 1.00 19.59 C ATOM 2516 C GLN I 78 41.678 34.915 -5.142 1.00 18.50 C ATOM 2517 O GLN I 78 40.590 34.617 -4.630 1.00 18.23 O ATOM 2518 CB GLN I 78 41.962 37.423 -5.115 1.00 20.58 C ATOM 2519 CG GLN I 78 43.215 37.564 -4.303 1.00 26.01 C ATOM 2520 CD GLN I 78 43.283 38.994 -3.760 1.00 30.64 C ATOM 2521 OE1 GLN I 78 43.131 39.947 -4.539 1.00 31.16 O ATOM 2522 NE2 GLN I 78 43.412 39.144 -2.440 1.00 26.92 N ATOM 2523 N VAL I 79 42.783 34.199 -4.941 1.00 16.94 N ATOM 2524 CA VAL I 79 42.736 32.969 -4.143 1.00 17.04 C ATOM 2525 C VAL I 79 42.307 33.305 -2.712 1.00 16.33 C ATOM 2526 O VAL I 79 43.013 34.067 -2.011 1.00 16.20 O ATOM 2527 CB VAL I 79 44.136 32.281 -4.100 1.00 17.06 C ATOM 2528 CG1 VAL I 79 44.118 31.095 -3.209 1.00 16.35 C ATOM 2529 CG2 VAL I 79 44.550 31.814 -5.517 1.00 18.79 C ATOM 2530 N PRO I 80 41.192 32.745 -2.227 1.00 14.97 N ATOM 2531 CA PRO I 80 40.851 32.958 -0.815 1.00 14.04 C ATOM 2532 C PRO I 80 41.875 32.278 0.096 1.00 14.39 C ATOM 2533 O PRO I 80 42.309 31.155 -0.166 1.00 13.03 O ATOM 2534 CB PRO I 80 39.490 32.255 -0.665 1.00 13.87 C ATOM 2535 CG PRO I 80 38.927 32.273 -2.134 1.00 13.23 C ATOM 2536 CD PRO I 80 40.171 31.944 -2.945 1.00 12.94 C ATOM 2537 N ARG I 81 42.206 32.953 1.185 1.00 15.12 N ATOM 2538 CA ARG I 81 43.070 32.337 2.200 1.00 16.29 C ATOM 2539 C ARG I 81 42.683 32.811 3.580 1.00 16.10 C ATOM 2540 O ARG I 81 42.048 33.848 3.753 1.00 16.42 O ATOM 2541 CB ARG I 81 44.545 32.672 1.952 1.00 18.10 C ATOM 2542 CG ARG I 81 44.908 34.136 2.107 1.00 22.77 C ATOM 2543 CD ARG I 81 46.419 34.417 2.472 1.00 28.65 C ATOM 2544 NE ARG I 81 46.662 35.865 2.427 1.00 33.60 N ATOM 2545 CZ ARG I 81 46.586 36.744 3.462 1.00 38.19 C ATOM 2546 NH1 ARG I 81 46.343 36.370 4.737 1.00 36.14 N ATOM 2547 NH2 ARG I 81 46.805 38.028 3.208 1.00 36.94 N ATOM 2548 N VAL I 82 43.073 32.038 4.577 1.00 15.18 N ATOM 2549 CA VAL I 82 42.844 32.468 5.958 1.00 15.00 C ATOM 2550 C VAL I 82 43.740 33.676 6.276 1.00 15.57 C ATOM 2551 O VAL I 82 44.867 33.747 5.802 1.00 15.27 O ATOM 2552 CB VAL I 82 43.144 31.284 6.929 1.00 15.83 C ATOM 2553 CG1AVAL I 82 43.322 31.758 8.356 0.67 16.49 C ATOM 2554 CG1BVAL I 82 42.364 30.032 6.514 0.33 14.56 C ATOM 2555 CG2AVAL I 82 42.058 30.192 6.810 0.67 15.04 C ATOM 2556 CG2BVAL I 82 44.605 30.984 7.058 0.33 13.35 C ATOM 2557 N GLY I 83 43.233 34.598 7.081 1.00 14.78 N ATOM 2558 CA GLY I 83 44.074 35.689 7.561 1.00 15.82 C ATOM 2559 C GLY I 83 43.350 36.992 7.634 1.00 15.96 C ATOM 2560 O GLY I 83 43.878 37.936 8.276 1.00 15.78 O ATOM 2561 OXT GLY I 83 42.235 37.151 7.064 1.00 15.65 O TER 2562 GLY I 83 HETATM 2563 CA CA E 520 50.307 54.677 28.741 1.00 11.89 CA HETATM 2564 NA NA E 521 59.626 49.127 -0.573 1.00 16.31 NA HETATM 2565 C1 CIT E 522 73.953 68.013 9.189 1.00 17.49 C HETATM 2566 O1 CIT E 522 75.085 67.522 9.100 1.00 15.59 O HETATM 2567 O2 CIT E 522 73.381 68.539 8.189 1.00 19.27 O HETATM 2568 C2 CIT E 522 73.258 67.969 10.525 1.00 14.45 C HETATM 2569 C3 CIT E 522 73.958 67.150 11.653 1.00 16.44 C HETATM 2570 O7 CIT E 522 75.450 67.391 12.133 1.00 13.14 O HETATM 2571 C4 CIT E 522 72.774 67.018 12.678 1.00 15.21 C HETATM 2572 C5 CIT E 522 72.834 65.815 13.624 1.00 16.72 C HETATM 2573 O3 CIT E 522 73.921 65.246 13.782 1.00 15.93 O HETATM 2574 O4 CIT E 522 71.807 65.400 14.207 1.00 14.10 O HETATM 2575 C6 CIT E 522 74.300 65.915 11.139 1.00 22.20 C HETATM 2576 O5 CIT E 522 75.565 65.644 11.288 1.00 11.83 O HETATM 2577 O6 CIT E 522 73.324 65.352 10.631 1.00 14.92 O HETATM 2578 C1 CIT E 523 74.073 62.567 6.997 1.00 37.45 C HETATM 2579 O1 CIT E 523 74.766 61.906 6.157 1.00 37.85 O HETATM 2580 O2 CIT E 523 73.449 63.589 6.580 1.00 32.98 O HETATM 2581 C2 CIT E 523 73.934 62.104 8.462 1.00 33.72 C HETATM 2582 C3 CIT E 523 75.126 62.373 9.400 1.00 31.68 C HETATM 2583 O7 CIT E 523 75.131 61.587 10.652 1.00 30.63 O HETATM 2584 C4 CIT E 523 76.447 62.632 8.650 1.00 28.66 C HETATM 2585 C5 CIT E 523 77.510 63.299 9.532 1.00 32.42 C HETATM 2586 O3 CIT E 523 77.709 62.999 10.741 1.00 30.95 O HETATM 2587 O4 CIT E 523 78.225 64.204 9.020 1.00 33.75 O HETATM 2588 C6 CIT E 523 74.879 63.613 10.077 1.00 30.67 C HETATM 2589 O5 CIT E 523 74.634 63.516 11.328 1.00 16.97 O HETATM 2590 O6 CIT E 523 74.990 64.631 9.356 1.00 20.87 O HETATM 2591 C1 CIT E 524 32.695 50.361 29.599 1.00 41.75 C HETATM 2592 O1 CIT E 524 32.725 50.799 30.768 1.00 36.50 O HETATM 2593 O2 CIT E 524 33.267 49.271 29.310 1.00 42.09 O HETATM 2594 C2 CIT E 524 32.013 51.170 28.529 1.00 42.05 C HETATM 2595 C3 CIT E 524 33.128 51.966 27.850 1.00 45.22 C HETATM 2596 O7 CIT E 524 33.943 51.029 27.068 1.00 43.62 O HETATM 2597 C4 CIT E 524 32.457 52.944 26.881 1.00 45.40 C HETATM 2598 C5 CIT E 524 33.457 53.952 26.368 1.00 47.27 C HETATM 2599 O3 CIT E 524 34.703 53.771 26.510 1.00 45.72 O HETATM 2600 O4 CIT E 524 33.024 54.989 25.809 1.00 48.33 O HETATM 2601 C6 CIT E 524 34.030 52.720 28.873 1.00 45.98 C HETATM 2602 O5 CIT E 524 35.067 52.164 29.383 1.00 45.36 O HETATM 2603 O6 CIT E 524 33.772 53.926 29.196 1.00 44.82 O HETATM 2604 