Browse entries in the PDBbind-CN Database
HEADER HYDROLASE 10-JUN-04 1TM3 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 M59K MUTANT 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 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; COMPND 10 CHAIN: I; COMPND 11 ENGINEERED: YES; COMPND 12 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390; SOURCE 4 GENE: APR; SOURCE 5 EXPRESSION_SYSTEM: BACILLUS SUBTILIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 1423; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BG2036; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSER25; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HORDEUM VULGARE 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: PCI2M59K 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 1TM3 1 REMARK REVDAT 2 24-FEB-09 1TM3 1 VERSN REVDAT 1 09-NOV-04 1TM3 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. 1.57 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) : 1.57 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : -3.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 65003 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.167 REMARK 3 R VALUE (WORKING SET) : 0.166 REMARK 3 FREE R VALUE : 0.184 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3452 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) : 1.57 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.61 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4198 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2460 REMARK 3 BIN FREE R VALUE SET COUNT : 250 REMARK 3 BIN FREE R VALUE : 0.2750 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2504 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 65 REMARK 3 SOLVENT ATOMS : 447 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.43000 REMARK 3 B22 (A**2) : 0.43000 REMARK 3 B33 (A**2) : -0.64000 REMARK 3 B12 (A**2) : 0.21000 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): 0.064 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.064 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.041 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.170 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.963 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2669 ; 0.018 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3620 ; 1.729 ; 1.954 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 345 ; 5.728 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 408 ; 0.125 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1997 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1272 ; 0.211 ; 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): 303 ; 0.145 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 8 ; 0.062 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 36 ; 0.358 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 51 ; 0.235 ; 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): 1715 ; 0.888 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2769 ; 1.509 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 954 ; 2.547 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 850 ; 4.241 ; 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 1TM3 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_1000022761. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-DEC-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 5.0.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 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 : 68455 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.570 REMARK 200 RESOLUTION RANGE LOW (A) : 81.650 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 19.40 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.08900 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.3000 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 1LW6 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 125.08267 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 62.54133 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 93.81200 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 31.27067 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 156.35333 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 125.08267 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 62.54133 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 31.27067 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 93.81200 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 156.35333 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: 3100 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13310 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 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: 7330 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25490 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -58.0 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 141.30000 REMARK 350 BIOMT2 2 -0.866025 0.500000 0.000000 81.57959 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 62.54133 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 MET I 20 N CA CB CG SD CE REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH E 624 O HOH E 734 2.09 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH E 697 O HOH E 783 10775 2.01 REMARK 500 O HOH E 596 O HOH E 753 5565 2.08 REMARK 500 O HOH E 599 O HOH E 781 9765 2.15 REMARK 500 C14 1PE E 454 C14 1PE E 454 9765 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP E 259 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP E 32 -151.39 -168.84 REMARK 500 SER E 63 -22.83 111.87 REMARK 500 ALA E 73 24.87 -152.70 REMARK 500 ASN E 77 -157.24 -160.95 REMARK 500 SER E 159 65.08 -153.37 REMARK 500 LEU E 257 -126.38 -116.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 1PE E 454 REMARK 610 1PE E 456 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 450 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 159.8 REMARK 620 3 ASP E 41 OD2 150.2 45.7 REMARK 620 4 LEU E 75 O 75.8 87.8 104.9 REMARK 620 5 ASN E 77 OD1 85.6 83.1 123.8 91.9 REMARK 620 6 ILE E 79 O 100.3 94.3 82.2 171.6 80.4 REMARK 620 7 VAL E 81 O 89.4 102.8 60.9 90.7 173.7 96.7 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E 451 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY E 169 O REMARK 620 2 TYR E 171 O 93.2 REMARK 620 3 VAL E 174 O 108.5 90.5 REMARK 620 4 HOH E 592 O 102.1 86.5 149.3 REMARK 620 5 HOH E 488 O 107.3 159.5 82.5 89.7 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 450 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 451 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 452 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 453 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 454 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 455 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PE E 456 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TM1 RELATED DB: PDB REMARK 900 COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN INHIBITOR 2 REMARK 900 RELATED ID: 1TM4 RELATED DB: PDB REMARK 900 RELATED ID: 1TM5 RELATED DB: PDB REMARK 900 RELATED ID: 1TM7 RELATED DB: PDB REMARK 900 RELATED ID: 1TMG RELATED DB: PDB REMARK 900 RELATED ID: 1TO1 RELATED DB: PDB REMARK 900 RELATED ID: 1TO2 RELATED DB: PDB DBREF 1TM3 E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1TM3 I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1TM3 HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1TM3 HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1TM3 HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1TM3 HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1TM3 HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1TM3 HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1TM3 MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1TM3 LYS I 59 UNP Q40059 MET 60 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 LYS 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 450 1 HET NA E 451 1 HET CIT E 452 13 HET CIT E 453 13 HET 1PE E 454 9 HET 1PE E 455 16 HET 1PE E 456 13 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 2(C6 H8 O7) FORMUL 7 1PE 3(C10 H22 O6) FORMUL 10 HOH *447(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 TYR E 104 ASN E 117 1 14 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O TYR E 91 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O VAL E 198 N GLY E 178 SHEET 1 B 3 SER E 101 GLN E 103 0 SHEET 2 B 3 THR I 55 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 450 1555 1555 2.40 LINK OD1 ASP E 41 CA CA E 450 1555 1555 2.45 LINK OD2 ASP E 41 CA CA E 450 1555 1555 2.99 LINK O LEU E 75 CA CA E 450 1555 1555 2.39 LINK OD1 ASN E 77 CA CA E 450 1555 1555 2.37 LINK O ILE E 79 CA CA E 450 1555 1555 2.41 LINK O VAL E 81 CA CA E 450 1555 1555 2.40 LINK O GLY E 169 NA NA E 451 1555 1555 2.42 LINK O TYR E 171 NA NA E 451 1555 1555 2.34 LINK O VAL E 174 NA NA E 451 1555 1555 2.27 LINK NA NA E 451 O HOH E 592 1555 1555 2.41 LINK NA NA E 451 O HOH E 488 1555 1555 2.54 CISPEP 1 TYR E 167 PRO E 168 0 6.39 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 488 SITE 2 AC2 5 HOH E 592 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 453 SITE 3 AC3 13 HOH E 484 HOH E 540 HOH E 573 HOH E 636 SITE 4 AC3 13 HOH E 791 SITE 1 AC4 12 TRP E 241 GLN E 245 HIS E 276 CIT E 452 SITE 2 AC4 12 HOH E 517 HOH E 540 HOH E 636 HOH E 683 SITE 3 AC4 12 HOH E 691 HOH E 778 HOH E 791 HOH E 792 SITE 1 AC5 4 HIS E 17 THR E 22 ASN E 76 HOH E 594 SITE 1 AC6 6 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC6 6 HOH E 619 HOH E 796 SITE 1 AC7 6 SER E 37 VAL E 44 ALA E 45 GLY E 47 SITE 2 AC7 6 PHE E 58 HOH E 793 CRYST1 94.200 94.200 187.624 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 0.010616 0.006129 0.000000 0.00000 SCALE2 0.000000 0.012258 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005330 0.00000 ATOM 1 N ALA E 1 49.194 51.207 37.076 1.00 12.04 N ATOM 2 CA ALA E 1 50.616 51.261 36.552 1.00 10.27 C ATOM 3 C ALA E 1 50.613 51.008 35.070 1.00 11.02 C ATOM 4 O ALA E 1 49.786 50.259 34.526 1.00 11.42 O ATOM 5 CB ALA E 1 51.433 50.156 37.235 1.00 10.32 C ATOM 6 N GLN E 2 51.586 51.608 34.410 1.00 8.90 N ATOM 7 CA GLN E 2 51.863 51.403 32.994 1.00 8.92 C ATOM 8 C GLN E 2 52.739 50.174 32.755 1.00 9.14 C ATOM 9 O GLN E 2 53.566 49.801 33.586 1.00 10.14 O ATOM 10 CB GLN E 2 52.560 52.666 32.493 1.00 9.08 C ATOM 11 CG GLN E 2 53.094 52.611 31.059 1.00 9.61 C ATOM 12 CD GLN E 2 53.576 53.993 30.651 1.00 8.50 C ATOM 13 OE1 GLN E 2 52.825 54.782 30.056 1.00 9.43 O ATOM 14 NE2 GLN E 2 54.852 54.280 30.969 1.00 8.82 N ATOM 15 N SER E 3 52.475 49.508 31.624 1.00 8.86 N ATOM 16 CA SER E 3 53.278 48.369 31.144 1.00 9.71 C ATOM 17 C SER E 3 53.983 48.750 29.848 1.00 9.89 C ATOM 18 O SER E 3 53.445 49.506 29.004 1.00 9.33 O ATOM 19 CB SER E 3 52.375 47.151 30.896 1.00 11.37 C ATOM 20 OG ASER E 3 51.260 47.478 30.138 0.33 11.35 O ATOM 21 OG BSER E 3 53.032 46.154 30.142 0.33 10.80 O ATOM 22 OG CSER E 3 51.585 46.872 32.029 0.33 11.58 O ATOM 23 N VAL E 4 55.190 48.247 29.687 1.00 9.87 N ATOM 24 CA VAL E 4 55.943 48.455 28.439 1.00 9.68 C ATOM 25 C VAL E 4 55.830 47.196 27.598 1.00 8.74 C ATOM 26 O VAL E 4 56.412 46.179 27.989 1.00 10.98 O ATOM 27 CB VAL E 4 57.414 48.733 28.749 1.00 10.00 C ATOM 28 CG1 VAL E 4 58.183 49.050 27.422 1.00 11.09 C ATOM 29 CG2 VAL E 4 57.495 49.975 29.667 1.00 11.04 C ATOM 30 N PRO E 5 55.082 47.230 26.488 1.00 7.88 N ATOM 31 CA PRO E 5 54.974 46.000 25.659 1.00 9.30 C ATOM 32 C PRO E 5 56.368 45.506 25.242 1.00 9.84 C ATOM 33 O PRO E 5 57.300 46.303 25.029 1.00 9.77 O ATOM 34 CB PRO E 5 54.143 46.460 24.445 1.00 10.52 C ATOM 35 CG PRO E 5 53.305 47.692 25.007 1.00 10.80 C ATOM 36 CD PRO E 5 54.335 48.380 25.915 1.00 9.73 C ATOM 37 N TYR E 6 56.529 44.195 25.093 1.00 8.92 N ATOM 38 CA TYR E 6 57.889 43.666 24.837 1.00 8.60 C ATOM 39 C TYR E 6 58.521 44.238 23.576 1.00 8.42 C ATOM 40 O TYR E 6 59.763 44.389 23.517 1.00 9.54 O ATOM 41 CB TYR E 6 57.859 42.103 24.737 1.00 9.70 C ATOM 42 CG TYR E 6 57.421 41.567 23.363 1.00 10.18 C ATOM 43 CD1 TYR E 6 58.373 41.364 22.333 1.00 11.20 C ATOM 44 CD2 TYR E 6 56.077 41.194 23.089 1.00 11.80 C ATOM 45 CE1 TYR E 6 57.971 40.897 21.064 1.00 11.17 C ATOM 46 CE2 TYR E 6 55.691 40.729 21.813 1.00 10.92 C ATOM 47 CZ TYR E 6 56.673 40.543 20.845 1.00 13.02 C ATOM 48 OH TYR E 6 56.370 40.085 19.588 1.00 15.17 O ATOM 49 N GLY E 7 57.702 44.566 22.577 1.00 9.18 N ATOM 50 CA GLY E 7 58.244 44.997 21.286 1.00 8.00 C ATOM 51 C GLY E 7 58.899 46.369 21.412 1.00 9.07 C ATOM 52 O GLY E 7 59.878 46.658 20.694 1.00 8.26 O ATOM 53 N VAL E 8 58.379 47.193 22.322 1.00 8.67 N ATOM 54 CA VAL E 8 58.992 48.529 22.540 1.00 8.51 C ATOM 55 C VAL E 8 60.405 48.351 23.118 1.00 9.02 C ATOM 56 O VAL E 8 61.366 49.013 22.676 1.00 9.20 O ATOM 57 CB VAL E 8 58.101 49.391 23.490 1.00 8.13 C ATOM 58 CG1 VAL E 8 58.796 50.747 23.849 1.00 8.75 C ATOM 59 CG2 VAL E 8 56.797 49.685 22.778 1.00 8.31 C ATOM 60 N SER E 9 60.552 47.417 24.062 1.00 8.21 N ATOM 61 CA SER E 9 61.882 47.110 24.621 1.00 8.64 C ATOM 62 C SER E 9 62.779 46.432 23.597 1.00 8.89 C ATOM 63 O SER E 9 64.012 46.677 23.557 1.00 9.42 O ATOM 64 CB SER E 9 61.748 46.213 25.861 1.00 10.32 C ATOM 65 OG SER E 9 60.979 46.923 26.850 1.00 12.44 O ATOM 66 N GLN E 10 62.184 45.571 22.767 1.00 8.83 N ATOM 67 CA GLN E 10 62.962 44.759 21.838 1.00 10.09 C ATOM 68 C GLN E 10 63.711 45.618 20.811 1.00 10.87 C ATOM 69 O GLN E 10 64.856 45.260 20.413 1.00 11.72 O ATOM 70 CB GLN E 10 62.057 43.729 21.161 1.00 9.23 C ATOM 71 CG GLN E 10 62.833 42.708 20.296 1.00 11.16 C ATOM 72 CD GLN E 10 61.951 41.502 19.946 1.00 13.67 C ATOM 73 OE1 GLN E 10 61.083 41.137 20.745 1.00 17.41 O ATOM 74 NE2 GLN E 10 62.187 40.875 18.798 1.00 13.50 N ATOM 75 N ILE E 11 63.100 46.721 20.392 1.00 9.36 N ATOM 76 CA ILE E 11 63.762 47.591 19.399 1.00 8.56 C ATOM 77 C ILE E 11 64.664 48.638 20.099 1.00 9.50 C ATOM 78 O ILE E 11 65.278 49.480 19.403 1.00 8.72 O ATOM 79 CB ILE E 11 62.696 48.291 18.486 1.00 8.12 C ATOM 80 CG1 ILE E 11 61.855 49.330 19.286 1.00 7.53 C ATOM 81 CG2 ILE E 11 61.841 47.240 17.718 1.00 8.84 C ATOM 82 CD1 ILE E 11 61.112 50.327 18.356 1.00 9.20 C ATOM 83 N LYS E 12 64.743 48.571 21.422 1.00 10.12 N ATOM 84 CA LYS E 12 65.632 49.429 22.252 1.00 10.19 C ATOM 85 C LYS E 12 65.143 50.873 22.339 1.00 9.64 C ATOM 86 O LYS E 12 65.943 51.811 22.571 1.00 11.16 O ATOM 87 CB LYS E 12 67.099 49.296 21.825 1.00 11.03 C ATOM 88 CG LYS E 12 67.598 47.818 21.890 1.00 13.95 C ATOM 89 CD LYS E 12 69.106 47.761 21.712 1.00 19.52 C ATOM 90 CE LYS E 12 69.589 46.308 21.533 1.00 23.55 C ATOM 91 NZ LYS E 12 69.310 45.481 22.744 1.00 25.99 N ATOM 92 N ALA E 13 63.830 51.068 22.230 1.00 9.43 N ATOM 93 CA ALA E 13 63.254 52.405 22.462 1.00 8.35 C ATOM 94 C ALA E 13 63.527 52.975 23.863 1.00 9.05 C ATOM 95 O ALA E 13 63.788 54.188 23.961 1.00 9.18 O ATOM 96 CB ALA E 13 61.756 52.439 22.144 1.00 8.47 C ATOM 97 N PRO E 14 63.519 52.175 24.938 1.00 9.86 N ATOM 98 CA PRO E 14 63.789 52.754 26.271 1.00 9.85 C ATOM 99 C PRO E 14 65.165 53.417 26.328 1.00 9.58 C ATOM 100 O PRO E 14 65.294 54.372 27.114 1.00 9.83 O ATOM 101 CB PRO E 14 63.646 51.548 27.220 1.00 10.60 C ATOM 102 CG PRO E 14 62.585 50.704 26.456 1.00 10.63 C ATOM 103 CD PRO E 14 63.103 50.739 25.008 1.00 9.13 C ATOM 104 N ALA E 15 66.140 52.986 25.523 1.00 9.39 N ATOM 105 CA ALA E 15 67.452 53.693 25.540 1.00 10.40 C ATOM 106 C ALA E 15 67.316 55.125 25.051 1.00 10.43 C ATOM 107 O ALA E 15 67.985 56.038 25.612 1.00 11.44 O ATOM 108 CB ALA E 15 68.499 52.934 24.725 1.00 11.41 C ATOM 109 N LEU E 16 66.465 55.359 24.060 1.00 8.87 N ATOM 110 CA LEU E 16 66.234 56.755 23.626 1.00 9.37 C ATOM 111 C LEU E 16 65.480 57.527 24.706 1.00 9.03 C ATOM 112 O LEU E 16 65.820 58.692 24.978 1.00 9.36 O ATOM 113 CB LEU E 16 65.397 56.785 22.325 1.00 10.43 C ATOM 114 CG LEU E 16 66.226 56.789 21.030 1.00 10.77 C ATOM 115 CD1 LEU E 16 66.891 58.164 20.839 1.00 12.37 C ATOM 116 CD2 LEU E 16 67.288 55.692 21.033 1.00 11.65 C ATOM 117 N HIS E 17 64.444 56.898 25.311 1.00 8.64 N ATOM 118 CA HIS E 17 63.686 57.573 26.346 1.00 9.17 C ATOM 119 C HIS E 17 64.625 58.009 27.482 1.00 8.00 C ATOM 120 O HIS E 17 64.493 59.150 27.966 1.00 10.07 O ATOM 121 CB HIS E 17 62.589 56.640 26.918 1.00 9.17 C ATOM 122 CG HIS E 17 61.610 56.187 25.881 1.00 9.38 C ATOM 123 ND1 HIS E 17 60.684 55.190 26.138 1.00 11.12 N ATOM 124 CD2 HIS E 17 61.420 56.573 24.601 1.00 7.99 C ATOM 125 CE1 HIS E 17 59.957 54.993 25.045 1.00 11.35 C ATOM 126 NE2 HIS E 17 60.391 55.814 24.091 1.00 8.99 N ATOM 127 N SER E 18 65.563 57.131 27.875 1.00 9.07 N ATOM 128 CA SER E 18 66.455 57.493 28.986 1.00 9.55 C ATOM 129 C SER E 18 67.432 58.612 28.634 1.00 9.49 C ATOM 130 O SER E 18 67.889 59.292 29.550 1.00 8.28 O ATOM 131 CB SER E 18 67.243 56.299 29.511 1.00 10.98 C ATOM 132 OG ASER E 18 66.414 55.233 29.924 0.50 9.05 O ATOM 133 OG BSER E 18 68.126 55.822 28.556 0.50 12.91 O ATOM 134 N GLN E 19 67.751 58.775 27.336 1.00 9.88 N ATOM 135 CA GLN E 19 68.566 59.921 26.875 1.00 8.81 C ATOM 136 C GLN E 19 67.751 61.222 26.869 1.00 9.06 C ATOM 137 O GLN E 19 68.327 62.299 26.704 1.00 8.56 O ATOM 138 CB GLN E 19 69.056 59.652 25.459 1.00 9.49 C ATOM 139 CG GLN E 19 70.146 58.566 25.328 1.00 10.86 C ATOM 140 CD GLN E 19 70.387 58.249 23.844 1.00 15.94 C ATOM 141 OE1 GLN E 19 70.498 59.151 23.058 1.00 17.80 O ATOM 142 NE2 GLN E 19 70.400 56.968 23.461 1.00 19.36 N ATOM 143 N GLY E 20 66.417 61.099 26.974 1.00 9.26 N ATOM 144 CA GLY E 20 65.510 62.241 26.985 1.00 9.44 C ATOM 145 C GLY E 20 64.741 62.470 25.692 1.00 9.94 C ATOM 146 O GLY E 20 64.156 63.566 25.482 1.00 12.28 O ATOM 147 N TYR E 21 64.731 61.454 24.818 1.00 9.25 N ATOM 148 CA TYR E 21 64.131 61.639 23.488 1.00 8.28 C ATOM 149 C TYR E 21 62.953 60.698 23.306 1.00 8.74 C ATOM 150 O TYR E 21 63.068 59.476 23.545 1.00 10.25 O ATOM 151 CB TYR E 21 65.196 61.414 22.377 1.00 9.29 C ATOM 152 CG TYR E 21 66.243 62.505 22.461 1.00 8.97 C ATOM 153 CD1 TYR E 21 65.901 63.830 22.146 1.00 11.81 C ATOM 154 CD2 TYR E 21 67.551 62.210 22.870 1.00 10.64 C ATOM 155 CE1 TYR E 21 66.838 64.873 22.252 1.00 12.77 C ATOM 156 CE2 TYR E 21 68.521 63.282 23.008 1.00 11.18 C ATOM 157 CZ TYR E 21 68.127 64.573 22.674 1.00 13.20 C ATOM 158 OH TYR E 21 69.047 65.603 22.760 1.00 15.17 O ATOM 159 N THR E 22 61.797 61.314 23.019 1.00 7.99 N ATOM 160 CA THR E 22 60.502 60.600 23.030 1.00 8.16 C ATOM 161 C THR E 22 59.660 60.978 21.817 1.00 8.63 C ATOM 162 O THR E 22 58.468 60.643 21.793 1.00 9.03 O ATOM 163 CB THR E 22 59.703 60.900 24.293 1.00 9.29 C ATOM 164 OG1 THR E 22 59.615 62.334 24.480 1.00 11.01 O ATOM 165 CG2 THR E 22 60.401 60.319 25.560 1.00 10.66 C ATOM 166 N GLY E 23 60.239 61.605 20.798 1.00 8.36 N ATOM 167 CA GLY E 23 59.464 61.980 19.616 1.00 9.20 C ATOM 168 C GLY E 23 58.801 63.349 19.692 1.00 9.14 C ATOM 169 O GLY E 23 57.990 63.679 18.811 1.00 9.63 O ATOM 170 N SER E 24 59.190 64.183 20.673 1.00 9.75 N ATOM 171 CA SER E 24 58.551 65.512 20.811 1.00 11.36 C ATOM 172 C SER E 24 58.662 66.352 19.543 1.00 11.80 C ATOM 173 O SER E 24 59.728 66.419 18.923 1.00 12.87 O ATOM 174 CB SER E 24 59.210 66.323 21.936 1.00 11.37 C ATOM 175 OG ASER E 24 59.094 65.710 23.179 0.67 11.96 O ATOM 176 OG BSER E 24 58.376 67.437 22.248 0.33 10.64 O ATOM 177 N ASN E 25 57.535 66.969 19.164 1.00 12.77 N ATOM 178 CA ASN E 25 57.446 67.870 18.009 1.00 15.50 C ATOM 179 C ASN E 25 57.637 67.185 16.669 1.00 15.20 C ATOM 180 O ASN E 25 57.820 67.860 15.659 1.00 19.07 O ATOM 181 CB ASN E 25 58.439 69.038 18.107 1.00 15.83 C ATOM 182 CG ASN E 25 58.220 69.876 19.342 1.00 23.59 C ATOM 183 OD1 ASN E 25 57.100 70.313 19.623 1.00 28.05 O ATOM 184 ND2 ASN E 25 59.287 70.075 20.113 1.00 29.44 N ATOM 185 N VAL E 26 57.565 65.857 16.635 1.00 11.60 N ATOM 186 CA VAL E 26 57.610 65.159 15.357 1.00 10.74 C ATOM 187 C VAL E 26 56.175 64.779 14.982 1.00 10.14 C ATOM 188 O VAL E 26 55.462 64.214 15.816 1.00 11.12 O ATOM 189 CB VAL E 26 58.494 63.883 15.437 1.00 9.91 C ATOM 190 CG1 VAL E 26 58.541 63.152 14.061 1.00 9.91 C ATOM 191 CG2 VAL E 26 59.927 64.249 15.913 1.00 12.04 C ATOM 192 N LYS E 27 55.796 65.065 13.738 1.00 10.16 N ATOM 193 CA LYS E 27 54.403 64.862 13.281 1.00 9.97 C ATOM 194 C LYS E 27 54.344 63.517 12.550 1.00 10.06 C ATOM 195 O LYS E 27 55.019 63.325 11.523 1.00 9.87 O ATOM 196 CB LYS E 27 53.987 66.010 12.334 1.00 10.88 C ATOM 197 CG LYS E 27 53.941 67.370 13.079 1.00 11.88 C ATOM 198 CD LYS E 27 53.311 68.469 12.176 1.00 16.18 C ATOM 199 CE LYS E 27 53.229 69.800 12.937 1.00 20.29 C ATOM 200 NZ LYS E 27 54.630 70.336 13.001 1.00 29.18 N ATOM 201 N VAL E 28 53.532 62.593 13.104 1.00 9.13 N ATOM 202 CA VAL E 28 53.360 61.242 12.514 1.00 9.73 C ATOM 203 C VAL E 28 51.899 61.042 12.092 1.00 9.92 C ATOM 204 O VAL E 28 50.976 61.129 12.957 1.00 10.84 O ATOM 205 CB VAL E 28 53.722 60.153 13.541 1.00 9.80 C ATOM 206 CG1 VAL E 28 53.599 58.773 12.859 1.00 11.23 C ATOM 207 CG2 VAL E 28 55.160 60.372 14.051 1.00 10.04 C ATOM 208 N ALA E 29 51.700 60.801 10.788 1.00 10.36 N ATOM 209 CA ALA E 29 50.342 60.493 10.279 1.00 10.71 C ATOM 210 C ALA E 29 50.149 58.990 10.312 1.00 10.72 C ATOM 211 O ALA E 29 50.910 58.270 9.655 1.00 11.22 O ATOM 212 CB ALA E 29 50.148 61.024 8.819 1.00 11.40 C ATOM 213 N VAL E 30 49.109 58.532 11.001 1.00 10.71 N ATOM 214 CA VAL E 30 48.696 57.129 10.949 1.00 10.48 C ATOM 215 C VAL E 30 47.583 57.068 9.897 1.00 10.06 C ATOM 216 O VAL E 30 46.473 57.546 10.150 1.00 11.95 O ATOM 217 CB VAL E 30 48.253 56.657 12.345 1.00 9.89 C ATOM 218 CG1 VAL E 30 47.717 55.245 12.268 1.00 10.00 C ATOM 219 CG2 VAL E 30 49.483 56.655 13.337 1.00 10.73 C ATOM 220 N ILE E 31 47.937 56.535 8.723 1.00 11.88 N ATOM 221 CA ILE E 31 47.033 56.518 7.553 1.00 11.68 C ATOM 222 C ILE E 31 46.358 55.161 7.649 1.00 11.70 C ATOM 223 O ILE E 31 46.996 54.134 7.438 1.00 12.14 O ATOM 224 CB ILE E 31 47.832 56.716 6.263 1.00 11.99 C ATOM 225 CG1 ILE E 31 48.470 58.114 6.277 1.00 13.33 C ATOM 226 CG2 ILE E 31 46.905 56.535 5.029 1.00 13.04 C ATOM 227 CD1 ILE E 31 49.029 58.575 4.903 1.00 11.69 C ATOM 228 N ASP E 32 45.094 55.191 8.066 1.00 11.71 N ATOM 229 CA ASP E 32 44.497 53.960 8.620 1.00 12.07 C ATOM 230 C ASP E 32 42.979 54.105 8.787 1.00 12.72 C ATOM 231 O ASP E 32 42.346 54.896 8.054 1.00 12.57 O ATOM 232 CB ASP E 32 45.211 53.628 9.946 1.00 12.08 C ATOM 233 CG ASP E 32 45.310 52.140 10.202 1.00 12.62 C ATOM 234 OD1 ASP E 32 44.211 51.518 10.354 1.00 12.17 O ATOM 235 OD2 ASP E 32 46.416 51.524 10.293 1.00 12.15 O ATOM 236 N SER E 33 42.393 53.396 9.752 1.00 12.71 N ATOM 237 CA SER E 33 40.920 53.391 9.920 1.00 12.69 C ATOM 238 C SER E 33 40.405 54.457 10.870 1.00 13.65 C ATOM 239 O SER E 33 39.276 54.375 11.370 1.00 14.04 O ATOM 240 CB SER E 33 40.458 52.000 10.424 1.00 13.64 C ATOM 241 OG SER E 33 40.890 51.727 11.775 1.00 12.00 O ATOM 242 N GLY E 34 41.257 55.446 11.175 1.00 12.78 N ATOM 243 CA GLY E 34 40.919 56.431 12.192 1.00 13.26 C ATOM 244 C GLY E 34 41.698 56.168 13.485 1.00 13.20 C ATOM 245 O GLY E 34 42.425 55.167 13.578 1.00 13.68 O ATOM 246 N ILE E 35 41.526 57.045 14.462 1.00 12.64 N ATOM 247 CA ILE E 35 42.077 56.809 15.807 1.00 12.91 C ATOM 248 C ILE E 35 41.046 57.276 16.833 1.00 13.43 C ATOM 249 O ILE E 35 40.562 58.406 16.751 1.00 14.32 O ATOM 250 CB ILE E 35 43.401 57.630 16.067 1.00 12.15 C ATOM 251 CG1 ILE E 35 44.474 57.373 14.986 1.00 12.35 C ATOM 252 CG2 ILE E 35 43.969 57.292 17.462 1.00 11.74 C ATOM 253 CD1 ILE E 35 45.735 58.260 15.125 1.00 12.99 C ATOM 254 N ASP E 36 40.724 56.441 17.821 1.00 12.80 N ATOM 255 CA ASP E 36 39.799 56.838 18.866 1.00 13.12 C ATOM 256 C ASP E 36 40.451 57.884 19.793 1.00 15.30 C ATOM 257 O ASP E 36 41.184 57.547 20.722 1.00 14.55 O ATOM 258 CB ASP E 36 39.343 55.608 19.656 1.00 14.46 C ATOM 259 CG ASP E 36 38.388 55.961 20.785 1.00 16.84 C ATOM 260 OD1 ASP E 36 37.997 57.144 20.941 1.00 17.89 O ATOM 261 OD2 ASP E 36 37.978 55.089 21.559 1.00 20.24 O ATOM 262 N SER E 37 40.165 59.155 19.516 1.00 17.14 N ATOM 263 CA SER E 37 40.776 60.274 20.261 1.00 18.85 C ATOM 264 C SER E 37 40.355 60.341 21.732 1.00 18.92 C ATOM 265 O SER E 37 41.073 60.978 22.524 1.00 21.55 O ATOM 266 CB SER E 37 40.493 61.629 19.580 1.00 19.30 C ATOM 267 OG SER E 37 39.108 61.922 19.590 1.00 22.83 O ATOM 268 N SER E 38 39.271 59.655 22.110 1.00 17.61 N ATOM 269 CA SER E 38 38.805 59.644 23.503 1.00 16.60 C ATOM 270 C SER E 38 39.619 58.687 24.400 1.00 15.38 C ATOM 271 O SER E 38 39.418 58.662 25.614 1.00 16.50 O ATOM 272 CB SER E 38 37.312 59.267 23.610 1.00 17.02 C ATOM 273 OG ASER E 38 37.112 57.933 23.223 0.50 16.07 O ATOM 274 OG BSER E 38 36.466 60.319 23.176 0.50 19.21 O ATOM 275 N HIS E 39 40.510 57.880 23.803 1.00 13.35 N ATOM 276 CA HIS E 39 41.278 56.942 24.622 1.00 11.57 C ATOM 277 C HIS E 39 42.227 57.737 25.550 1.00 10.56 C ATOM 278 O HIS E 39 42.985 58.583 25.061 1.00 12.18 O ATOM 279 CB HIS E 39 42.110 56.017 23.720 1.00 10.86 C ATOM 280 CG HIS E 39 42.517 54.759 24.410 1.00 10.94 C ATOM 281 ND1 HIS E 39 43.374 54.765 25.493 1.00 9.18 N ATOM 282 CD2 HIS E 39 42.172 53.466 24.202 1.00 9.77 C ATOM 283 CE1 HIS E 39 43.538 53.523 25.921 1.00 10.11 C ATOM 284 NE2 HIS E 39 42.830 52.711 25.142 1.00 9.06 N ATOM 285 N PRO E 40 42.202 57.461 26.854 1.00 11.20 N ATOM 286 CA PRO E 40 43.042 58.224 27.794 1.00 11.40 C ATOM 287 C PRO E 40 44.526 57.932 27.649 1.00 12.02 C ATOM 288 O PRO E 40 45.312 58.738 28.168 1.00 12.35 O ATOM 289 CB PRO E 40 42.534 57.772 29.170 1.00 11.82 C ATOM 290 CG PRO E 40 42.045 56.393 28.938 1.00 12.25 C ATOM 291 CD PRO E 40 41.353 56.473 27.565 1.00 10.93 C ATOM 292 N ASP E 41 44.905 56.896 26.909 1.00 10.54 N ATOM 293 CA ASP E 41 46.351 56.625 26.694 1.00 10.51 C ATOM 294 C ASP E 41 46.823 57.112 25.326 1.00 10.11 C ATOM 295 O ASP E 41 47.914 56.738 24.896 1.00 9.66 O ATOM 296 CB ASP E 41 46.656 55.133 26.884 1.00 9.74 C ATOM 297 CG ASP E 41 48.064 54.881 27.407 1.00 11.65 C ATOM 298 OD1 ASP E 41 48.602 55.770 28.067 1.00 11.59 O ATOM 299 OD2 ASP E 41 48.613 53.807 27.151 1.00 14.55 O ATOM 300 N LEU E 42 46.031 57.963 24.661 1.00 10.12 N ATOM 301 CA LEU E 42 46.437 58.571 23.369 1.00 10.48 C ATOM 302 C LEU E 42 46.159 60.057 23.388 1.00 11.49 C ATOM 303 O LEU E 42 45.177 60.510 24.030 1.00 13.01 O ATOM 304 CB LEU E 42 45.669 57.941 22.166 1.00 10.36 C ATOM 305 CG LEU E 42 45.868 56.439 21.931 1.00 10.20 C ATOM 306 CD1 LEU E 42 44.909 55.966 20.826 1.00 9.53 C ATOM 307 CD2 LEU E 42 47.317 56.124 21.523 1.00 11.62 C ATOM 308 N LYS E 43 46.987 60.812 22.685 1.00 11.02 N ATOM 309 CA LYS E 43 46.686 62.228 22.425 1.00 11.96 C ATOM 310 C LYS E 43 46.774 62.441 20.929 1.00 12.28 C ATOM 311 O LYS E 43 47.848 62.324 20.318 1.00 14.42 O ATOM 312 CB LYS E 43 47.661 63.143 23.188 1.00 13.16 C ATOM 313 CG LYS E 43 47.343 64.643 22.933 1.00 15.95 C ATOM 314 CD LYS E 43 48.335 65.535 23.742 1.00 25.71 C ATOM 315 CE LYS E 43 48.031 67.032 23.601 1.00 32.53 C ATOM 316 NZ LYS E 43 49.059 67.875 24.345 1.00 35.27 N ATOM 317 N VAL E 44 45.632 62.716 20.310 1.00 12.99 N ATOM 318 CA VAL E 44 45.578 62.953 18.882 1.00 13.93 C ATOM 319 C VAL E 44 45.613 64.457 18.604 1.00 15.32 C ATOM 320 O VAL E 44 44.757 65.185 19.124 1.00 16.54 O ATOM 321 CB VAL E 44 44.274 62.352 18.280 1.00 14.01 C ATOM 322 CG1 VAL E 44 44.219 62.609 16.776 1.00 14.63 C ATOM 323 CG2 VAL E 44 44.213 60.834 18.567 1.00 14.97 C ATOM 324 N ALA E 45 46.585 64.893 17.804 1.00 14.89 N ATOM 325 CA ALA E 45 46.862 66.319 17.583 1.00 15.75 C ATOM 326 C ALA E 45 46.011 66.903 16.453 1.00 17.17 C ATOM 327 O ALA E 45 45.858 68.133 16.367 1.00 17.81 O ATOM 328 CB ALA E 45 48.330 66.512 17.251 1.00 16.40 C ATOM 329 N GLY E 46 45.521 66.040 15.562 1.00 15.57 N ATOM 330 CA GLY E 46 44.745 66.506 14.408 1.00 16.31 C ATOM 331 C GLY E 46 44.503 65.374 13.435 1.00 16.00 C ATOM 332 O GLY E 46 44.736 64.208 13.767 1.00 15.15 O ATOM 333 N GLY E 47 44.007 65.709 12.248 1.00 16.19 N ATOM 334 CA GLY E 47 43.707 64.693 11.256 1.00 16.34 C ATOM 335 C GLY E 47 42.597 65.095 10.298 1.00 16.75 C ATOM 336 O GLY E 47 42.129 66.251 10.308 1.00 17.95 O ATOM 337 N ALA E 48 42.208 64.130 9.487 1.00 16.23 N ATOM 338 CA ALA E 48 41.218 64.336 8.429 1.00 16.19 C ATOM 339 C ALA E 48 40.741 62.991 7.933 1.00 16.31 C ATOM 340 O ALA E 48 41.501 62.014 7.946 1.00 15.57 O ATOM 341 CB ALA E 48 41.843 65.140 7.277 1.00 16.70 C ATOM 342 N SER E 49 39.479 62.925 7.456 1.00 16.23 N ATOM 343 CA SER E 49 38.988 61.673 6.884 1.00 17.41 C ATOM 344 C SER E 49 38.789 61.772 5.366 1.00 18.20 C ATOM 345 O SER E 49 38.204 62.751 4.889 1.00 20.15 O ATOM 346 CB SER E 49 37.644 61.275 7.511 1.00 17.28 C ATOM 347 OG SER E 49 37.148 60.151 6.792 1.00 18.01 O ATOM 348 N MET E 50 39.266 60.772 4.638 1.00 17.83 N ATOM 349 CA MET E 50 39.092 60.652 3.168 1.00 18.10 C ATOM 350 C MET E 50 38.039 59.570 2.842 1.00 19.29 C ATOM 351 O MET E 50 37.930 59.137 1.679 1.00 21.00 O ATOM 352 CB MET E 50 40.407 60.224 2.504 1.00 17.15 C ATOM 353 CG MET E 50 41.614 61.012 2.982 1.00 19.17 C ATOM 354 SD MET E 50 41.384 62.808 2.591 1.00 22.86 S ATOM 355 CE MET E 50 42.305 63.599 3.920 1.00 24.24 C ATOM 356 N VAL E 51 37.335 59.091 3.862 1.00 19.89 N ATOM 357 CA VAL E 51 36.316 58.049 3.664 1.00 21.53 C ATOM 358 C VAL E 51 34.945 58.742 3.493 1.00 22.67 C ATOM 359 O VAL E 51 34.425 59.341 4.431 1.00 21.91 O ATOM 360 CB VAL E 51 36.311 56.988 4.830 1.00 20.88 C ATOM 361 CG1 VAL E 51 35.161 55.958 4.658 1.00 20.84 C ATOM 362 CG2 VAL E 51 37.643 56.259 4.898 1.00 19.49 C ATOM 363 N PRO E 52 34.376 58.683 2.278 1.00 24.17 N ATOM 364 CA PRO E 52 33.137 59.421 1.981 1.00 25.74 C ATOM 365 C PRO E 52 32.001 59.206 2.993 1.00 26.17 C ATOM 366 O PRO E 52 31.369 60.187 3.406 1.00 26.86 O ATOM 367 CB PRO E 52 32.772 58.933 0.568 1.00 25.63 C ATOM 368 CG PRO E 52 34.104 58.598 -0.070 1.00 26.06 C ATOM 369 CD PRO E 52 34.912 57.995 1.090 1.00 23.74 C ATOM 370 N SER E 53 31.776 57.970 3.441 1.00 27.13 N ATOM 371 CA SER E 53 30.672 57.733 4.371 1.00 28.15 C ATOM 372 C SER E 53 31.029 57.763 5.877 1.00 27.78 C ATOM 373 O SER E 53 30.165 57.535 6.742 1.00 27.40 O ATOM 374 CB SER E 53 29.952 56.432 4.017 1.00 28.92 C ATOM 375 OG SER E 53 30.741 55.334 4.414 1.00 31.86 O ATOM 376 N GLU E 54 32.298 58.052 6.186 1.00 26.56 N ATOM 377 CA GLU E 54 32.746 58.103 7.585 1.00 26.14 C ATOM 378 C GLU E 54 33.593 59.365 7.770 1.00 25.70 C ATOM 379 O GLU E 54 34.819 59.308 7.658 1.00 25.43 O ATOM 380 CB GLU E 54 33.559 56.858 7.942 1.00 26.22 C ATOM 381 CG GLU E 54 32.749 55.576 8.046 1.00 26.67 C ATOM 382 CD GLU E 54 33.562 54.396 8.591 1.00 28.76 C ATOM 383 OE1 GLU E 54 34.510 54.626 9.392 1.00 29.15 O ATOM 384 OE2 GLU E 54 33.238 53.242 8.240 1.00 28.45 O ATOM 385 N THR E 55 32.943 60.486 8.047 1.00 24.97 N ATOM 386 CA THR E 55 33.623 61.784 7.962 1.00 24.50 C ATOM 387 C THR E 55 34.428 62.186 9.197 1.00 22.99 C ATOM 388 O THR E 55 35.118 63.208 9.151 1.00 23.46 O ATOM 389 CB THR E 55 32.634 62.920 7.630 1.00 24.85 C ATOM 390 OG1 THR E 55 31.686 63.056 8.700 1.00 27.02 O ATOM 391 CG2 THR E 55 31.800 62.575 6.358 1.00 26.95 C ATOM 392 N ASN E 56 34.330 61.412 10.285 1.00 21.73 N ATOM 393 CA ASN E 56 35.048 61.732 11.518 1.00 20.79 C ATOM 394 C ASN E 56 36.333 60.884 11.644 1.00 19.61 C ATOM 395 O ASN E 56 36.236 59.679 11.892 1.00 19.51 O ATOM 396 CB ASN E 56 34.133 61.508 12.740 1.00 21.29 C ATOM 397 CG ASN E 56 34.759 62.020 14.033 1.00 23.00 C ATOM 398 OD1 ASN E 56 35.904 62.473 14.040 1.00 21.23 O ATOM 399 ND2 ASN E 56 34.019 61.950 15.123 1.00 26.55 N ATOM 400 N PRO E 57 37.520 61.488 11.487 1.00 17.76 N ATOM 401 CA PRO E 57 38.768 60.699 11.609 1.00 17.14 C ATOM 402 C PRO E 57 39.048 60.271 13.056 1.00 17.10 C ATOM 403 O PRO E 57 39.926 59.414 13.253 1.00 15.84 O ATOM 404 CB PRO E 57 39.855 61.664 11.116 1.00 17.11 C ATOM 405 CG PRO E 57 39.321 63.045 11.477 1.00 17.80 C ATOM 406 CD PRO E 57 37.809 62.920 11.213 1.00 17.41 C ATOM 407 N PHE E 58 38.324 60.846 14.024 1.00 16.39 N ATOM 408 CA PHE E 58 38.570 60.576 15.443 1.00 16.57 C ATOM 409 C PHE E 58 37.648 59.521 16.008 1.00 16.80 C ATOM 410 O PHE E 58 37.624 59.305 17.210 1.00 17.18 O ATOM 411 CB PHE E 58 38.518 61.885 16.219 1.00 15.71 C ATOM 412 CG PHE E 58 39.325 62.993 15.557 1.00 18.05 C ATOM 413 CD1 PHE E 58 40.699 62.829 15.313 1.00 18.34 C ATOM 414 CD2 PHE E 58 38.710 64.174 15.148 1.00 19.33 C ATOM 415 CE1 PHE E 58 41.440 63.830 14.710 1.00 17.43 C ATOM 416 CE2 PHE E 58 39.448 65.189 14.534 1.00 19.85 C ATOM 417 CZ PHE E 58 40.819 65.020 14.318 1.00 21.19 C ATOM 418 N GLN E 59 36.903 58.877 15.111 1.00 17.30 N ATOM 419 CA GLN E 59 36.089 57.732 15.427 1.00 18.58 C ATOM 420 C GLN E 59 36.625 56.552 14.651 1.00 18.52 C ATOM 421 O GLN E 59 36.692 56.586 13.408 1.00 19.29 O ATOM 422 CB GLN E 59 34.606 58.022 15.076 1.00 20.12 C ATOM 423 CG GLN E 59 33.704 56.808 15.277 1.00 25.22 C ATOM 424 CD GLN E 59 32.248 57.161 15.059 1.00 36.20 C ATOM 425 OE1 GLN E 59 31.445 57.089 15.994 1.00 41.45 O ATOM 426 NE2 GLN E 59 31.906 57.582 13.835 1.00 40.14 N ATOM 427 N ASP E 60 37.011 55.505 15.377 1.00 16.23 N ATOM 428 CA ASP E 60 37.598 54.360 14.735 1.00 16.38 C ATOM 429 C ASP E 60 36.631 53.198 14.893 1.00 16.93 C ATOM 430 O ASP E 60 36.554 52.595 15.942 1.00 17.39 O ATOM 431 CB ASP E 60 38.972 54.033 15.385 1.00 15.19 C ATOM 432 CG ASP E 60 39.561 52.736 14.887 1.00 16.95 C ATOM 433 OD1 ASP E 60 39.050 52.167 13.891 1.00 14.36 O ATOM 434 OD2 ASP E 60 40.582 52.209 15.405 1.00 13.54 O ATOM 435 N ASN E 61 35.892 52.917 13.822 1.00 17.68 N ATOM 436 CA ASN E 61 34.863 51.891 13.842 1.00 18.27 C ATOM 437 C ASN E 61 35.393 50.502 13.534 1.00 18.56 C ATOM 438 O ASN E 61 34.617 49.547 13.465 1.00 20.16 O ATOM 439 CB ASN E 61 33.789 52.266 12.804 1.00 19.31 C ATOM 440 CG ASN E 61 33.099 53.548 13.141 1.00 20.84 C ATOM 441 OD1 ASN E 61 32.515 53.680 14.224 1.00 23.83 O ATOM 442 ND2 ASN E 61 33.143 54.511 12.215 1.00 24.49 N ATOM 443 N ASN E 62 36.700 50.374 13.321 1.00 16.08 N ATOM 444 CA ASN E 62 37.309 49.082 13.035 1.00 15.30 C ATOM 445 C ASN E 62 38.102 48.538 14.227 1.00 14.85 C ATOM 446 O ASN E 62 37.971 47.371 14.610 1.00 15.55 O ATOM 447 CB ASN E 62 38.229 49.214 11.804 1.00 14.44 C ATOM 448 CG ASN E 62 38.958 47.942 11.488 1.00 14.50 C ATOM 449 OD1 ASN E 62 39.911 47.587 12.169 1.00 14.24 O ATOM 450 ND2 ASN E 62 38.512 47.212 10.445 1.00 16.44 N ATOM 451 N SER E 63 38.956 49.422 14.772 1.00 14.02 N ATOM 452 CA SER E 63 39.866 49.196 15.927 1.00 13.63 C ATOM 453 C SER E 63 41.339 49.197 15.528 1.00 12.59 C ATOM 454 O SER E 63 42.220 49.450 16.378 1.00 12.71 O ATOM 455 CB SER E 63 39.566 47.919 16.745 1.00 13.70 C ATOM 456 OG SER E 63 40.103 46.775 16.091 1.00 16.18 O ATOM 457 N HIS E 64 41.602 48.926 14.270 1.00 11.82 N ATOM 458 CA HIS E 64 42.960 48.689 13.778 1.00 10.94 C ATOM 459 C HIS E 64 43.796 49.982 13.872 1.00 11.09 C ATOM 460 O HIS E 64 44.930 49.932 14.403 1.00 10.37 O ATOM 461 CB HIS E 64 42.870 48.153 12.343 1.00 11.64 C ATOM 462 CG HIS E 64 44.181 47.905 11.667 1.00 11.77 C ATOM 463 ND1 HIS E 64 44.841 48.893 10.976 1.00 11.45 N ATOM 464 CD2 HIS E 64 44.931 46.781 11.527 1.00 9.98 C ATOM 465 CE1 HIS E 64 45.931 48.386 10.415 1.00 10.13 C ATOM 466 NE2 HIS E 64 46.023 47.111 10.745 1.00 11.55 N ATOM 467 N GLY E 65 43.283 51.112 13.390 1.00 10.54 N ATOM 468 CA GLY E 65 44.062 52.359 13.429 1.00 11.07 C ATOM 469 C GLY E 65 44.410 52.754 14.872 1.00 10.47 C ATOM 470 O GLY E 65 45.482 53.361 15.129 1.00 11.66 O ATOM 471 N THR E 66 43.522 52.464 15.829 1.00 10.70 N ATOM 472 CA THR E 66 43.771 52.815 17.228 1.00 10.22 C ATOM 473 C THR E 66 44.903 51.944 17.806 1.00 10.36 C ATOM 474 O THR E 66 45.775 52.451 18.545 1.00 9.22 O ATOM 475 CB THR E 66 42.464 52.644 18.032 1.00 10.55 C ATOM 476 OG1 THR E 66 41.505 53.598 17.542 1.00 12.06 O ATOM 477 CG2 THR E 66 42.663 53.034 19.527 1.00 11.92 C ATOM 478 N HIS E 67 44.926 50.675 17.443 1.00 10.12 N ATOM 479 CA HIS E 67 45.973 49.772 17.905 1.00 9.38 C ATOM 480 C HIS E 67 47.338 50.242 17.314 1.00 9.68 C ATOM 481 O HIS E 67 48.353 50.375 18.049 1.00 9.00 O ATOM 482 CB HIS E 67 45.618 48.321 17.479 1.00 9.28 C ATOM 483 CG HIS E 67 46.465 47.289 18.150 1.00 8.51 C ATOM 484 ND1 HIS E 67 47.753 46.990 17.742 1.00 9.31 N ATOM 485 CD2 HIS E 67 46.213 46.510 19.230 1.00 8.56 C ATOM 486 CE1 HIS E 67 48.245 46.057 18.537 1.00 8.22 C ATOM 487 NE2 HIS E 67 47.328 45.743 19.446 1.00 8.76 N ATOM 488 N VAL E 68 47.379 50.479 16.003 1.00 9.57 N ATOM 489 CA VAL E 68 48.592 50.948 15.332 1.00 8.82 C ATOM 490 C VAL E 68 49.076 52.261 15.972 1.00 8.88 C ATOM 491 O VAL E 68 50.306 52.420 16.271 1.00 9.16 O ATOM 492 CB VAL E 68 48.320 51.114 13.802 1.00 8.79 C ATOM 493 CG1 VAL E 68 49.460 51.866 13.093 1.00 10.23 C ATOM 494 CG2 VAL E 68 48.088 49.727 13.143 1.00 10.44 C ATOM 495 N ALA E 69 48.136 53.174 16.226 1.00 9.79 N ATOM 496 CA ALA E 69 48.505 54.453 16.843 1.00 9.74 C ATOM 497 C ALA E 69 49.159 54.282 18.207 1.00 10.04 C ATOM 498 O ALA E 69 50.112 55.035 18.539 1.00 8.92 O ATOM 499 CB ALA E 69 47.252 55.366 16.956 1.00 9.54 C ATOM 500 N GLY E 70 48.655 53.337 19.024 1.00 9.00 N ATOM 501 CA GLY E 70 49.241 53.104 20.341 1.00 8.15 C ATOM 502 C GLY E 70 50.651 52.570 20.293 1.00 9.59 C ATOM 503 O GLY E 70 51.474 52.844 21.190 1.00 9.12 O ATOM 504 N THR E 71 50.957 51.780 19.269 1.00 8.90 N ATOM 505 CA THR E 71 52.335 51.320 19.147 1.00 7.81 C ATOM 506 C THR E 71 53.253 52.528 18.793 1.00 8.04 C ATOM 507 O THR E 71 54.367 52.646 19.344 1.00 8.25 O ATOM 508 CB THR E 71 52.414 50.210 18.084 1.00 7.59 C ATOM 509 OG1 THR E 71 51.688 49.064 18.580 1.00 8.76 O ATOM 510 CG2 THR E 71 53.875 49.726 17.908 1.00 8.74 C ATOM 511 N VAL E 72 52.789 53.417 17.926 1.00 8.21 N ATOM 512 CA VAL E 72 53.588 54.624 17.599 1.00 8.01 C ATOM 513 C VAL E 72 53.801 55.484 18.834 1.00 8.40 C ATOM 514 O VAL E 72 54.933 55.943 19.095 1.00 9.09 O ATOM 515 CB VAL E 72 52.919 55.464 16.520 1.00 7.64 C ATOM 516 CG1 VAL E 72 53.805 56.702 16.194 1.00 10.26 C ATOM 517 CG2 VAL E 72 52.676 54.621 15.231 1.00 8.76 C ATOM 518 N ALA E 73 52.709 55.735 19.573 1.00 8.74 N ATOM 519 CA ALA E 73 52.699 56.928 20.446 1.00 9.45 C ATOM 520 C ALA E 73 51.805 56.833 21.676 1.00 8.50 C ATOM 521 O ALA E 73 51.452 57.888 22.248 1.00 9.01 O ATOM 522 CB ALA E 73 52.329 58.180 19.611 1.00 10.35 C ATOM 523 N ALA E 74 51.500 55.621 22.187 1.00 7.85 N ATOM 524 CA ALA E 74 50.757 55.611 23.460 1.00 8.39 C ATOM 525 C ALA E 74 51.489 56.447 24.531 1.00 8.78 C ATOM 526 O ALA E 74 52.728 56.396 24.636 1.00 8.40 O ATOM 527 CB ALA E 74 50.470 54.164 23.974 1.00 8.56 C ATOM 528 N LEU E 75 50.717 57.167 25.335 1.00 8.31 N ATOM 529 CA LEU E 75 51.320 58.180 26.227 1.00 9.34 C ATOM 530 C LEU E 75 52.147 57.568 27.352 1.00 8.61 C ATOM 531 O LEU E 75 51.871 56.488 27.854 1.00 8.81 O ATOM 532 CB LEU E 75 50.227 59.049 26.852 1.00 8.65 C ATOM 533 CG LEU E 75 49.468 59.880 25.808 1.00 9.48 C ATOM 534 CD1 LEU E 75 48.233 60.492 26.543 1.00 10.55 C ATOM 535 CD2 LEU E 75 50.321 60.974 25.172 1.00 10.66 C ATOM 536 N ASN E 76 53.179 58.316 27.772 1.00 8.59 N ATOM 537 CA ASN E 76 53.976 57.936 28.951 1.00 9.17 C ATOM 538 C ASN E 76 53.343 58.527 30.220 1.00 9.94 C ATOM 539 O ASN E 76 53.342 59.768 30.463 1.00 11.61 O ATOM 540 CB ASN E 76 55.398 58.490 28.752 1.00 9.54 C ATOM 541 CG ASN E 76 56.321 58.093 29.878 1.00 12.84 C ATOM 542 OD1 ASN E 76 56.112 57.091 30.550 1.00 11.25 O ATOM 543 ND2 ASN E 76 57.367 58.909 30.104 1.00 16.30 N ATOM 544 N ASN E 77 52.761 57.623 30.997 1.00 9.18 N ATOM 545 CA ASN E 77 51.963 57.997 32.169 1.00 9.24 C ATOM 546 C ASN E 77 51.845 56.792 33.080 1.00 10.61 C ATOM 547 O ASN E 77 52.690 55.897 33.012 1.00 9.80 O ATOM 548 CB ASN E 77 50.607 58.564 31.719 1.00 9.82 C ATOM 549 CG ASN E 77 49.847 57.608 30.808 1.00 9.92 C ATOM 550 OD1 ASN E 77 50.127 56.421 30.795 1.00 9.40 O ATOM 551 ND2 ASN E 77 48.888 58.147 30.021 1.00 9.99 N ATOM 552 N SER E 78 50.821 56.737 33.944 1.00 10.25 N ATOM 553 CA SER E 78 50.691 55.618 34.866 1.00 11.13 C ATOM 554 C SER E 78 49.610 54.597 34.430 1.00 10.55 C ATOM 555 O SER E 78 49.167 53.761 35.232 1.00 10.77 O ATOM 556 CB SER E 78 50.471 56.110 36.316 1.00 12.82 C ATOM 557 OG SER E 78 49.253 56.876 36.384 1.00 16.10 O ATOM 558 N ILE E 79 49.222 54.647 33.158 1.00 10.04 N ATOM 559 CA ILE E 79 48.182 53.725 32.656 1.00 10.65 C ATOM 560 C ILE E 79 48.577 52.978 31.392 1.00 10.67 C ATOM 561 O ILE E 79 49.435 53.424 30.607 1.00 10.05 O ATOM 562 CB ILE E 79 46.820 54.450 32.407 1.00 11.50 C ATOM 563 CG1 ILE E 79 46.961 55.499 31.321 1.00 10.54 C ATOM 564 CG2 ILE E 79 46.294 55.057 33.698 1.00 12.44 C ATOM 565 CD1 ILE E 79 45.572 55.949 30.700 1.00 13.75 C ATOM 566 N GLY E 80 47.917 51.841 31.159 1.00 9.72 N ATOM 567 CA GLY E 80 47.941 51.227 29.833 1.00 9.49 C ATOM 568 C GLY E 80 49.314 50.817 29.359 1.00 9.01 C ATOM 569 O GLY E 80 50.080 50.239 30.137 1.00 10.96 O ATOM 570 N VAL E 81 49.596 51.141 28.108 1.00 9.78 N ATOM 571 CA VAL E 81 50.894 50.773 27.517 1.00 9.24 C ATOM 572 C VAL E 81 51.731 52.024 27.311 1.00 10.80 C ATOM 573 O VAL E 81 51.279 53.148 27.539 1.00 13.06 O ATOM 574 CB VAL E 81 50.678 49.992 26.181 1.00 10.15 C ATOM 575 CG1 VAL E 81 50.034 48.602 26.461 1.00 11.17 C ATOM 576 CG2 VAL E 81 49.772 50.799 25.176 1.00 10.32 C ATOM 577 N LEU E 82 52.962 51.822 26.895 1.00 10.87 N ATOM 578 CA LEU E 82 53.857 52.922 26.506 1.00 10.25 C ATOM 579 C LEU E 82 54.138 52.781 25.024 1.00 10.14 C ATOM 580 O LEU E 82 54.431 51.660 24.543 1.00 10.37 O ATOM 581 CB LEU E 82 55.151 52.795 27.322 1.00 8.72 C ATOM 582 CG LEU E 82 56.277 53.783 26.954 1.00 10.08 C ATOM 583 CD1 LEU E 82 55.815 55.207 27.340 1.00 9.93 C ATOM 584 CD2 LEU E 82 57.583 53.361 27.700 1.00 11.02 C ATOM 585 N GLY E 83 54.068 53.878 24.275 1.00 8.64 N ATOM 586 CA GLY E 83 54.394 53.886 22.852 1.00 8.65 C ATOM 587 C GLY E 83 55.890 54.003 22.572 1.00 8.29 C ATOM 588 O GLY E 83 56.661 54.338 23.469 1.00 8.52 O ATOM 589 N VAL E 84 56.249 53.727 21.341 1.00 8.18 N ATOM 590 CA VAL E 84 57.660 53.870 20.935 1.00 7.82 C ATOM 591 C VAL E 84 58.101 55.333 21.057 1.00 8.27 C ATOM 592 O VAL E 84 59.223 55.607 21.540 1.00 8.17 O ATOM 593 CB VAL E 84 57.884 53.356 19.512 1.00 8.23 C ATOM 594 CG1 VAL E 84 59.324 53.662 19.026 1.00 8.72 C ATOM 595 CG2 VAL E 84 57.663 51.781 19.492 1.00 10.11 C ATOM 596 N ALA E 85 57.233 56.246 20.612 1.00 8.20 N ATOM 597 CA ALA E 85 57.531 57.697 20.592 1.00 9.29 C ATOM 598 C ALA E 85 56.364 58.423 21.313 1.00 8.23 C ATOM 599 O ALA E 85 55.500 58.995 20.648 1.00 8.40 O ATOM 600 CB ALA E 85 57.691 58.186 19.104 1.00 9.15 C ATOM 601 N PRO E 86 56.341 58.320 22.641 1.00 8.53 N ATOM 602 CA PRO E 86 55.138 58.711 23.420 1.00 8.62 C ATOM 603 C PRO E 86 54.855 60.215 23.388 1.00 9.52 C ATOM 604 O PRO E 86 53.751 60.615 23.775 1.00 9.34 O ATOM 605 CB PRO E 86 55.455 58.210 24.846 1.00 9.75 C ATOM 606 CG PRO E 86 56.994 58.174 24.877 1.00 8.92 C ATOM 607 CD PRO E 86 57.398 57.722 23.510 1.00 8.14 C ATOM 608 N SER E 87 55.822 61.043 22.960 1.00 8.61 N ATOM 609 CA SER E 87 55.560 62.491 22.807 1.00 9.51 C ATOM 610 C SER E 87 55.256 62.926 21.384 1.00 9.40 C ATOM 611 O SER E 87 55.120 64.137 21.104 1.00 10.99 O ATOM 612 CB SER E 87 56.776 63.288 23.310 1.00 8.89 C ATOM 613 OG SER E 87 56.964 63.047 24.695 1.00 11.43 O ATOM 614 N ALA E 88 55.162 62.000 20.433 1.00 9.30 N ATOM 615 CA ALA E 88 54.959 62.407 19.056 1.00 10.00 C ATOM 616 C ALA E 88 53.615 63.094 18.883 1.00 9.97 C ATOM 617 O ALA E 88 52.657 62.830 19.658 1.00 11.44 O ATOM 618 CB ALA E 88 55.061 61.194 18.131 1.00 10.26 C ATOM 619 N SER E 89 53.551 63.968 17.881 1.00 10.45 N ATOM 620 CA SER E 89 52.297 64.621 17.486 1.00 10.90 C ATOM 621 C SER E 89 51.604 63.661 16.519 1.00 9.99 C ATOM 622 O SER E 89 52.068 63.454 15.389 1.00 10.73 O ATOM 623 CB SER E 89 52.566 65.976 16.801 1.00 11.69 C ATOM 624 OG SER E 89 53.141 66.889 17.757 1.00 13.42 O ATOM 625 N LEU E 90 