C13 1PE E 525 60.533 57.890 30.112 1.00 16.35 C HETATM 2605 OH4 1PE E 525 60.661 59.297 29.952 1.00 18.51 O HETATM 2606 C14 1PE E 525 61.537 60.930 28.519 1.00 17.31 C HETATM 2607 C24 1PE E 525 60.894 59.542 28.571 1.00 18.04 C HETATM 2608 OH5 1PE E 525 60.504 61.879 28.844 1.00 20.82 O HETATM 2609 C15 1PE E 525 60.084 64.173 29.601 1.00 30.60 C HETATM 2610 C25 1PE E 525 61.097 63.199 28.994 1.00 24.49 C HETATM 2611 OH6 1PE E 525 58.979 64.313 28.675 1.00 38.53 O HETATM 2612 C16 1PE E 525 57.978 65.555 26.769 1.00 43.12 C HETATM 2613 C26 1PE E 525 59.231 65.225 27.582 1.00 41.56 C HETATM 2614 OH7 1PE E 525 56.829 65.501 27.616 1.00 45.90 O HETATM 2615 OH5 1PE E 526 61.374 69.500 1.894 1.00 54.57 O HETATM 2616 C12 1PE E 527 61.242 70.627 1.018 1.00 54.34 C HETATM 2617 C22 1PE E 527 60.105 70.364 0.032 1.00 52.84 C HETATM 2618 OH3 1PE E 527 58.917 70.205 0.806 1.00 51.31 O HETATM 2619 C13 1PE E 527 56.554 70.173 1.057 1.00 44.68 C HETATM 2620 C23 1PE E 527 57.703 70.415 0.085 1.00 48.11 C HETATM 2621 OH4 1PE E 527 56.906 69.120 1.954 1.00 40.04 O HETATM 2622 C14 1PE E 527 56.128 67.428 3.472 1.00 36.83 C HETATM 2623 C24 1PE E 527 55.799 68.730 2.759 1.00 39.06 C HETATM 2624 OH5 1PE E 527 57.016 67.722 4.543 1.00 34.47 O HETATM 2625 C15 1PE E 527 58.623 67.025 6.130 1.00 35.58 C HETATM 2626 C25 1PE E 527 57.637 66.568 5.086 1.00 34.01 C HETATM 2627 OH6 1PE E 527 59.838 67.349 5.476 1.00 37.28 O HETATM 2628 C16 1PE E 527 61.530 69.016 5.885 1.00 47.13 C HETATM 2629 C26 1PE E 527 60.811 67.778 6.420 1.00 41.29 C HETATM 2630 OH7 1PE E 527 61.672 68.943 4.460 1.00 48.96 O HETATM 2631 C22 1PE E 528 38.920 67.650 11.739 1.00 56.85 C HETATM 2632 OH3 1PE E 528 40.175 68.107 12.261 1.00 56.21 O HETATM 2633 C13 1PE E 528 41.388 69.257 14.019 1.00 53.69 C HETATM 2634 C23 1PE E 528 40.025 68.999 13.372 1.00 55.11 C HETATM 2635 OH4 1PE E 528 41.611 68.324 15.084 1.00 53.26 O HETATM 2636 C14 1PE E 528 42.394 67.845 17.359 1.00 50.26 C HETATM 2637 C24 1PE E 528 42.160 68.907 16.277 1.00 52.91 C HETATM 2638 OH5 1PE E 528 41.203 67.094 17.562 1.00 49.46 O HETATM 2639 C15 1PE E 528 40.194 64.931 17.868 1.00 49.91 C HETATM 2640 C25 1PE E 528 41.481 65.740 17.834 1.00 49.02 C HETATM 2641 OH6 1PE E 528 39.137 65.628 18.516 1.00 53.10 O HETATM 2642 C16 1PE E 528 37.370 65.330 20.149 1.00 56.22 C HETATM 2643 C26 1PE E 528 38.848 65.127 19.823 1.00 55.42 C HETATM 2644 OH7 1PE E 528 36.852 66.379 19.344 1.00 57.07 O HETATM 2645 O HOH E 529 52.747 42.785 23.284 1.00 9.54 O HETATM 2646 O HOH E 530 49.929 47.722 16.061 1.00 10.53 O HETATM 2647 O HOH E 531 52.352 48.266 20.928 1.00 9.38 O HETATM 2648 O HOH E 532 54.688 44.092 21.758 1.00 9.62 O HETATM 2649 O HOH E 533 49.651 63.595 19.497 1.00 13.32 O HETATM 2650 O HOH E 534 61.223 63.901 22.300 1.00 11.31 O HETATM 2651 O HOH E 535 48.350 52.575 9.122 1.00 11.55 O HETATM 2652 O HOH E 536 66.587 45.767 18.402 1.00 11.66 O HETATM 2653 O HOH E 537 67.716 49.685 13.084 1.00 12.36 O HETATM 2654 O HOH E 538 60.690 63.125 7.606 1.00 14.58 O HETATM 2655 O HOH E 539 52.317 50.503 22.457 1.00 9.80 O HETATM 2656 O HOH E 540 49.287 59.658 21.649 1.00 11.57 O HETATM 2657 O HOH E 541 53.328 60.757 26.260 1.00 11.47 O HETATM 2658 O HOH E 542 66.454 49.637 25.309 1.00 15.31 O HETATM 2659 O HOH E 543 58.704 45.171 27.795 1.00 15.11 O HETATM 2660 O HOH E 544 71.339 46.086 15.875 1.00 12.95 O HETATM 2661 O HOH E 545 54.726 46.736 20.990 1.00 9.95 O HETATM 2662 O HOH E 546 51.461 61.536 21.722 1.00 12.83 O HETATM 2663 O HOH E 547 68.518 43.789 18.462 1.00 15.48 O HETATM 2664 O HOH E 548 60.887 53.437 28.307 1.00 13.12 O HETATM 2665 O HOH E 549 54.500 66.245 19.508 1.00 14.02 O HETATM 2666 O HOH E 550 42.773 52.844 30.155 1.00 15.40 O HETATM 2667 O HOH E 551 43.800 56.317 10.858 1.00 12.81 O HETATM 2668 O HOH E 552 56.164 46.646 31.564 1.00 15.72 O HETATM 2669 O HOH E 553 70.762 51.568 3.698 1.00 15.33 O HETATM 2670 O HOH E 554 60.183 55.786 2.955 1.00 14.50 O HETATM 2671 O HOH E 555 67.514 63.689 1.241 1.00 14.82 O HETATM 2672 O HOH E 556 69.732 67.160 14.195 1.00 16.43 O HETATM 2673 O HOH E 557 51.900 47.413 1.867 1.00 15.01 O HETATM 2674 O HOH E 558 53.878 42.481 25.863 1.00 17.12 O HETATM 2675 O HOH E 559 62.035 57.359 4.276 1.00 14.66 O HETATM 2676 O HOH E 560 61.107 47.988 1.122 1.00 15.75 O HETATM 2677 O HOH E 561 42.816 50.990 31.951 1.00 18.33 O HETATM 2678 O HOH E 562 64.540 60.120 0.522 1.00 21.66 O HETATM 2679 O HOH E 563 62.599 56.279 0.558 1.00 20.47 O HETATM 2680 O HOH E 564 71.028 56.369 20.408 1.00 15.98 O HETATM 2681 O HOH E 565 36.474 44.044 26.979 1.00 17.41 O HETATM 2682 O HOH E 566 74.512 55.359 7.981 1.00 19.61 O HETATM 2683 O HOH E 567 40.182 43.866 24.362 1.00 19.72 O HETATM 2684 O HOH E 568 70.377 41.786 4.760 1.00 20.41 O HETATM 2685 O HOH E 569 36.610 52.925 10.828 1.00 20.99 O HETATM 2686 O HOH E 570 66.097 54.040 32.514 1.00 18.58 O HETATM 2687 O HOH E 571 56.160 60.973 26.224 1.00 18.19 O HETATM 2688 O HOH E 572 55.997 48.786 33.181 1.00 15.29 O HETATM 2689 O HOH E 573 