50.503 63.083 16.994 1.00 10.92 N ATOM 626 CA LEU E 90 49.827 61.984 16.300 1.00 12.30 C ATOM 627 C LEU E 90 48.652 62.474 15.453 1.00 12.37 C ATOM 628 O LEU E 90 47.766 63.133 15.997 1.00 13.44 O ATOM 629 CB LEU E 90 49.322 61.025 17.389 1.00 13.46 C ATOM 630 CG LEU E 90 48.656 59.725 17.040 1.00 16.23 C ATOM 631 CD1 LEU E 90 49.681 58.818 16.292 1.00 17.97 C ATOM 632 CD2 LEU E 90 48.245 59.048 18.375 1.00 17.29 C ATOM 633 N TYR E 91 48.622 62.114 14.172 1.00 12.54 N ATOM 634 CA TYR E 91 47.551 62.568 13.277 1.00 12.38 C ATOM 635 C TYR E 91 46.738 61.383 12.762 1.00 12.71 C ATOM 636 O TYR E 91 47.291 60.412 12.267 1.00 13.50 O ATOM 637 CB TYR E 91 48.105 63.447 12.138 1.00 12.34 C ATOM 638 CG TYR E 91 48.680 64.737 12.664 1.00 12.29 C ATOM 639 CD1 TYR E 91 49.970 64.774 13.224 1.00 12.42 C ATOM 640 CD2 TYR E 91 47.907 65.902 12.684 1.00 14.82 C ATOM 641 CE1 TYR E 91 50.488 65.928 13.751 1.00 14.57 C ATOM 642 CE2 TYR E 91 48.427 67.089 13.218 1.00 15.91 C ATOM 643 CZ TYR E 91 49.733 67.096 13.726 1.00 16.22 C ATOM 644 OH TYR E 91 50.327 68.242 14.279 1.00 19.65 O ATOM 645 N ALA E 92 45.420 61.465 12.922 1.00 12.33 N ATOM 646 CA ALA E 92 44.532 60.419 12.412 1.00 11.85 C ATOM 647 C ALA E 92 44.136 60.770 10.978 1.00 12.98 C ATOM 648 O ALA E 92 43.308 61.663 10.771 1.00 13.28 O ATOM 649 CB ALA E 92 43.262 60.339 13.276 1.00 11.94 C ATOM 650 N VAL E 93 44.672 60.038 10.026 1.00 12.23 N ATOM 651 CA VAL E 93 44.322 60.238 8.609 1.00 13.78 C ATOM 652 C VAL E 93 43.521 59.011 8.171 1.00 13.12 C ATOM 653 O VAL E 93 44.077 57.975 7.808 1.00 14.09 O ATOM 654 CB VAL E 93 45.594 60.423 7.735 1.00 14.33 C ATOM 655 CG1 VAL E 93 45.229 60.688 6.248 1.00 14.38 C ATOM 656 CG2 VAL E 93 46.420 61.628 8.268 1.00 13.60 C ATOM 657 N LYS E 94 42.193 59.155 8.222 1.00 14.29 N ATOM 658 CA LYS E 94 41.308 58.023 8.005 1.00 14.70 C ATOM 659 C LYS E 94 41.079 57.771 6.522 1.00 14.96 C ATOM 660 O LYS E 94 40.509 58.647 5.836 1.00 15.23 O ATOM 661 CB LYS E 94 39.976 58.283 8.716 1.00 14.20 C ATOM 662 CG LYS E 94 39.073 57.048 8.581 1.00 16.45 C ATOM 663 CD LYS E 94 37.640 57.309 8.995 1.00 21.71 C ATOM 664 CE LYS E 94 37.391 56.927 10.406 1.00 23.78 C ATOM 665 NZ LYS E 94 35.913 56.861 10.755 1.00 21.63 N ATOM 666 N VAL E 95 41.546 56.627 6.025 1.00 13.82 N ATOM 667 CA VAL E 95 41.362 56.262 4.611 1.00 15.57 C ATOM 668 C VAL E 95 40.744 54.885 4.445 1.00 15.69 C ATOM 669 O VAL E 95 40.574 54.411 3.306 1.00 17.25 O ATOM 670 CB VAL E 95 42.706 56.265 3.846 1.00 14.82 C ATOM 671 CG1 VAL E 95 43.395 57.649 4.002 1.00 14.29 C ATOM 672 CG2 VAL E 95 43.676 55.126 4.357 1.00 14.86 C ATOM 673 N LEU E 96 40.473 54.219 5.572 1.00 16.57 N ATOM 674 CA LEU E 96 39.830 52.887 5.591 1.00 16.81 C ATOM 675 C LEU E 96 38.562 52.977 6.411 1.00 17.41 C ATOM 676 O LEU E 96 38.496 53.686 7.429 1.00 17.79 O ATOM 677 CB LEU E 96 40.756 51.833 6.241 1.00 15.78 C ATOM 678 CG LEU E 96 42.185 51.709 5.700 1.00 16.11 C ATOM 679 CD1 LEU E 96 43.002 50.666 6.499 1.00 14.28 C ATOM 680 CD2 LEU E 96 42.175 51.329 4.204 1.00 17.77 C ATOM 681 N GLY E 97 37.520 52.253 5.963 1.00 19.03 N ATOM 682 CA GLY E 97 36.258 52.261 6.671 1.00 19.58 C ATOM 683 C GLY E 97 36.204 51.190 7.748 1.00 20.23 C ATOM 684 O GLY E 97 37.199 50.469 7.991 1.00 20.38 O ATOM 685 N ALA E 98 35.032 51.069 8.371 1.00 20.08 N ATOM 686 CA ALA E 98 34.792 50.066 9.412 1.00 20.17 C ATOM 687 C ALA E 98 35.214 48.656 8.988 1.00 19.45 C ATOM 688 O ALA E 98 35.723 47.871 9.803 1.00 19.34 O ATOM 689 CB ALA E 98 33.314 50.077 9.858 1.00 20.52 C ATOM 690 N ASP E 99 35.001 48.309 7.714 1.00 19.35 N ATOM 691 CA ASP E 99 35.374 46.970 7.262 1.00 19.35 C ATOM 692 C ASP E 99 36.857 46.747 6.954 1.00 18.86 C ATOM 693 O ASP E 99 37.260 45.684 6.487 1.00 19.29 O ATOM 694 CB ASP E 99 34.461 46.481 6.114 1.00 20.53 C ATOM 695 CG ASP E 99 34.715 47.168 4.799 1.00 22.91 C ATOM 696 OD1 ASP E 99 35.713 47.940 4.642 1.00 21.33 O ATOM 697 OD2 ASP E 99 33.939 46.980 3.828 1.00 22.33 O ATOM 698 N GLY E 100 37.671 47.772 7.224 1.00 18.15 N ATOM 699 CA GLY E 100 39.111 47.640 7.051 1.00 16.76 C ATOM 700 C GLY E 100 39.615 47.863 5.638 1.00 16.14 C ATOM 701 O GLY E 100 40.780 47.583 5.359 1.00 14.83 O ATOM 702 N SER E 101 38.741 48.321 4.724 1.00 16.73 N ATOM 703 CA SER E 101 39.148 48.496 3.330 1.00 16.28 C ATOM 704 C SER E 101 38.978 49.939 2.865 1.00 15.56 C ATOM 705 O SER E 101 38.175 50.705 3.420 1.00 15.71 O ATOM 706 CB SER E 101 38.345 47.544 2.407 1.00 16.24 C ATOM 707 OG SER E 101 37.041 48.093 2.264 1.00 19.18 O ATOM 708 N GLY E 102 39.767 50.290 1.858 1.00 15.68 N ATOM 709 CA GLY E 102 39.610 51.577 1.210 1.00 17.32 C ATOM 710 C GLY E 102 39.947 51.541 -0.258 1.00 16.34 C ATOM 711 O GLY E 102 40.744 50.714 -0.724 1.00 16.94 O ATOM 712 N GLN E 103 39.358 52.484 -0.994 1.00 18.22 N ATOM 713 CA GLN E 103 39.695 52.680 -2.415 1.00 20.06 C ATOM 714 C GLN E 103 41.058 53.339 -2.554 1.00 19.66 C ATOM 715 O GLN E 103 41.428 54.156 -1.683 1.00 19.74 O ATOM 716 CB AGLN E 103 38.607 53.532 -3.089 0.50 20.47 C ATOM 717 CB BGLN E 103 38.619 53.531 -3.108 0.50 20.75 C ATOM 718 CG AGLN E 103 37.202 52.925 -2.950 0.50 22.28 C ATOM 719 CG BGLN E 103 37.279 52.806 -3.311 0.50 23.85 C ATOM 720 CD AGLN E 103 36.112 53.717 -3.660 0.50 24.82 C ATOM 721 CD BGLN E 103 37.356 51.667 -4.318 0.50 27.94 C ATOM 722 OE1AGLN E 103 36.391 54.535 -4.537 0.50 26.27 O ATOM 723 OE1BGLN E 103 37.923 51.820 -5.403 0.50 30.72 O ATOM 724 NE2AGLN E 103 34.865 53.471 -3.280 0.50 26.61 N ATOM 725 NE2BGLN E 103 36.785 50.516 -3.958 0.50 30.90 N ATOM 726 N TYR E 104 41.785 52.997 -3.623 1.00 19.11 N ATOM 727 CA TYR E 104 43.127 53.566 -3.878 1.00 19.56 C ATOM 728 C TYR E 104 43.115 55.105 -3.810 1.00 20.05 C ATOM 729 O TYR E 104 44.030 55.718 -3.243 1.00 17.78 O ATOM 730 CB TYR E 104 43.717 53.058 -5.207 1.00 19.66 C ATOM 731 CG TYR E 104 44.435 51.726 -5.118 1.00 21.01 C ATOM 732 CD1 TYR E 104 43.777 50.599 -4.636 1.00 25.28 C ATOM 733 CD2 TYR E 104 45.770 51.581 -5.532 1.00 22.30 C ATOM 734 CE1 TYR E 104 44.419 49.371 -4.574 1.00 25.19 C ATOM 735 CE2 TYR E 104 46.424 50.344 -5.465 1.00 24.94 C ATOM 736 CZ TYR E 104 45.740 49.249 -4.977 1.00 26.56 C ATOM 737 OH TYR E 104 46.331 48.005 -4.870 1.00 29.79 O ATOM 738 N SER E 105 42.076 55.734 -4.353 1.00 19.23 N ATOM 739 CA SER E 105 41.980 57.186 -4.309 1.00 20.03 C ATOM 740 C SER E 105 41.889 57.744 -2.885 1.00 19.74 C ATOM 741 O SER E 105 42.423 58.835 -2.640 1.00 18.54 O ATOM 742 CB SER E 105 40.822 57.714 -5.183 1.00 20.88 C ATOM 743 OG SER E 105 39.574 57.410 -4.598 1.00 22.31 O ATOM 744 N TRP E 106 41.253 57.007 -1.950 1.00 18.70 N ATOM 745 CA TRP E 106 41.164 57.473 -0.551 1.00 18.82 C ATOM 746 C TRP E 106 42.568 57.459 0.078 1.00 18.44 C ATOM 747 O TRP E 106 42.943 58.411 0.784 1.00 18.00 O ATOM 748 CB TRP E 106 40.220 56.599 0.300 1.00 19.92 C ATOM 749 CG TRP E 106 38.807 56.424 -0.265 1.00 19.80 C ATOM 750 CD1 TRP E 106 38.222 57.103 -1.342 1.00 23.07 C ATOM 751 CD2 TRP E 106 37.818 55.514 0.215 1.00 21.57 C ATOM 752 NE1 TRP E 106 36.933 56.648 -1.522 1.00 22.72 N ATOM 753 CE2 TRP E 106 36.667 55.657 -0.610 1.00 21.14 C ATOM 754 CE3 TRP E 106 37.785 54.575 1.257 1.00 20.04 C ATOM 755 CZ2 TRP E 106 35.493 54.904 -0.403 1.00 22.44 C ATOM 756 CZ3 TRP E 106 36.635 53.826 1.461 1.00 23.47 C ATOM 757 CH2 TRP E 106 35.506 53.983 0.614 1.00 22.63 C ATOM 758 N ILE E 107 43.329 56.393 -0.191 1.00 17.15 N ATOM 759 CA ILE E 107 44.701 56.279 0.361 1.00 16.34 C ATOM 760 C ILE E 107 45.567 57.416 -0.205 1.00 17.53 C ATOM 761 O ILE E 107 46.293 58.123 0.549 1.00 15.98 O ATOM 762 CB ILE E 107 45.331 54.868 0.092 1.00 17.23 C ATOM 763 CG1 ILE E 107 44.808 53.794 1.086 1.00 18.81 C ATOM 764 CG2 ILE E 107 46.857 54.903 0.243 1.00 18.77 C ATOM 765 CD1 ILE E 107 43.330 53.430 1.032 1.00 20.99 C ATOM 766 N ILE E 108 45.451 57.642 -1.518 1.00 16.71 N ATOM 767 CA ILE E 108 46.218 58.707 -2.161 1.00 16.68 C ATOM 768 C ILE E 108 45.844 60.076 -1.578 1.00 16.60 C ATOM 769 O ILE E 108 46.733 60.883 -1.294 1.00 17.19 O ATOM 770 CB ILE E 108 46.044 58.641 -3.714 1.00 16.55 C ATOM 771 CG1 ILE E 108 46.819 57.442 -4.254 1.00 16.88 C ATOM 772 CG2 ILE E 108 46.558 59.948 -4.404 1.00 18.07 C ATOM 773 CD1 ILE E 108 46.310 56.942 -5.651 1.00 19.80 C ATOM 774 N ASN E 109 44.551 60.338 -1.396 1.00 16.26 N ATOM 775 CA ASN E 109 44.109 61.583 -0.772 1.00 17.08 C ATOM 776 C ASN E 109 44.703 61.797 0.641 1.00 16.97 C ATOM 777 O ASN E 109 45.086 62.924 0.996 1.00 17.04 O ATOM 778 CB ASN E 109 42.588 61.699 -0.745 1.00 17.24 C ATOM 779 CG ASN E 109 41.998 61.974 -2.126 1.00 21.53 C ATOM 780 OD1 ASN E 109 42.691 62.440 -3.027 1.00 22.90 O ATOM 781 ND2 ASN E 109 40.707 61.685 -2.284 1.00 21.63 N ATOM 782 N GLY E 110 44.790 60.710 1.421 1.00 16.29 N ATOM 783 CA GLY E 110 45.395 60.782 2.751 1.00 15.04 C ATOM 784 C GLY E 110 46.892 61.090 2.669 1.00 15.63 C ATOM 785 O GLY E 110 47.375 61.888 3.491 1.00 15.30 O ATOM 786 N ILE E 111 47.604 60.442 1.738 1.00 14.37 N ATOM 787 CA ILE E 111 49.027 60.726 1.542 1.00 14.67 C ATOM 788 C ILE E 111 49.194 62.203 1.144 1.00 15.82 C ATOM 789 O ILE E 111 50.052 62.898 1.704 1.00 15.04 O ATOM 790 CB ILE E 111 49.665 59.797 0.492 1.00 14.97 C ATOM 791 CG1 ILE E 111 49.671 58.334 0.997 1.00 13.68 C ATOM 792 CG2 ILE E 111 51.108 60.259 0.151 1.00 16.03 C ATOM 793 CD1 ILE E 111 49.867 57.295 -0.127 1.00 14.55 C ATOM 794 N GLU E 112 48.375 62.666 0.196 1.00 15.43 N ATOM 795 CA GLU E 112 48.411 64.091 -0.167 1.00 16.11 C ATOM 796 C GLU E 112 48.127 65.045 0.991 1.00 16.04 C ATOM 797 O GLU E 112 48.818 66.079 1.122 1.00 16.85 O ATOM 798 CB GLU E 112 47.452 64.376 -1.358 1.00 17.73 C ATOM 799 CG GLU E 112 47.872 63.695 -2.653 1.00 18.99 C ATOM 800 CD GLU E 112 48.976 64.388 -3.429 1.00 26.31 C ATOM 801 OE1 GLU E 112 49.595 65.362 -2.934 1.00 25.00 O ATOM 802 OE2 GLU E 112 49.252 63.922 -4.565 1.00 31.36 O ATOM 803 N TRP E 113 47.167 64.710 1.860 1.00 15.43 N ATOM 804 CA TRP E 113 46.868 65.524 3.047 1.00 15.23 C ATOM 805 C TRP E 113 48.112 65.549 3.944 1.00 15.62 C ATOM 806 O TRP E 113 48.477 66.584 4.490 1.00 14.64 O ATOM 807 CB TRP E 113 45.661 64.982 3.816 1.00 15.39 C ATOM 808 CG TRP E 113 45.284 65.808 5.019 1.00 16.46 C ATOM 809 CD1 TRP E 113 44.332 66.816 5.079 1.00 17.90 C ATOM 810 CD2 TRP E 113 45.882 65.759 6.334 1.00 17.18 C ATOM 811 NE1 TRP E 113 44.286 67.351 6.341 1.00 18.99 N ATOM 812 CE2 TRP E 113 45.216 66.718 7.135 1.00 18.68 C ATOM 813 CE3 TRP E 113 46.893 64.964 6.926 1.00 17.05 C ATOM 814 CZ2 TRP E 113 45.561 66.954 8.486 1.00 19.10 C ATOM 815 CZ3 TRP E 113 47.226 65.196 8.287 1.00 17.79 C ATOM 816 CH2 TRP E 113 46.556 66.174 9.038 1.00 16.84 C ATOM 817 N ALA E 114 48.768 64.394 4.101 1.00 14.34 N ATOM 818 CA ALA E 114 49.956 64.338 4.963 1.00 14.45 C ATOM 819 C ALA E 114 51.073 65.253 4.451 1.00 15.09 C ATOM 820 O ALA E 114 51.725 65.955 5.243 1.00 15.37 O ATOM 821 CB ALA E 114 50.459 62.900 5.097 1.00 14.43 C ATOM 822 N ILE E 115 51.293 65.250 3.130 1.00 14.98 N ATOM 823 CA ILE E 115 52.312 66.116 2.518 1.00 16.00 C ATOM 824 C ILE E 115 51.931 67.581 2.755 1.00 17.05 C ATOM 825 O ILE E 115 52.764 68.378 3.207 1.00 17.24 O ATOM 826 CB ILE E 115 52.443 65.841 1.002 1.00 16.04 C ATOM 827 CG1 ILE E 115 52.946 64.419 0.732 1.00 17.44 C ATOM 828 CG2 ILE E 115 53.404 66.861 0.344 1.00 17.43 C ATOM 829 CD1 ILE E 115 52.845 63.998 -0.758 1.00 15.98 C ATOM 830 N ALA E 116 50.683 67.933 2.452 1.00 16.70 N ATOM 831 CA ALA E 116 50.217 69.337 2.587 1.00 17.67 C ATOM 832 C ALA E 116 50.274 69.867 4.023 1.00 17.95 C ATOM 833 O ALA E 116 50.415 71.090 4.250 1.00 19.21 O ATOM 834 CB ALA E 116 48.783 69.472 2.049 1.00 17.92 C ATOM 835 N ASN E 117 50.135 68.959 4.997 1.00 16.87 N ATOM 836 CA ASN E 117 50.164 69.313 6.403 1.00 16.32 C ATOM 837 C ASN E 117 51.515 69.111 7.118 1.00 15.15 C ATOM 838 O ASN E 117 51.585 69.150 8.365 1.00 15.61 O ATOM 839 CB ASN E 117 49.003 68.642 7.120 1.00 16.39 C ATOM 840 CG ASN E 117 47.670 69.302 6.752 1.00 19.71 C ATOM 841 OD1 ASN E 117 47.208 70.223 7.449 1.00 22.60 O ATOM 842 ND2 ASN E 117 47.083 68.879 5.625 1.00 19.43 N ATOM 843 N ASN E 118 52.556 68.912 6.314 1.00 16.12 N ATOM 844 CA ASN E 118 53.953 68.869 6.771 1.00 16.43 C ATOM 845 C ASN E 118 54.217 67.754 7.785 1.00 15.89 C ATOM 846 O ASN E 118 54.914 67.936 8.783 1.00 15.69 O ATOM 847 CB ASN E 118 54.376 70.236 7.342 1.00 18.76 C ATOM 848 CG ASN E 118 54.216 71.348 6.317 1.00 21.91 C ATOM 849 OD1 ASN E 118 54.753 71.272 5.216 1.00 25.40 O ATOM 850 ND2 ASN E 118 53.449 72.374 6.675 1.00 27.87 N ATOM 851 N MET E 119 53.623 66.598 7.536 1.00 14.76 N ATOM 852 CA MET E 119 53.980 65.431 8.338 1.00 12.37 C ATOM 853 C MET E 119 55.444 65.059 8.138 1.00 12.52 C ATOM 854 O MET E 119 55.972 65.133 7.020 1.00 14.40 O ATOM 855 CB MET E 119 53.099 64.236 7.919 1.00 12.37 C ATOM 856 CG MET E 119 51.606 64.419 8.272 1.00 13.34 C ATOM 857 SD MET E 119 51.132 64.569 9.991 1.00 13.20 S ATOM 858 CE MET E 119 50.631 66.391 10.010 1.00 13.76 C ATOM 859 N ASP E 120 56.090 64.639 9.233 1.00 10.85 N ATOM 860 CA ASP E 120 57.481 64.156 9.207 1.00 9.96 C ATOM 861 C ASP E 120 57.559 62.668 8.861 1.00 9.44 C ATOM 862 O ASP E 120 58.529 62.217 8.242 1.00 10.39 O ATOM 863 CB ASP E 120 58.147 64.399 10.559 1.00 10.20 C ATOM 864 CG ASP E 120 58.164 65.885 10.903 1.00 12.14 C ATOM 865 OD1 ASP E 120 58.770 66.650 10.077 1.00 14.13 O ATOM 866 OD2 ASP E 120 57.575 66.330 11.913 1.00 12.22 O ATOM 867 N VAL E 121 56.524 61.922 9.285 1.00 10.68 N ATOM 868 CA VAL E 121 56.514 60.449 9.128 1.00 9.15 C ATOM 869 C VAL E 121 55.095 60.016 8.756 1.00 9.85 C ATOM 870 O VAL E 121 54.134 60.546 9.301 1.00 10.21 O ATOM 871 CB VAL E 121 56.906 59.718 10.472 1.00 9.36 C ATOM 872 CG1 VAL E 121 56.941 58.195 10.286 1.00 9.83 C ATOM 873 CG2 VAL E 121 58.268 60.225 11.029 1.00 9.07 C ATOM 874 N ILE E 122 55.006 59.099 7.793 1.00 9.98 N ATOM 875 CA ILE E 122 53.739 58.411 7.490 1.00 9.75 C ATOM 876 C ILE E 122 53.871 56.931 7.849 1.00 10.53 C ATOM 877 O ILE E 122 54.841 56.291 7.481 1.00 10.90 O ATOM 878 CB ILE E 122 53.441 58.506 5.984 1.00 10.78 C ATOM 879 CG1 ILE E 122 52.966 59.922 5.669 1.00 11.38 C ATOM 880 CG2 ILE E 122 52.370 57.420 5.569 1.00 11.17 C ATOM 881 CD1 ILE E 122 52.919 60.228 4.164 1.00 12.49 C ATOM 882 N ASN E 123 52.867 56.412 8.567 1.00 10.40 N ATOM 883 CA ASN E 123 52.772 54.962 8.741 1.00 9.57 C ATOM 884 C ASN E 123 51.585 54.434 7.963 1.00 10.23 C ATOM 885 O ASN E 123 50.479 54.958 8.147 1.00 9.21 O ATOM 886 CB ASN E 123 52.573 54.607 10.216 1.00 9.56 C ATOM 887 CG ASN E 123 52.530 53.074 10.417 1.00 9.80 C ATOM 888 OD1 ASN E 123 53.592 52.430 10.542 1.00 10.25 O ATOM 889 ND2 ASN E 123 51.308 52.500 10.416 1.00 11.08 N ATOM 890 N MET E 124 51.812 53.405 7.126 1.00 10.53 N ATOM 891 CA MET E 124 50.703 52.757 6.392 1.00 10.20 C ATOM 892 C MET E 124 50.638 51.244 6.699 1.00 10.41 C ATOM 893 O MET E 124 51.341 50.450 6.057 1.00 10.75 O ATOM 894 CB MET E 124 50.857 52.981 4.889 1.00 10.96 C ATOM 895 CG MET E 124 50.274 54.326 4.524 1.00 11.80 C ATOM 896 SD MET E 124 50.414 54.764 2.750 1.00 14.23 S ATOM 897 CE MET E 124 52.065 54.813 2.540 1.00 14.04 C ATOM 898 N SER E 125 49.837 50.886 7.698 1.00 10.43 N ATOM 899 CA SER E 125 49.684 49.475 8.087 1.00 9.88 C ATOM 900 C SER E 125 48.579 48.874 7.211 1.00 11.76 C ATOM 901 O SER E 125 47.519 48.478 7.691 1.00 11.49 O ATOM 902 CB SER E 125 49.340 49.367 9.569 1.00 9.87 C ATOM 903 OG SER E 125 50.559 49.586 10.331 1.00 10.66 O ATOM 904 N LEU E 126 48.841 48.913 5.917 1.00 12.75 N ATOM 905 CA LEU E 126 47.819 48.573 4.933 1.00 13.38 C ATOM 906 C LEU E 126 48.500 48.091 3.654 1.00 14.32 C ATOM 907 O LEU E 126 49.703 48.317 3.443 1.00 14.29 O ATOM 908 CB LEU E 126 46.867 49.765 4.722 1.00 13.25 C ATOM 909 CG LEU E 126 47.451 51.155 4.450 1.00 13.65 C ATOM 910 CD1 LEU E 126 48.206 51.168 3.098 1.00 16.31 C ATOM 911 CD2 LEU E 126 46.352 52.243 4.528 1.00 14.64 C ATOM 912 N GLY E 127 47.744 47.434 2.772 1.00 15.33 N ATOM 913 CA GLY E 127 48.353 46.992 1.528 1.00 16.36 C ATOM 914 C GLY E 127 47.354 46.319 0.598 1.00 18.22 C ATOM 915 O GLY E 127 46.248 46.008 1.000 1.00 16.51 O ATOM 916 N GLY E 128 47.767 46.152 -0.653 1.00 18.92 N ATOM 917 CA GLY E 128 47.045 45.304 -1.598 1.00 20.21 C ATOM 918 C GLY E 128 48.036 44.681 -2.555 1.00 20.50 C ATOM 919 O GLY E 128 49.173 45.143 -2.681 1.00 20.12 O ATOM 920 N PRO E 129 47.632 43.606 -3.241 1.00 21.14 N ATOM 921 CA PRO E 129 48.547 42.875 -4.123 1.00 21.54 C ATOM 922 C PRO E 129 48.934 43.581 -5.422 1.00 21.85 C ATOM 923 O PRO E 129 49.928 43.142 -6.018 1.00 23.84 O ATOM 924 CB PRO E 129 47.760 41.598 -4.449 1.00 21.42 C ATOM 925 CG PRO E 129 46.330 42.020 -4.331 1.00 21.37 C ATOM 926 CD PRO E 129 46.303 42.967 -3.135 1.00 21.50 C ATOM 927 N SER E 130 48.187 44.597 -5.846 1.00 22.65 N ATOM 928 CA SER E 130 48.511 45.365 -7.056 1.00 24.75 C ATOM 929 C SER E 130 48.884 46.805 -6.726 1.00 25.67 C ATOM 930 O SER E 130 48.352 47.391 -5.782 1.00 27.73 O ATOM 931 CB SER E 130 47.331 45.400 -8.043 1.00 24.45 C ATOM 932 OG ASER E 130 46.144 45.857 -7.429 0.50 24.65 O ATOM 933 OG BSER E 130 46.551 44.227 -7.966 0.50 24.57 O ATOM 934 N GLY E 131 49.752 47.376 -7.540 1.00 26.70 N ATOM 935 CA GLY E 131 50.037 48.798 -7.422 1.00 26.75 C ATOM 936 C GLY E 131 49.162 49.615 -8.353 1.00 26.98 C ATOM 937 O GLY E 131 48.234 49.080 -8.995 1.00 27.29 O ATOM 938 N SER E 132 49.414 50.916 -8.393 1.00 25.14 N ATOM 939 CA SER E 132 48.924 51.773 -9.466 1.00 23.72 C ATOM 940 C SER E 132 49.949 52.890 -9.652 1.00 23.89 C ATOM 941 O SER E 132 50.686 53.239 -8.715 1.00 22.65 O ATOM 942 CB SER E 132 47.526 52.332 -9.172 1.00 23.72 C ATOM 943 OG SER E 132 47.530 53.428 -8.261 1.00 21.73 O ATOM 944 N ALA E 133 49.995 53.460 -10.851 1.00 23.49 N ATOM 945 CA ALA E 133 50.874 54.587 -11.105 1.00 23.02 C ATOM 946 C ALA E 133 50.570 55.758 -10.151 1.00 22.16 C ATOM 947 O ALA E 133 51.501 56.421 -9.681 1.00 22.36 O ATOM 948 CB ALA E 133 50.758 55.031 -12.577 1.00 23.66 C ATOM 949 N ALA E 134 49.290 56.010 -9.888 1.00 20.64 N ATOM 950 CA ALA E 134 48.893 57.102 -9.024 1.00 20.85 C ATOM 951 C ALA E 134 49.354 56.826 -7.580 1.00 20.53 C ATOM 952 O ALA E 134 49.754 57.776 -6.870 1.00 20.80 O ATOM 953 CB ALA E 134 47.376 57.359 -9.084 1.00 20.84 C ATOM 954 N LEU E 135 49.294 55.555 -7.148 1.00 19.81 N ATOM 955 CA LEU E 135 49.752 55.235 -5.782 1.00 19.40 C ATOM 956 C LEU E 135 51.245 55.461 -5.674 1.00 19.49 C ATOM 957 O LEU E 135 51.729 56.083 -4.688 1.00 18.84 O ATOM 958 CB LEU E 135 49.421 53.796 -5.404 1.00 19.55 C ATOM 959 CG LEU E 135 49.771 53.388 -3.952 1.00 19.38 C ATOM 960 CD1 LEU E 135 49.023 54.280 -2.948 1.00 17.49 C ATOM 961 CD2 LEU E 135 49.463 51.887 -3.717 1.00 19.59 C ATOM 962 N LYS E 136 51.983 54.951 -6.662 1.00 18.77 N ATOM 963 CA LYS E 136 53.430 55.113 -6.689 1.00 18.40 C ATOM 964 C LYS E 136 53.809 56.599 -6.716 1.00 18.54 C ATOM 965 O LYS E 136 54.756 57.025 -6.024 1.00 17.81 O ATOM 966 CB LYS E 136 54.072 54.364 -7.867 1.00 18.35 C ATOM 967 CG LYS E 136 55.598 54.362 -7.782 1.00 19.62 C ATOM 968 CD LYS E 136 56.258 53.703 -8.982 1.00 20.41 C ATOM 969 CE LYS E 136 57.748 53.450 -8.754 1.00 22.88 C ATOM 970 NZ LYS E 136 58.587 54.708 -8.775 1.00 22.37 N ATOM 971 N ALA E 137 53.061 57.408 -7.466 1.00 19.35 N ATOM 972 CA ALA E 137 53.392 58.833 -7.544 1.00 18.91 C ATOM 973 C ALA E 137 53.181 59.534 -6.199 1.00 18.69 C ATOM 974 O ALA E 137 53.959 60.419 -5.839 1.00 19.11 O ATOM 975 CB ALA E 137 52.555 59.517 -8.641 1.00 19.69 C ATOM 976 N ALA E 138 52.146 59.121 -5.456 1.00 17.64 N ATOM 977 CA ALA E 138 51.834 59.744 -4.157 1.00 16.75 C ATOM 978 C ALA E 138 52.942 59.428 -3.146 1.00 16.10 C ATOM 979 O ALA E 138 53.452 60.361 -2.477 1.00 16.02 O ATOM 980 CB ALA E 138 50.483 59.289 -3.644 1.00 17.68 C ATOM 981 N VAL E 139 53.353 58.155 -3.045 1.00 15.37 N ATOM 982 CA VAL E 139 54.441 57.832 -2.105 1.00 15.51 C ATOM 983 C VAL E 139 55.781 58.464 -2.505 1.00 15.94 C ATOM 984 O VAL E 139 56.530 58.965 -1.643 1.00 15.66 O ATOM 985 CB VAL E 139 54.576 56.284 -1.788 1.00 14.30 C ATOM 986 CG1 VAL E 139 53.320 55.789 -1.042 1.00 15.74 C ATOM 987 CG2 VAL E 139 54.932 55.407 -3.020 1.00 15.74 C ATOM 988 N ASP E 140 56.076 58.468 -3.814 1.00 16.01 N ATOM 989 CA ASP E 140 57.318 59.052 -4.302 1.00 16.47 C ATOM 990 C ASP E 140 57.300 60.550 -4.045 1.00 16.09 C ATOM 991 O ASP E 140 58.343 61.105 -3.672 1.00 16.64 O ATOM 992 CB ASP E 140 57.500 58.807 -5.815 1.00 16.89 C ATOM 993 CG ASP E 140 57.800 57.369 -6.169 1.00 20.37 C ATOM 994 OD1 ASP E 140 58.021 56.501 -5.276 1.00 17.37 O ATOM 995 OD2 ASP E 140 57.884 57.026 -7.381 1.00 19.95 O ATOM 996 N LYS E 141 56.135 61.189 -4.197 1.00 15.43 N ATOM 997 CA LYS E 141 56.002 62.623 -3.906 1.00 16.84 C ATOM 998 C LYS E 141 56.253 62.935 -2.421 1.00 16.46 C ATOM 999 O LYS E 141 56.959 63.899 -2.068 1.00 16.97 O ATOM 1000 CB LYS E 141 54.626 63.156 -4.380 1.00 17.43 C ATOM 1001 CG LYS E 141 54.400 64.648 -4.193 1.00 19.12 C ATOM 1002 CD LYS E 141 52.962 65.041 -4.484 1.00 23.50 C ATOM 1003 CE LYS E 141 52.673 66.519 -4.254 1.00 25.62 C ATOM 1004 NZ LYS E 141 51.279 66.775 -4.733 1.00 28.95 N ATOM 1005 N ALA E 142 55.681 62.099 -1.548 1.00 15.22 N ATOM 1006 CA ALA E 142 55.892 62.293 -0.109 1.00 14.32 C ATOM 1007 C ALA E 142 57.376 62.206 0.242 1.00 13.41 C ATOM 1008 O ALA E 142 57.905 63.039 1.023 1.00 12.52 O ATOM 1009 CB ALA E 142 55.069 61.247 0.706 1.00 13.97 C ATOM 1010 N VAL E 143 58.052 61.212 -0.319 1.00 12.90 N ATOM 1011 CA VAL E 143 59.472 61.019 -0.038 1.00 12.91 C ATOM 1012 C VAL E 143 60.289 62.162 -0.648 1.00 13.93 C ATOM 1013 O VAL E 143 61.206 62.667 0.013 1.00 13.78 O ATOM 1014 CB VAL E 143 59.947 59.647 -0.523 1.00 13.81 C ATOM 1015 CG1 VAL E 143 61.464 59.501 -0.436 1.00 12.78 C ATOM 1016 CG2 VAL E 143 59.278 58.546 0.327 1.00 12.80 C ATOM 1017 N ALA E 144 59.917 62.593 -1.862 1.00 14.61 N ATOM 1018 CA ALA E 144 60.650 63.705 -2.467 1.00 15.38 C ATOM 1019 C ALA E 144 60.512 64.961 -1.625 1.00 16.90 C ATOM 1020 O ALA E 144 61.455 65.811 -1.613 1.00 17.98 O ATOM 1021 CB ALA E 144 60.170 63.960 -3.929 1.00 15.28 C ATOM 1022 N SER E 145 59.368 65.092 -0.942 1.00 15.86 N ATOM 1023 CA SER E 145 59.073 66.244 -0.066 1.00 17.04 C ATOM 1024 C SER E 145 59.677 66.161 1.324 1.00 15.07 C ATOM 1025 O SER E 145 59.478 67.081 2.125 1.00 15.25 O ATOM 1026 CB SER E 145 57.569 66.457 0.095 1.00 16.61 C ATOM 1027 OG SER E 145 56.929 66.601 -1.169 1.00 23.06 O ATOM 1028 N GLY E 146 60.373 65.056 1.647 1.00 13.87 N ATOM 1029 CA GLY E 146 61.040 64.954 2.930 1.00 12.00 C ATOM 1030 C GLY E 146 60.428 64.019 3.969 1.00 11.65 C ATOM 1031 O GLY E 146 60.952 63.942 5.074 1.00 11.42 O ATOM 1032 N VAL E 147 59.333 63.364 3.624 1.00 12.09 N ATOM 1033 CA VAL E 147 58.576 62.525 4.601 1.00 11.29 C ATOM 1034 C VAL E 147 59.195 61.116 4.684 1.00 11.47 C ATOM 1035 O VAL E 147 59.520 60.525 3.648 1.00 11.25 O ATOM 1036 CB VAL E 147 57.065 62.394 4.179 1.00 11.88 C ATOM 1037 CG1 VAL E 147 56.266 61.641 5.302 1.00 12.35 C ATOM 1038 CG2 VAL E 147 56.399 63.778 3.931 1.00 12.38 C ATOM 1039 N VAL E 148 59.352 60.582 5.905 1.00 10.20 N ATOM 1040 CA VAL E 148 59.745 59.176 6.062 1.00 9.97 C ATOM 1041 C VAL E 148 58.455 58.347 5.899 1.00 9.40 C ATOM 1042 O VAL E 148 57.514 58.550 6.659 1.00 10.55 O ATOM 1043 CB VAL E 148 60.310 58.891 7.481 1.00 10.18 C ATOM 1044 CG1 VAL E 148 60.601 57.406 7.660 1.00 10.24 C ATOM 1045 CG2 VAL E 148 61.659 59.698 7.694 1.00 10.65 C ATOM 1046 N VAL E 149 58.444 57.441 4.918 1.00 9.88 N ATOM 1047 CA VAL E 149 57.230 56.663 4.615 1.00 10.04 C ATOM 1048 C VAL E 149 57.463 55.179 4.967 1.00 10.25 C ATOM 1049 O VAL E 149 58.369 54.546 4.416 1.00 11.43 O ATOM 1050 CB VAL E 149 56.809 56.819 3.117 1.00 9.88 C ATOM 1051 CG1 VAL E 149 55.488 56.054 2.886 1.00 11.84 C ATOM 1052 CG2 VAL E 149 56.593 58.300 2.804 1.00 12.48 C ATOM 1053 N VAL E 150 56.650 54.637 5.886 1.00 9.91 N ATOM 1054 CA VAL E 150 56.834 53.262 6.388 1.00 10.02 C ATOM 1055 C VAL E 150 55.540 52.503 6.110 1.00 10.13 C ATOM 1056 O VAL E 150 54.469 53.051 6.292 1.00 10.92 O ATOM 1057 CB VAL E 150 57.062 53.287 7.933 1.00 9.77 C ATOM 1058 CG1 VAL E 150 57.431 51.884 8.497 1.00 11.16 C ATOM 1059 CG2 VAL E 150 58.223 54.299 8.273 1.00 10.31 C ATOM 1060 N ALA E 151 55.662 51.243 5.675 1.00 10.35 N ATOM 1061 CA ALA E 151 54.444 50.428 5.463 1.00 10.62 C ATOM 1062 C ALA E 151 54.630 48.966 5.864 1.00 9.87 C ATOM 1063 O ALA E 151 55.737 48.458 5.857 1.00 11.79 O ATOM 1064 CB ALA E 151 54.016 50.506 3.973 1.00 10.27 C ATOM 1065 N ALA E 152 53.516 48.311 6.194 1.00 10.99 N ATOM 1066 CA ALA E 152 53.552 46.858 6.433 1.00 11.46 C ATOM 1067 C ALA E 152 53.971 46.131 5.143 1.00 11.95 C ATOM 1068 O ALA E 152 53.496 46.476 4.056 1.00 12.18 O ATOM 1069 CB ALA E 152 52.154 46.402 6.874 1.00 12.03 C ATOM 1070 N ALA E 153 54.799 45.095 5.272 1.00 12.25 N ATOM 1071 CA ALA E 153 55.201 44.306 4.080 1.00 12.84 C ATOM 1072 C ALA E 153 54.039 43.523 3.469 1.00 14.55 C ATOM 1073 O ALA E 153 54.003 43.347 2.244 1.00 14.34 O ATOM 1074 CB ALA E 153 56.369 43.342 4.418 1.00 14.99 C ATOM 1075 N GLY E 154 53.081 43.109 4.315 1.00 13.52 N ATOM 1076 CA GLY E 154 51.982 42.212 3.946 1.00 13.76 C ATOM 1077 C GLY E 154 52.041 40.932 4.782 1.00 13.71 C ATOM 1078 O GLY E 154 53.061 40.598 5.398 1.00 13.53 O ATOM 1079 N ASN E 155 50.922 40.191 4.777 1.00 14.82 N ATOM 1080 CA ASN E 155 50.806 38.946 5.543 1.00 14.84 C ATOM 1081 C ASN E 155 50.547 37.751 4.610 1.00 16.30 C ATOM 1082 O ASN E 155 49.734 36.863 4.943 1.00 16.54 O ATOM 1083 CB ASN E 155 49.649 39.014 6.533 1.00 14.43 C ATOM 1084 CG ASN E 155 49.805 40.153 7.560 1.00 13.50 C ATOM 1085 OD1 ASN E 155 50.927 40.586 7.881 1.00 13.87 O ATOM 1086 ND2 ASN E 155 48.695 40.568 8.112 1.00 12.76 N ATOM 1087 N GLU E 156 51.287 37.724 3.506 1.00 16.91 N ATOM 1088 CA GLU E 156 51.037 36.710 2.446 1.00 19.84 C ATOM 1089 C GLU E 156 51.890 35.466 2.601 1.00 21.08 C ATOM 1090 O GLU E 156 51.766 34.501 1.784 1.00 23.24 O ATOM 1091 CB GLU E 156 51.310 37.322 1.089 1.00 20.14 C ATOM 1092 CG GLU E 156 50.439 38.498 0.753 1.00 23.20 C ATOM 1093 CD GLU E 156 48.978 38.148 0.750 1.00 27.80 C ATOM 1094 OE1 GLU E 156 48.625 37.140 0.091 1.00 33.37 O ATOM 1095 OE2 GLU E 156 48.186 38.845 1.401 1.00 31.24 O ATOM 1096 N GLY E 157 52.787 35.453 3.577 1.00 20.96 N ATOM 1097 CA GLY E 157 53.664 34.318 3.828 1.00 21.55 C ATOM 1098 C GLY E 157 54.600 34.053 2.652 1.00 22.48 C ATOM 1099 O GLY E 157 54.991 34.975 1.951 1.00 21.93 O ATOM 1100 N THR E 158 54.939 32.785 2.427 1.00 23.25 N ATOM 1101 CA THR E 158 55.814 32.421 1.301 1.00 25.35 C ATOM 1102 C THR E 158 55.050 31.874 0.083 1.00 26.89 C ATOM 1103 O THR E 158 53.885 31.448 0.174 1.00 26.59 O ATOM 1104 CB THR E 158 56.891 31.391 1.724 1.00 25.42 C ATOM 1105 OG1 THR E 158 56.239 30.223 2.243 1.00 27.88 O ATOM 1106 CG2 THR E 158 57.747 31.888 2.889 1.00 25.56 C ATOM 1107 N SER E 159 55.714 31.922 -1.068 1.00 28.35 N ATOM 1108 CA SER E 159 55.157 31.391 -2.309 1.00 29.86 C ATOM 1109 C SER E 159 56.348 31.007 -3.178 1.00 29.85 C ATOM 1110 O SER E 159 56.605 31.633 -4.205 1.00 30.26 O ATOM 1111 CB SER E 159 54.288 32.440 -2.979 1.00 29.66 C ATOM 1112 OG SER E 159 53.607 31.913 -4.101 1.00 34.31 O ATOM 1113 N GLY E 160 57.103 30.016 -2.707 1.00 30.97 N ATOM 1114 CA GLY E 160 58.302 29.549 -3.375 1.00 31.51 C ATOM 1115 C GLY E 160 59.364 30.620 -3.412 1.00 32.35 C ATOM 1116 O GLY E 160 59.789 31.135 -2.371 1.00 32.40 O ATOM 1117 N SER E 161 59.787 30.972 -4.622 1.00 32.31 N ATOM 1118 CA SER E 161 60.813 31.994 -4.805 1.00 32.07 C ATOM 1119 C SER E 161 60.204 33.355 -5.177 1.00 30.75 C ATOM 1120 O SER E 161 60.940 34.296 -5.445 1.00 31.14 O ATOM 1121 CB SER E 161 61.791 31.545 -5.898 1.00 33.48 C ATOM 1122 OG SER E 161 61.167 31.672 -7.174 1.00 35.80 O ATOM 1123 N SER E 162 58.875 33.455 -5.211 1.00 29.02 N ATOM 1124 CA SER E 162 58.206 34.691 -5.606 1.00 27.97 C ATOM 1125 C SER E 162 58.183 35.677 -4.436 1.00 26.36 C ATOM 1126 O SER E 162 58.004 35.268 -3.291 1.00 25.99 O ATOM 1127 CB SER E 162 56.763 34.437 -6.001 1.00 28.46 C ATOM 1128 OG SER E 162 56.678 33.702 -7.222 1.00 31.74 O ATOM 1129 N SER E 163 58.305 36.961 -4.748 1.00 24.69 N ATOM 1130 CA SER E 163 58.056 37.984 -3.734 1.00 22.60 C ATOM 1131 C SER E 163 56.562 38.020 -3.392 1.00 22.29 C ATOM 1132 O SER E 163 55.701 37.911 -4.267 1.00 22.12 O ATOM 1133 CB SER E 163 58.501 39.352 -4.246 1.00 22.24 C ATOM 1134 OG SER E 163 58.017 40.369 -3.366 1.00 21.09 O ATOM 1135 N THR E 164 56.238 38.180 -2.108 1.00 20.01 N ATOM 1136 CA THR E 164 54.863 38.352 -1.693 1.00 18.97 C ATOM 1137 C THR E 164 54.638 39.683 -0.950 1.00 17.67 C ATOM 1138 O THR E 164 53.577 39.907 -0.368 1.00 17.17 O ATOM 1139 CB THR E 164 54.404 37.196 -0.788 1.00 19.48 C ATOM 1140 OG1 THR E 164 55.178 37.179 0.418 1.00 18.50 O ATOM 1141 CG2 THR E 164 54.737 35.829 -1.462 1.00 20.36 C ATOM 1142 N VAL E 165 55.624 40.573 -1.034 1.00 17.91 N ATOM 1143 CA VAL E 165 55.441 41.946 -0.532 1.00 16.86 C ATOM 1144 C VAL E 165 54.368 42.681 -1.344 1.00 17.70 C ATOM 1145 O VAL E 165 54.452 42.741 -2.599 1.00 19.23 O ATOM 1146 CB VAL E 165 56.802 42.728 -0.551 1.00 15.64 C ATOM 1147 CG1 VAL E 165 56.622 44.199 -0.094 1.00 15.16 C ATOM 1148 CG2 VAL E 165 57.821 42.023 0.283 1.00 16.56 C ATOM 1149 N GLY E 166 53.362 43.239 -0.672 1.00 16.50 N ATOM 1150 CA GLY E 166 52.341 44.025 -1.340 1.00 16.74 C ATOM 1151 C GLY E 166 52.654 45.516 -1.434 1.00 17.02 C ATOM 1152 O GLY E 166 53.731 45.961 -1.000 1.00 16.91 O ATOM 1153 N TYR E 167 51.709 46.262 -1.999 1.00 16.04 N ATOM 1154 CA TYR E 167 51.850 47.704 -2.233 1.00 17.10 C ATOM 1155 C TYR E 167 51.077 48.472 -1.154 1.00 16.28 C ATOM 1156 O TYR E 167 49.977 48.043 -0.759 1.00 16.42 O ATOM 1157 CB TYR E 167 51.266 48.038 -3.616 1.00 16.07 C ATOM 1158 CG TYR E 167 52.029 47.401 -4.757 1.00 18.53 C ATOM 1159 CD1 TYR E 167 53.089 48.065 -5.370 1.00 20.93 C ATOM 1160 CD2 TYR E 167 51.682 46.126 -5.221 1.00 21.66 C ATOM 1161 CE1 TYR E 167 53.795 47.480 -6.433 1.00 22.43 C ATOM 1162 CE2 TYR E 167 52.377 45.529 -6.293 1.00 22.22 C ATOM 1163 CZ TYR E 167 53.422 46.218 -6.884 1.00 24.69 C ATOM 1164 OH TYR E 167 54.125 45.633 -7.915 1.00 26.20 O ATOM 1165 N PRO E 168 51.559 49.631 -0.681 1.00 15.41 N ATOM 1166 CA PRO E 168 52.739 50.365 -1.180 1.00 15.00 C ATOM 1167 C PRO E 168 54.120 49.934 -0.670 1.00 14.45 C ATOM 1168 O PRO E 168 55.142 50.470 -1.119 1.00 13.86 O ATOM 1169 CB PRO E 168 52.420 51.818 -0.759 1.00 14.80 C ATOM 1170 CG PRO E 168 51.651 51.675 0.529 1.00 14.35 C ATOM 1171 CD PRO E 168 50.797 50.381 0.336 1.00 15.80 C ATOM 1172 N GLY E 169 54.171 48.957 0.239 1.00 13.81 N ATOM 1173 CA GLY E 169 55.441 48.476 0.754 1.00 14.08 C ATOM 1174 C GLY E 169 56.435 48.153 -0.350 1.00 14.80 C ATOM 1175 O GLY E 169 57.639 48.393 -0.198 1.00 14.16 O ATOM 1176 N LYS E 170 55.937 47.576 -1.460 1.00 15.45 N ATOM 1177 CA LYS E 170 56.808 47.076 -2.522 1.00 16.40 C ATOM 1178 C LYS E 170 57.551 48.163 -3.322 1.00 16.40 C ATOM 1179 O LYS E 170 58.564 47.879 -3.955 1.00 16.79 O ATOM 1180 CB LYS E 170 55.990 46.146 -3.453 1.00 17.12 C ATOM 1181 CG LYS E 170 56.837 45.230 -4.300 1.00 19.90 C ATOM 1182 CD LYS E 170 55.940 44.331 -5.177 1.00 23.10 C ATOM 1183 CE LYS E 170 56.769 43.248 -5.815 1.00 25.95 C ATOM 1184 NZ LYS E 170 55.904 42.361 -6.694 1.00 28.08 N ATOM 1185 N TYR E 171 57.086 49.405 -3.230 1.00 15.42 N ATOM 1186 CA TYR E 171 57.755 50.514 -3.936 1.00 15.85 C ATOM 1187 C TYR E 171 59.095 50.845 -3.278 1.00 16.09 C ATOM 1188 O TYR E 171 59.161 50.905 -2.022 1.00 15.83 O ATOM 1189 CB TYR E 171 56.855 51.739 -3.929 1.00 16.36 C ATOM 1190 CG TYR E 171 55.616 51.575 -4.766 1.00 17.11 C ATOM 1191 CD1 TYR E 171 55.697 51.136 -6.104 1.00 18.61 C ATOM 1192 CD2 TYR E 171 54.369 51.854 -4.239 1.00 16.79 C ATOM 1193 CE1 TYR E 171 54.536 50.992 -6.877 1.00 19.14 C ATOM 1194 CE2 TYR E 171 53.198 51.724 -5.002 1.00 18.19 C ATOM 1195 CZ TYR E 171 53.297 51.287 -6.315 1.00 18.15 C ATOM 1196 OH TYR E 171 52.119 51.155 -7.041 1.00 21.29 O ATOM 1197 N PRO E 172 60.170 51.059 -4.063 1.00 15.18 N ATOM 1198 CA PRO E 172 61.483 51.386 -3.484 1.00 15.93 C ATOM 1199 C PRO E 172 61.449 52.583 -2.513 1.00 15.26 C ATOM 1200 O PRO E 172 62.254 52.589 -1.563 1.00 15.47 O ATOM 1201 CB PRO E 172 62.345 51.724 -4.720 1.00 16.35 C ATOM 1202 CG PRO E 172 61.766 50.803 -5.800 1.00 18.64 C ATOM 1203 CD PRO E 172 60.251 50.891 -5.541 1.00 16.04 C ATOM 1204 N SER E 173 60.554 53.547 -2.732 1.00 15.12 N ATOM 1205 CA SER E 173 60.585 54.757 -1.901 1.00 15.22 C ATOM 1206 C SER E 173 60.033 54.531 -0.488 1.00 14.73 C ATOM 1207 O SER E 173 60.202 55.391 0.378 1.00 13.61 O ATOM 1208 CB SER E 173 59.851 55.925 -2.571 1.00 14.90 C ATOM 1209 OG SER E 173 58.467 55.629 -2.713 1.00 17.09 O ATOM 1210 N VAL E 174 59.359 53.396 -0.298 1.00 12.84 N ATOM 1211 CA VAL E 174 58.667 53.072 0.968 1.00 12.37 C ATOM 1212 C VAL E 174 59.475 52.032 1.729 1.00 12.07 C ATOM 1213 O VAL E 174 60.002 51.065 1.133 1.00 12.95 O ATOM 1214 CB VAL E 174 57.224 52.509 0.641 1.00 11.98 C ATOM 1215 CG1 VAL E 174 56.490 52.062 1.918 1.00 13.49 C ATOM 1216 CG2 VAL E 174 56.358 53.560 -0.074 1.00 12.80 C ATOM 1217 N ILE E 175 59.596 52.207 3.044 1.00 11.55 N ATOM 1218 CA ILE E 175 60.263 51.209 3.888 1.00 11.81 C ATOM 1219 C ILE E 175 59.270 50.084 4.200 1.00 11.68 C ATOM 1220 O ILE E 175 58.296 50.315 4.907 1.00 11.75 O ATOM 1221 CB ILE E 175 60.733 51.865 5.217 1.00 11.16 C ATOM 1222 CG1 ILE E 175 61.806 52.930 4.935 1.00 13.20 C ATOM 1223 CG2 ILE E 175 61.331 50.797 6.165 1.00 12.25 C ATOM 1224 CD1 ILE E 175 61.944 53.949 6.107 1.00 13.38 C ATOM 1225 N ALA E 176 59.506 48.883 3.651 1.00 11.79 N ATOM 1226 CA ALA E 176 58.586 47.752 3.902 1.00 11.11 C ATOM 1227 C ALA E 176 59.053 46.941 5.103 1.00 10.58 C ATOM 1228 O ALA E 176 60.216 46.515 5.200 1.00 10.98 O ATOM 1229 CB ALA E 176 58.500 46.823 2.639 1.00 11.93 C ATOM 1230 N VAL E 177 58.127 46.732 6.048 1.00 11.07 N ATOM 1231 CA VAL E 177 58.475 46.119 7.345 1.00 10.45 C ATOM 1232 C VAL E 177 57.800 44.754 7.538 1.00 10.91 C ATOM 1233 O VAL E 177 56.577 44.662 7.478 1.00 11.74 O ATOM 1234 CB VAL E 177 57.977 47.046 8.493 1.00 10.25 C ATOM 1235 CG1 VAL E 177 58.409 46.525 9.837 1.00 10.33 C ATOM 1236 CG2 VAL E 177 58.584 48.487 8.297 1.00 10.92 C ATOM 1237 N GLY E 178 58.631 43.757 7.807 1.00 11.08 N ATOM 1238 CA GLY E 178 58.147 42.411 8.128 1.00 12.48 C ATOM 1239 C GLY E 178 58.060 42.185 9.623 1.00 13.36 C ATOM 1240 O GLY E 178 58.472 43.039 10.431 1.00 11.39 O ATOM 1241 N ALA E 179 57.488 41.051 10.015 1.00 12.70 N ATOM 1242 CA ALA E 179 57.174 40.781 11.413 1.00 12.37 C ATOM 1243 C ALA E 179 57.962 39.654 11.992 1.00 13.41 C ATOM 1244 O ALA E 179 58.002 38.556 11.401 1.00 13.50 O ATOM 1245 CB ALA E 179 55.688 40.502 11.600 1.00 12.74 C ATOM 1246 N VAL E 180 58.543 39.908 13.162 1.00 12.11 N ATOM 1247 CA VAL E 180 59.197 38.869 13.972 1.00 12.31 C ATOM 1248 C VAL E 180 58.493 38.723 15.323 1.00 13.07 C ATOM 1249 O VAL E 180 57.697 39.570 15.719 1.00 13.08 O ATOM 1250 CB VAL E 180 60.716 39.073 14.227 1.00 12.19 C ATOM 1251 CG1 VAL E 180 61.515 38.921 12.922 1.00 12.75 C ATOM 1252 CG2 VAL E 180 61.010 40.473 14.953 1.00 11.90 C ATOM 1253 N ASP E 181 58.780 37.621 16.035 1.00 13.82 N ATOM 1254 CA ASP E 181 58.263 37.476 17.394 1.00 13.89 C ATOM 1255 C ASP E 181 59.341 37.845 18.423 1.00 14.56 C ATOM 1256 O ASP E 181 60.397 38.405 18.050 1.00 13.84 O ATOM 1257 CB ASP E 181 57.695 36.047 17.604 1.00 15.12 C ATOM 1258 CG ASP E 181 58.751 34.973 17.512 1.00 17.36 C ATOM 1259 OD1 ASP E 181 59.971 35.229 17.615 1.00 14.87 O ATOM 1260 OD2 ASP E 181 58.403 33.765 17.322 1.00 20.12 O ATOM 1261 N SER E 182 59.086 37.573 19.705 1.00 14.65 N ATOM 1262 CA SER E 182 60.008 37.974 20.776 1.00 15.87 C ATOM 1263 C SER E 182 61.349 37.227 20.770 1.00 16.75 C ATOM 1264 O SER E 182 62.287 37.629 21.466 1.00 16.97 O ATOM 1265 CB SER E 182 59.302 37.822 22.146 1.00 17.69 C ATOM 1266 OG SER E 182 59.095 36.434 22.434 1.00 19.43 O ATOM 1267 N SER E 183 61.451 36.132 19.997 1.00 16.27 N ATOM 1268 CA SER E 183 62.715 35.405 19.831 1.00 16.89 C ATOM 1269 C SER E 183 63.405 35.752 18.509 1.00 17.07 C ATOM 1270 O SER E 183 64.380 35.064 18.072 1.00 17.32 O ATOM 1271 CB SER E 183 62.466 33.883 19.870 1.00 17.89 C ATOM 1272 OG ASER E 183 61.722 33.493 21.017 0.50 16.51 O ATOM 1273 OG BSER E 183 61.777 33.491 18.716 0.50 20.72 O ATOM 1274 N ASN E 184 62.900 36.810 17.840 1.00 15.80 N ATOM 1275 CA ASN E 184 63.440 37.246 16.549 1.00 16.31 C ATOM 1276 C ASN E 184 63.186 36.275 15.392 1.00 16.91 C ATOM 1277 O ASN E 184 63.833 36.359 14.343 1.00 18.21 O ATOM 1278 CB ASN E 184 64.938 37.598 16.622 1.00 16.36 C ATOM 1279 CG ASN E 184 65.190 38.926 17.314 1.00 18.93 C ATOM 1280 OD1 ASN E 184 64.285 39.731 17.427 1.00 20.58 O ATOM 1281 ND2 ASN E 184 66.429 39.159 17.745 1.00 20.29 N ATOM 1282 N GLN E 185 62.213 35.386 15.566 1.00 17.04 N ATOM 1283 CA GLN E 185 61.841 34.487 14.480 1.00 18.47 C ATOM 1284 C GLN E 185 60.792 35.153 13.625 1.00 16.87 C ATOM 1285 O GLN E 185 59.837 35.718 14.147 1.00 16.01 O ATOM 1286 CB GLN E 185 61.264 33.174 15.043 1.00 19.56 C ATOM 1287 CG GLN E 185 62.289 32.207 15.517 1.00 28.02 C ATOM 1288 CD GLN E 185 63.057 31.591 14.351 1.00 35.31 C ATOM 1289 OE1 GLN E 185 62.450 31.052 13.403 1.00 39.78 O ATOM 1290 NE2 GLN E 185 64.387 31.696 14.398 1.00 37.56 N ATOM 1291 N ARG E 186 60.930 35.042 12.305 1.00 16.11 N ATOM 1292 CA ARG E 186 59.956 35.564 11.374 1.00 16.66 C ATOM 1293 C ARG E 186 58.603 34.915 11.648 1.00 17.05 C ATOM 1294 O ARG E 186 58.565 33.678 11.843 1.00 18.30 O ATOM 1295 CB ARG E 186 60.465 35.254 9.963 1.00 17.55 C ATOM 1296 CG ARG E 186 59.516 35.452 8.899 1.00 20.49 C ATOM 1297 CD ARG E 186 59.993 34.827 7.558 1.00 19.19 C ATOM 1298 NE ARG E 186 58.796 34.835 6.770 1.00 20.52 N ATOM 1299 CZ ARG E 186 57.975 33.806 6.630 1.00 17.32 C ATOM 1300 NH1 ARG E 186 58.301 32.605 7.111 1.00 20.93 N ATOM 1301 NH2 ARG E 186 56.861 33.973 5.957 1.00 17.49 N ATOM 1302 N ALA E 187 57.531 35.711 11.720 1.00 15.96 N ATOM 1303 CA ALA E 187 56.163 35.167 11.823 1.00 16.07 C ATOM 1304 C ALA E 187 55.811 34.424 10.524 1.00 17.07 C ATOM 1305 O ALA E 187 56.179 34.859 9.431 1.00 15.99 O ATOM 1306 CB ALA E 187 55.157 36.274 12.089 1.00 16.82 C ATOM 1307 N SER E 188 55.146 33.268 10.624 1.00 18.25 N ATOM 1308 CA SER E 188 54.881 32.484 9.386 1.00 19.83 C ATOM 1309 C SER E 188 54.081 33.246 8.323 1.00 18.66 C ATOM 1310 O SER E 188 54.219 32.966 7.125 1.00 19.63 O ATOM 1311 CB SER E 188 54.167 31.161 9.728 1.00 20.96 C ATOM 1312 OG SER E 188 52.938 31.453 10.372 1.00 26.30 O ATOM 1313 N PHE E 189 53.214 34.181 8.740 1.00 17.83 N ATOM 1314 CA PHE E 189 52.424 34.979 7.812 1.00 16.56 C ATOM 1315 C PHE E 189 53.203 36.140 7.147 1.00 15.71 C ATOM 1316 O PHE E 189 52.706 36.728 6.206 1.00 15.60 O ATOM 1317 CB PHE E 189 51.152 35.545 8.488 1.00 16.89 C ATOM 1318 CG PHE E 189 51.433 36.433 9.690 1.00 17.73 C ATOM 1319 CD1 PHE E 189 51.963 37.724 9.530 1.00 17.12 C ATOM 1320 CD2 PHE E 189 51.182 35.960 10.985 1.00 18.20 C ATOM 1321 CE1 PHE E 189 52.231 38.520 10.658 1.00 17.07 C ATOM 1322 CE2 PHE E 189 51.462 36.749 12.124 1.00 19.52 C ATOM 1323 CZ PHE E 189 51.978 38.026 11.953 1.00 17.47 C ATOM 1324 N SER E 190 54.370 36.490 7.675 1.00 15.70 N ATOM 1325 CA SER E 190 55.093 37.700 7.221 1.00 15.43 C ATOM 1326 C SER E 190 55.529 37.568 5.736 1.00 15.78 C ATOM 1327 O SER E 190 56.172 36.593 5.365 1.00 16.04 O ATOM 1328 CB SER E 190 56.292 37.941 8.157 1.00 15.71 C ATOM 1329 OG SER E 190 56.963 39.170 7.804 1.00 16.44 O ATOM 1330 N SER E 191 55.141 38.536 4.903 1.00 15.58 N ATOM 1331 CA SER E 191 55.531 38.556 3.474 1.00 16.27 C ATOM 1332 C SER E 191 57.031 38.549 3.287 1.00 16.74 C ATOM 1333 O SER E 191 57.793 38.953 4.177 1.00 17.40 O ATOM 1334 CB SER E 191 54.911 39.764 2.754 1.00 15.17 C ATOM 1335 OG SER E 191 53.537 39.552 2.500 1.00 15.01 O ATOM 1336 N VAL E 192 57.478 38.059 2.123 1.00 16.58 N ATOM 1337 CA VAL E 192 58.884 37.828 1.840 1.00 17.19 C ATOM 1338 C VAL E 192 59.224 38.343 0.445 1.00 16.55 C ATOM 1339 O VAL E 192 58.328 38.595 -0.361 1.00 16.66 O ATOM 1340 CB VAL E 192 59.269 36.321 1.923 1.00 18.49 C ATOM 1341 CG1 VAL E 192 59.172 35.798 3.375 1.00 19.56 C ATOM 1342 CG2 VAL E 192 58.384 35.508 0.943 1.00 19.81 C ATOM 1343 N GLY E 193 60.508 38.520 0.183 1.00 17.67 N ATOM 1344 CA GLY E 193 60.922 39.056 -1.122 1.00 18.39 C ATOM 1345 C GLY E 193 62.051 40.065 -0.990 1.00 19.02 C ATOM 1346 O GLY E 193 62.367 40.534 0.109 1.00 19.00 O ATOM 1347 N PRO E 194 62.717 40.393 -2.091 1.00 19.36 N ATOM 1348 CA PRO E 194 63.872 41.298 -2.013 1.00 19.54 C ATOM 1349 C PRO E 194 63.441 42.739 -1.613 1.00 18.71 C ATOM 1350 O PRO E 194 64.305 43.515 -1.228 1.00 18.80 O ATOM 1351 CB PRO E 194 64.492 41.224 -3.420 1.00 19.95 C ATOM 1352 CG PRO E 194 63.381 40.809 -4.286 1.00 20.95 C ATOM 1353 CD PRO E 194 62.466 39.904 -3.465 1.00 20.53 C ATOM 1354 N GLU E 195 62.149 43.042 -1.650 1.00 17.71 N ATOM 1355 CA GLU E 195 61.623 44.367 -1.251 1.00 17.39 C ATOM 1356 C GLU E 195 61.450 44.480 0.257 1.00 17.56 C ATOM 1357 O GLU E 195 61.203 45.587 0.769 1.00 17.82 O ATOM 1358 CB GLU E 195 60.297 44.687 -1.939 1.00 18.16 C ATOM 1359 CG GLU E 195 60.324 44.592 -3.466 1.00 19.64 C ATOM 1360 CD GLU E 195 60.044 43.176 -3.997 1.00 24.25 C ATOM 1361 OE1 GLU E 195 59.846 42.214 -3.198 1.00 20.97 O ATOM 1362 OE2 GLU E 195 60.061 43.016 -5.247 1.00 27.35 O ATOM 1363 N LEU E 196 61.586 43.366 0.968 1.00 16.62 N ATOM 1364 CA LEU E 196 61.523 43.414 2.446 1.00 16.11 C ATOM 1365 C LEU E 196 62.723 44.199 2.931 1.00 16.43 C ATOM 1366 O LEU E 196 63.868 43.876 2.589 1.00 16.99 O ATOM 1367 CB LEU E 196 61.539 41.988 3.002 1.00 17.22 C ATOM 1368 CG LEU E 196 61.360 41.676 4.466 1.00 20.43 C ATOM 1369 CD1 LEU E 196 60.085 42.388 4.988 1.00 20.21 C ATOM 1370 CD2 LEU E 196 61.235 40.128 4.551 1.00 17.18 C ATOM 1371 N ASP E 197 62.496 45.226 3.758 1.00 13.61 N ATOM 1372 CA ASP E 197 63.599 46.082 4.136 1.00 13.82 C ATOM 1373 C ASP E 197 64.120 45.781 5.538 1.00 12.67 C ATOM 1374 O ASP E 197 65.280 45.461 5.728 1.00 12.86 O ATOM 1375 CB ASP E 197 63.173 47.548 3.986 1.00 13.15 C ATOM 1376 CG ASP E 197 64.354 48.518 4.083 1.00 16.39 C ATOM 1377 OD1 ASP E 197 65.539 48.089 4.020 1.00 15.75 O ATOM 1378 OD2 ASP E 197 64.174 49.758 4.240 1.00 19.19 O ATOM 1379 N VAL E 198 63.227 45.903 6.545 1.00 11.56 N ATOM 1380 CA VAL E 198 63.600 45.638 7.948 1.00 10.82 C ATOM 1381 C VAL E 198 62.458 44.876 8.628 1.00 9.89 C ATOM 1382 O VAL E 198 61.342 44.785 8.065 1.00 11.48 O ATOM 1383 CB VAL E 198 63.880 46.968 8.768 1.00 10.35 C ATOM 1384 CG1 VAL E 198 65.092 47.724 8.133 1.00 11.41 C ATOM 1385 CG2 VAL E 198 62.616 47.851 8.820 1.00 12.01 C ATOM 1386 N MET E 199 62.757 44.315 9.794 1.00 9.74 N ATOM 1387 CA MET E 199 61.759 43.631 10.619 1.00 10.39 C ATOM 1388 C MET E 199 61.515 44.360 11.945 1.00 10.31 C ATOM 1389 O MET E 199 62.401 45.048 12.459 1.00 9.81 O ATOM 1390 CB MET E 199 62.255 42.235 11.028 1.00 11.29 C ATOM 1391 CG MET E 199 62.714 41.326 9.825 1.00 13.70 C ATOM 1392 SD MET E 199 61.469 41.012 8.576 1.00 13.21 S ATOM 1393 CE MET E 199 60.705 39.440 9.245 1.00 13.60 C ATOM 1394 N ALA E 200 60.340 44.128 12.525 1.00 10.14 N ATOM 1395 CA ALA E 200 60.056 44.624 13.880 1.00 9.11 C ATOM 1396 C ALA E 200 59.034 43.692 14.514 1.00 10.00 C ATOM 1397 O ALA E 200 58.491 42.834 13.797 1.00 9.67 O ATOM 1398 CB ALA E 200 59.517 46.066 13.844 1.00 9.93 C ATOM 1399 N PRO E 201 58.800 43.815 15.815 1.00 9.89 N ATOM 1400 CA PRO E 201 57.890 42.871 16.500 1.00 9.99 C ATOM 1401 C PRO E 201 56.471 42.979 15.945 1.00 10.18 C ATOM 1402 O PRO E 201 55.914 44.079 15.811 1.00 10.59 O ATOM 1403 CB PRO E 201 57.910 43.334 17.957 1.00 9.57 C ATOM 1404 CG PRO E 201 59.343 43.950 18.095 1.00 10.51 C ATOM 1405 CD PRO E 201 59.493 44.722 16.772 1.00 10.12 C ATOM 1406 N GLY E 202 55.870 41.817 15.608 1.00 9.38 N ATOM 1407 CA