75.034 52.287 15.470 1.00 21.85 O HETATM 2690 O HOH E 574 68.492 39.494 8.193 1.00 20.12 O HETATM 2691 O HOH E 575 51.230 44.756 1.430 1.00 22.40 O HETATM 2692 O HOH E 576 49.422 67.138 -1.485 1.00 22.81 O HETATM 2693 O HOH E 577 68.051 55.869 2.373 1.00 20.89 O HETATM 2694 O HOH E 578 71.604 53.756 2.449 1.00 21.33 O HETATM 2695 O HOH E 579 63.091 64.997 5.258 1.00 12.26 O HETATM 2696 O HOH E 580 70.392 62.816 3.538 1.00 22.52 O HETATM 2697 O HOH E 581 59.110 53.807 -5.581 1.00 17.54 O HETATM 2698 O HOH E 582 55.290 61.501 -7.827 1.00 22.89 O HETATM 2699 O HOH E 583 73.209 39.455 13.544 1.00 22.43 O HETATM 2700 O HOH E 584 72.230 48.887 20.487 1.00 20.81 O HETATM 2701 O HOH E 585 38.236 55.009 23.964 1.00 20.61 O HETATM 2702 O HOH E 586 36.203 55.091 17.783 1.00 19.41 O HETATM 2703 O HOH E 587 63.818 58.094 2.080 1.00 18.66 O HETATM 2704 O HOH E 588 71.953 64.752 4.229 1.00 23.34 O HETATM 2705 O HOH E 589 67.874 53.264 1.677 1.00 20.10 O HETATM 2706 O HOH E 590 37.354 57.380 27.155 1.00 23.58 O HETATM 2707 O HOH E 591 39.861 44.887 9.161 1.00 19.03 O HETATM 2708 O HOH E 592 53.025 47.221 34.806 1.00 22.80 O HETATM 2709 O HOH E 593 63.586 62.094 -1.106 1.00 26.77 O HETATM 2710 O HOH E 594 60.600 59.558 -4.387 1.00 23.03 O HETATM 2711 O HOH E 595 77.955 53.894 17.190 1.00 48.21 O HETATM 2712 O HOH E 596 48.074 58.361 34.053 1.00 25.65 O HETATM 2713 O HOH E 597 67.566 41.288 19.191 1.00 23.31 O HETATM 2714 O HOH E 598 58.935 37.670 6.225 1.00 16.82 O HETATM 2715 O HOH E 599 46.601 52.853 36.709 1.00 26.55 O HETATM 2716 O HOH E 600 50.440 61.946 -6.206 1.00 27.01 O HETATM 2717 O HOH E 601 60.937 63.509 25.474 1.00 19.91 O HETATM 2718 O HOH E 602 65.193 41.632 1.232 1.00 24.76 O HETATM 2719 O HOH E 603 73.827 41.998 12.553 1.00 20.38 O HETATM 2720 O HOH E 604 58.128 33.068 -1.613 1.00 26.50 O HETATM 2721 O HOH E 605 45.753 50.526 32.660 1.00 26.38 O HETATM 2722 O HOH E 606 54.895 43.980 29.047 1.00 28.47 O HETATM 2723 O HOH E 607 69.983 55.063 26.727 1.00 34.12 O HETATM 2724 O HOH E 608 66.014 43.022 21.379 1.00 25.40 O HETATM 2725 O HOH E 609 61.268 42.473 24.731 1.00 25.67 O HETATM 2726 O HOH E 610 72.019 65.474 8.187 1.00 29.21 O HETATM 2727 O HOH E 611 47.794 60.648 30.125 1.00 22.17 O HETATM 2728 O HOH E 612 55.954 36.903 20.353 1.00 22.43 O HETATM 2729 O HOH E 613 69.179 48.936 24.799 1.00 26.15 O HETATM 2730 O HOH E 614 66.122 56.943 1.132 1.00 25.34 O HETATM 2731 O HOH E 615 51.600 45.067 27.516 0.50 13.90 O HETATM 2732 O HOH E 616 57.196 68.600 9.170 1.00 24.01 O HETATM 2733 O HOH E 617 63.599 56.374 31.049 1.00 19.58 O HETATM 2734 O HOH E 618 40.091 48.327 29.194 1.00 23.19 O HETATM 2735 O HOH E 619 63.944 48.123 0.647 1.00 23.07 O HETATM 2736 O HOH E 620 47.159 54.842 -11.965 1.00 25.64 O HETATM 2737 O HOH E 621 67.100 50.501 27.833 1.00 25.04 O HETATM 2738 O HOH E 622 64.975 47.453 25.572 1.00 21.07 O HETATM 2739 O HOH E 623 40.067 54.313 -6.677 1.00 27.39 O HETATM 2740 O HOH E 624 35.623 44.378 24.332 1.00 27.36 O HETATM 2741 O HOH E 625 56.118 57.523 -9.605 1.00 25.67 O HETATM 2742 O HOH E 626 62.784 65.889 21.361 1.00 22.05 O HETATM 2743 O HOH E 627 44.475 68.436 11.478 1.00 22.42 O HETATM 2744 O HOH E 628 45.039 54.077 -8.528 1.00 26.83 O HETATM 2745 O HOH E 629 48.410 36.638 21.000 1.00 34.69 O HETATM 2746 O HOH E 630 48.952 60.205 -7.594 1.00 23.30 O HETATM 2747 O HOH E 631 51.425 64.052 23.419 1.00 30.64 O HETATM 2748 O HOH E 632 44.850 45.622 -4.752 1.00 42.21 O HETATM 2749 O HOH E 633 70.252 63.847 7.170 1.00 17.62 O HETATM 2750 O HOH E 634 71.723 60.297 4.412 1.00 30.37 O HETATM 2751 O HOH E 635 42.902 62.902 21.525 1.00 24.72 O HETATM 2752 O HOH E 636 66.141 49.665 1.181 1.00 28.42 O HETATM 2753 O HOH E 637 71.493 54.700 24.761 1.00 30.38 O HETATM 2754 O HOH E 638 64.438 63.918 0.975 1.00 30.50 O HETATM 2755 O HOH E 639 32.902 49.848 5.654 1.00 23.94 O HETATM 2756 O HOH E 640 38.437 60.333 -0.866 1.00 27.62 O HETATM 2757 O HOH E 641 57.597 55.245 31.348 1.00 15.71 O HETATM 2758 O HOH E 642 53.858 56.429 -11.068 1.00 24.41 O HETATM 2759 O HOH E 643 73.844 54.356 3.898 1.00 17.47 O HETATM 2760 O HOH E 644 64.952 45.642 0.576 1.00 29.58 O HETATM 2761 O HOH E 645 78.281 68.162 12.403 1.00 30.04 O HETATM 2762 O HOH E 646 35.094 55.389 21.912 1.00 32.70 O HETATM 2763 O HOH E 647 40.147 51.060 -5.621 1.00 28.72 O HETATM 2764 O HOH E 648 32.819 47.203 30.675 1.00 25.04 O HETATM 2765 O HOH E 649 58.595 45.572 30.709 1.00 24.57 O HETATM 2766 O HOH E 650 38.118 44.472 22.919 1.00 27.56 O HETATM 2767 O HOH E 651 37.885 65.212 7.350 1.00 24.75 O HETATM 2768 O HOH E 652 73.865 50.968 20.058 1.00 28.79 O HETATM 2769 O HOH E 653 75.545 51.074 17.710 1.00 33.24 O HETATM 2770 O HOH E 654 49.466 33.903 4.652 1.00 23.06 O HETATM 2771 O HOH E 655 35.052 61.938 4.312 1.00 30.52 O HETATM 2772 O HOH E 656 43.660 65.046 -0.023 1.00 32.49 O HETATM 2773 O HOH E 657 67.692 52.617 29.053 1.00 23.07 O HETATM 2774 O HOH E 658 32.107 52.452 5.882 1.00 34.42 O HETATM 2775 O HOH E 659 49.612 66.310 20.337 1.00 30.96 