GLY E 202 54.532 41.832 15.046 1.00 10.39 C ATOM 1408 C GLY E 202 53.691 40.648 15.535 1.00 10.93 C ATOM 1409 O GLY E 202 52.677 40.339 14.909 1.00 12.22 O ATOM 1410 N VAL E 203 54.111 40.020 16.633 1.00 11.55 N ATOM 1411 CA VAL E 203 53.375 38.873 17.215 1.00 11.81 C ATOM 1412 C VAL E 203 52.935 39.232 18.637 1.00 11.75 C ATOM 1413 O VAL E 203 53.774 39.602 19.443 1.00 12.32 O ATOM 1414 CB VAL E 203 54.236 37.614 17.176 1.00 12.34 C ATOM 1415 CG1 VAL E 203 53.460 36.425 17.784 1.00 12.52 C ATOM 1416 CG2 VAL E 203 54.578 37.273 15.732 1.00 14.45 C ATOM 1417 N SER E 204 51.621 39.130 18.913 1.00 11.48 N ATOM 1418 CA SER E 204 51.077 39.326 20.278 1.00 11.33 C ATOM 1419 C SER E 204 51.502 40.706 20.820 1.00 10.25 C ATOM 1420 O SER E 204 52.083 40.813 21.903 1.00 11.44 O ATOM 1421 CB SER E 204 51.571 38.222 21.197 1.00 13.16 C ATOM 1422 OG ASER E 204 51.127 36.968 20.668 0.67 13.55 O ATOM 1423 OG BSER E 204 50.956 38.289 22.461 0.33 13.49 O ATOM 1424 N ILE E 205 51.224 41.730 20.014 1.00 10.29 N ATOM 1425 CA ILE E 205 51.593 43.093 20.373 1.00 9.77 C ATOM 1426 C ILE E 205 50.438 43.760 21.106 1.00 8.75 C ATOM 1427 O ILE E 205 49.388 44.028 20.515 1.00 9.49 O ATOM 1428 CB ILE E 205 51.920 43.882 19.077 1.00 9.15 C ATOM 1429 CG1 ILE E 205 53.037 43.186 18.248 1.00 10.35 C ATOM 1430 CG2 ILE E 205 52.351 45.354 19.405 1.00 9.31 C ATOM 1431 CD1 ILE E 205 54.414 42.989 19.004 1.00 8.83 C ATOM 1432 N GLN E 206 50.656 44.074 22.388 1.00 8.78 N ATOM 1433 CA GLN E 206 49.667 44.795 23.195 1.00 9.87 C ATOM 1434 C GLN E 206 49.637 46.270 22.786 1.00 9.73 C ATOM 1435 O GLN E 206 50.706 46.932 22.681 1.00 9.60 O ATOM 1436 CB GLN E 206 50.014 44.694 24.696 1.00 9.77 C ATOM 1437 CG GLN E 206 49.659 43.310 25.265 1.00 11.81 C ATOM 1438 CD GLN E 206 48.141 43.063 25.415 1.00 13.97 C ATOM 1439 OE1 GLN E 206 47.333 43.988 25.315 1.00 13.55 O ATOM 1440 NE2 GLN E 206 47.771 41.806 25.670 1.00 16.42 N ATOM 1441 N SER E 207 48.432 46.799 22.579 1.00 9.24 N ATOM 1442 CA SER E 207 48.274 48.230 22.324 1.00 9.13 C ATOM 1443 C SER E 207 46.837 48.684 22.658 1.00 10.03 C ATOM 1444 O SER E 207 46.008 47.906 23.163 1.00 10.45 O ATOM 1445 CB SER E 207 48.619 48.546 20.843 1.00 8.99 C ATOM 1446 OG SER E 207 48.716 49.953 20.675 1.00 9.32 O ATOM 1447 N THR E 208 46.574 49.971 22.443 1.00 9.49 N ATOM 1448 CA THR E 208 45.262 50.624 22.680 1.00 9.88 C ATOM 1449 C THR E 208 44.193 50.162 21.688 1.00 10.45 C ATOM 1450 O THR E 208 44.467 49.969 20.504 1.00 11.21 O ATOM 1451 CB THR E 208 45.420 52.151 22.527 1.00 9.51 C ATOM 1452 OG1 THR E 208 46.207 52.460 21.354 1.00 9.98 O ATOM 1453 CG2 THR E 208 46.223 52.733 23.711 1.00 9.06 C ATOM 1454 N LEU E 209 42.980 49.966 22.205 1.00 11.58 N ATOM 1455 CA LEU E 209 41.814 49.641 21.370 1.00 12.26 C ATOM 1456 C LEU E 209 40.685 50.591 21.730 1.00 12.14 C ATOM 1457 O LEU E 209 40.642 51.119 22.850 1.00 12.08 O ATOM 1458 CB LEU E 209 41.383 48.194 21.609 1.00 11.61 C ATOM 1459 CG LEU E 209 42.319 47.116 21.038 1.00 12.08 C ATOM 1460 CD1 LEU E 209 42.008 45.660 21.552 1.00 13.23 C ATOM 1461 CD2 LEU E 209 42.400 47.159 19.492 1.00 12.11 C ATOM 1462 N PRO E 210 39.750 50.836 20.807 1.00 12.52 N ATOM 1463 CA PRO E 210 38.688 51.806 21.093 1.00 12.77 C ATOM 1464 C PRO E 210 37.808 51.502 22.333 1.00 13.13 C ATOM 1465 O PRO E 210 37.629 50.325 22.729 1.00 14.26 O ATOM 1466 CB PRO E 210 37.855 51.799 19.799 1.00 13.01 C ATOM 1467 CG PRO E 210 38.847 51.357 18.740 1.00 13.01 C ATOM 1468 CD PRO E 210 39.635 50.274 19.437 1.00 12.39 C ATOM 1469 N GLY E 211 37.297 52.581 22.921 1.00 13.66 N ATOM 1470 CA GLY E 211 36.485 52.485 24.135 1.00 14.12 C ATOM 1471 C GLY E 211 37.325 52.129 25.358 1.00 14.10 C ATOM 1472 O GLY E 211 36.917 51.335 26.228 1.00 14.90 O ATOM 1473 N ASN E 212 38.519 52.738 25.416 1.00 13.31 N ATOM 1474 CA ASN E 212 39.396 52.600 26.574 1.00 13.44 C ATOM 1475 C ASN E 212 39.729 51.148 26.889 1.00 13.11 C ATOM 1476 O ASN E 212 39.632 50.669 28.031 1.00 14.38 O ATOM 1477 CB ASN E 212 38.842 53.355 27.792 1.00 14.70 C ATOM 1478 CG ASN E 212 39.815 53.394 28.942 1.00 15.16 C ATOM 1479 OD1 ASN E 212 41.010 53.392 28.734 1.00 16.81 O ATOM 1480 ND2 ASN E 212 39.298 53.444 30.168 1.00 19.02 N ATOM 1481 N LYS E 213 40.130 50.427 25.842 1.00 11.72 N ATOM 1482 CA LYS E 213 40.517 49.024 25.999 1.00 11.92 C ATOM 1483 C LYS E 213 41.962 48.828 25.535 1.00 11.32 C ATOM 1484 O LYS E 213 42.618 49.790 25.038 1.00 11.35 O ATOM 1485 CB LYS E 213 39.566 48.081 25.208 1.00 13.33 C ATOM 1486 CG LYS E 213 38.053 48.155 25.615 1.00 15.96 C ATOM 1487 CD LYS E 213 37.790 47.542 26.981 1.00 22.64 C ATOM 1488 CE LYS E 213 36.278 47.440 27.396 1.00 23.87 C ATOM 1489 NZ ALYS E 213 36.172 46.742 28.772 0.67 18.19 N ATOM 1490 NZ BLYS E 213 35.594 48.756 27.279 0.33 21.44 N ATOM 1491 N TYR E 214 42.482 47.616 25.753 1.00 10.29 N ATOM 1492 CA TYR E 214 43.830 47.228 25.291 1.00 11.26 C ATOM 1493 C TYR E 214 43.715 45.803 24.795 1.00 11.88 C ATOM 1494 O TYR E 214 42.842 45.038 25.248 1.00 11.85 O ATOM 1495 CB TYR E 214 44.864 47.295 26.440 1.00 10.51 C ATOM 1496 CG TYR E 214 44.945 48.655 27.083 1.00 10.83 C ATOM 1497 CD1 TYR E 214 45.807 49.637 26.544 1.00 10.75 C ATOM 1498 CD2 TYR E 214 44.119 49.011 28.171 1.00 10.41 C ATOM 1499 CE1 TYR E 214 45.866 50.913 27.097 1.00 9.61 C ATOM 1500 CE2 TYR E 214 44.176 50.289 28.721 1.00 12.16 C ATOM 1501 CZ TYR E 214 45.056 51.229 28.191 1.00 10.91 C ATOM 1502 OH TYR E 214 45.081 52.486 28.755 1.00 9.86 O ATOM 1503 N GLY E 215 44.583 45.411 23.880 1.00 10.74 N ATOM 1504 CA GLY E 215 44.647 44.022 23.481 1.00 11.25 C ATOM 1505 C GLY E 215 45.830 43.693 22.588 1.00 10.75 C ATOM 1506 O GLY E 215 46.453 44.581 21.994 1.00 10.59 O ATOM 1507 N ALA E 216 46.080 42.387 22.464 1.00 10.68 N ATOM 1508 CA ALA E 216 47.182 41.844 21.673 1.00 11.08 C ATOM 1509 C ALA E 216 46.747 41.510 20.254 1.00 11.66 C ATOM 1510 O ALA E 216 45.877 40.659 20.046 1.00 11.45 O ATOM 1511 CB ALA E 216 47.761 40.583 22.344 1.00 11.78 C ATOM 1512 N TYR E 217 47.343 42.211 19.281 1.00 11.23 N ATOM 1513 CA TYR E 217 47.133 41.911 17.853 1.00 11.22 C ATOM 1514 C TYR E 217 48.410 41.354 17.195 1.00 11.92 C ATOM 1515 O TYR E 217 49.547 41.455 17.725 1.00 10.83 O ATOM 1516 CB TYR E 217 46.687 43.189 17.093 1.00 11.74 C ATOM 1517 CG TYR E 217 45.225 43.613 17.185 1.00 10.81 C ATOM 1518 CD1 TYR E 217 44.375 43.080 18.153 1.00 12.86 C ATOM 1519 CD2 TYR E 217 44.681 44.553 16.279 1.00 12.08 C ATOM 1520 CE1 TYR E 217 43.019 43.447 18.205 1.00 12.63 C ATOM 1521 CE2 TYR E 217 43.306 44.939 16.332 1.00 12.21 C ATOM 1522 CZ TYR E 217 42.499 44.377 17.304 1.00 13.17 C ATOM 1523 OH TYR E 217 41.173 44.710 17.384 1.00 14.57 O ATOM 1524 N ASN E 218 48.218 40.731 16.022 1.00 11.65 N ATOM 1525 CA ASN E 218 49.301 40.120 15.251 1.00 11.74 C ATOM 1526 C ASN E 218 49.242 40.679 13.844 1.00 11.03 C ATOM 1527 O ASN E 218 48.141 40.957 13.329 1.00 11.89 O ATOM 1528 CB ASN E 218 49.098 38.588 15.138 1.00 12.62 C ATOM 1529 CG ASN E 218 49.000 37.942 16.493 1.00 14.76 C ATOM 1530 OD1 ASN E 218 49.990 37.778 17.181 1.00 17.36 O ATOM 1531 ND2 ASN E 218 47.786 37.629 16.910 1.00 20.72 N ATOM 1532 N GLY E 219 50.404 40.914 13.239 1.00 11.47 N ATOM 1533 CA GLY E 219 50.388 41.334 11.839 1.00 11.77 C ATOM 1534 C GLY E 219 51.600 42.132 11.453 1.00 11.69 C ATOM 1535 O GLY E 219 52.267 42.711 12.346 1.00 10.87 O ATOM 1536 N THR E 220 51.884 42.210 10.147 1.00 11.18 N ATOM 1537 CA THR E 220 52.891 43.229 9.736 1.00 10.71 C ATOM 1538 C THR E 220 52.355 44.631 10.019 1.00 10.61 C ATOM 1539 O THR E 220 53.160 45.562 10.113 1.00 10.72 O ATOM 1540 CB THR E 220 53.385 43.056 8.275 1.00 10.93 C ATOM 1541 OG1 THR E 220 52.275 43.028 7.346 1.00 11.58 O ATOM 1542 CG2 THR E 220 54.194 41.724 8.147 1.00 12.97 C ATOM 1543 N SER E 221 51.031 44.780 10.131 1.00 9.78 N ATOM 1544 CA SER E 221 50.432 46.044 10.628 1.00 9.30 C ATOM 1545 C SER E 221 50.996 46.480 11.982 1.00 9.94 C ATOM 1546 O SER E 221 51.048 47.680 12.264 1.00 10.53 O ATOM 1547 CB SER E 221 48.937 45.896 10.855 1.00 9.43 C ATOM 1548 OG SER E 221 48.242 46.090 9.627 1.00 10.04 O ATOM 1549 N MET E 222 51.340 45.526 12.822 1.00 9.52 N ATOM 1550 CA MET E 222 51.848 45.818 14.192 1.00 9.89 C ATOM 1551 C MET E 222 53.331 46.102 14.147 1.00 9.51 C ATOM 1552 O MET E 222 53.860 46.839 15.008 1.00 9.26 O ATOM 1553 CB MET E 222 51.557 44.601 15.136 1.00 10.89 C ATOM 1554 CG MET E 222 50.087 44.533 15.650 1.00 10.13 C ATOM 1555 SD MET E 222 48.815 44.299 14.309 1.00 11.37 S ATOM 1556 CE MET E 222 48.105 45.910 14.263 1.00 11.17 C ATOM 1557 N ALA E 223 54.033 45.563 13.146 1.00 9.08 N ATOM 1558 CA ALA E 223 55.474 45.754 13.011 1.00 9.39 C ATOM 1559 C ALA E 223 55.777 47.163 12.472 1.00 9.44 C ATOM 1560 O ALA E 223 56.643 47.847 13.028 1.00 9.74 O ATOM 1561 CB ALA E 223 56.046 44.665 12.073 1.00 10.14 C ATOM 1562 N SER E 224 55.055 47.573 11.434 1.00 9.22 N ATOM 1563 CA SER E 224 55.254 48.908 10.776 1.00 8.46 C ATOM 1564 C SER E 224 55.327 50.087 11.802 1.00 9.72 C ATOM 1565 O SER E 224 56.281 50.876 11.722 1.00 9.20 O ATOM 1566 CB SER E 224 54.149 49.117 9.744 1.00 9.28 C ATOM 1567 OG SER E 224 54.370 50.312 8.968 1.00 10.10 O ATOM 1568 N PRO E 225 54.383 50.244 12.726 1.00 8.80 N ATOM 1569 CA PRO E 225 54.424 51.390 13.654 1.00 8.59 C ATOM 1570 C PRO E 225 55.586 51.334 14.623 1.00 8.67 C ATOM 1571 O PRO E 225 55.949 52.398 15.134 1.00 8.72 O ATOM 1572 CB PRO E 225 53.058 51.350 14.366 1.00 8.42 C ATOM 1573 CG PRO E 225 52.690 49.812 14.271 1.00 8.89 C ATOM 1574 CD PRO E 225 53.111 49.477 12.870 1.00 8.74 C ATOM 1575 N HIS E 226 56.210 50.183 14.863 1.00 7.62 N ATOM 1576 CA HIS E 226 57.474 50.213 15.648 1.00 8.28 C ATOM 1577 C HIS E 226 58.517 51.020 14.867 1.00 7.93 C ATOM 1578 O HIS E 226 59.305 51.749 15.487 1.00 8.13 O ATOM 1579 CB HIS E 226 58.014 48.793 15.899 1.00 7.58 C ATOM 1580 CG HIS E 226 57.276 48.013 16.965 1.00 8.65 C ATOM 1581 ND1 HIS E 226 56.150 47.247 16.682 1.00 9.81 N ATOM 1582 CD2 HIS E 226 57.511 47.874 18.295 1.00 9.80 C ATOM 1583 CE1 HIS E 226 55.739 46.663 17.800 1.00 8.59 C ATOM 1584 NE2 HIS E 226 56.525 47.030 18.795 1.00 10.15 N ATOM 1585 N VAL E 227 58.554 50.819 13.539 1.00 8.44 N ATOM 1586 CA VAL E 227 59.550 51.513 12.701 1.00 8.56 C ATOM 1587 C VAL E 227 59.154 52.987 12.536 1.00 8.34 C ATOM 1588 O VAL E 227 60.032 53.873 12.565 1.00 8.80 O ATOM 1589 CB VAL E 227 59.719 50.783 11.365 1.00 9.04 C ATOM 1590 CG1 VAL E 227 60.785 51.457 10.491 1.00 9.34 C ATOM 1591 CG2 VAL E 227 60.140 49.311 11.635 1.00 9.23 C ATOM 1592 N ALA E 228 57.858 53.262 12.376 1.00 8.69 N ATOM 1593 CA ALA E 228 57.425 54.677 12.238 1.00 8.22 C ATOM 1594 C ALA E 228 57.717 55.403 13.562 1.00 9.48 C ATOM 1595 O ALA E 228 58.236 56.540 13.564 1.00 8.48 O ATOM 1596 CB ALA E 228 55.943 54.742 11.893 1.00 9.44 C ATOM 1597 N GLY E 229 57.417 54.757 14.697 1.00 8.09 N ATOM 1598 CA GLY E 229 57.787 55.372 15.981 1.00 8.06 C ATOM 1599 C GLY E 229 59.305 55.524 16.130 1.00 8.38 C ATOM 1600 O GLY E 229 59.770 56.548 16.678 1.00 8.84 O ATOM 1601 N ALA E 230 60.092 54.553 15.662 1.00 8.31 N ATOM 1602 CA ALA E 230 61.559 54.668 15.764 1.00 8.36 C ATOM 1603 C ALA E 230 62.037 55.881 14.953 1.00 7.78 C ATOM 1604 O ALA E 230 62.948 56.593 15.402 1.00 8.22 O ATOM 1605 CB ALA E 230 62.245 53.361 15.275 1.00 9.68 C ATOM 1606 N ALA E 231 61.433 56.081 13.788 1.00 8.33 N ATOM 1607 CA ALA E 231 61.815 57.254 12.947 1.00 7.40 C ATOM 1608 C ALA E 231 61.522 58.548 13.727 1.00 8.54 C ATOM 1609 O ALA E 231 62.308 59.515 13.643 1.00 8.86 O ATOM 1610 CB ALA E 231 60.986 57.244 11.641 1.00 8.33 C ATOM 1611 N ALA E 232 60.388 58.603 14.429 1.00 8.39 N ATOM 1612 CA ALA E 232 60.089 59.791 15.246 1.00 8.15 C ATOM 1613 C ALA E 232 61.088 59.994 16.389 1.00 8.46 C ATOM 1614 O ALA E 232 61.474 61.136 16.674 1.00 8.59 O ATOM 1615 CB ALA E 232 58.622 59.714 15.759 1.00 8.92 C ATOM 1616 N LEU E 233 61.533 58.912 17.042 1.00 7.81 N ATOM 1617 CA LEU E 233 62.557 59.040 18.094 1.00 7.41 C ATOM 1618 C LEU E 233 63.839 59.611 17.506 1.00 8.40 C ATOM 1619 O LEU E 233 64.429 60.510 18.115 1.00 9.44 O ATOM 1620 CB LEU E 233 62.897 57.668 18.730 1.00 7.98 C ATOM 1621 CG LEU E 233 61.751 57.108 19.598 1.00 7.75 C ATOM 1622 CD1 LEU E 233 62.195 55.697 20.101 1.00 6.77 C ATOM 1623 CD2 LEU E 233 61.461 58.016 20.789 1.00 9.42 C ATOM 1624 N ILE E 234 64.268 59.072 16.361 1.00 8.41 N ATOM 1625 CA ILE E 234 65.524 59.517 15.701 1.00 7.86 C ATOM 1626 C ILE E 234 65.419 61.000 15.350 1.00 8.95 C ATOM 1627 O ILE E 234 66.373 61.737 15.632 1.00 8.87 O ATOM 1628 CB ILE E 234 65.789 58.653 14.451 1.00 7.39 C ATOM 1629 CG1 ILE E 234 66.136 57.227 14.888 1.00 8.58 C ATOM 1630 CG2 ILE E 234 67.002 59.285 13.658 1.00 8.68 C ATOM 1631 CD1 ILE E 234 66.006 56.161 13.745 1.00 7.69 C ATOM 1632 N LEU E 235 64.297 61.422 14.768 1.00 8.65 N ATOM 1633 CA LEU E 235 64.130 62.844 14.409 1.00 9.20 C ATOM 1634 C LEU E 235 64.077 63.722 15.658 1.00 10.28 C ATOM 1635 O LEU E 235 64.519 64.896 15.615 1.00 11.35 O ATOM 1636 CB LEU E 235 62.856 63.026 13.572 1.00 9.75 C ATOM 1637 CG LEU E 235 63.039 62.564 12.137 1.00 9.12 C ATOM 1638 CD1 LEU E 235 61.649 62.507 11.448 1.00 11.00 C ATOM 1639 CD2 LEU E 235 63.977 63.522 11.357 1.00 9.90 C ATOM 1640 N SER E 236 63.526 63.229 16.767 1.00 8.78 N ATOM 1641 CA SER E 236 63.541 64.075 17.986 1.00 9.67 C ATOM 1642 C SER E 236 64.952 64.300 18.520 1.00 10.00 C ATOM 1643 O SER E 236 65.212 65.377 19.124 1.00 11.91 O ATOM 1644 CB SER E 236 62.535 63.562 19.046 1.00 10.41 C ATOM 1645 OG SER E 236 62.956 62.361 19.700 1.00 10.03 O ATOM 1646 N LYS E 237 65.861 63.336 18.310 1.00 9.73 N ATOM 1647 CA LYS E 237 67.267 63.478 18.741 1.00 10.06 C ATOM 1648 C LYS E 237 68.094 64.231 17.674 1.00 11.35 C ATOM 1649 O LYS E 237 69.055 64.939 18.015 1.00 11.85 O ATOM 1650 CB LYS E 237 67.919 62.111 18.967 1.00 9.84 C ATOM 1651 CG LYS E 237 69.328 62.244 19.580 1.00 10.17 C ATOM 1652 CD LYS E 237 69.910 60.884 19.952 1.00 11.62 C ATOM 1653 CE LYS E 237 71.343 61.024 20.456 1.00 13.44 C ATOM 1654 NZ LYS E 237 71.996 59.695 20.775 1.00 14.27 N ATOM 1655 N HIS E 238 67.715 64.110 16.412 1.00 10.05 N ATOM 1656 CA HIS E 238 68.436 64.729 15.286 1.00 9.48 C ATOM 1657 C HIS E 238 67.442 65.442 14.378 1.00 10.63 C ATOM 1658 O HIS E 238 67.133 64.965 13.289 1.00 11.18 O ATOM 1659 CB HIS E 238 69.210 63.660 14.471 1.00 9.55 C ATOM 1660 CG HIS E 238 70.237 62.923 15.260 1.00 10.47 C ATOM 1661 ND1 HIS E 238 71.513 63.415 15.469 1.00 10.08 N ATOM 1662 CD2 HIS E 238 70.183 61.713 15.872 1.00 9.77 C ATOM 1663 CE1 HIS E 238 72.197 62.531 16.198 1.00 10.24 C ATOM 1664 NE2 HIS E 238 71.403 61.490 16.454 1.00 10.30 N ATOM 1665 N PRO E 239 66.899 66.591 14.819 1.00 11.93 N ATOM 1666 CA PRO E 239 65.780 67.228 14.101 1.00 13.31 C ATOM 1667 C PRO E 239 66.117 67.704 12.685 1.00 13.60 C ATOM 1668 O PRO E 239 65.202 67.894 11.878 1.00 16.49 O ATOM 1669 CB PRO E 239 65.397 68.444 14.990 1.00 14.19 C ATOM 1670 CG PRO E 239 66.070 68.257 16.264 1.00 16.82 C ATOM 1671 CD PRO E 239 67.205 67.280 16.095 1.00 11.87 C ATOM 1672 N ASN E 240 67.394 67.822 12.378 1.00 14.02 N ATOM 1673 CA ASN E 240 67.728 68.246 11.019 1.00 15.18 C ATOM 1674 C AASN E 240 68.006 67.133 10.073 0.50 14.43 C ATOM 1675 C BASN E 240 68.342 67.125 10.163 0.50 14.91 C ATOM 1676 O AASN E 240 68.249 67.416 8.884 0.50 13.69 O ATOM 1677 O BASN E 240 68.982 67.348 9.123 0.50 14.63 O ATOM 1678 CB AASN E 240 69.047 69.050 11.136 0.50 14.87 C ATOM 1679 CB BASN E 240 68.407 69.609 10.945 0.50 15.40 C ATOM 1680 CG AASN E 240 68.772 70.508 11.302 0.50 13.81 C ATOM 1681 CG BASN E 240 69.690 69.563 11.606 0.50 13.81 C ATOM 1682 OD1AASN E 240 67.658 70.916 11.054 0.50 14.70 O ATOM 1683 OD1BASN E 240 70.039 68.517 12.120 0.50 15.68 O ATOM 1684 ND2AASN E 240 69.751 71.300 11.772 0.50 9.09 N ATOM 1685 ND2BASN E 240 70.423 70.665 11.625 0.50 14.69 N ATOM 1686 N TRP E 241 68.086 65.888 10.588 1.00 13.52 N ATOM 1687 CA TRP E 241 68.321 64.731 9.692 1.00 12.62 C ATOM 1688 C TRP E 241 67.200 64.638 8.667 1.00 12.29 C ATOM 1689 O TRP E 241 66.034 64.859 8.987 1.00 12.62 O ATOM 1690 CB TRP E 241 68.396 63.420 10.478 1.00 11.97 C ATOM 1691 CG TRP E 241 69.748 63.170 11.081 1.00 12.35 C ATOM 1692 CD1 TRP E 241 70.805 64.076 11.185 1.00 13.88 C ATOM 1693 CD2 TRP E 241 70.188 61.981 11.719 1.00 13.21 C ATOM 1694 NE1 TRP E 241 71.877 63.475 11.800 1.00 13.95 N ATOM 1695 CE2 TRP E 241 71.537 62.184 12.139 1.00 13.80 C ATOM 1696 CE3 TRP E 241 69.593 60.719 11.955 1.00 13.18 C ATOM 1697 CZ2 TRP E 241 72.262 61.210 12.829 1.00 12.59 C ATOM 1698 CZ3 TRP E 241 70.321 59.751 12.627 1.00 11.21 C ATOM 1699 CH2 TRP E 241 71.650 59.998 13.067 1.00 12.94 C ATOM 1700 N THR E 242 67.570 64.331 7.424 1.00 11.27 N ATOM 1701 CA THR E 242 66.599 64.158 6.351 1.00 11.92 C ATOM 1702 C THR E 242 65.952 62.795 6.483 1.00 10.65 C ATOM 1703 O THR E 242 66.455 61.910 7.197 1.00 10.50 O ATOM 1704 CB THR E 242 67.297 64.161 4.994 1.00 11.56 C ATOM 1705 OG1 THR E 242 68.300 63.132 4.967 1.00 12.59 O ATOM 1706 CG2 THR E 242 68.109 65.472 4.826 1.00 14.77 C ATOM 1707 N ASN E 243 64.856 62.651 5.759 1.00 9.85 N ATOM 1708 CA ASN E 243 64.264 61.285 5.618 1.00 10.03 C ATOM 1709 C ASN E 243 65.285 60.275 5.072 1.00 10.78 C ATOM 1710 O ASN E 243 65.340 59.131 5.571 1.00 11.67 O ATOM 1711 CB ASN E 243 62.948 61.270 4.845 1.00 9.68 C ATOM 1712 CG ASN E 243 63.047 61.857 3.406 1.00 11.49 C ATOM 1713 OD1 ASN E 243 64.002 62.589 3.057 1.00 12.03 O ATOM 1714 ND2 ASN E 243 62.060 61.539 2.573 1.00 12.37 N ATOM 1715 N THR E 244 66.105 60.684 4.092 1.00 10.36 N ATOM 1716 CA THR E 244 67.177 59.813 3.581 1.00 11.50 C ATOM 1717 C THR E 244 68.057 59.300 4.709 1.00 12.25 C ATOM 1718 O THR E 244 68.344 58.086 4.795 1.00 12.20 O ATOM 1719 CB THR E 244 68.058 60.649 2.645 1.00 11.49 C ATOM 1720 OG1 THR E 244 67.220 61.363 1.718 1.00 13.02 O ATOM 1721 CG2 THR E 244 68.976 59.742 1.818 1.00 13.90 C ATOM 1722 N GLN E 245 68.457 60.205 5.610 1.00 11.84 N ATOM 1723 CA GLN E 245 69.321 59.860 6.713 1.00 12.09 C ATOM 1724 C GLN E 245 68.607 59.015 7.786 1.00 10.47 C ATOM 1725 O GLN E 245 69.212 58.107 8.375 1.00 11.30 O ATOM 1726 CB GLN E 245 69.872 61.152 7.315 1.00 13.29 C ATOM 1727 CG GLN E 245 70.652 60.987 8.578 1.00 17.23 C ATOM 1728 CD GLN E 245 71.914 60.113 8.485 1.00 21.80 C ATOM 1729 OE1 GLN E 245 72.419 59.652 9.527 1.00 21.86 O ATOM 1730 NE2 GLN E 245 72.422 59.896 7.274 1.00 17.95 N ATOM 1731 N VAL E 246 67.339 59.329 8.064 1.00 10.04 N ATOM 1732 CA VAL E 246 66.623 58.503 9.050 1.00 10.06 C ATOM 1733 C VAL E 246 66.470 57.082 8.506 1.00 10.02 C ATOM 1734 O VAL E 246 66.719 56.110 9.243 1.00 10.11 O ATOM 1735 CB VAL E 246 65.244 59.110 9.356 1.00 9.93 C ATOM 1736 CG1 VAL E 246 64.399 58.151 10.250 1.00 10.00 C ATOM 1737 CG2 VAL E 246 65.404 60.477 10.059 1.00 10.86 C ATOM 1738 N ARG E 247 66.109 56.954 7.233 1.00 10.94 N ATOM 1739 CA ARG E 247 65.974 55.620 6.634 1.00 10.19 C ATOM 1740 C ARG E 247 67.298 54.871 6.664 1.00 11.51 C ATOM 1741 O ARG E 247 67.352 53.693 7.071 1.00 10.98 O ATOM 1742 CB ARG E 247 65.436 55.746 5.196 1.00 11.47 C ATOM 1743 CG ARG E 247 65.416 54.397 4.446 1.00 10.71 C ATOM 1744 CD ARG E 247 64.590 54.477 3.167 1.00 12.22 C ATOM 1745 NE ARG E 247 64.557 53.151 2.549 1.00 14.36 N ATOM 1746 CZ ARG E 247 63.754 52.813 1.525 1.00 15.32 C ATOM 1747 NH1 ARG E 247 62.930 53.701 0.948 1.00 15.60 N ATOM 1748 NH2 ARG E 247 63.820 51.550 1.067 1.00 17.85 N ATOM 1749 N SER E 248 68.388 55.513 6.230 1.00 11.74 N ATOM 1750 CA SER E 248 69.649 54.777 6.285 1.00 12.25 C ATOM 1751 C SER E 248 70.072 54.453 7.693 1.00 11.20 C ATOM 1752 O SER E 248 70.665 53.421 7.904 1.00 12.03 O ATOM 1753 CB SER E 248 70.848 55.471 5.605 1.00 12.61 C ATOM 1754 OG ASER E 248 70.571 55.941 4.305 0.50 11.77 O ATOM 1755 OG BSER E 248 70.998 56.794 5.988 0.50 12.60 O ATOM 1756 N SER E 249 69.782 55.332 8.672 1.00 10.32 N ATOM 1757 CA SER E 249 70.207 55.032 10.032 1.00 10.50 C ATOM 1758 C SER E 249 69.532 53.744 10.525 1.00 10.90 C ATOM 1759 O SER E 249 70.168 52.951 11.229 1.00 11.41 O ATOM 1760 CB SER E 249 69.959 56.228 10.974 1.00 10.62 C ATOM 1761 OG ASER E 249 70.588 57.388 10.490 0.33 10.84 O ATOM 1762 OG BSER E 249 68.616 56.311 11.337 0.67 10.91 O ATOM 1763 N LEU E 250 68.280 53.563 10.142 1.00 10.55 N ATOM 1764 CA LEU E 250 67.545 52.347 10.561 1.00 10.50 C ATOM 1765 C LEU E 250 68.047 51.110 9.837 1.00 11.96 C ATOM 1766 O LEU E 250 68.234 50.037 10.458 1.00 12.09 O ATOM 1767 CB LEU E 250 66.050 52.538 10.288 1.00 10.94 C ATOM 1768 CG LEU E 250 65.336 53.443 11.334 1.00 11.64 C ATOM 1769 CD1 LEU E 250 64.010 53.979 10.762 1.00 11.41 C ATOM 1770 CD2 LEU E 250 65.199 52.692 12.705 1.00 9.33 C ATOM 1771 N GLU E 251 68.302 51.246 8.543 1.00 11.11 N ATOM 1772 CA GLU E 251 68.760 50.121 7.723 1.00 11.89 C ATOM 1773 C GLU E 251 70.179 49.703 8.104 1.00 11.54 C ATOM 1774 O GLU E 251 70.490 48.504 8.097 1.00 12.46 O ATOM 1775 CB GLU E 251 68.744 50.503 6.242 1.00 11.94 C ATOM 1776 CG GLU E 251 67.327 50.574 5.710 1.00 11.25 C ATOM 1777 CD GLU E 251 67.238 51.237 4.337 1.00 15.46 C ATOM 1778 OE1 GLU E 251 68.214 51.893 3.895 1.00 16.71 O ATOM 1779 OE2 GLU E 251 66.172 51.095 3.701 1.00 15.14 O ATOM 1780 N ASN E 252 71.033 50.664 8.443 1.00 10.70 N ATOM 1781 CA ASN E 252 72.458 50.426 8.644 1.00 10.33 C ATOM 1782 C ASN E 252 72.800 49.911 10.025 1.00 10.03 C ATOM 1783 O ASN E 252 73.974 49.586 10.298 1.00 11.10 O ATOM 1784 CB ASN E 252 73.203 51.749 8.385 1.00 10.39 C ATOM 1785 CG ASN E 252 73.200 52.158 6.914 1.00 11.69 C ATOM 1786 OD1 ASN E 252 73.759 53.246 6.566 1.00 14.84 O ATOM 1787 ND2 ASN E 252 72.568 51.376 6.064 1.00 9.03 N ATOM 1788 N THR E 253 71.787 49.846 10.913 1.00 9.99 N ATOM 1789 CA THR E 253 72.050 49.467 12.315 1.00 10.34 C ATOM 1790 C THR E 253 71.166 48.315 12.786 1.00 10.64 C ATOM 1791 O THR E 253 71.085 48.078 13.981 1.00 12.22 O ATOM 1792 CB THR E 253 71.865 50.655 13.326 1.00 10.46 C ATOM 1793 OG1 THR E 253 70.524 51.158 13.231 1.00 11.74 O ATOM 1794 CG2 THR E 253 72.797 51.853 12.950 1.00 11.52 C ATOM 1795 N THR E 254 70.471 47.652 11.887 1.00 10.32 N ATOM 1796 CA THR E 254 69.705 46.481 12.295 1.00 11.23 C ATOM 1797 C THR E 254 70.608 45.414 12.909 1.00 11.47 C ATOM 1798 O THR E 254 71.829 45.373 12.678 1.00 12.28 O ATOM 1799 CB THR E 254 69.077 45.798 11.086 1.00 11.30 C ATOM 1800 OG1 THR E 254 70.107 45.630 10.072 1.00 12.73 O ATOM 1801 CG2 THR E 254 68.007 46.653 10.442 1.00 10.30 C ATOM 1802 N THR E 255 69.993 44.543 13.713 1.00 10.88 N ATOM 1803 CA THR E 255 70.614 43.279 14.123 1.00 12.40 C ATOM 1804 C THR E 255 70.279 42.286 13.035 1.00 12.67 C ATOM 1805 O THR E 255 69.103 41.959 12.805 1.00 12.34 O ATOM 1806 CB THR E 255 69.989 42.857 15.445 1.00 11.77 C ATOM 1807 OG1 THR E 255 70.424 43.760 16.467 1.00 13.51 O ATOM 1808 CG2 THR E 255 70.530 41.491 15.889 1.00 13.58 C ATOM 1809 N LYS E 256 71.301 41.803 12.312 1.00 14.22 N ATOM 1810 CA LYS E 256 71.011 40.932 11.155 1.00 15.06 C ATOM 1811 C LYS E 256 70.459 39.565 11.670 1.00 15.57 C ATOM 1812 O LYS E 256 70.904 39.067 12.709 1.00 17.09 O ATOM 1813 CB LYS E 256 72.271 40.779 10.260 1.00 17.00 C ATOM 1814 CG LYS E 256 72.676 42.105 9.510 1.00 16.42 C ATOM 1815 CD LYS E 256 72.204 42.142 8.032 1.00 17.00 C ATOM 1816 CE LYS E 256 72.475 43.560 7.457 1.00 17.53 C ATOM 1817 NZ LYS E 256 72.825 43.624 5.977 1.00 14.58 N ATOM 1818 N LEU E 257 69.469 39.036 10.957 1.00 17.11 N ATOM 1819 CA LEU E 257 68.786 37.814 11.361 1.00 18.75 C ATOM 1820 C LEU E 257 69.099 36.802 10.246 1.00 21.37 C ATOM 1821 O LEU E 257 70.274 36.644 9.901 1.00 24.88 O ATOM 1822 CB LEU E 257 67.307 38.086 11.605 1.00 17.78 C ATOM 1823 CG LEU E 257 67.065 39.096 12.764 1.00 16.19 C ATOM 1824 CD1 LEU E 257 65.583 39.383 12.913 1.00 15.86 C ATOM 1825 CD2 LEU E 257 67.720 38.669 14.099 1.00 19.53 C ATOM 1826 N GLY E 258 68.122 36.168 9.636 1.00 23.51 N ATOM 1827 CA GLY E 258 68.473 35.261 8.543 1.00 24.80 C ATOM 1828 C GLY E 258 68.735 35.864 7.157 1.00 25.11 C ATOM 1829 O GLY E 258 69.077 37.051 6.969 1.00 25.60 O ATOM 1830 N ASP E 259 68.541 35.022 6.144 1.00 24.90 N ATOM 1831 CA ASP E 259 68.590 35.468 4.763 1.00 23.95 C ATOM 1832 C ASP E 259 67.667 36.669 4.513 1.00 21.85 C ATOM 1833 O ASP E 259 66.516 36.692 4.974 1.00 20.63 O ATOM 1834 CB ASP E 259 68.188 34.323 3.828 1.00 25.43 C ATOM 1835 CG ASP E 259 68.418 34.674 2.374 1.00 27.86 C ATOM 1836 OD1 ASP E 259 69.544 34.422 1.867 1.00 36.80 O ATOM 1837 OD2 ASP E 259 67.569 35.225 1.649 1.00 27.60 O ATOM 1838 N SER E 260 68.176 37.656 3.777 1.00 20.63 N ATOM 1839 CA SER E 260 67.401 38.866 3.477 1.00 20.21 C ATOM 1840 C SER E 260 66.072 38.665 2.745 1.00 19.66 C ATOM 1841 O SER E 260 65.185 39.502 2.807 1.00 19.03 O ATOM 1842 CB SER E 260 68.282 39.881 2.739 1.00 21.18 C ATOM 1843 OG SER E 260 68.638 39.383 1.458 1.00 23.08 O ATOM 1844 N PHE E 261 65.899 37.533 2.042 1.00 18.94 N ATOM 1845 CA PHE E 261 64.644 37.280 1.386 1.00 18.04 C ATOM 1846 C PHE E 261 63.514 37.152 2.436 1.00 15.80 C ATOM 1847 O PHE E 261 62.379 37.541 2.187 1.00 17.06 O ATOM 1848 CB PHE E 261 64.766 35.964 0.557 1.00 19.20 C ATOM 1849 CG PHE E 261 63.580 35.658 -0.282 1.00 19.98 C ATOM 1850 CD1 PHE E 261 63.465 36.183 -1.579 1.00 22.68 C ATOM 1851 CD2 PHE E 261 62.574 34.798 0.197 1.00 20.48 C ATOM 1852 CE1 PHE E 261 62.340 35.890 -2.373 1.00 22.46 C ATOM 1853 CE2 PHE E 261 61.432 34.515 -0.595 1.00 21.33 C ATOM 1854 CZ PHE E 261 61.325 35.055 -1.871 1.00 21.40 C ATOM 1855 N TYR E 262 63.865 36.600 3.590 1.00 16.74 N ATOM 1856 CA TYR E 262 62.903 36.318 4.679 1.00 17.52 C ATOM 1857 C TYR E 262 62.949 37.369 5.803 1.00 16.47 C ATOM 1858 O TYR E 262 61.947 37.547 6.483 1.00 16.24 O ATOM 1859 CB TYR E 262 63.157 34.947 5.309 1.00 17.97 C ATOM 1860 CG TYR E 262 63.000 33.815 4.311 1.00 22.50 C ATOM 1861 CD1 TYR E 262 61.726 33.334 3.970 1.00 26.23 C ATOM 1862 CD2 TYR E 262 64.120 33.261 3.688 1.00 26.82 C ATOM 1863 CE1 TYR E 262 61.569 32.308 3.025 1.00 28.86 C ATOM 1864 CE2 TYR E 262 63.977 32.231 2.733 1.00 28.24 C ATOM 1865 CZ TYR E 262 62.702 31.768 2.418 1.00 31.51 C ATOM 1866 OH TYR E 262 62.561 30.756 1.487 1.00 31.43 O ATOM 1867 N TYR E 263 64.095 38.022 5.971 1.00 15.77 N ATOM 1868 CA TYR E 263 64.300 38.925 7.127 1.00 15.39 C ATOM 1869 C TYR E 263 64.708 40.346 6.730 1.00 15.79 C ATOM 1870 O TYR E 263 64.978 41.155 7.620 1.00 15.00 O ATOM 1871 CB TYR E 263 65.375 38.352 8.057 1.00 15.11 C ATOM 1872 CG TYR E 263 64.885 37.169 8.855 1.00 16.78 C ATOM 1873 CD1 TYR E 263 64.255 37.352 10.092 1.00 16.70 C ATOM 1874 CD2 TYR E 263 65.032 35.863 8.373 1.00 17.62 C ATOM 1875 CE1 TYR E 263 63.790 36.255 10.852 1.00 18.13 C ATOM 1876 CE2 TYR E 263 64.565 34.756 9.118 1.00 20.42 C ATOM 1877 CZ TYR E 263 63.942 34.955 10.347 1.00 19.17 C ATOM 1878 OH TYR E 263 63.473 33.879 11.105 1.00 19.79 O ATOM 1879 N GLY E 264 64.821 40.648 5.438 1.00 15.74 N ATOM 1880 CA GLY E 264 65.466 41.908 5.024 1.00 14.81 C ATOM 1881 C GLY E 264 66.784 42.095 5.740 1.00 15.02 C ATOM 1882 O GLY E 264 67.575 41.136 5.918 1.00 15.30 O ATOM 1883 N LYS E 265 67.070 43.330 6.170 1.00 14.00 N ATOM 1884 CA LYS E 265 68.271 43.637 6.916 1.00 13.74 C ATOM 1885 C LYS E 265 68.292 43.200 8.393 1.00 12.35 C ATOM 1886 O LYS E 265 69.313 43.280 9.038 1.00 13.25 O ATOM 1887 CB LYS E 265 68.585 45.135 6.759 1.00 13.73 C ATOM 1888 CG LYS E 265 68.839 45.472 5.270 1.00 16.58 C ATOM 1889 CD LYS E 265 68.803 46.967 5.050 1.00 18.62 C ATOM 1890 CE LYS E 265 69.039 47.265 3.568 1.00 21.10 C ATOM 1891 NZ LYS E 265 67.887 46.816 2.693 1.00 21.83 N ATOM 1892 N GLY E 266 67.162 42.709 8.906 1.00 12.45 N ATOM 1893 CA GLY E 266 67.111 42.273 10.292 1.00 11.63 C ATOM 1894 C GLY E 266 66.228 43.191 11.147 1.00 10.74 C ATOM 1895 O GLY E 266 65.453 43.979 10.608 1.00 11.46 O ATOM 1896 N LEU E 267 66.361 43.004 12.451 1.00 11.14 N ATOM 1897 CA LEU E 267 65.540 43.706 13.453 1.00 10.39 C ATOM 1898 C LEU E 267 66.061 45.118 13.635 1.00 10.19 C ATOM 1899 O LEU E 267 67.254 45.319 13.885 1.00 10.89 O ATOM 1900 CB LEU E 267 65.665 42.975 14.797 1.00 11.13 C ATOM 1901 CG LEU E 267 64.964 43.678 15.976 1.00 9.10 C ATOM 1902 CD1 LEU E 267 63.459 43.599 15.785 1.00 11.46 C ATOM 1903 CD2 LEU E 267 65.404 42.931 17.226 1.00 12.47 C ATOM 1904 N ILE E 268 65.163 46.114 13.579 1.00 9.70 N ATOM 1905 CA ILE E 268 65.646 47.482 13.880 1.00 9.48 C ATOM 1906 C ILE E 268 66.119 47.635 15.323 1.00 9.75 C ATOM 1907 O ILE E 268 65.660 46.934 16.256 1.00 9.77 O ATOM 1908 CB ILE E 268 64.555 48.533 13.568 1.00 9.36 C ATOM 1909 CG1 ILE E 268 63.279 48.324 14.410 1.00 10.18 C ATOM 1910 CG2 ILE E 268 64.247 48.562 12.056 1.00 10.77 C ATOM 1911 CD1 ILE E 268 62.538 49.705 14.681 1.00 9.47 C ATOM 1912 N ASN E 269 67.054 48.566 15.509 1.00 9.41 N ATOM 1913 CA ASN E 269 67.653 48.879 16.792 1.00 9.51 C ATOM 1914 C ASN E 269 67.756 50.409 16.826 1.00 9.75 C ATOM 1915 O ASN E 269 68.672 50.995 16.226 1.00 9.58 O ATOM 1916 CB ASN E 269 69.042 48.211 16.892 1.00 9.93 C ATOM 1917 CG ASN E 269 69.838 48.677 18.115 1.00 10.24 C ATOM 1918 OD1 ASN E 269 69.450 49.646 18.828 1.00 11.25 O ATOM 1919 ND2 ASN E 269 70.952 47.977 18.401 1.00 11.39 N ATOM 1920 N VAL E 270 66.776 51.049 17.460 1.00 9.07 N ATOM 1921 CA VAL E 270 66.700 52.515 17.416 1.00 9.34 C ATOM 1922 C VAL E 270 67.810 53.176 18.254 1.00 9.94 C ATOM 1923 O VAL E 270 68.226 54.291 17.915 1.00 10.15 O ATOM 1924 CB VAL E 270 65.289 53.026 17.799 1.00 8.82 C ATOM 1925 CG1 VAL E 270 64.994 52.781 19.240 1.00 11.21 C ATOM 1926 CG2 VAL E 270 65.161 54.527 17.412 1.00 10.58 C ATOM 1927 N GLN E 271 68.334 52.484 19.274 1.00 9.57 N ATOM 1928 CA GLN E 271 69.479 53.013 20.027 1.00 9.48 C ATOM 1929 C GLN E 271 70.683 53.200 19.081 1.00 10.56 C ATOM 1930 O GLN E 271 71.285 54.285 19.052 1.00 10.89 O ATOM 1931 CB GLN E 271 69.829 52.077 21.189 1.00 11.16 C ATOM 1932 CG GLN E 271 71.093 52.532 21.953 1.00 12.75 C ATOM 1933 CD GLN E 271 71.421 51.577 23.096 1.00 14.57 C ATOM 1934 OE1 GLN E 271 71.245 50.356 22.950 1.00 18.77 O ATOM 1935 NE2 GLN E 271 71.883 52.123 24.234 1.00 16.61 N ATOM 1936 N ALA E 272 71.028 52.144 18.351 1.00 10.85 N ATOM 1937 CA ALA E 272 72.156 52.226 17.408 1.00 10.67 C ATOM 1938 C ALA E 272 71.853 53.220 16.278 1.00 10.80 C ATOM 1939 O ALA E 272 72.758 53.984 15.855 1.00 11.67 O ATOM 1940 CB ALA E 272 72.467 50.828 16.829 1.00 10.95 C ATOM 1941 N ALA E 273 70.604 53.260 15.800 1.00 9.48 N ATOM 1942 CA ALA E 273 70.256 54.140 14.665 1.00 8.89 C ATOM 1943 C ALA E 273 70.473 55.606 15.053 1.00 10.40 C ATOM 1944 O ALA E 273 70.803 56.450 14.193 1.00 10.84 O ATOM 1945 CB ALA E 273 68.794 53.949 14.255 1.00 9.13 C ATOM 1946 N ALA E 274 70.198 55.924 16.324 1.00 10.65 N ATOM 1947 CA ALA E 274 70.194 57.346 16.727 1.00 10.87 C ATOM 1948 C ALA E 274 71.580 57.831 17.143 1.00 11.67 C ATOM 1949 O ALA E 274 71.719 58.972 17.608 1.00 12.18 O ATOM 1950 CB ALA E 274 69.138 57.596 17.859 1.00 10.26 C ATOM 1951 N GLN E 275 72.608 56.975 17.011 1.00 11.64 N ATOM 1952 CA GLN E 275 74.008 57.382 17.254 1.00 13.07 C ATOM 1953 C GLN E 275 74.513 58.091 16.007 1.00 12.70 C ATOM 1954 O GLN E 275 73.885 57.997 14.960 1.00 13.87 O ATOM 1955 CB GLN E 275 74.897 56.152 17.487 1.00 13.16 C ATOM 1956 CG GLN E 275 74.589 55.407 18.787 1.00 17.20 C ATOM 1957 CD GLN E 275 74.994 56.184 20.000 1.00 26.53 C ATOM 1958 OE1 GLN E 275 74.248 57.041 20.487 1.00 31.79 O ATOM 1959 NE2 GLN E 275 76.194 55.896 20.500 1.00 33.63 N ATOM 1960 N AHIS E 276 75.650 58.780 16.063 0.50 13.59 N ATOM 1961 N BHIS E 276 75.673 58.771 16.177 0.50 13.45 N ATOM 1962 CA AHIS E 276 76.121 59.354 14.795 0.50 13.45 C ATOM 1963 CA BHIS E 276 76.405 59.481 15.102 0.50 13.94 C ATOM 1964 C AHIS E 276 76.697 58.283 13.893 0.50 14.74 C ATOM 1965 C BHIS E 276 76.910 58.515 14.021 0.50 14.87 C ATOM 1966 O AHIS E 276 76.395 58.221 12.693 0.50 16.08 O ATOM 1967 O BHIS E 276 76.798 58.786 12.824 0.50 15.81 O ATOM 1968 CB AHIS E 276 77.128 60.450 15.036 0.50 13.17 C ATOM 1969 CB BHIS E 276 77.649 60.217 15.669 0.50 13.20 C ATOM 1970 CG AHIS E 276 76.485 61.756 15.346 0.50 11.53 C ATOM 1971 CG BHIS E 276 77.353 61.309 16.657 0.50 13.35 C ATOM 1972 ND1AHIS E 276 76.538 62.326 16.597 0.50 11.00 N ATOM 1973 ND1BHIS E 276 76.434 62.306 16.419 0.50 13.22 N ATOM 1974 CD2AHIS E 276 75.761 62.598 14.571 0.50 11.02 C ATOM 1975 CD2BHIS E 276 77.887 61.573 17.874 0.50 13.75 C ATOM 1976 CE1AHIS E 276 75.882 63.474 16.577 0.50 11.68 C ATOM 1977 CE1BHIS E 276 76.404 63.135 17.450 0.50 14.32 C ATOM 1978 NE2AHIS E 276 75.394 63.658 15.363 0.50 9.98 N ATOM 1979 NE2BHIS E 276 77.268 62.707 18.352 0.50 14.12 N ATOM 1980 N HIS E 277 77.490 57.413 14.493 1.00 14.57 N ATOM 1981 CA HIS E 277 78.152 56.374 13.700 1.00 17.20 C ATOM 1982 C HIS E 277 77.357 55.081 13.724 1.00 15.47 C ATOM 1983 O HIS E 277 76.878 54.642 14.764 1.00 16.33 O ATOM 1984 CB HIS E 277 79.580 56.216 14.224 1.00 19.08 C ATOM 1985 CG HIS E 277 80.373 57.483 14.067 1.00 26.91 C ATOM 1986 ND1 HIS E 277 80.778 58.251 15.139 1.00 31.67 N ATOM 1987 CD2 HIS E 277 80.727 58.172 12.955 1.00 31.90 C ATOM 1988 CE1 HIS E 277 81.401 59.329 14.694 1.00 33.29 C ATOM 1989 NE2 HIS E 277 81.369 59.314 13.374 1.00 33.59 N ATOM 1990 N HIS E 278 77.151 54.532 12.543 1.00 14.66 N ATOM 1991 CA HIS E 278 76.238 53.394 12.401 1.00 12.79 C ATOM 1992 C HIS E 278 76.925 52.112 11.999 1.00 13.28 C ATOM 1993 O HIS E 278 77.727 52.101 11.079 1.00 14.28 O ATOM 1994 CB HIS E 278 75.209 53.708 11.335 1.00 13.17 C ATOM 1995 CG HIS E 278 74.388 54.916 11.675 1.00 13.08 C ATOM 1996 ND1 HIS E 278 74.104 55.905 10.763 1.00 14.79 N ATOM 1997 CD2 HIS E 278 73.826 55.302 12.851 1.00 15.30 C ATOM 1998 CE1 HIS E 278 73.373 56.846 11.356 1.00 16.92 C ATOM 1999 NE2 HIS E 278 73.194 56.503 12.622 1.00 14.44 N ATOM 2000 N HIS E 279 76.592 51.051 12.697 1.00 12.93 N ATOM 2001 CA HIS E 279 76.945 49.684 12.262 1.00 13.02 C ATOM 2002 C HIS E 279 75.927 48.700 12.807 1.00 13.05 C ATOM 2003 O HIS E 279 75.184 49.021 13.758 1.00 12.81 O ATOM 2004 CB HIS E 279 78.351 49.289 12.733 1.00 15.29 C ATOM 2005 CG HIS E 279 78.565 49.412 14.205 1.00 20.04 C ATOM 2006 ND1 HIS E 279 79.043 50.568 14.787 1.00 24.95 N ATOM 2007 CD2 HIS E 279 78.379 48.528 15.217 1.00 26.12 C ATOM 2008 CE1 HIS E 279 79.126 50.396 16.098 1.00 27.72 C ATOM 2009 NE2 HIS E 279 78.752 49.161 16.383 1.00 27.00 N ATOM 2010 N HIS E 280 75.936 47.488 12.254 1.00 11.98 N ATOM 2011 CA HIS E 280 75.033 46.409 12.705 1.00 12.83 C ATOM 2012 C HIS E 280 75.520 45.788 14.003 1.00 14.03 C ATOM 2013 O HIS E 280 76.736 45.699 14.253 1.00 14.28 O ATOM 2014 CB HIS E 280 74.979 45.329 11.623 1.00 12.17 C ATOM 2015 CG HIS E 280 74.381 45.825 10.342 1.00 13.86 C ATOM 2016 ND1 HIS E 280 73.035 46.094 10.215 1.00 12.31 N ATOM 2017 CD2 HIS E 280 74.937 46.104 9.127 1.00 11.57 C ATOM 2018 CE1 HIS E 280 72.784 46.540 8.995 1.00 11.19 C ATOM 2019 NE2 HIS E 280 73.919 46.532 8.305 1.00 11.92 N ATOM 2020 N HIS E 281 74.558 45.397 14.849 1.00 16.51 N ATOM 2021 CA HIS E 281 74.920 44.594 16.026 1.00 18.87 C ATOM 2022 C HIS E 281 74.447 43.179 15.856 1.00 19.25 C ATOM 2023 O HIS E 281 74.645 42.480 16.875 1.00 22.41 O ATOM 2024 CB HIS E 281 74.362 45.195 17.331 1.00 19.88 C ATOM 2025 CG HIS E 281 74.910 46.547 17.644 1.00 20.34 C ATOM 2026 ND1 HIS E 281 75.697 46.794 18.749 1.00 27.60 N ATOM 2027 CD2 HIS E 281 74.792 47.731 16.999 1.00 22.62 C ATOM 2028 CE1 HIS E 281 76.035 48.072 18.774 1.00 28.44 C ATOM 2029 NE2 HIS E 281 75.510 48.659 17.713 1.00 26.23 N ATOM 2030 OXT HIS E 281 73.915 42.737 14.819 1.00 20.31 O TER 2031 HIS E 281 ATOM 2032 C MET I 20 45.265 23.394 6.365 1.00 36.91 C ATOM 2033 O MET I 20 45.952 24.428 6.450 1.00 38.19 O ATOM 2034 N LYS I 21 43.997 23.386 5.954 1.00 36.24 N ATOM 2035 CA LYS I 21 43.573 24.109 4.736 1.00 34.45 C ATOM 2036 C LYS I 21 43.471 25.601 5.013 1.00 32.48 C ATOM 2037 O LYS I 21 42.580 26.019 5.765 1.00 33.17 O ATOM 2038 CB LYS I 21 42.217 23.584 4.252 1.00 34.92 C ATOM 2039 CG LYS I 21 41.654 24.307 3.017 1.00 35.61 C ATOM 2040 CD LYS I 21 42.116 23.661 1.736 1.00 35.54 C ATOM 2041 CE LYS I 21 41.040 23.727 0.677 1.00 34.57 C ATOM 2042 NZ LYS I 21 41.640 23.778 -0.673 1.00 36.91 N ATOM 2043 N THR I 22 44.375 26.398 4.429 1.00 30.12 N ATOM 2044 CA THR I 22 44.362 27.863 4.604 1.00 27.86 C ATOM 2045 C THR I 22 44.301 28.716 3.316 1.00 25.68 C ATOM 2046 O THR I 22 44.318 29.952 3.388 1.00 23.79 O ATOM 2047 CB THR I 22 45.562 28.364 5.442 1.00 28.76 C ATOM 2048 OG1 THR I 22 46.788 28.067 4.767 1.00 31.12 O ATOM 2049 CG2 THR I 22 45.659 27.644 6.776 1.00 30.21 C ATOM 2050 N GLU I 23 44.266 28.063 2.150 1.00 23.64 N ATOM 2051 CA GLU I 23 44.107 28.768 0.873 1.00 21.90 C ATOM 2052 C GLU I 23 43.168 27.955 -0.031 1.00 19.30 C ATOM 2053 O GLU I 23 43.156 26.713 0.027 1.00 18.86 O ATOM 2054 CB GLU I 23 45.464 28.937 0.163 1.00 23.76 C ATOM 2055 CG GLU I 23 46.387 29.944 0.855 1.00 30.32 C ATOM 2056 CD GLU I 23 47.776 30.035 0.236 1.00 38.11 C ATOM 2057 OE1 GLU I 23 48.020 29.458 -0.851 1.00 40.02 O ATOM 2058 OE2 GLU I 23 48.631 30.704 0.860 1.00 42.30 O ATOM 2059 N TRP I 24 42.413 28.661 -0.887 1.00 17.02 N ATOM 2060 CA TRP I 24 41.447 28.028 -1.802 1.00 16.86 C ATOM 2061 C TRP I 24 41.632 28.484 -3.274 1.00 17.16 C ATOM 2062 O TRP I 24 40.750 29.115 -3.866 1.00 16.11 O ATOM 2063 CB TRP I 24 40.007 28.339 -1.337 1.00 16.69 C ATOM 2064 CG TRP I 24 39.600 27.695 -0.004 1.00 15.87 C ATOM 2065 CD1 TRP I 24 38.884 26.536 0.171 1.00 16.52 C ATOM 2066 CD2 TRP I 24 39.896 28.173 1.317 1.00 14.84 C ATOM 2067 NE1 TRP I 24 38.702 26.272 1.514 1.00 16.52 N ATOM 2068 CE2 TRP I 24 39.313 27.258 2.243 1.00 15.89 C ATOM 2069 CE3 TRP I 24 40.549 29.319 1.822 1.00 13.92 C ATOM 2070 CZ2 TRP I 24 39.407 27.420 3.652 1.00 16.04 C ATOM 2071 CZ3 TRP I 24 40.663 29.478 3.227 1.00 14.19 C ATOM 2072 CH2 TRP I 24 40.074 28.532 4.122 1.00 15.36 C ATOM 2073 N PRO I 25 42.753 28.136 -3.906 1.00 17.78 N ATOM 2074 CA PRO I 25 42.980 28.540 -5.304 1.00 18.04 C ATOM 2075 C PRO I 25 41.903 28.002 -6.275 1.00 17.98 C ATOM 2076 O PRO I 25 41.621 28.667 -7.271 1.00 18.53 O ATOM 2077 CB PRO I 25 44.356 27.932 -5.633 1.00 18.66 C ATOM 2078 CG PRO I 25 44.505 26.839 -4.652 1.00 17.72 C ATOM 2079 CD PRO I 25 43.871 27.338 -3.365 1.00 18.47 C ATOM 2080 N GLU I 26 41.289 26.865 -5.951 1.00 17.89 N ATOM 2081 CA GLU I 26 40.252 26.257 -6.776 1.00 18.72 C ATOM 2082 C GLU I 26 38.985 27.147 -6.830 1.00 17.92 C ATOM 2083 O GLU I 26 38.107 26.921 -7.661 1.00 17.86 O ATOM 2084 CB GLU I 26 39.906 24.837 -6.267 1.00 19.90 C ATOM 2085 CG GLU I 26 39.151 24.826 -4.938 1.00 22.05 C ATOM 2086 CD GLU I 26 40.028 24.839 -3.671 1.00 25.80 C ATOM 2087 OE1 GLU I 26 41.247 25.155 -3.716 1.00 24.09 O ATOM 2088 OE2 GLU I 26 39.463 24.518 -2.609 1.00 29.95 O ATOM 2089 N LEU I 27 38.886 28.135 -5.924 1.00 15.41 N ATOM 2090 CA LEU I 27 37.690 29.003 -5.909 1.00 14.38 C ATOM 2091 C LEU I 27 37.777 30.239 -6.812 1.00 13.67 C ATOM 2092 O LEU I 27 36.777 30.928 -7.027 1.00 13.22 O ATOM 2093 CB LEU I 27 37.336 29.417 -4.472 1.00 13.37 C ATOM 2094 CG LEU I 27 36.802 28.273 -3.603 1.00 15.20 C ATOM 2095 CD1 LEU I 27 36.561 28.830 -2.178 1.00 15.45 C ATOM 2096 CD2 LEU I 27 35.478 27.641 -4.105 1.00 16.53 C ATOM 2097 N VAL I 28 38.952 30.528 -7.362 1.00 14.30 N ATOM 2098 CA VAL I 28 39.077 31.688 -8.228 1.00 14.28 C ATOM 2099 C VAL I 28 38.182 31.469 -9.456 1.00 14.25 C ATOM 2100 O VAL I 28 38.176 30.364 -10.034 1.00 15.92 O ATOM 2101 CB VAL I 28 40.535 31.934 -8.659 1.00 15.14 C ATOM 2102 CG1 VAL I 28 40.595 33.030 -9.706 1.00 15.22 C ATOM 2103 CG2 VAL I 28 41.417 32.294 -7.425 1.00 15.82 C ATOM 2104 N GLY I 29 37.385 32.480 -9.797 1.00 14.28 N ATOM 2105 CA GLY I 29 36.511 32.386 -10.967 1.00 14.74 C ATOM 2106 C GLY I 29 35.142 31.786 -10.657 1.00 15.36 C ATOM 2107 O GLY I 29 34.238 31.816 -11.523 1.00 16.04 O ATOM 2108 N LYS I 30 34.972 31.263 -9.453 1.00 14.20 N ATOM 2109 CA LYS I 30 33.630 30.831 -8.994 1.00 12.91 C ATOM 2110 C LYS I 30 32.823 31.996 -8.428 1.00 13.23 C ATOM 2111 O LYS I 30 33.358 33.070 -8.179 1.00 13.31 O ATOM 2112 CB LYS I 30 33.704 29.718 -7.939 1.00 13.79 C ATOM 2113 CG LYS I 30 34.490 28.470 -8.360 1.00 20.27 C ATOM 2114 CD LYS I 30 33.923 27.836 -9.587 1.00 27.37 C ATOM 2115 CE LYS I 30 34.664 26.512 -9.905 1.00 32.62 C ATOM 2116 NZ LYS I 30 34.205 25.397 -9.036 1.00 36.21 N ATOM 2117 N SER I 31 31.522 31.783 -8.235 1.00 12.28 N ATOM 2118 CA SER I 31 30.641 32.786 -7.627 1.00 11.47 C ATOM 2119 C SER I 31 31.035 32.982 -6.169 1.00 12.06 C ATOM 2120 O SER I 31 31.532 32.063 -5.506 1.00 11.83 O ATOM 2121 CB SER I 31 29.157 32.350 -7.692 1.00 11.37 C ATOM 2122 OG SER I 31 28.919 31.168 -6.893 1.00 11.28 O ATOM 2123 N VAL I 32 30.740 34.162 -5.658 1.00 10.29 N ATOM 2124 CA VAL I 32 30.970 34.431 -4.234 1.00 12.01 C ATOM 2125 C VAL I 32 30.112 33.498 -3.364 1.00 11.75 C ATOM 2126 O VAL I 32 30.557 33.076 -2.299 1.00 11.77 O ATOM 2127 CB VAL I 32 30.734 35.947 -3.909 1.00 11.76 C ATOM 2128 CG1 VAL I 32 29.261 36.290 -4.023 1.00 13.81 C ATOM 2129 CG2 VAL I 32 31.235 36.261 -2.481 1.00 13.00 C ATOM 2130 N GLU I 33 28.925 33.094 -3.854 1.00 11.26 N ATOM 2131 CA GLU I 33 28.059 32.201 -3.095 1.00 11.91 C ATOM 2132 C GLU I 33 28.687 30.833 -2.950 1.00 11.78 C ATOM 2133 O GLU I 33 28.691 30.271 -1.840 1.00 11.53 O ATOM 2134 CB GLU I 33 26.689 32.055 -3.794 1.00 11.03 C ATOM 2135 CG GLU I 33 25.849 33.354 -3.815 1.00 11.77 C ATOM 2136 CD GLU I 33 26.163 34.358 -4.922 1.00 11.71 C ATOM 2137 OE1 GLU I 33 27.043 34.130 -5.789 1.00 11.57 O ATOM 2138 OE2 GLU I 33 25.487 35.436 -4.909 1.00 15.19 O ATOM 2139 N GLU I 34 29.217 30.275 -4.043 1.00 11.57 N ATOM 2140 CA GLU I 34 29.821 28.937 -3.908 1.00 12.08 C ATOM 2141 C GLU I 34 31.063 29.028 -3.019 1.00 12.06 C ATOM 2142 O GLU I 34 31.337 28.112 -2.211 1.00 11.38 O ATOM 2143 CB GLU I 34 30.185 28.360 -5.291 1.00 13.01 C ATOM 2144 CG GLU I 34 30.845 26.988 -5.207 1.00 15.33 C ATOM 2145 CD GLU I 34 31.029 26.300 -6.555 1.00 20.49 C ATOM 2146 OE1 GLU I 34 30.496 26.781 -7.587 1.00 19.17 O ATOM 2147 OE2 GLU I 34 31.730 25.257 -6.560 1.00 24.22 O ATOM 2148 N ALA I 35 31.827 30.116 -3.168 1.00 11.61 N ATOM 2149 CA ALA I 35 33.046 30.260 -2.359 1.00 11.58 C ATOM 2150 C ALA I 35 32.723 30.275 -0.861 1.00 11.75 C ATOM 2151 O ALA I 35 33.384 29.575 -0.073 1.00 11.26 O ATOM 2152 CB ALA I 35 33.843 31.552 -2.768 1.00 11.93 C ATOM 2153 N LYS I 36 31.690 31.019 -0.459 1.00 11.58 N ATOM 2154 CA LYS I 36 31.267 31.021 0.949 1.00 11.04 C ATOM 2155 C LYS I 36 30.908 29.615 1.407 1.00 11.38 C ATOM 2156 O LYS I 36 31.295 29.210 2.514 1.00 11.69 O ATOM 2157 CB LYS I 36 30.088 31.942 1.200 1.00 12.73 C ATOM 2158 CG LYS I 36 30.456 33.463 1.041 1.00 14.99 C ATOM 2159 CD LYS I 36 29.138 34.267 1.248 1.00 18.96 C ATOM 2160 CE LYS I 36 29.364 35.761 1.345 1.00 26.60 C ATOM 2161 NZ LYS I 36 28.068 36.493 1.646 1.00 28.34 N ATOM 2162 N LYS I 37 30.136 28.890 0.579 1.00 11.03 N ATOM 2163 CA LYS I 37 29.660 27.566 0.966 1.00 10.80 C ATOM 2164 C LYS I 37 30.854 26.634 1.203 1.00 11.41 C ATOM 2165 O LYS I 37 30.926 25.919 2.215 1.00 12.25 O ATOM 2166 CB LYS I 37 28.721 26.994 -0.107 1.00 10.84 C ATOM 2167 CG LYS I 37 28.219 25.599 0.318 1.00 14.21 C ATOM 2168 CD LYS I 37 27.304 25.084 -0.775 1.00 20.94 C ATOM 2169 CE LYS I 37 26.970 23.626 -0.555 1.00 29.21 C ATOM 2170 NZ LYS I 37 25.686 23.264 -1.280 1.00 33.21 N ATOM 2171 N VAL I 38 31.804 26.647 0.270 1.00 11.31 N ATOM 2172 CA VAL I 38 32.973 25.771 0.338 1.00 12.01 C ATOM 2173 C VAL I 38 33.865 26.123 1.522 1.00 11.54 C ATOM 2174 O VAL I 38 34.275 25.246 2.308 1.00 12.44 O ATOM 2175 CB VAL I 38 33.788 25.825 -0.971 1.00 12.78 C ATOM 2176 CG1 VAL I 38 35.173 25.092 -0.801 1.00 15.92 C ATOM 2177 CG2 VAL I 38 32.969 25.166 -2.103 1.00 13.84 C ATOM 2178 N ILE I 39 34.149 27.403 1.679 1.00 12.06 N ATOM 2179 CA ILE I 39 34.981 27.788 2.819 1.00 11.70 C ATOM 2180 C ILE I 39 34.344 27.389 4.164 1.00 11.14 C ATOM 2181 O ILE I 39 35.039 26.900 5.080 1.00 13.05 O ATOM 