O HETATM 2776 O HOH E 660 38.853 43.483 6.478 1.00 36.13 O HETATM 2777 O HOH E 661 44.816 61.045 28.236 1.00 32.06 O HETATM 2778 O HOH E 662 35.920 57.783 18.978 1.00 28.23 O HETATM 2779 O HOH E 663 37.273 47.813 21.038 1.00 32.49 O HETATM 2780 O HOH E 664 60.668 47.961 -2.327 1.00 20.24 O HETATM 2781 O HOH E 665 44.818 69.926 3.773 1.00 30.17 O HETATM 2782 O HOH E 666 32.992 58.288 10.680 1.00 33.23 O HETATM 2783 O HOH E 667 52.242 50.220 -9.736 1.00 28.75 O HETATM 2784 O HOH E 668 66.635 32.351 6.817 1.00 34.91 O HETATM 2785 O HOH E 669 69.588 68.730 7.054 1.00 26.98 O HETATM 2786 O HOH E 670 35.359 65.129 7.268 1.00 30.18 O HETATM 2787 O HOH E 671 35.269 50.659 3.169 1.00 27.33 O HETATM 2788 O HOH E 672 76.389 58.754 18.478 1.00 37.33 O HETATM 2789 O HOH E 673 61.535 67.045 16.890 1.00 37.52 O HETATM 2790 O HOH E 674 35.105 46.283 30.940 1.00 38.35 O HETATM 2791 O HOH E 675 49.758 42.581 0.851 1.00 29.07 O HETATM 2792 O HOH E 676 61.511 48.142 28.749 1.00 23.81 O HETATM 2793 O HOH E 677 46.185 37.663 19.493 1.00 35.62 O HETATM 2794 O HOH E 678 49.059 41.518 -1.450 1.00 38.79 O HETATM 2795 O HOH E 679 32.454 55.208 2.009 1.00 30.52 O HETATM 2796 O HOH E 680 55.868 60.188 -10.049 1.00 30.90 O HETATM 2797 O HOH E 681 36.237 62.458 23.874 1.00 30.11 O HETATM 2798 O HOH E 682 30.848 48.305 7.083 1.00 35.13 O HETATM 2799 O HOH E 683 48.761 40.445 2.557 1.00 24.26 O HETATM 2800 O HOH E 684 51.910 39.286 24.246 1.00 34.88 O HETATM 2801 O HOH E 685 54.384 54.169 -12.487 1.00 33.04 O HETATM 2802 O HOH E 686 67.017 43.729 2.381 1.00 36.52 O HETATM 2803 O HOH E 687 69.741 42.905 2.440 1.00 35.71 O HETATM 2804 O HOH E 688 38.787 43.820 18.606 1.00 30.60 O HETATM 2805 O HOH E 689 62.124 67.751 -0.201 1.00 31.84 O HETATM 2806 O HOH E 690 61.050 65.422 9.246 1.00 25.59 O HETATM 2807 O HOH E 691 50.945 69.439 -1.420 1.00 34.73 O HETATM 2808 O HOH E 692 61.443 40.322 23.351 1.00 30.95 O HETATM 2809 O HOH E 693 57.874 40.462 -8.192 1.00 40.85 O HETATM 2810 O HOH E 694 51.829 61.809 28.351 1.00 32.67 O HETATM 2811 O HOH E 695 55.991 28.368 -0.329 1.00 32.40 O HETATM 2812 O HOH E 696 59.639 58.375 -8.956 1.00 34.98 O HETATM 2813 O HOH E 697 63.407 65.479 8.012 1.00 29.49 O HETATM 2814 O HOH E 698 54.142 60.764 -12.013 1.00 29.87 O HETATM 2815 O HOH E 699 50.821 68.016 18.770 1.00 35.00 O HETATM 2816 O HOH E 700 60.841 46.850 30.968 1.00 27.34 O HETATM 2817 O HOH E 701 57.607 68.214 12.849 1.00 25.48 O HETATM 2818 O HOH E 702 51.198 31.966 5.429 1.00 28.60 O HETATM 2819 O HOH E 703 60.397 40.685 -6.833 1.00 34.61 O HETATM 2820 O HOH E 704 49.478 39.408 25.073 1.00 39.20 O HETATM 2821 O HOH E 705 59.772 42.583 27.362 1.00 40.06 O HETATM 2822 O HOH E 706 33.321 52.779 3.196 1.00 28.86 O HETATM 2823 O HOH E 707 63.532 43.214 25.056 1.00 37.08 O HETATM 2824 O HOH E 708 51.215 40.392 -2.098 1.00 38.45 O HETATM 2825 O HOH E 709 33.754 47.633 0.882 1.00 38.39 O HETATM 2826 O HOH E 710 54.317 39.913 26.331 1.00 37.28 O HETATM 2827 O HOH E 711 70.858 37.322 3.110 1.00 31.43 O HETATM 2828 O HOH E 712 36.598 50.122 28.882 1.00 23.26 O HETATM 2829 O HOH E 713 56.196 30.439 6.268 1.00 33.38 O HETATM 2830 O HOH E 714 51.519 66.061 22.232 1.00 42.69 O HETATM 2831 O HOH E 715 55.700 32.934 17.766 1.00 33.23 O HETATM 2832 O HOH E 716 35.177 63.285 17.369 1.00 38.45 O HETATM 2833 O HOH E 717 80.384 52.571 12.976 1.00 44.72 O HETATM 2834 O HOH E 718 71.024 52.825 27.276 1.00 39.19 O HETATM 2835 O HOH E 719 46.208 60.679 -7.989 1.00 37.86 O HETATM 2836 O HOH E 720 62.026 66.739 11.835 1.00 32.95 O HETATM 2837 O HOH E 721 50.061 69.980 10.413 1.00 34.28 O HETATM 2838 O HOH E 722 52.802 58.262 -12.746 1.00 37.08 O HETATM 2839 O HOH E 723 49.450 60.603 -10.306 1.00 33.79 O HETATM 2840 O HOH E 724 54.907 34.123 20.181 1.00 42.09 O HETATM 2841 O HOH E 725 57.237 38.063 25.461 1.00 35.98 O HETATM 2842 O HOH E 726 47.296 69.739 9.989 1.00 36.57 O HETATM 2843 O HOH E 727 58.806 47.212 -6.830 1.00 36.01 O HETATM 2844 O HOH E 728 50.069 58.542 -11.965 1.00 32.75 O HETATM 2845 O HOH E 729 63.017 65.563 26.703 1.00 38.53 O HETATM 2846 O HOH E 730 48.325 52.065 -13.160 1.00 38.74 O HETATM 2847 O HOH E 731 72.383 42.262 18.860 1.00 36.65 O HETATM 2848 O HOH E 732 63.038 31.420 9.620 1.00 34.41 O HETATM 2849 O HOH E 733 53.584 51.951 -11.662 1.00 38.09 O HETATM 2850 O HOH E 734 61.103 67.723 14.130 1.00 35.11 O HETATM 2851 O HOH E 735 35.027 50.427 17.070 1.00 34.03 O HETATM 2852 O HOH E 736 51.563 33.238 -0.973 1.00 45.98 O HETATM 2853 O HOH E 737 66.274 33.979 13.729 1.00 41.96 O HETATM 2854 O HOH E 738 34.166 57.084 24.510 1.00 35.49 O HETATM 2855 O HOH E 739 48.336 70.125 14.210 1.00 35.35 O HETATM 2856 O HOH E 740 64.041 47.568 28.151 1.00 32.73 O HETATM 2857 O HOH E 741 44.906 62.401 25.942 1.00 42.02 O HETATM 2858 O HOH E 742 36.089 49.968 -0.172 1.00 42.24 O HETATM 2859 O HOH E 743 53.871 68.941 16.133 1.00 43.07 O HETATM 2860 O HOH E 744 54.977 40.741 -4.691 1.00 38.31 O HETATM 2861 O HOH E 745 47.859 48.425 36.882 1.00 38.39 O HETATM 2862 O