2182 CB ILE I 39 35.313 29.316 2.741 1.00 12.37 C ATOM 2183 CG1 ILE I 39 36.319 29.542 1.602 1.00 13.35 C ATOM 2184 CG2 ILE I 39 35.917 29.822 4.106 1.00 13.80 C ATOM 2185 CD1 ILE I 39 36.256 30.969 1.055 1.00 13.59 C ATOM 2186 N LEU I 40 33.054 27.622 4.330 1.00 11.34 N ATOM 2187 CA LEU I 40 32.396 27.222 5.577 1.00 11.44 C ATOM 2188 C LEU I 40 32.337 25.701 5.812 1.00 12.57 C ATOM 2189 O LEU I 40 32.194 25.260 6.954 1.00 13.12 O ATOM 2190 CB LEU I 40 31.016 27.865 5.676 1.00 11.29 C ATOM 2191 CG LEU I 40 31.084 29.415 5.835 1.00 13.03 C ATOM 2192 CD1 LEU I 40 29.722 30.042 5.642 1.00 16.34 C ATOM 2193 CD2 LEU I 40 31.663 29.744 7.230 1.00 12.69 C ATOM 2194 N GLN I 41 32.446 24.890 4.754 1.00 12.17 N ATOM 2195 CA GLN I 41 32.550 23.431 4.974 1.00 12.42 C ATOM 2196 C GLN I 41 33.908 23.095 5.552 1.00 12.30 C ATOM 2197 O GLN I 41 34.043 22.198 6.432 1.00 12.86 O ATOM 2198 CB GLN I 41 32.347 22.686 3.668 1.00 12.27 C ATOM 2199 CG GLN I 41 30.929 22.708 3.223 1.00 13.60 C ATOM 2200 CD GLN I 41 30.682 21.955 1.910 1.00 17.77 C ATOM 2201 OE1 GLN I 41 29.523 21.660 1.584 1.00 17.42 O ATOM 2202 NE2 GLN I 41 31.751 21.683 1.140 1.00 17.29 N ATOM 2203 N ASP I 42 34.934 23.800 5.067 1.00 11.51 N ATOM 2204 CA ASP I 42 36.291 23.494 5.499 1.00 12.30 C ATOM 2205 C ASP I 42 36.603 24.161 6.831 1.00 12.81 C ATOM 2206 O ASP I 42 37.441 23.679 7.584 1.00 14.50 O ATOM 2207 CB ASP I 42 37.320 24.001 4.481 1.00 13.45 C ATOM 2208 CG ASP I 42 37.294 23.246 3.176 1.00 17.85 C ATOM 2209 OD1 ASP I 42 36.815 22.065 3.170 1.00 22.67 O ATOM 2210 OD2 ASP I 42 37.720 23.765 2.114 1.00 17.79 O ATOM 2211 N LYS I 43 35.950 25.280 7.111 1.00 11.42 N ATOM 2212 CA LYS I 43 36.305 26.140 8.248 1.00 12.91 C ATOM 2213 C LYS I 43 35.002 26.743 8.765 1.00 12.57 C ATOM 2214 O LYS I 43 34.685 27.886 8.462 1.00 12.07 O ATOM 2215 CB LYS I 43 37.306 27.237 7.764 1.00 12.18 C ATOM 2216 CG LYS I 43 37.855 28.177 8.863 1.00 13.36 C ATOM 2217 CD LYS I 43 38.863 29.167 8.218 1.00 16.27 C ATOM 2218 CE LYS I 43 39.296 30.295 9.211 1.00 18.35 C ATOM 2219 NZ LYS I 43 40.214 29.715 10.248 1.00 21.14 N ATOM 2220 N PRO I 44 34.182 25.972 9.483 1.00 12.14 N ATOM 2221 CA PRO I 44 32.827 26.420 9.822 1.00 13.47 C ATOM 2222 C PRO I 44 32.726 27.670 10.685 1.00 13.30 C ATOM 2223 O PRO I 44 31.684 28.348 10.619 1.00 14.71 O ATOM 2224 CB PRO I 44 32.228 25.226 10.606 1.00 14.41 C ATOM 2225 CG PRO I 44 33.030 24.073 10.189 1.00 14.36 C ATOM 2226 CD PRO I 44 34.416 24.563 9.891 1.00 13.18 C ATOM 2227 N ALA I 45 33.785 27.981 11.427 1.00 14.52 N ATOM 2228 CA ALA I 45 33.758 29.180 12.248 1.00 15.18 C ATOM 2229 C ALA I 45 34.385 30.387 11.533 1.00 15.98 C ATOM 2230 O ALA I 45 34.534 31.457 12.158 1.00 16.62 O ATOM 2231 CB ALA I 45 34.425 28.907 13.605 1.00 16.49 C ATOM 2232 N ALA I 46 34.691 30.267 10.232 1.00 14.49 N ATOM 2233 CA ALA I 46 35.271 31.395 9.462 1.00 14.40 C ATOM 2234 C ALA I 46 34.434 32.658 9.520 1.00 14.84 C ATOM 2235 O ALA I 46 33.199 32.628 9.416 1.00 14.18 O ATOM 2236 CB ALA I 46 35.522 30.997 8.019 1.00 13.51 C ATOM 2237 N GLN I 47 35.117 33.788 9.719 1.00 14.31 N ATOM 2238 CA GLN I 47 34.498 35.090 9.602 1.00 16.23 C ATOM 2239 C GLN I 47 34.785 35.604 8.210 1.00 15.94 C ATOM 2240 O GLN I 47 35.924 36.018 7.905 1.00 17.63 O ATOM 2241 CB GLN I 47 35.099 36.011 10.681 1.00 16.55 C ATOM 2242 CG AGLN I 47 34.984 35.382 12.064 0.50 18.00 C ATOM 2243 CG BGLN I 47 34.384 35.878 12.030 0.50 19.61 C ATOM 2244 CD AGLN I 47 33.535 35.090 12.418 0.50 22.39 C ATOM 2245 CD BGLN I 47 35.295 36.192 13.221 0.50 22.58 C ATOM 2246 OE1AGLN I 47 32.717 36.009 12.495 0.50 24.73 O ATOM 2247 OE1BGLN I 47 35.195 35.555 14.276 0.50 23.62 O ATOM 2248 NE2AGLN I 47 33.206 33.812 12.603 0.50 23.70 N ATOM 2249 NE2BGLN I 47 36.205 37.152 13.042 0.50 23.98 N ATOM 2250 N ILE I 48 33.769 35.533 7.341 1.00 14.57 N ATOM 2251 CA ILE I 48 33.971 35.851 5.932 1.00 15.54 C ATOM 2252 C ILE I 48 33.564 37.260 5.644 1.00 16.27 C ATOM 2253 O ILE I 48 32.432 37.663 5.957 1.00 17.61 O ATOM 2254 CB ILE I 48 33.200 34.843 5.007 1.00 14.91 C ATOM 2255 CG1 ILE I 48 33.829 33.455 5.177 1.00 14.82 C ATOM 2256 CG2 ILE I 48 33.279 35.323 3.537 1.00 16.29 C ATOM 2257 CD1 ILE I 48 33.003 32.326 4.480 1.00 17.39 C ATOM 2258 N ILE I 49 34.479 38.035 5.052 1.00 15.87 N ATOM 2259 CA ILE I 49 34.068 39.365 4.589 1.00 16.33 C ATOM 2260 C ILE I 49 34.310 39.527 3.102 1.00 14.90 C ATOM 2261 O ILE I 49 35.373 39.200 2.609 1.00 15.24 O ATOM 2262 CB ILE I 49 34.764 40.484 5.402 1.00 17.35 C ATOM 2263 CG1AILE I 49 34.061 41.813 5.075 0.67 19.03 C ATOM 2264 CG1BILE I 49 34.339 40.411 6.879 0.33 17.61 C ATOM 2265 CG2AILE I 49 36.210 40.489 5.130 0.67 15.00 C ATOM 2266 CG2BILE I 49 34.478 41.854 4.806 0.33 17.74 C ATOM 2267 CD1AILE I 49 34.376 42.984 6.026 0.67 23.44 C ATOM 2268 CD1BILE I 49 35.354 39.782 7.767 0.33 18.78 C ATOM 2269 N VAL I 50 33.304 40.014 2.403 1.00 15.48 N ATOM 2270 CA VAL I 50 33.394 40.200 0.959 1.00 15.37 C ATOM 2271 C VAL I 50 33.791 41.645 0.671 1.00 16.76 C ATOM 2272 O VAL I 50 33.155 42.579 1.163 1.00 17.54 O ATOM 2273 CB VAL I 50 32.071 39.846 0.278 1.00 15.74 C ATOM 2274 CG1 VAL I 50 32.158 40.072 -1.219 1.00 16.74 C ATOM 2275 CG2 VAL I 50 31.727 38.371 0.593 1.00 15.77 C ATOM 2276 N LEU I 51 34.853 41.807 -0.111 1.00 16.55 N ATOM 2277 CA LEU I 51 35.386 43.123 -0.458 1.00 17.21 C ATOM 2278 C LEU I 51 35.619 43.205 -1.961 1.00 17.38 C ATOM 2279 O LEU I 51 35.878 42.197 -2.628 1.00 15.71 O ATOM 2280 CB LEU I 51 36.715 43.383 0.290 1.00 16.67 C ATOM 2281 CG LEU I 51 36.663 43.320 1.843 1.00 19.49 C ATOM 2282 CD1 LEU I 51 38.075 43.277 2.455 1.00 20.35 C ATOM 2283 CD2 LEU I 51 35.825 44.470 2.432 1.00 23.16 C ATOM 2284 N PRO I 52 35.589 44.412 -2.518 1.00 18.30 N ATOM 2285 CA PRO I 52 35.894 44.589 -3.940 1.00 18.45 C ATOM 2286 C PRO I 52 37.370 44.318 -4.226 1.00 18.60 C ATOM 2287 O PRO I 52 38.261 44.706 -3.437 1.00 17.96 O ATOM 2288 CB PRO I 52 35.582 46.080 -4.192 1.00 18.97 C ATOM 2289 CG PRO I 52 34.834 46.564 -2.957 1.00 20.07 C ATOM 2290 CD PRO I 52 35.323 45.699 -1.826 1.00 18.96 C ATOM 2291 N VAL I 53 37.640 43.644 -5.325 1.00 18.88 N ATOM 2292 CA VAL I 53 39.015 43.436 -5.726 1.00 20.33 C ATOM 2293 C VAL I 53 39.640 44.823 -6.003 1.00 20.30 C ATOM 2294 O VAL I 53 38.942 45.750 -6.415 1.00 21.40 O ATOM 2295 CB VAL I 53 39.102 42.483 -6.964 1.00 20.77 C ATOM 2296 CG1 VAL I 53 38.576 43.136 -8.205 1.00 21.96 C ATOM 2297 CG2 VAL I 53 40.540 41.938 -7.148 1.00 21.33 C ATOM 2298 N GLY I 54 40.929 44.969 -5.732 1.00 21.66 N ATOM 2299 CA GLY I 54 41.583 46.244 -6.020 1.00 21.42 C ATOM 2300 C GLY I 54 41.345 47.301 -4.935 1.00 22.22 C ATOM 2301 O GLY I 54 41.464 48.510 -5.192 1.00 24.39 O ATOM 2302 N THR I 55 40.951 46.866 -3.742 1.00 19.99 N ATOM 2303 CA THR I 55 40.977 47.781 -2.590 1.00 18.71 C ATOM 2304 C THR I 55 42.231 47.514 -1.800 1.00 18.33 C ATOM 2305 O THR I 55 42.913 46.518 -2.006 1.00 17.45 O ATOM 2306 CB THR I 55 39.781 47.630 -1.673 1.00 19.43 C ATOM 2307 OG1 THR I 55 39.538 46.237 -1.427 1.00 21.60 O ATOM 2308 CG2 THR I 55 38.534 48.129 -2.352 1.00 19.79 C ATOM 2309 N ILE I 56 42.539 48.459 -0.919 1.00 17.05 N ATOM 2310 CA ILE I 56 43.661 48.326 -0.011 1.00 17.76 C ATOM 2311 C ILE I 56 43.032 48.000 1.352 1.00 15.93 C ATOM 2312 O ILE I 56 41.968 48.508 1.668 1.00 15.77 O ATOM 2313 CB ILE I 56 44.461 49.655 -0.010 1.00 18.05 C ATOM 2314 CG1 ILE I 56 45.442 49.653 -1.192 1.00 22.71 C ATOM 2315 CG2 ILE I 56 45.210 49.833 1.341 1.00 20.12 C ATOM 2316 CD1 ILE I 56 45.942 51.029 -1.608 1.00 27.26 C ATOM 2317 N VAL I 57 43.687 47.138 2.125 1.00 15.01 N ATOM 2318 CA VAL I 57 43.085 46.675 3.386 1.00 14.75 C ATOM 2319 C VAL I 57 44.101 46.685 4.533 1.00 13.54 C ATOM 2320 O VAL I 57 45.319 46.700 4.302 1.00 13.86 O ATOM 2321 CB VAL I 57 42.527 45.220 3.258 1.00 14.93 C ATOM 2322 CG1 VAL I 57 41.355 45.213 2.217 1.00 16.35 C ATOM 2323 CG2 VAL I 57 43.666 44.198 2.887 1.00 14.70 C ATOM 2324 N THR I 58 43.583 46.592 5.750 1.00 13.64 N ATOM 2325 CA THR I 58 44.433 46.488 6.952 1.00 13.59 C ATOM 2326 C THR I 58 45.278 45.235 6.922 1.00 14.62 C ATOM 2327 O THR I 58 44.867 44.167 6.393 1.00 14.47 O ATOM 2328 CB THR I 58 43.578 46.472 8.248 1.00 14.17 C ATOM 2329 OG1 THR I 58 42.625 45.375 8.192 1.00 15.34 O ATOM 2330 CG2 THR I 58 42.713 47.695 8.378 1.00 12.89 C ATOM 2331 N LYS I 59 46.484 45.335 7.476 1.00 12.74 N ATOM 2332 CA LYS I 59 47.433 44.232 7.515 1.00 12.78 C ATOM 2333 C LYS I 59 47.653 43.581 8.904 1.00 12.03 C ATOM 2334 O LYS I 59 48.760 43.129 9.242 1.00 12.02 O ATOM 2335 CB LYS I 59 48.784 44.647 6.850 1.00 12.60 C ATOM 2336 CG LYS I 59 48.657 44.981 5.342 1.00 16.18 C ATOM 2337 CD LYS I 59 48.366 43.677 4.575 1.00 19.46 C ATOM 2338 CE LYS I 59 47.220 43.894 3.613 1.00 19.37 C ATOM 2339 NZ LYS I 59 47.186 42.837 2.557 1.00 23.82 N ATOM 2340 N GLU I 60 46.571 43.459 9.672 1.00 13.21 N ATOM 2341 CA GLU I 60 46.590 42.590 10.845 1.00 12.94 C ATOM 2342 C GLU I 60 46.255 41.159 10.379 1.00 13.04 C ATOM 2343 O GLU I 60 45.680 40.962 9.294 1.00 13.86 O ATOM 2344 CB GLU I 60 45.665 43.117 11.963 1.00 13.24 C ATOM 2345 CG GLU I 60 44.199 42.642 11.945 1.00 14.79 C ATOM 2346 CD GLU I 60 43.311 43.297 10.896 1.00 13.94 C ATOM 2347 OE1 GLU I 60 43.791 43.621 9.795 1.00 14.47 O ATOM 2348 OE2 GLU I 60 42.091 43.463 11.153 1.00 16.24 O ATOM 2349 N TYR I 61 46.697 40.184 11.157 1.00 12.86 N ATOM 2350 CA TYR I 61 46.527 38.771 10.792 1.00 14.10 C ATOM 2351 C TYR I 61 45.506 38.158 11.756 1.00 15.16 C ATOM 2352 O TYR I 61 45.696 38.147 12.976 1.00 14.56 O ATOM 2353 CB TYR I 61 47.856 38.046 10.852 1.00 14.31 C ATOM 2354 CG TYR I 61 47.746 36.574 10.495 1.00 18.17 C ATOM 2355 CD1 TYR I 61 47.678 36.185 9.162 1.00 21.39 C ATOM 2356 CD2 TYR I 61 47.706 35.613 11.491 1.00 24.94 C ATOM 2357 CE1 TYR I 61 47.569 34.838 8.816 1.00 27.22 C ATOM 2358 CE2 TYR I 61 47.569 34.258 11.155 1.00 28.72 C ATOM 2359 CZ TYR I 61 47.515 33.892 9.828 1.00 30.26 C ATOM 2360 OH TYR I 61 47.391 32.549 9.502 1.00 36.83 O ATOM 2361 N ARG I 62 44.392 37.693 11.188 1.00 15.71 N ATOM 2362 CA ARG I 62 43.266 37.179 11.962 1.00 17.26 C ATOM 2363 C ARG I 62 43.067 35.752 11.481 1.00 19.16 C ATOM 2364 O ARG I 62 42.629 35.521 10.334 1.00 18.11 O ATOM 2365 CB ARG I 62 42.000 38.004 11.718 1.00 17.15 C ATOM 2366 CG AARG I 62 42.071 39.395 12.287 0.50 18.85 C ATOM 2367 CG BARG I 62 41.832 39.308 12.608 0.50 16.03 C ATOM 2368 CD AARG I 62 41.682 39.404 13.708 0.50 21.92 C ATOM 2369 CD BARG I 62 40.578 40.190 12.287 0.50 14.17 C ATOM 2370 NE AARG I 62 40.536 38.538 13.962 0.50 24.75 N ATOM 2371 NE BARG I 62 40.575 41.527 12.916 0.50 17.23 N ATOM 2372 CZ AARG I 62 39.272 38.896 13.781 0.50 22.93 C ATOM 2373 CZ BARG I 62 40.016 41.807 14.093 0.50 19.30 C ATOM 2374 NH1AARG I 62 38.969 40.107 13.306 0.50 25.86 N ATOM 2375 NH1BARG I 62 39.428 40.843 14.786 0.50 19.49 N ATOM 2376 NH2AARG I 62 38.314 38.038 14.075 0.50 18.19 N ATOM 2377 NH2BARG I 62 40.057 43.049 14.598 0.50 18.53 N ATOM 2378 N ILE I 63 43.381 34.796 12.358 1.00 19.35 N ATOM 2379 CA ILE I 63 43.342 33.391 12.018 1.00 21.15 C ATOM 2380 C ILE I 63 41.916 32.910 11.665 1.00 19.32 C ATOM 2381 O ILE I 63 41.763 31.950 10.918 1.00 20.37 O ATOM 2382 CB ILE I 63 43.962 32.535 13.206 1.00 22.10 C ATOM 2383 CG1 ILE I 63 44.148 31.075 12.786 1.00 26.80 C ATOM 2384 CG2 ILE I 63 43.091 32.603 14.422 1.00 25.23 C ATOM 2385 CD1 ILE I 63 45.185 30.869 11.692 1.00 34.04 C ATOM 2386 N ASP I 64 40.908 33.600 12.168 1.00 19.66 N ATOM 2387 CA ASP I 64 39.508 33.204 11.981 1.00 20.14 C ATOM 2388 C ASP I 64 38.916 33.817 10.711 1.00 18.74 C ATOM 2389 O ASP I 64 37.788 33.505 10.337 1.00 18.80 O ATOM 2390 CB ASP I 64 38.704 33.731 13.151 1.00 21.48 C ATOM 2391 CG AASP I 64 38.945 35.215 13.375 0.50 22.31 C ATOM 2392 CG BASP I 64 39.041 33.044 14.434 0.50 24.38 C ATOM 2393 OD1AASP I 64 38.000 35.996 13.186 0.50 24.67 O ATOM 2394 OD1BASP I 64 39.381 33.743 15.416 0.50 26.97 O ATOM 2395 OD2AASP I 64 40.064 35.690 13.679 0.50 25.71 O ATOM 2396 OD2BASP I 64 38.982 31.799 14.550 0.50 28.59 O ATOM 2397 N ARG I 65 39.647 34.730 10.070 1.00 16.34 N ATOM 2398 CA ARG I 65 39.072 35.541 8.985 1.00 15.18 C ATOM 2399 C ARG I 65 39.446 34.995 7.622 1.00 13.44 C ATOM 2400 O ARG I 65 40.557 34.520 7.401 1.00 14.02 O ATOM 2401 CB ARG I 65 39.568 36.995 9.067 1.00 14.45 C ATOM 2402 CG ARG I 65 39.050 37.943 7.914 1.00 13.83 C ATOM 2403 CD ARG I 65 39.349 39.434 8.229 1.00 15.48 C ATOM 2404 NE ARG I 65 40.817 39.593 8.243 1.00 14.09 N ATOM 2405 CZ ARG I 65 41.418 40.704 8.732 1.00 14.56 C ATOM 2406 NH1 ARG I 65 40.663 41.712 9.178 1.00 15.99 N ATOM 2407 NH2 ARG I 65 42.736 40.795 8.715 1.00 16.85 N ATOM 2408 N VAL I 66 38.476 35.058 6.695 1.00 13.28 N ATOM 2409 CA VAL I 66 38.753 34.881 5.262 1.00 14.03 C ATOM 2410 C VAL I 66 38.121 35.993 4.462 1.00 13.78 C ATOM 2411 O VAL I 66 36.897 36.122 4.378 1.00 14.20 O ATOM 2412 CB VAL I 66 38.251 33.506 4.713 1.00 14.17 C ATOM 2413 CG1 VAL I 66 38.682 33.372 3.250 1.00 14.37 C ATOM 2414 CG2 VAL I 66 38.832 32.334 5.534 1.00 12.94 C ATOM 2415 N ARG I 67 38.955 36.878 3.922 1.00 13.70 N ATOM 2416 CA ARG I 67 38.468 37.910 3.022 1.00 13.25 C ATOM 2417 C ARG I 67 38.270 37.299 1.622 1.00 12.61 C ATOM 2418 O ARG I 67 39.150 36.563 1.121 1.00 14.16 O ATOM 2419 CB ARG I 67 39.501 39.046 2.943 1.00 14.19 C ATOM 2420 CG ARG I 67 39.557 39.868 4.225 1.00 15.48 C ATOM 2421 CD ARG I 67 40.745 40.859 4.236 1.00 18.91 C ATOM 2422 NE ARG I 67 40.511 41.926 5.206 1.00 17.94 N ATOM 2423 CZ ARG I 67 41.504 42.677 5.751 1.00 21.44 C ATOM 2424 NH1 ARG I 67 42.753 42.440 5.433 1.00 20.96 N ATOM 2425 NH2 ARG I 67 41.209 43.651 6.579 1.00 21.29 N ATOM 2426 N LEU I 68 37.136 37.628 0.993 1.00 12.63 N ATOM 2427 CA LEU I 68 36.850 37.207 -0.393 1.00 12.62 C ATOM 2428 C LEU I 68 36.841 38.458 -1.265 1.00 12.21 C ATOM 2429 O LEU I 68 36.022 39.346 -1.051 1.00 13.62 O ATOM 2430 CB LEU I 68 35.459 36.539 -0.466 1.00 12.98 C ATOM 2431 CG LEU I 68 35.404 35.207 0.223 1.00 15.05 C ATOM 2432 CD1 LEU I 68 33.957 34.655 0.092 1.00 13.36 C ATOM 2433 CD2 LEU I 68 36.424 34.265 -0.339 1.00 14.50 C ATOM 2434 N PHE I 69 37.758 38.522 -2.207 1.00 12.07 N ATOM 2435 CA PHE I 69 37.864 39.672 -3.103 1.00 13.41 C ATOM 2436 C PHE I 69 37.156 39.341 -4.397 1.00 13.59 C ATOM 2437 O PHE I 69 37.556 38.406 -5.105 1.00 14.43 O ATOM 2438 CB PHE I 69 39.330 40.005 -3.345 1.00 13.34 C ATOM 2439 CG PHE I 69 40.000 40.598 -2.127 1.00 14.58 C ATOM 2440 CD1 PHE I 69 39.810 41.938 -1.822 1.00 17.42 C ATOM 2441 CD2 PHE I 69 40.761 39.827 -1.283 1.00 15.54 C ATOM 2442 CE1 PHE I 69 40.419 42.525 -0.664 1.00 17.66 C ATOM 2443 CE2 PHE I 69 41.383 40.415 -0.117 1.00 16.37 C ATOM 2444 CZ PHE I 69 41.182 41.749 0.172 1.00 15.53 C ATOM 2445 N VAL I 70 36.101 40.109 -4.665 1.00 14.38 N ATOM 2446 CA VAL I 70 35.272 39.883 -5.844 1.00 15.35 C ATOM 2447 C VAL I 70 35.422 40.916 -6.945 1.00 16.61 C ATOM 2448 O VAL I 70 35.672 42.105 -6.678 1.00 17.57 O ATOM 2449 CB VAL I 70 33.778 39.796 -5.463 1.00 15.18 C ATOM 2450 CG1 VAL I 70 33.531 38.526 -4.613 1.00 16.99 C ATOM 2451 CG2 VAL I 70 33.293 41.021 -4.683 1.00 16.47 C ATOM 2452 N ASP I 71 35.212 40.467 -8.177 1.00 17.32 N ATOM 2453 CA ASP I 71 35.153 41.403 -9.299 1.00 17.84 C ATOM 2454 C ASP I 71 33.762 42.045 -9.379 1.00 18.33 C ATOM 2455 O ASP I 71 32.938 41.815 -8.515 1.00 18.32 O ATOM 2456 CB ASP I 71 35.639 40.749 -10.581 1.00 17.33 C ATOM 2457 CG ASP I 71 34.707 39.626 -11.084 1.00 18.71 C ATOM 2458 OD1 ASP I 71 33.513 39.595 -10.705 1.00 18.67 O ATOM 2459 OD2 ASP I 71 35.137 38.742 -11.842 1.00 21.84 O ATOM 2460 N ARG I 72 33.498 42.897 -10.386 1.00 19.85 N ATOM 2461 CA ARG I 72 32.221 43.607 -10.405 1.00 21.18 C ATOM 2462 C ARG I 72 31.038 42.698 -10.767 1.00 20.52 C ATOM 2463 O ARG I 72 29.887 43.164 -10.664 1.00 21.90 O ATOM 2464 CB ARG I 72 32.252 44.786 -11.397 1.00 22.04 C ATOM 2465 CG ARG I 72 32.429 44.305 -12.790 1.00 27.60 C ATOM 2466 CD ARG I 72 32.473 45.372 -13.914 1.00 36.37 C ATOM 2467 NE ARG I 72 32.721 44.607 -15.133 1.00 42.81 N ATOM 2468 CZ ARG I 72 31.766 44.158 -15.946 1.00 46.26 C ATOM 2469 NH1 ARG I 72 30.485 44.465 -15.716 1.00 46.35 N ATOM 2470 NH2 ARG I 72 32.101 43.422 -17.006 1.00 47.81 N ATOM 2471 N LEU I 73 31.328 41.450 -11.177 1.00 18.86 N ATOM 2472 CA LEU I 73 30.285 40.426 -11.455 1.00 17.98 C ATOM 2473 C LEU I 73 29.963 39.566 -10.228 1.00 17.20 C ATOM 2474 O LEU I 73 29.029 38.759 -10.277 1.00 16.75 O ATOM 2475 CB LEU I 73 30.691 39.530 -12.634 1.00 18.05 C ATOM 2476 CG LEU I 73 31.018 40.225 -13.979 1.00 19.39 C ATOM 2477 CD1 LEU I 73 31.398 39.247 -15.085 1.00 20.47 C ATOM 2478 CD2 LEU I 73 29.868 41.149 -14.413 1.00 21.02 C ATOM 2479 N ASP I 74 30.671 39.796 -9.111 1.00 15.58 N ATOM 2480 CA ASP I 74 30.526 39.011 -7.874 1.00 15.35 C ATOM 2481 C ASP I 74 31.123 37.602 -7.993 1.00 13.42 C ATOM 2482 O ASP I 74 30.668 36.664 -7.304 1.00 12.15 O ATOM 2483 CB ASP I 74 29.077 38.955 -7.362 1.00 15.41 C ATOM 2484 CG ASP I 74 28.890 39.616 -5.997 1.00 17.36 C ATOM 2485 OD1 ASP I 74 29.837 40.330 -5.531 1.00 21.78 O ATOM 2486 OD2 ASP I 74 27.826 39.528 -5.333 1.00 17.03 O ATOM 2487 N ASN I 75 32.146 37.475 -8.836 1.00 13.29 N ATOM 2488 CA ASN I 75 32.933 36.254 -8.910 1.00 13.01 C ATOM 2489 C ASN I 75 34.275 36.463 -8.171 1.00 13.27 C ATOM 2490 O ASN I 75 34.792 37.597 -8.080 1.00 13.81 O ATOM 2491 CB ASN I 75 33.183 35.843 -10.355 1.00 12.85 C ATOM 2492 CG ASN I 75 31.901 35.521 -11.092 1.00 12.68 C ATOM 2493 OD1 ASN I 75 30.987 34.954 -10.518 1.00 12.68 O ATOM 2494 ND2 ASN I 75 31.834 35.918 -12.366 1.00 14.07 N ATOM 2495 N ILE I 76 34.822 35.385 -7.615 1.00 12.38 N ATOM 2496 CA ILE I 76 36.110 35.484 -6.913 1.00 11.79 C ATOM 2497 C ILE I 76 37.258 35.827 -7.868 1.00 13.04 C ATOM 2498 O ILE I 76 37.514 35.141 -8.874 1.00 13.30 O ATOM 2499 CB ILE I 76 36.406 34.132 -6.188 1.00 11.73 C ATOM 2500 CG1 ILE I 76 35.284 33.758 -5.213 1.00 10.58 C ATOM 2501 CG2 ILE I 76 37.816 34.152 -5.525 1.00 11.26 C ATOM 2502 CD1 ILE I 76 34.995 34.818 -4.087 1.00 12.53 C ATOM 2503 N ALA I 77 38.016 36.863 -7.487 1.00 13.46 N ATOM 2504 CA ALA I 77 39.035 37.451 -8.363 1.00 15.76 C ATOM 2505 C ALA I 77 40.459 37.195 -7.898 1.00 17.28 C ATOM 2506 O ALA I 77 41.407 37.368 -8.676 1.00 19.70 O ATOM 2507 CB ALA I 77 38.798 38.948 -8.505 1.00 16.55 C ATOM 2508 N GLN I 78 40.610 36.744 -6.653 1.00 16.25 N ATOM 2509 CA GLN I 78 41.932 36.458 -6.084 1.00 16.64 C ATOM 2510 C GLN I 78 41.822 35.227 -5.190 1.00 15.15 C ATOM 2511 O GLN I 78 40.733 34.948 -4.670 1.00 14.53 O ATOM 2512 CB GLN I 78 42.416 37.669 -5.279 1.00 17.92 C ATOM 2513 CG AGLN I 78 43.237 38.633 -6.184 0.67 21.49 C ATOM 2514 CG BGLN I 78 42.564 38.979 -6.075 0.33 17.82 C ATOM 2515 CD AGLN I 78 43.332 40.047 -5.650 0.67 24.99 C ATOM 2516 CD BGLN I 78 43.965 39.152 -6.656 0.33 18.51 C ATOM 2517 OE1AGLN I 78 43.145 40.282 -4.447 0.67 22.62 O ATOM 2518 OE1BGLN I 78 44.674 38.169 -6.873 0.33 19.70 O ATOM 2519 NE2AGLN I 78 43.633 41.012 -6.552 0.67 23.02 N ATOM 2520 NE2BGLN I 78 44.361 40.396 -6.908 0.33 18.57 N ATOM 2521 N VAL I 79 42.924 34.498 -5.001 1.00 15.28 N ATOM 2522 CA VAL I 79 42.897 33.283 -4.193 1.00 14.96 C ATOM 2523 C VAL I 79 42.507 33.619 -2.752 1.00 14.59 C ATOM 2524 O VAL I 79 43.236 34.377 -2.064 1.00 14.52 O ATOM 2525 CB VAL I 79 44.297 32.569 -4.196 1.00 15.39 C ATOM 2526 CG1 VAL I 79 44.314 31.415 -3.250 1.00 14.89 C ATOM 2527 CG2 VAL I 79 44.682 32.113 -5.615 1.00 17.48 C ATOM 2528 N PRO I 80 41.394 33.085 -2.254 1.00 13.37 N ATOM 2529 CA PRO I 80 41.048 33.297 -0.832 1.00 13.57 C ATOM 2530 C PRO I 80 42.090 32.633 0.088 1.00 13.70 C ATOM 2531 O PRO I 80 42.549 31.493 -0.167 1.00 13.77 O ATOM 2532 CB PRO I 80 39.697 32.580 -0.685 1.00 13.05 C ATOM 2533 CG PRO I 80 39.133 32.552 -2.140 1.00 13.01 C ATOM 2534 CD PRO I 80 40.378 32.278 -2.976 1.00 12.54 C ATOM 2535 N ARG I 81 42.451 33.345 1.149 1.00 15.11 N ATOM 2536 CA ARG I 81 43.360 32.777 2.156 1.00 16.68 C ATOM 2537 C ARG I 81 42.962 33.226 3.537 1.00 15.89 C ATOM 2538 O ARG I 81 42.336 34.271 3.708 1.00 15.89 O ATOM 2539 CB ARG I 81 44.791 33.222 1.869 1.00 19.19 C ATOM 2540 CG ARG I 81 44.938 34.758 1.894 1.00 24.76 C ATOM 2541 CD ARG I 81 46.342 35.297 1.588 1.00 35.03 C ATOM 2542 NE ARG I 81 47.380 34.515 2.242 1.00 37.52 N ATOM 2543 CZ ARG I 81 48.062 33.543 1.643 1.00 42.34 C ATOM 2544 NH1 ARG I 81 47.801 33.235 0.370 1.00 42.29 N ATOM 2545 NH2 ARG I 81 48.998 32.874 2.319 1.00 41.70 N ATOM 2546 N VAL I 82 43.304 32.409 4.531 1.00 15.38 N ATOM 2547 CA VAL I 82 43.064 32.816 5.925 1.00 14.40 C ATOM 2548 C VAL I 82 43.946 34.008 6.284 1.00 15.66 C ATOM 2549 O VAL I 82 45.098 34.068 5.847 1.00 16.54 O ATOM 2550 CB VAL I 82 43.313 31.622 6.888 1.00 15.26 C ATOM 2551 CG1AVAL I 82 43.452 32.098 8.331 0.50 14.77 C ATOM 2552 CG1BVAL I 82 42.462 30.427 6.467 0.50 14.44 C ATOM 2553 CG2AVAL I 82 42.206 30.578 6.753 0.50 14.51 C ATOM 2554 CG2BVAL I 82 44.752 31.234 6.960 0.50 16.16 C ATOM 2555 N GLY I 83 43.405 34.910 7.078 1.00 14.82 N ATOM 2556 CA GLY I 83 44.223 35.993 7.630 1.00 15.72 C ATOM 2557 C GLY I 83 43.483 37.291 7.737 1.00 15.76 C ATOM 2558 O GLY I 83 43.946 38.250 8.429 1.00 16.19 O ATOM 2559 OXT GLY I 83 42.388 37.539 7.175 1.00 15.06 O TER 2560 GLY I 83 HETATM 2561 CA CA E 450 50.629 54.859 29.087 1.00 13.07 CA HETATM 2562 NA NA E 451 59.841 49.388 -0.381 1.00 15.98 NA HETATM 2563 C1 CIT E 452 74.352 68.335 9.293 1.00 12.93 C HETATM 2564 O1 CIT E 452 75.487 67.848 9.194 1.00 15.66 O HETATM 2565 O2 CIT E 452 73.799 68.896 8.291 1.00 17.35 O HETATM 2566 C2 CIT E 452 73.650 68.293 10.641 1.00 11.32 C HETATM 2567 C3 CIT E 452 74.374 67.532 11.798 1.00 16.50 C HETATM 2568 O7 CIT E 452 75.856 67.831 12.265 1.00 12.96 O HETATM 2569 C4 CIT E 452 73.187 67.308 12.817 1.00 11.77 C HETATM 2570 C5 CIT E 452 73.278 66.115 13.781 1.00 14.57 C HETATM 2571 O3 CIT E 452 74.379 65.575 13.988 1.00 15.77 O HETATM 2572 O4 CIT E 452 72.248 65.660 14.353 1.00 12.57 O HETATM 2573 C6 CIT E 452 74.745 