HOH E 746 54.482 32.087 13.023 1.00 31.47 O HETATM 2863 O HOH E 747 53.618 42.891 -8.847 1.00 43.50 O HETATM 2864 O HOH E 748 70.538 39.387 5.966 1.00 38.51 O HETATM 2865 O HOH E 749 66.855 40.384 -0.595 1.00 41.50 O HETATM 2866 O HOH E 750 45.842 58.950 32.805 1.00 45.43 O HETATM 2867 O HOH E 751 59.482 31.364 17.740 1.00 32.07 O HETATM 2868 O HOH E 752 57.909 49.605 -8.425 1.00 40.22 O HETATM 2869 O HOH E 753 74.222 61.375 3.657 1.00 40.35 O HETATM 2870 O HOH E 754 52.210 34.475 20.922 1.00 42.78 O HETATM 2871 O HOH E 755 63.792 66.201 23.883 1.00 39.32 O HETATM 2872 O HOH E 756 60.478 31.308 8.413 1.00 34.55 O HETATM 2873 O HOH E 757 60.876 53.611 -8.122 1.00 34.73 O HETATM 2874 O HOH E 758 64.352 66.740 3.621 1.00 34.40 O HETATM 2875 O HOH E 759 71.300 40.304 1.013 1.00 42.14 O HETATM 2876 O HOH E 760 45.725 58.299 35.771 1.00 35.68 O HETATM 2877 O HOH E 761 71.170 44.253 19.734 1.00 42.09 O HETATM 2878 O HOH E 762 63.903 67.464 19.007 1.00 42.87 O HETATM 2879 O HOH E 763 47.359 68.123 20.328 1.00 43.55 O HETATM 2880 O HOH E 764 45.458 69.785 14.133 1.00 31.75 O HETATM 2881 O HOH E 765 52.425 63.265 -8.283 1.00 38.75 O HETATM 2882 O HOH E 766 47.102 63.944 26.607 1.00 38.64 O HETATM 2883 O HOH E 767 41.474 68.177 8.535 1.00 37.54 O HETATM 2884 O HOH E 768 57.958 70.318 7.125 1.00 32.83 O HETATM 2885 O HOH E 769 50.241 46.780 34.963 1.00 44.37 O HETATM 2886 O HOH E 770 51.027 69.410 -4.387 1.00 38.99 O HETATM 2887 O HOH E 771 72.753 37.107 9.192 1.00 46.37 O HETATM 2888 O HOH E 772 44.524 70.816 7.432 1.00 37.84 O HETATM 2889 O HOH E 773 72.158 50.429 26.799 1.00 45.66 O HETATM 2890 O HOH E 774 51.801 31.498 1.918 1.00 48.18 O HETATM 2891 O HOH E 775 62.752 45.044 31.099 1.00 37.52 O HETATM 2892 O HOH E 776 59.858 30.238 0.048 1.00 40.26 O HETATM 2893 O HOH E 777 34.138 53.072 18.527 1.00 38.53 O HETATM 2894 O HOH E 778 63.166 47.617 -3.142 1.00 37.43 O HETATM 2895 O HOH E 779 46.191 69.391 18.100 1.00 40.43 O HETATM 2896 O HOH E 780 55.339 68.440 -2.457 1.00 35.68 O HETATM 2897 O HOH E 781 45.109 67.514 0.521 1.00 43.04 O HETATM 2898 O HOH E 782 30.017 60.013 8.212 1.00 36.48 O HETATM 2899 O HOH E 783 73.157 58.834 24.309 1.00 44.80 O HETATM 2900 O HOH E 784 51.737 62.295 -10.905 1.00 35.74 O HETATM 2901 O HOH E 785 46.555 68.393 -1.583 1.00 36.32 O HETATM 2902 O HOH E 786 43.653 58.893 -7.657 1.00 36.41 O HETATM 2903 O HOH E 787 54.359 45.144 33.050 1.00 41.82 O HETATM 2904 O HOH E 788 43.530 51.459 -8.931 1.00 49.16 O HETATM 2905 O HOH E 789 47.792 57.253 -13.365 1.00 36.09 O HETATM 2906 O HOH E 790 59.123 68.784 3.198 1.00 16.98 O HETATM 2907 O HOH E 791 49.541 62.730 28.853 1.00 39.90 O HETATM 2908 O HOH E 792 49.842 72.656 1.992 1.00 45.56 O HETATM 2909 O HOH E 793 42.827 60.332 -5.728 1.00 37.50 O HETATM 2910 O HOH E 794 49.609 34.956 17.962 1.00 41.03 O HETATM 2911 O HOH E 795 72.682 46.180 21.045 1.00 42.73 O HETATM 2912 O HOH E 796 68.143 36.759 17.474 1.00 38.49 O HETATM 2913 O HOH E 797 46.665 62.979 -6.259 1.00 39.78 O HETATM 2914 O HOH E 798 51.936 41.222 -4.520 1.00 51.11 O HETATM 2915 O HOH E 799 50.150 34.967 15.035 1.00 42.99 O HETATM 2916 O HOH E 800 36.140 55.577 25.317 1.00 37.29 O HETATM 2917 O HOH E 801 64.445 32.160 -2.597 1.00 45.30 O HETATM 2918 O HOH E 802 50.712 31.365 8.458 1.00 39.43 O HETATM 2919 O HOH E 803 52.510 43.663 27.736 0.50 23.31 O HETATM 2920 O HOH E 804 47.801 33.837 14.408 1.00 43.44 O HETATM 2921 O HOH E 805 64.802 68.020 8.691 1.00 44.61 O HETATM 2922 O HOH E 806 33.419 57.748 19.613 1.00 37.89 O HETATM 2923 O HOH E 807 42.608 60.588 24.202 1.00 18.18 O HETATM 2924 O HOH E 808 31.765 54.978 -0.820 1.00 42.70 O HETATM 2925 O HOH E 809 35.465 48.811 -6.277 1.00 48.96 O HETATM 2926 O HOH E 810 43.291 56.166 -8.008 1.00 40.56 O HETATM 2927 O HOH E 811 58.542 42.937 31.731 1.00 35.99 O HETATM 2928 O HOH E 812 63.360 54.178 29.427 1.00 12.29 O HETATM 2929 O HOH E 813 76.429 42.341 18.405 1.00 37.74 O HETATM 2930 O HOH E 814 56.187 46.535 -8.912 1.00 39.89 O HETATM 2931 O HOH E 815 73.997 57.610 6.592 1.00 34.72 O HETATM 2932 O HOH E 816 58.790 37.775 -7.585 1.00 53.28 O HETATM 2933 O HOH E 817 60.098 44.728 -7.197 1.00 37.21 O HETATM 2934 O HOH E 818 58.384 29.401 -7.275 1.00 44.64 O HETATM 2935 O HOH E 819 31.614 45.225 4.026 1.00 43.19 O HETATM 2936 O HOH E 820 78.107 57.106 17.151 1.00 26.78 O HETATM 2937 O HOH E 821 66.920 45.117 25.060 1.00 41.58 O HETATM 2938 O HOH E 822 66.480 31.996 -0.282 1.00 45.06 O HETATM 2939 O HOH E 823 56.384 66.959 23.709 1.00 38.34 O HETATM 2940 O HOH E 824 65.610 32.572 16.171 1.00 43.67 O HETATM 2941 O HOH E 825 53.594 54.246 -15.222 1.00 40.02 O HETATM 2942 O HOH E 826 42.994 63.053 24.073 1.00 38.63 O HETATM 2943 O HOH E 827 73.627 39.750 16.262 1.00 25.65 O HETATM 2944 O HOH E 828 34.866 56.744 -3.985 1.00 44.53 O HETATM 2945 O HOH E 829 75.016 58.729 9.802 1.00 41.30 O HETATM 2946 O HOH E 830 48.795 48.381 31.899 1.00 19.98 O HETATM 2947 O HOH E 831 32.872 46.209 28.478 1.00 38.67 O HETATM 2948 O HOH E 832 31.307 62.849 1.994 1.00 38.52 O HETATM 2949 O HOH E 833 36.817 60.201 -2.870 1.00 40.24 O HETATM 2950 O HOH E 834 60.349 50.924 -9.367 1.00 39.58 O HETATM 2951 O HOH E 835 49.351 70.027 17.327 1.00 47.89 O HETATM 2952 O HOH E 836 42.923 69.896 9.552 1.00 43.88 O HETATM 2953 O HOH E 837 55.604 69.726 15.175 1.00 39.94 O HETATM 2954 O HOH E 838 42.794 65.603 21.415 1.00 48.85 O HETATM 2955 O HOH E 839 73.782 60.187 22.027 1.00 40.72 O HETATM 2956 O HOH E 840 57.570 61.353 28.426 1.00 19.41 O HETATM 2957 O HOH E 841 32.320 52.395 -1.140 1.00 50.51 O HETATM 2958 O HOH E 842 45.038 54.920 -11.288 1.00 42.92 O HETATM 2959 O HOH E 843 74.465 52.859 25.987 1.00 43.15 O HETATM 2960 O HOH E 844 76.900 66.329 8.409 1.00 36.78 O HETATM 2961 O HOH E 845 64.900 50.064 30.318 0.50 24.89 O HETATM 2962 O HOH E 846 43.856 48.805 -8.713 1.00 54.97 O HETATM 2963 O HOH E 847 53.201 71.362 1.866 1.00 43.09 O HETATM 2964 O HOH E 848 50.500 64.431 26.008 1.00 43.12 O HETATM 2965 O HOH E 849 41.444 61.049 25.835 1.00 42.07 O HETATM 2966 O HOH E 850 58.931 70.613 4.436 1.00 38.46 O HETATM 2967 O HOH E 851 31.466 54.286 23.920 1.00 48.94 O HETATM 2968 O HOH E 852 69.736 34.292 12.577 1.00 44.74 O HETATM 2969 O HOH E 853 64.447 49.633 -2.155 1.00 51.63 O HETATM 2970 O HOH E 854 49.604 71.827 -0.546 1.00 46.29 O HETATM 2971 O HOH E 855 61.117 37.569 -6.612 1.00 50.72 O HETATM 2972 O HOH E 856 56.572 28.670 4.046 1.00 46.12 O HETATM 2973 O HOH E 857 39.067 62.057 -4.970 1.00 48.82 O HETATM 2974 O HOH E 858 36.163 48.554 17.984 1.00 39.61 O HETATM 2975 O HOH E 859 68.213 36.169 -0.858 1.00 44.81 O HETATM 2976 O HOH E 860 34.910 48.944 24.242 1.00 47.92 O HETATM 2977 O HOH E 861 49.851 59.527 34.647 1.00 39.55 O HETATM 2978 O HOH E 862 74.763 44.812 21.126 1.00 44.35 O HETATM 2979 O HOH E 863 54.311 33.562 14.953 1.00 42.30 O HETATM 2980 O HOH E 864 32.793 50.927 24.302 1.00 59.17 O HETATM 2981 O HOH E 865 46.835 44.735 28.072 1.00 47.22 O HETATM 2982 O HOH E 866 48.918 45.158 28.372 1.00 48.04 O HETATM 2983 O HOH E 867 65.438 71.186 12.373 1.00 40.80 O HETATM 2984 O HOH E 868 55.764 63.331 29.855 1.00 45.50 O HETATM 2985 O HOH E 869 58.332 33.819 20.605 1.00 45.10 O HETATM 2986 O HOH E 870 63.809 71.620 14.350 1.00 41.56 O HETATM 2987 O HOH E 871 47.025 46.934 29.332 1.00 49.42 O HETATM 2988 O HOH E 872 61.950 66.960 28.268 1.00 43.67 O HETATM 2989 O HOH E 873 58.171 55.360 -11.581 1.00 45.20 O HETATM 2990 O HOH E 874 36.375 61.339 19.291 1.00 49.70 O HETATM 2991 O HOH E 875 48.362 70.303 21.519 1.00 47.67 O HETATM 2992 O HOH E 876 65.970 37.234 21.093 1.00 50.31 O HETATM 2993 O HOH E 877 54.606 68.261 21.284 1.00 50.12 O HETATM 2994 O HOH E 878 55.189 36.918 23.146 1.00 49.97 O HETATM 2995 O HOH E 879 34.351 46.634 23.649 1.00 41.86 O HETATM 2996 O HOH E 880 34.548 50.510 -2.116 1.00 50.76 O HETATM 2997 O HOH E 881 67.893 46.994 -0.175 1.00 46.46 O HETATM 2998 O HOH E 882 71.153 35.581 14.129 1.00 47.26 O HETATM 2999 O HOH E 883 68.388 34.900 15.175 1.00 53.38 O HETATM 3000 O HOH E 884 68.149 49.890 -0.086 1.00 41.97 O HETATM 3001 O HOH E 885 32.118 50.700 16.362 1.00 51.24 O HETATM 3002 O HOH E 886 39.363 63.404 24.025 1.00 40.59 O HETATM 3003 O HOH E 887 32.978 48.454 27.023 1.00 56.89 O HETATM 3004 O HOH E 888 60.794 67.979 24.197 1.00 47.76 O HETATM 3005 O HOH E 889 69.594 39.500 19.267 1.00 41.63 O HETATM 3006 O HOH E 890 44.925 59.825 30.438 1.00 38.86 O HETATM 3007 O HOH E 891 32.220 46.706 26.064 1.00 55.06 O HETATM 3008 O HOH E 892 57.446 41.739 28.109 1.00 48.57 O HETATM 3009 O HOH E 893 29.670 52.695 5.113 1.00 47.42 O HETATM 3010 O HOH E 894 32.328 48.941 -3.055 1.00 50.76 O HETATM 3011 O HOH E 895 78.648 47.868 19.307 1.00 51.84 O HETATM 3012 O HOH E 896 56.115 50.167 -10.600 1.00 44.73 O HETATM 3013 O HOH E 897 70.544 42.726 22.394 1.00 46.25 O HETATM 3014 O HOH E 898 35.200 44.438 29.230 1.00 44.24 O HETATM 3015 O HOH E 899 77.992 60.907 6.163 1.00 52.65 O HETATM 3016 O HOH E 900 63.961 39.063 21.101 1.00 48.68 O HETATM 3017 O HOH E 901 64.115 44.960 28.599 1.00 46.90 O HETATM 3018 O HOH E 902 46.495 60.934 -10.719 1.00 40.69 O HETATM 3019 O HOH E 903 44.701 66.978 20.658 1.00 42.84 O HETATM 3020 O HOH E 904 54.113 30.774 4.801 1.00 42.19 O HETATM 3021 O HOH E 905 58.959 69.085 -2.823 1.00 49.88 O HETATM 3022 O HOH E 906 50.072 35.486 -2.557 1.00 44.18 O HETATM 3023 O HOH E 907 63.491 29.014 -2.661 1.00 51.64 O HETATM 3024 O HOH E 908 46.073 47.667 32.323 1.00 44.52 O HETATM 3025 O HOH E 909 51.591 43.801 32.089 1.00 54.05 O HETATM 3026 O HOH E 910 60.962 29.425 5.687 1.00 49.63 O HETATM 3027 O HOH E 911 46.052 48.836 -11.007 1.00 45.17 O HETATM 3028 O HOH E 912 51.107 45.540 -9.944 1.00 43.99 O HETATM 3029 O HOH E 913 54.913 66.665 25.669 1.00 52.27 O HETATM 3030 O HOH E 914 51.734 72.466 8.986 1.00 46.52 O HETATM 3031 O HOH E 915 48.977 32.554 2.105 1.00 47.76 O HETATM 3032 O HOH E 916 75.876 59.350 6.813 1.00 52.73 O HETATM 3033 O HOH E 917 58.977 28.586 4.122 1.00 52.28 O HETATM 3034 O HOH E 918 36.425 44.964 12.720 1.00 50.23 O HETATM 3035 O HOH E 919 32.404 56.254 -3.090 1.00 44.67 O HETATM 3036 O HOH E 920 38.717 65.155 3.986 1.00 43.09 O HETATM 3037 O HOH E 921 48.862 31.450 12.739 1.00 49.05 O HETATM 3038 O HOH E 922 40.423 66.844 3.510 1.00 45.43 O HETATM 3039 O HOH E 923 34.683 68.965 18.496 1.00 43.62 O HETATM 3040 O HOH E 924 67.537 30.695 14.256 1.00 50.87 O HETATM 3041 O HOH E 925 30.449 62.219 -0.585 1.00 49.88 O HETATM 3042 O HOH E 926 50.446 65.576 -7.536 1.00 49.32 O HETATM 3043 O HOH E 927 30.889 62.347 13.889 1.00 44.86 O HETATM 3044 O HOH E 928 44.088 64.526 -3.212 1.00 52.13 O HETATM 3045 O HOH E 929 61.167 72.134 5.384 1.00 52.12 O HETATM 3046 O HOH E 930 31.895 46.164 8.839 1.00 55.44 O HETATM 3047 O HOH E 931 58.747 44.113 -9.837 1.00 50.74 O HETATM 3048 O HOH E 932 74.626 62.544 14.088 0.50 14.20 O HETATM 3049 O HOH E 933 77.071 61.402 18.956 0.50 21.62 O HETATM 3050 O HOH I 84 29.876 28.973 -8.390 1.00 14.45 O HETATM 3051 O HOH I 85 27.388 22.828 3.310 1.00 11.84 O HETATM 3052 O HOH I 86 28.512 25.327 3.919 1.00 14.22 O HETATM 3053 O HOH I 87 26.609 30.501 0.059 1.00 15.17 O HETATM 3054 O HOH I 88 41.634 36.344 4.611 1.00 13.77 O HETATM 3055 O HOH I 89 39.405 35.968 -2.528 1.00 17.19 O HETATM 3056 O HOH I 90 41.557 35.837 1.249 1.00 16.90 O HETATM 3057 O HOH I 91 31.062 30.920 10.652 1.00 18.57 O HETATM 3058 O HOH I 92 30.755 25.518 -9.960 1.00 20.08 O HETATM 3059 O HOH I 93 46.070 38.786 6.701 1.00 18.80 O HETATM 3060 O HOH I 94 41.876 36.654 -1.464 1.00 24.37 O HETATM 3061 O HOH I 95 34.061 36.854 -13.496 1.00 23.19 O HETATM 3062 O HOH I 96 47.150 32.360 5.698 1.00 24.43 O HETATM 3063 O HOH I 97 45.109 35.307 -6.112 1.00 24.66 O HETATM 3064 O HOH I 98 27.239 30.045 2.890 1.00 26.34 O HETATM 3065 O HOH I 99 30.900 40.701 3.782 1.00 27.78 O HETATM 3066 O HOH I 100 43.010 41.238 14.993 1.00 31.01 O HETATM 3067 O HOH I 101 25.592 20.696 -0.324 1.00 26.59 O HETATM 3068 O HOH I 102 43.209 37.676 2.625 1.00 33.36 O HETATM 3069 O HOH I 103 31.082 34.149 8.162 1.00 30.92 O HETATM 3070 O HOH I 104 37.414 41.982 9.020 1.00 35.03 O HETATM 3071 O HOH I 105 24.902 23.272 -3.480 1.00 29.81 O HETATM 3072 O HOH I 106 42.852 43.379 -1.934 1.00 54.35 O HETATM 3073 O HOH I 107 23.807 25.011 -1.549 0.50 17.00 O HETATM 3074 O HOH I 108 44.518 41.360 -0.405 1.00 39.11 O HETATM 3075 O HOH I 109 30.553 42.536 -7.046 1.00 29.75 O HETATM 3076 O HOH I 110 24.777 36.394 -2.470 1.00 28.31 O HETATM 3077 O HOH I 111 34.341 44.411 -7.231 1.00 37.47 O HETATM 3078 O HOH I 112 37.911 35.474 -11.469 1.00 38.06 O HETATM 3079 O HOH I 113 27.173 32.229 4.421 1.00 34.03 O HETATM 3080 O HOH I 114 34.450 21.730 1.189 1.00 33.45 O HETATM 3081 O HOH I 115 29.031 27.146 10.092 1.00 26.70 O HETATM 3082 O HOH I 116 37.844 29.125 12.086 1.00 35.81 O HETATM 3083 O HOH I 117 29.668 41.929 -3.352 1.00 32.88 O HETATM 3084 O HOH I 118 37.674 38.083 -12.230 1.00 34.29 O HETATM 3085 O HOH I 119 25.237 32.815 0.096 1.00 40.76 O HETATM 3086 O HOH I 120 29.281 33.802 5.124 1.00 41.75 O HETATM 3087 O HOH I 121 38.606 21.076 7.319 1.00 30.92 O HETATM 3088 O HOH I 122 32.173 22.008 -7.731 1.00 52.15 O HETATM 3089 O HOH I 123 38.137 24.759 11.196 1.00 28.60 O HETATM 3090 O HOH I 124 23.739 31.049 -1.368 1.00 30.07 O HETATM 3091 O HOH I 125 40.658 44.978 12.625 1.00 28.87 O HETATM 3092 O HOH I 126 45.374 35.559 14.438 1.00 31.25 O HETATM 3093 O HOH I 127 43.621 29.393 -8.609 1.00 27.60 O HETATM 3094 O HOH I 128 35.835 43.642 -11.689 1.00 38.10 O HETATM 3095 O HOH I 129 27.904 42.449 -8.214 1.00 45.11 O HETATM 3096 O HOH I 130 28.312 31.383 9.419 1.00 41.20 O HETATM 3097 O HOH I 131 42.457 42.802 -4.421 1.00 34.59 O HETATM 3098 O HOH I 132 43.989 40.430 1.982 1.00 48.27 O HETATM 3099 O HOH I 133 31.800 43.819 -2.876 1.00 40.30 O HETATM 3100 O HOH I 134 34.771 32.734 -13.899 1.00 34.64 O HETATM 3101 O HOH I 135 45.275 41.349 6.142 1.00 21.99 O HETATM 3102 O HOH I 136 28.265 19.882 -0.296 1.00 31.90 O HETATM 3103 O HOH I 137 45.581 34.871 -1.743 1.00 39.72 O HETATM 3104 O HOH I 138 27.132 24.193 -4.248 1.00 26.55 O HETATM 3105 O HOH I 139 37.575 22.245 -0.176 1.00 28.40 O HETATM 3106 O HOH I 140 36.455 45.882 -7.996 1.00 47.84 O HETATM 3107 O HOH I 141 31.778 44.571 -0.414 1.00 56.70 O HETATM 3108 O HOH I 142 30.825 22.975 -4.342 1.00 43.80 O HETATM 3109 O HOH I 143 31.642 20.709 -1.604 1.00 42.15 O HETATM 3110 O HOH I 144 29.041 22.749 -2.693 1.00 44.26 O HETATM 3111 O HOH I 145 44.443 34.004 17.758 1.00 38.64 O HETATM 3112 O HOH I 146 27.228 39.280 -2.871 1.00 41.60 O HETATM 3113 O HOH I 147 26.328 35.423 -0.505 1.00 46.72 O HETATM 3114 O HOH I 148 37.261 22.959 -2.576 1.00 36.96 O HETATM 3115 O HOH I 149 39.791 24.799 8.755 1.00 37.05 O HETATM 3116 O HOH I 150 44.602 24.104 -0.316 1.00 43.18 O HETATM 3117 O HOH I 151 38.842 40.989 -11.685 1.00 41.56 O HETATM 3118 O HOH I 152 27.793 43.544 -12.569 1.00 34.56 O HETATM 3119 O HOH I 153 38.739 41.165 17.180 1.00 37.90 O HETATM 3120 O HOH I 154 28.710 42.921 -17.478 1.00 36.79 O HETATM 3121 O HOH I 155 40.266 28.197 -9.864 1.00 41.70 O HETATM 3122 O HOH I 156 29.267 37.817 3.697 1.00 48.46 O HETATM 3123 O HOH I 157 30.598 32.016 12.960 1.00 41.31 O HETATM 3124 O HOH I 158 45.310 39.692 14.983 1.00 22.59 O HETATM 3125 O HOH I 159 36.425 28.358 -11.909 1.00 47.62 O HETATM 3126 O HOH I 160 42.649 36.016 15.724 1.00 41.50 O HETATM 3127 O HOH I 161 36.526 34.742 16.304 1.00 41.81 O HETATM 3128 O HOH I 162 35.782 24.694 -7.074 1.00 53.71 O HETATM 3129 O HOH I 163 36.272 26.504 11.897 1.00 22.10 O HETATM 3130 O HOH I 164 45.801 24.849 2.558 1.00 35.65 O HETATM 3131 O HOH I 165 36.202 39.288 10.626 1.00 51.60 O HETATM 3132 O HOH I 166 47.565 29.985 4.074 1.00 41.77 O HETATM 3133 O HOH I 167 47.078 28.595 -2.844 1.00 39.77 O HETATM 3134 O HOH I 168 46.253 29.163 -8.186 1.00 49.97 O HETATM 3135 O HOH I 169 41.783 27.643 9.528 1.00 42.42 O HETATM 3136 O HOH I 170 47.746 25.148 5.451 1.00 46.64 O HETATM 3137 O HOH I 171 40.684 35.610 14.331 0.50 18.98 O HETATM 3138 O HOH I 172 32.051 44.705 -5.173 1.00 47.70 O HETATM 3139 O HOH I 173 44.467 31.813 -9.351 1.00 45.33 O HETATM 3140 O HOH I 174 35.358 20.941 -1.074 1.00 45.22 O HETATM 3141 O HOH I 175 28.298 38.969 1.704 1.00 44.83 O HETATM 3142 O HOH I 176 44.503 28.178 10.417 1.00 58.85 O HETATM 3143 O HOH I 177 35.693 23.239 -4.429 1.00 42.62 O HETATM 3144 O HOH I 178 36.406 40.014 16.554 1.00 48.20 O HETATM 3145 O HOH I 179 46.463 40.377 3.969 1.00 30.71 O HETATM 3146 O HOH I 180 43.916 40.411 -6.965 1.00 34.26 O HETATM 3147 O HOH I 181 43.990 38.859 16.992 1.00 47.36 O HETATM 3148 O HOH I 182 25.008 33.778 2.796 1.00 44.55 O HETATM 3149 O HOH I 183 30.442 35.887 10.843 1.00 45.67 O HETATM 3150 O HOH I 184 41.498 39.835 16.554 1.00 47.57 O HETATM 3151 O HOH I 185 38.491 38.089 13.818 1.00 31.51 O HETATM 3152 O HOH I 186 47.180 32.725 -0.590 1.00 52.59 O HETATM 3153 O HOH I 187 43.747 30.763 17.738 1.00 51.59 O HETATM 3154 O HOH I 188 23.265 24.800 -0.163 0.50 18.33 O HETATM 3155 O HOH I 189 29.424 36.353 5.471 1.00 45.42 O CONECT 13 2563 CONECT 298 2563 CONECT 299 2563 CONECT 534 2563 CONECT 553 2563 CONECT 564 2563 CONECT 576 2563 CONECT 1180 2564 CONECT 1193 2564 CONECT 1218 2564 CONECT 2563 13 298 299 534 CONECT 2563 553 564 576 CONECT 2564 1180 1193 1218 2676 CONECT 2564 2780 CONECT 2565 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 2569 CONECT 2569 2568 2570 2571 2575 CONECT 2570 2569 CONECT 2571 2569 2572 CONECT 2572 2571 2573 2574 CONECT 2573 2572 CONECT 2574 2572 CONECT 2575 2569 2576 2577 CONECT 2576 2575 CONECT 2577 2575 CONECT 2578 2579 2580 2581 CONECT 2579 2578 CONECT 2580 2578 CONECT 2581 2578 2582 CONECT 2582 2581 2583 2584 2588 CONECT 2583 2582 CONECT 2584 2582 2585 CONECT 2585 2584 2586 2587 CONECT 2586 2585 CONECT 2587 2585 CONECT 2588 2582 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2592 2593 2594 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2591 2595 CONECT 2595 2594 2596 2597 2601 CONECT 2596 2595 CONECT 2597 2595 2598 CONECT 2598 2597 2599 2600 CONECT 2599 2598 CONECT 2600 2598 CONECT 2601 2595 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2605 CONECT 2605 2604 2607 CONECT 2606 2607 2608 CONECT 2607 2605 2606 CONECT 2608 2606 2610 CONECT 2609 2610 2611 CONECT 2610 2608 2609 CONECT 2611 2609 2613 CONECT 2612 2613 2614 CONECT 2613 2611 2612 CONECT 2614 2612 CONECT 2616 2617 CONECT 2617 2616 2618 CONECT 2618 2617 2620 CONECT 2619 2620 2621 CONECT 2620 2618 2619 CONECT 2621 2619 2623 CONECT 2622 2623 2624 CONECT 2623 2621 2622 CONECT 2624 2622 2626 CONECT 2625 2626 2627 CONECT 2626 2624 2625 CONECT 2627 2625 2629 CONECT 2628 2629 2630 CONECT 2629 2627 2628 CONECT 2630 2628 CONECT 2631 2632 CONECT 2632 2631 2634 CONECT 2633 2634 2635 CONECT 2634 2632 2633 CONECT 2635 2633 2637 CONECT 2636 2637 2638 CONECT 2637 2635 2636 CONECT 2638 2636 2640 CONECT 2639 2640 2641 CONECT 2640 2638 2639 CONECT 2641 2639 2643 CONECT 2642 2643 2644 CONECT 2643 2641 2642 CONECT 2644 2642 CONECT 2676 2564 CONECT 2780 2564 MASTER 438 0 9 11 15 0 22 6 3102 2 95 27 END
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Protein Sequence Similarity
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1tm3
RCSB PDB
PDBbind
64-mer
1tm4
RCSB PDB
PDBbind
64-mer
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PDBbind
64-mer
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64-mer
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RCSB PDB
PDBbind
64-mer
1y33
RCSB PDB
PDBbind
64-mer
1y34
RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
64-mer
1y3d
RCSB PDB
PDBbind
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1y48
RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1tm1
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
subtilisin bpn' precursor
Ligand Name
64-mer
EC.Number
E.C.3.4.21.62
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=0.003nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v43 pp. 13648-56, 2004
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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