66.294 11.295 1.00 24.05 C HETATM 2574 O5 CIT E 452 75.994 66.037 11.436 1.00 12.08 O HETATM 2575 O6 CIT E 452 73.769 65.701 10.820 1.00 14.54 O HETATM 2576 C1 CIT E 453 74.504 62.888 7.078 1.00 36.08 C HETATM 2577 O1 CIT E 453 75.159 62.202 6.249 1.00 34.75 O HETATM 2578 O2 CIT E 453 73.976 63.959 6.663 1.00 32.77 O HETATM 2579 C2 CIT E 453 74.343 62.391 8.525 1.00 34.12 C HETATM 2580 C3 CIT E 453 75.550 62.607 9.462 1.00 32.33 C HETATM 2581 O7 CIT E 453 75.539 61.854 10.737 1.00 32.52 O HETATM 2582 C4 CIT E 453 76.886 62.893 8.732 1.00 27.45 C HETATM 2583 C5 CIT E 453 77.930 63.628 9.591 1.00 31.13 C HETATM 2584 O3 CIT E 453 78.134 63.394 10.817 1.00 26.74 O HETATM 2585 O4 CIT E 453 78.636 64.520 9.061 1.00 31.86 O HETATM 2586 C6 CIT E 453 75.288 63.845 10.131 1.00 31.74 C HETATM 2587 O5 CIT E 453 75.054 63.773 11.396 1.00 19.15 O HETATM 2588 O6 CIT E 453 75.398 64.834 9.361 1.00 21.16 O HETATM 2589 C14 1PE E 454 61.128 57.956 30.237 1.00 28.54 C HETATM 2590 OH5 1PE E 454 60.931 59.370 30.263 1.00 26.04 O HETATM 2591 C15 1PE E 454 61.838 61.110 28.883 1.00 26.09 C HETATM 2592 C25 1PE E 454 61.058 59.802 28.915 1.00 26.25 C HETATM 2593 OH6 1PE E 454 60.829 62.128 29.083 1.00 27.69 O HETATM 2594 C16 1PE E 454 60.505 64.535 29.497 1.00 34.02 C HETATM 2595 C26 1PE E 454 61.438 63.438 28.986 1.00 30.22 C HETATM 2596 OH7A1PE E 454 59.514 64.806 28.501 0.50 33.19 O HETATM 2597 OH7B1PE E 454 60.303 64.382 30.896 0.50 32.58 O HETATM 2598 OH2 1PE E 455 61.641 69.984 1.604 1.00 61.51 O HETATM 2599 C12 1PE E 455 61.306 70.937 0.591 1.00 61.86 C HETATM 2600 C22 1PE E 455 59.992 70.526 -0.070 1.00 61.02 C HETATM 2601 OH3 1PE E 455 58.958 70.581 0.916 1.00 60.25 O HETATM 2602 C13 1PE E 455 56.577 70.305 1.268 1.00 56.87 C HETATM 2603 C23 1PE E 455 57.672 70.871 0.363 1.00 58.64 C HETATM 2604 OH4 1PE E 455 57.132 69.485 2.301 1.00 54.38 O HETATM 2605 C14 1PE E 455 56.523 67.622 3.728 1.00 51.34 C HETATM 2606 C24 1PE E 455 56.137 68.999 3.205 1.00 53.63 C HETATM 2607 OH5 1PE E 455 57.079 67.744 5.039 1.00 49.37 O HETATM 2608 C15 1PE E 455 59.082 67.430 6.328 1.00 51.00 C HETATM 2609 C25 1PE E 455 58.152 66.837 5.280 1.00 49.49 C HETATM 2610 OH6 1PE E 455 60.399 67.576 5.802 1.00 51.18 O HETATM 2611 C16 1PE E 455 61.833 69.528 6.113 1.00 55.45 C HETATM 2612 C26 1PE E 455 61.248 68.255 6.729 1.00 53.82 C HETATM 2613 OH7 1PE E 455 61.903 69.388 4.695 1.00 57.04 O HETATM 2614 OH3 1PE E 456 40.348 68.342 12.295 1.00 59.46 O HETATM 2615 C13 1PE E 456 41.214 69.728 14.080 1.00 60.09 C HETATM 2616 C23 1PE E 456 39.966 69.184 13.385 1.00 60.07 C HETATM 2617 OH4 1PE E 456 41.690 68.801 15.060 1.00 60.09 O HETATM 2618 C14 1PE E 456 42.611 68.422 17.292 1.00 57.66 C HETATM 2619 C24 1PE E 456 41.975 69.420 16.323 1.00 60.00 C HETATM 2620 OH5 1PE E 456 41.602 67.627 17.905 1.00 56.50 O HETATM 2621 C15 1PE E 456 40.741 65.348 18.008 1.00 56.64 C HETATM 2622 C25 1PE E 456 41.966 66.259 17.955 1.00 55.62 C HETATM 2623 OH6 1PE E 456 39.647 65.921 18.719 1.00 58.89 O HETATM 2624 C16 1PE E 456 38.351 66.079 20.757 1.00 61.28 C HETATM 2625 C26 1PE E 456 39.474 65.353 20.022 1.00 60.57 C HETATM 2626 OH7 1PE E 456 37.176 66.040 19.958 1.00 60.85 O HETATM 2627 O HOH E 457 53.031 42.955 23.544 1.00 9.49 O HETATM 2628 O HOH E 458 50.179 47.909 16.339 1.00 10.02 O HETATM 2629 O HOH E 459 52.597 48.419 21.200 1.00 9.08 O HETATM 2630 O HOH E 460 54.999 44.261 22.024 1.00 10.56 O HETATM 2631 O HOH E 461 49.963 63.878 19.779 1.00 13.70 O HETATM 2632 O HOH E 462 61.577 64.182 22.597 1.00 10.21 O HETATM 2633 O HOH E 463 48.597 52.845 9.375 1.00 10.93 O HETATM 2634 O HOH E 464 66.957 45.971 18.593 1.00 11.05 O HETATM 2635 O HOH E 465 68.021 49.946 13.203 1.00 10.53 O HETATM 2636 O HOH E 466 61.017 63.420 7.803 1.00 13.09 O HETATM 2637 O HOH E 467 52.563 50.671 22.704 1.00 10.14 O HETATM 2638 O HOH E 468 49.565 59.918 21.852 1.00 10.42 O HETATM 2639 O HOH E 469 53.605 60.989 26.585 1.00 11.65 O HETATM 2640 O HOH E 470 66.729 49.822 25.565 1.00 14.93 O HETATM 2641 O HOH E 471 59.062 45.360 28.027 1.00 13.55 O HETATM 2642 O HOH E 472 71.644 46.281 15.998 1.00 12.16 O HETATM 2643 O HOH E 473 55.028 46.914 21.273 1.00 9.18 O HETATM 2644 O HOH E 474 51.789 61.798 22.051 1.00 12.83 O HETATM 2645 O HOH E 475 68.869 44.012 18.578 1.00 16.55 O HETATM 2646 O HOH E 476 61.142 53.794 28.604 1.00 14.22 O HETATM 2647 O HOH E 477 54.809 66.505 19.863 1.00 15.40 O HETATM 2648 O HOH E 478 43.042 53.144 30.425 1.00 13.32 O HETATM 2649 O HOH E 479 43.977 56.533 11.171 1.00 13.44 O HETATM 2650 O HOH E 480 56.525 46.826 31.824 1.00 14.82 O HETATM 2651 O HOH E 481 71.074 51.859 3.811 1.00 14.70 O HETATM 2652 O HOH E 482 60.402 56.034 3.095 1.00 13.75 O HETATM 2653 O HOH E 483 67.890 64.033 1.344 1.00 14.93 O HETATM 2654 O HOH E 484 70.076 67.433 14.349 1.00 13.56 O HETATM 2655 O HOH E 485 52.100 47.685 2.024 1.00 13.60 O HETATM 2656 O HOH E 486 54.162 42.581 26.072 1.00 15.49 O HETATM 2657 O HOH E 487 62.359 57.681 4.410 1.00 14.27 O HETATM 2658 O HOH E 488 61.348 48.194 1.275 1.00 15.79 O HETATM 2659 O HOH E 489 43.037 51.185 32.334 1.00 16.91 O HETATM 2660 O HOH E 490 74.156 54.644 4.034 1.00 15.71 O HETATM 2661 O HOH E 491 64.784 60.423 0.570 1.00 19.16 O HETATM 2662 O HOH E 492 62.829 56.503 0.616 1.00 17.79 O HETATM 2663 O HOH E 493 71.407 56.612 20.592 1.00 16.13 O HETATM 2664 O HOH E 494 36.688 44.296 27.348 1.00 15.54 O HETATM 2665 O HOH E 495 74.800 55.647 8.120 1.00 15.74 O HETATM 2666 O HOH E 496 40.421 44.055 24.723 1.00 16.15 O HETATM 2667 O HOH E 497 70.646 41.972 4.874 1.00 19.24 O HETATM 2668 O HOH E 498 36.736 53.182 11.071 1.00 20.60 O HETATM 2669 O HOH E 499 66.438 54.375 32.750 1.00 19.73 O HETATM 2670 O HOH E 500 56.446 61.258 26.583 1.00 18.34 O HETATM 2671 O HOH E 501 56.371 48.969 33.535 1.00 17.33 O HETATM 2672 O HOH E 502 75.356 52.542 15.612 1.00 19.91 O HETATM 2673 O HOH E 503 51.539 45.000 1.588 1.00 18.55 O HETATM 2674 O HOH E 504 68.759 39.702 8.248 1.00 18.16 O HETATM 2675 O HOH E 505 49.539 67.352 -1.249 1.00 22.70 O HETATM 2676 O HOH E 506 68.388 56.172 2.515 1.00 17.67 O HETATM 2677 O HOH E 507 71.961 54.022 2.467 1.00 20.17 O HETATM 2678 O HOH E 508 63.368 65.263 5.428 1.00 14.86 O HETATM 2679 O HOH E 509 70.765 63.049 3.717 1.00 18.95 O HETATM 2680 O HOH E 510 59.347 54.013 -5.461 1.00 17.71 O HETATM 2681 O HOH E 511 55.499 61.772 -7.700 1.00 23.57 O HETATM 2682 O HOH E 512 73.554 39.653 13.540 1.00 21.97 O HETATM 2683 O HOH E 513 72.603 49.062 20.652 1.00 19.04 O HETATM 2684 O HOH E 514 38.494 55.299 24.379 1.00 18.87 O HETATM 2685 O HOH E 515 36.357 55.244 18.110 1.00 20.51 O HETATM 2686 O HOH E 516 64.052 58.367 2.198 1.00 16.76 O HETATM 2687 O HOH E 517 45.452 51.360 35.630 1.00 18.44 O HETATM 2688 O HOH E 518 68.099 53.495 1.835 1.00 20.07 O HETATM 2689 O HOH E 519 37.646 57.718 27.586 1.00 23.59 O HETATM 2690 O HOH E 520 40.076 45.029 9.513 1.00 21.38 O HETATM 2691 O HOH E 521 53.267 47.440 35.160 1.00 22.38 O HETATM 2692 O HOH E 522 63.914 62.386 -1.057 1.00 22.97 O HETATM 2693 O HOH E 523 60.863 59.927 -4.228 1.00 21.30 O HETATM 2694 O HOH E 524 78.454 57.253 17.236 1.00 24.22 O HETATM 2695 O HOH E 525 48.370 58.519 34.322 1.00 23.44 O HETATM 2696 O HOH E 526 67.938 41.485 19.336 1.00 21.18 O HETATM 2697 O HOH E 527 59.053 37.882 6.371 1.00 18.45 O HETATM 2698 O HOH E 528 46.930 53.130 37.025 1.00 22.56 O HETATM 2699 O HOH E 529 46.876 36.828 5.382 1.00 25.81 O HETATM 2700 O HOH E 530 50.667 62.225 -6.047 1.00 26.59 O HETATM 2701 O HOH E 531 61.312 63.689 25.840 1.00 21.15 O HETATM 2702 O HOH E 532 65.458 41.906 1.348 1.00 22.37 O HETATM 2703 O HOH E 533 74.134 42.121 12.483 1.00 23.11 O HETATM 2704 O HOH E 534 58.295 33.163 -1.386 1.00 24.99 O HETATM 2705 O HOH E 535 45.967 50.746 32.913 1.00 21.64 O HETATM 2706 O HOH E 536 55.252 44.122 29.409 1.00 26.68 O HETATM 2707 O HOH E 537 70.311 55.403 27.050 1.00 22.98 O HETATM 2708 O HOH E 538 66.429 43.430 21.700 1.00 24.96 O HETATM 2709 O HOH E 539 61.537 42.674 24.915 1.00 22.48 O HETATM 2710 O HOH E 540 72.555 65.706 8.277 0.50 13.95 O HETATM 2711 O HOH E 541 48.388 60.936 30.357 1.00 25.76 O HETATM 2712 O HOH E 542 56.233 37.088 20.584 1.00 24.03 O HETATM 2713 O HOH E 543 69.484 49.170 25.063 1.00 23.23 O HETATM 2714 O HOH E 544 66.353 57.122 1.208 1.00 24.03 O HETATM 2715 O HOH E 545 51.845 45.312 27.818 0.50 14.62 O HETATM 2716 O HOH E 546 57.377 68.972 9.434 1.00 24.78 O HETATM 2717 O HOH E 547 40.319 48.482 29.575 1.00 18.76 O HETATM 2718 O HOH E 548 64.115 48.305 0.885 1.00 22.83 O HETATM 2719 O HOH E 549 47.254 55.041 -11.852 1.00 27.46 O HETATM 2720 O HOH E 550 67.236 50.691 28.174 1.00 25.92 O HETATM 2721 O HOH E 551 65.289 47.656 25.771 1.00 23.52 O HETATM 2722 O HOH E 552 40.172 54.555 -6.398 1.00 27.66 O HETATM 2723 O HOH E 553 56.241 57.724 -9.540 1.00 26.58 O HETATM 2724 O HOH E 554 63.196 66.152 21.547 1.00 21.21 O HETATM 2725 O HOH E 555 44.866 68.652 11.748 1.00 23.30 O HETATM 2726 O HOH E 556 45.134 54.252 -8.296 1.00 28.61 O HETATM 2727 O HOH E 557 48.491 36.827 21.320 1.00 29.82 O HETATM 2728 O HOH E 558 49.021 60.411 -7.432 1.00 22.60 O HETATM 2729 O HOH E 559 51.662 64.182 23.666 1.00 25.46 O HETATM 2730 O HOH E 560 44.669 45.686 -4.387 1.00 32.60 O HETATM 2731 O HOH E 561 36.754 50.459 29.249 1.00 25.31 O HETATM 2732 O HOH E 562 72.113 60.673 4.438 1.00 27.45 O HETATM 2733 O HOH E 563 43.211 63.028 21.908 1.00 25.94 O HETATM 2734 O HOH E 564 66.555 49.858 1.318 1.00 29.20 O HETATM 2735 O HOH E 565 71.779 54.893 24.975 1.00 28.18 O HETATM 2736 O HOH E 566 68.231 53.827 -2.152 1.00 43.83 O HETATM 2737 O HOH E 567 64.622 64.125 0.973 1.00 25.48 O HETATM 2738 O HOH E 568 33.183 49.782 5.751 1.00 24.26 O HETATM 2739 O HOH E 569 38.537 60.651 -0.555 1.00 26.61 O HETATM 2740 O HOH E 570 57.950 55.417 31.648 1.00 22.05 O HETATM 2741 O HOH E 571 53.960 56.719 -10.893 1.00 24.74 O HETATM 2742 O HOH E 572 65.113 45.832 0.645 1.00 28.23 O HETATM 2743 O HOH E 573 74.159 60.767 18.630 1.00 24.11 O HETATM 2744 O HOH E 574 35.287 55.557 22.226 1.00 30.37 O HETATM 2745 O HOH E 575 40.481 51.126 -5.460 1.00 29.06 O HETATM 2746 O HOH E 576 33.006 47.564 31.079 1.00 25.37 O HETATM 2747 O HOH E 577 58.952 45.875 30.983 1.00 25.58 O HETATM 2748 O HOH E 578 38.257 44.719 23.208 1.00 24.05 O HETATM 2749 O HOH E 579 38.126 65.480 7.594 1.00 25.35 O HETATM 2750 O HOH E 580 74.257 51.272 20.147 1.00 26.05 O HETATM 2751 O HOH E 581 75.912 51.268 17.843 1.00 26.39 O HETATM 2752 O HOH E 582 49.733 34.019 5.083 1.00 24.03 O HETATM 2753 O HOH E 583 35.146 62.058 4.532 1.00 32.23 O HETATM 2754 O HOH E 584 43.827 65.224 0.219 1.00 30.70 O HETATM 2755 O HOH E 585 67.854 52.871 29.372 1.00 24.15 O HETATM 2756 O HOH E 586 32.377 52.369 5.962 1.00 31.73 O HETATM 2757 O HOH E 587 49.839 66.515 20.634 1.00 26.74 O HETATM 2758 O HOH E 588 38.258 43.356 6.446 1.00 31.35 O HETATM 2759 O HOH E 589 45.077 61.332 28.523 1.00 29.46 O HETATM 2760 O HOH E 590 36.003 57.978 19.345 1.00 27.62 O HETATM 2761 O HOH E 591 37.408 48.179 21.260 1.00 30.29 O HETATM 2762 O HOH E 592 60.825 48.115 -2.174 1.00 20.95 O HETATM 2763 O HOH E 593 44.902 70.155 4.307 1.00 29.07 O HETATM 2764 O HOH E 594 57.987 61.425 28.740 1.00 19.92 O HETATM 2765 O HOH E 595 33.048 58.439 11.040 1.00 35.29 O HETATM 2766 O HOH E 596 42.930 60.846 24.405 1.00 21.08 O HETATM 2767 O HOH E 597 52.482 50.392 -9.545 1.00 28.63 O HETATM 2768 O HOH E 598 66.841 32.563 6.907 1.00 36.24 O HETATM 2769 O HOH E 599 69.543 68.019 24.038 1.00 36.87 O HETATM 2770 O HOH E 600 35.464 65.269 7.370 1.00 30.47 O HETATM 2771 O HOH E 601 35.434 50.750 3.541 1.00 28.74 O HETATM 2772 O HOH E 602 76.632 59.206 18.746 1.00 29.07 O HETATM 2773 O HOH E 603 61.966 67.349 17.257 1.00 28.73 O HETATM 2774 O HOH E 604 40.770 45.219 13.145 1.00 28.03 O HETATM 2775 O HOH E 605 34.888 45.783 31.057 1.00 27.01 O HETATM 2776 O HOH E 606 49.125 41.665 -1.092 1.00 34.42 O HETATM 2777 O HOH E 607 61.924 48.398 28.932 1.00 23.90 O HETATM 2778 O HOH E 608 46.235 37.927 19.572 1.00 30.80 O HETATM 2779 O HOH E 609 32.680 55.384 2.291 1.00 31.09 O HETATM 2780 O HOH E 610 56.005 60.550 -9.981 1.00 29.07 O HETATM 2781 O HOH E 611 48.693 40.384 2.980 1.00 31.98 O HETATM 2782 O HOH E 612 36.345 62.701 24.306 1.00 29.83 O HETATM 2783 O HOH E 613 31.024 48.526 7.266 1.00 36.24 O HETATM 2784 O HOH E 614 52.384 39.528 24.427 1.00 31.41 O HETATM 2785 O HOH E 615 54.560 54.435 -12.400 1.00 36.77 O HETATM 2786 O HOH E 616 67.171 43.976 2.508 1.00 31.65 O HETATM 2787 O HOH E 617 70.038 43.087 2.463 1.00 31.40 O HETATM 2788 O HOH E 618 39.007 44.074 18.924 1.00 28.18 O HETATM 2789 O HOH E 619 62.503 68.029 -0.116 1.00 32.89 O HETATM 2790 O HOH E 620 61.405 65.746 9.519 1.00 26.12 O HETATM 2791 O HOH E 621 51.181 69.592 -1.210 1.00 31.77 O HETATM 2792 O HOH E 622 61.801 40.463 23.546 1.00 27.43 O HETATM 2793 O HOH E 623 57.850 40.728 -8.125 1.00 37.08 O HETATM 2794 O HOH E 624 52.325 63.029 27.748 1.00 30.70 O HETATM 2795 O HOH E 625 56.175 28.630 -0.316 1.00 33.35 O HETATM 2796 O HOH E 626 59.812 58.626 -8.664 1.00 31.49 O HETATM 2797 O HOH E 627 63.558 65.602 8.225 1.00 33.83 O HETATM 2798 O HOH E 628 54.262 61.045 -11.957 1.00 31.32 O HETATM 2799 O HOH E 629 51.125 68.335 19.009 1.00 30.06 O HETATM 2800 O HOH E 630 63.710 56.610 -1.936 1.00 37.81 O HETATM 2801 O HOH E 631 61.068 47.191 31.207 1.00 31.98 O HETATM 2802 O HOH E 632 57.837 68.588 13.099 1.00 28.19 O HETATM 2803 O HOH E 633 51.332 32.065 5.730 1.00 33.01 O HETATM 2804 O HOH E 634 60.316 40.896 -6.789 1.00 33.00 O HETATM 2805 O HOH E 635 49.563 39.575 25.495 1.00 32.11 O HETATM 2806 O HOH E 636 49.231 48.001 39.724 1.00 33.98 O HETATM 2807 O HOH E 637 60.035 42.779 27.647 1.00 33.23 O HETATM 2808 O HOH E 638 49.040 45.409 28.569 1.00 40.43 O HETATM 2809 O HOH E 639 33.528 52.857 3.256 1.00 27.47 O HETATM 2810 O HOH E 640 63.850 43.415 25.199 1.00 33.27 O HETATM 2811 O HOH E 641 51.311 40.483 -2.043 1.00 34.38 O HETATM 2812 O HOH E 642 33.773 47.660 1.103 1.00 34.59 O HETATM 2813 O HOH E 643 54.817 39.938 26.506 1.00 34.18 O HETATM 2814 O HOH E 644 70.994 37.551 3.153 1.00 31.95 O HETATM 2815 O HOH E 645 56.364 30.534 6.415 1.00 29.61 O HETATM 2816 O HOH E 646 51.600 66.659 22.695 1.00 40.00 O HETATM 2817 O HOH E 647 56.047 33.038 18.156 1.00 33.60 O HETATM 2818 O HOH E 648 35.174 63.051 17.768 1.00 39.10 O HETATM 2819 O HOH E 649 80.582 52.742 12.930 1.00 32.42 O HETATM 2820 O HOH E 650 70.197 53.072 28.328 1.00 35.15 O HETATM 2821 O HOH E 651 46.228 60.704 -7.865 1.00 35.82 O HETATM 2822 O HOH E 652 62.393 67.042 12.091 1.00 32.51 O HETATM 2823 O HOH E 653 46.182 40.194 -0.628 1.00 37.71 O HETATM 2824 O HOH E 654 50.380 70.277 10.671 1.00 34.66 O HETATM 2825 O HOH E 655 52.868 58.630 -12.545 1.00 35.50 O HETATM 2826 O HOH E 656 49.720 61.003 -10.097 1.00 30.53 O HETATM 2827 O HOH E 657 74.365 57.288 4.307 1.00 21.96 O HETATM 2828 O HOH E 658 55.106 34.390 20.403 1.00 34.17 O HETATM 2829 O HOH E 659 57.496 38.348 25.608 1.00 35.73 O HETATM 2830 O HOH E 660 44.129 65.329 -2.578 1.00 42.56 O HETATM 2831 O HOH E 661 36.452 52.917 30.109 1.00 37.92 O HETATM 2832 O HOH E 662 47.565 69.941 10.320 1.00 37.68 O HETATM 2833 O HOH E 663 50.343 64.398 26.277 1.00 33.68 O HETATM 2834 O HOH E 664 58.926 47.408 -6.662 1.00 34.92 O HETATM 2835 O HOH E 665 50.258 58.827 -11.816 1.00 35.68 O HETATM 2836 O HOH E 666 63.510 65.613 27.149 1.00 35.66 O HETATM 2837 O HOH E 667 48.559 52.300 -12.942 1.00 35.31 O HETATM 2838 O HOH E 668 72.725 42.294 18.984 1.00 31.64 O HETATM 2839 O HOH E 669 63.423 31.680 9.699 1.00 33.61 O HETATM 2840 O HOH E 670 53.829 52.074 -11.490 1.00 40.70 O HETATM 2841 O HOH E 671 61.323 67.989 14.476 1.00 38.21 O HETATM 2842 O HOH E 672 35.140 50.797 17.442 1.00 32.65 O HETATM 2843 O HOH E 673 51.155 33.817 -0.919 1.00 33.80 O HETATM 2844 O HOH E 674 66.417 34.424 13.686 1.00 42.30 O HETATM 2845 O HOH E 675 34.253 57.333 24.942 1.00 33.98 O HETATM 2846 O HOH E 676 48.783 70.452 14.449 1.00 33.98 O HETATM 2847 O HOH E 677 61.454 67.985 -3.402 1.00 42.25 O HETATM 2848 O HOH E 678 64.378 47.622 28.225 1.00 36.24 O HETATM 2849 O HOH E 679 45.181 62.661 26.175 1.00 40.13 O HETATM 2850 O HOH E 680 54.382 69.087 16.256 1.00 35.30 O HETATM 2851 O HOH E 681 54.196 30.953 4.969 1.00 36.75 O HETATM 2852 O HOH E 682 54.667 40.979 -4.595 1.00 39.39 O HETATM 2853 O HOH E 683 47.968 48.755 37.352 1.00 30.55 O HETATM 2854 O HOH E 684 54.803 32.078 13.156 1.00 33.44 O HETATM 2855 O HOH E 685 53.592 43.300 -8.744 1.00 38.69 O HETATM 2856 O HOH E 686 70.848 39.483 5.955 1.00 34.33 O HETATM 2857 O HOH E 687 67.133 40.544 -0.595 1.00 41.86 O HETATM 2858 O HOH E 688 46.218 59.215 32.954 1.00 38.02 O HETATM 2859 O HOH E 689 59.739 31.527 17.888 1.00 32.76 O HETATM 2860 O HOH E 690 58.004 49.792 -8.288 1.00 32.89 O HETATM 2861 O HOH E 691 74.601 61.637 3.992 1.00 33.40 O HETATM 2862 O HOH E 692 52.557 34.738 21.176 1.00 38.34 O HETATM 2863 O HOH E 693 64.249 66.452 24.306 1.00 33.47 O HETATM 2864 O HOH E 694 60.586 31.429 8.410 1.00 35.77 O HETATM 2865 O HOH E 695 61.279 53.900 -7.749 1.00 37.43 O HETATM 2866 O HOH E 696 60.120 31.573 11.151 1.00 34.40 O HETATM 2867 O HOH E 697 74.236 58.881 22.200 1.00 43.98 O HETATM 2868 O HOH E 698 64.814 66.876 3.777 1.00 35.41 O HETATM 2869 O HOH E 699 68.412 36.350 -0.792 1.00 39.09 O HETATM 2870 O HOH E 700 47.481 47.163 29.447 1.00 40.98 O HETATM 2871 O HOH E 701 45.952 58.593 36.045 1.00 40.41 O HETATM 2872 O HOH E 702 71.475 44.284 19.885 1.00 39.19 O HETATM 2873 O HOH E 703 64.156 67.827 19.247 1.00 35.27 O HETATM 2874 O HOH E 704 47.543 68.217 20.687 1.00 40.70 O HETATM 2875 O HOH E 705 46.853 44.853 28.363 1.00 39.77 O HETATM 2876 O HOH E 706 45.613 70.000 14.401 1.00 33.76 O HETATM 2877 O HOH E 707 51.988 63.575 -8.081 1.00 33.67 O HETATM 2878 O HOH E 708 47.510 64.148 26.914 1.00 40.38 O HETATM 2879 O HOH E 709 41.509 68.463 8.833 1.00 42.52 O HETATM 2880 O HOH E 710 50.612 46.854 35.359 1.00 40.40 O HETATM 2881 O HOH E 711 51.153 69.620 -4.133 1.00 38.05 O HETATM 2882 O HOH E 712 73.110 37.312 9.489 1.00 44.23 O HETATM 2883 O HOH E 713 44.648 71.058 7.724 1.00 37.08 O HETATM 2884 O HOH E 714 38.536 64.315 25.019 1.00 44.72 O HETATM 2885 O HOH E 715 63.095 45.142 31.398 1.00 38.48 O HETATM 2886 O HOH E 716 60.108 30.447 0.192 1.00 37.62 O HETATM 2887 O HOH E 717 34.451 53.248 18.492 1.00 37.08 O HETATM 2888 O HOH E 718 50.314 35.714 -2.505 1.00 41.03 O HETATM 2889 O HOH E 719 46.265 47.947 32.768 1.00 36.76 O HETATM 2890 O HOH E 720 36.689 61.153 19.588 1.00 44.40 O HETATM 2891 O HOH E 721 63.254 47.676 -3.192 1.00 37.20 O HETATM 2892 O HOH E 722 46.598 69.645 18.425 1.00 38.63 O HETATM 2893 O HOH E 723 55.536 68.802 -2.328 1.00 37.42 O HETATM 2894 O HOH E 724 45.426 67.859 0.863 1.00 37.45 O HETATM 2895 O HOH E 725 30.037 60.213 8.540 1.00 41.22 O HETATM 2896 O HOH E 726 65.750 71.704 12.510 1.00 39.29 O HETATM 2897 O HOH E 727 53.384 47.548 37.983 1.00 43.87 O HETATM 2898 O HOH E 728 46.811 68.704 -1.460 1.00 38.97 O HETATM 2899 O HOH E 729 43.886 59.214 -7.430 1.00 40.37 O HETATM 2900 O HOH E 730 47.596 57.617 -13.053 1.00 37.81 O HETATM 2901 O HOH E 731 65.367 52.893 -2.342 1.00 43.04 O HETATM 2902 O HOH E 732 55.087 71.871 10.825 1.00 42.80 O HETATM 2903 O HOH E 733 66.361 54.044 -0.328 1.00 27.23 O HETATM 2904 O HOH E 734 51.877 61.745 29.330 1.00 37.07 O HETATM 2905 O HOH E 735 50.130 73.048 2.257 1.00 35.80 O HETATM 2906 O HOH E 736 42.943 60.618 -5.429 1.00 37.96 O HETATM 2907 O HOH E 737 49.977 35.011 18.086 1.00 37.32 O HETATM 2908 O HOH E 738 57.552 33.109 14.539 1.00 43.16 O HETATM 2909 O HOH E 739 73.247 46.269 21.133 1.00 42.48 O HETATM 2910 O HOH E 740 68.418 36.933 17.521 1.00 37.77 O HETATM 2911 O HOH E 741 46.954 63.129 -6.022 1.00 47.27 O HETATM 2912 O HOH E 742 51.830 41.450 -4.403 1.00 40.58 O HETATM 2913 O HOH E 743 64.145 71.939 14.463 1.00 37.54 O HETATM 2914 O HOH E 744 50.419 35.117 15.161 1.00 44.13 O HETATM 2915 O HOH E 745 54.362 33.759 15.157 1.00 40.82 O HETATM 2916 O HOH E 746 36.319 55.739 25.667 1.00 39.71 O HETATM 2917 O HOH E 747 68.534 50.145 -0.131 1.00 43.76 O HETATM 2918 O HOH E 748 58.257 55.696 -11.331 1.00 42.82 O HETATM 2919 O HOH E 749 78.557 45.236 16.711 1.00 44.39 O HETATM 2920 O HOH E 750 50.972 31.406 8.619 1.00 41.65 O HETATM 2921 O HOH E 751 52.729 43.814 27.972 0.50 19.54 O HETATM 2922 O HOH E 752 47.695 34.146 14.722 1.00 44.29 O HETATM 2923 O HOH E 753 61.802 66.566 -5.499 1.00 33.33 O HETATM 2924 O HOH E 754 31.894 54.876 -0.308 1.00 41.66 O HETATM 2925 O HOH E 755 58.800 34.168 20.770 1.00 33.69 O HETATM 2926 O HOH E 756 38.061 63.357 0.426 1.00 44.78 O HETATM 2927 O HOH E 757 43.615 56.424 -7.955 1.00 42.45 O HETATM 2928 O HOH E 758 63.972 49.613 -1.723 1.00 45.08 O HETATM 2929 O HOH E 759 71.760 38.519 17.531 1.00 43.39 O HETATM 2930 O HOH E 760 58.932 42.957 32.005 1.00 39.76 O HETATM 2931 O HOH E 761 36.405 48.802 18.194 1.00 39.03 O HETATM 2932 O HOH E 762 48.818 42.022 29.422 1.00 37.58 O HETATM 2933 O HOH E 763 62.305 53.659 32.888 1.00 13.88 O HETATM 2934 O HOH E 764 53.445 36.232 -5.056 1.00 43.00 O HETATM 2935 O HOH E 765 76.857 42.600 18.541 1.00 33.02 O HETATM 2936 O HOH E 766 56.328 46.900 -8.822 1.00 44.96 O HETATM 2937 O HOH E 767 74.601 57.996 6.790 1.00 37.56 O HETATM 2938 O HOH E 768 61.139 38.020 -6.520 1.00 50.00 O HETATM 2939 O HOH E 769 60.392 44.749 -7.046 1.00 36.38 O HETATM 2940 O HOH E 770 58.533 29.678 -7.020 1.00 43.55 O HETATM 2941 O HOH E 771 66.154 65.647 1.901 1.00 41.72 O HETATM 2942 O HOH E 772 31.820 45.500 4.217 1.00 39.63 O HETATM 2943 O HOH E 773 56.613 67.171 24.003 1.00 38.13 O HETATM 2944 O HOH E 774 65.963 32.913 16.293 1.00 45.33 O HETATM 2945 O HOH E 775 53.820 54.416 -15.071 1.00 44.33 O HETATM 2946 O HOH E 776 43.272 63.318 24.387 1.00 37.12 O HETATM 2947 O HOH E 777 73.975 39.900 16.315 1.00 24.43 O HETATM 2948 O HOH E 778 75.329 59.131 10.115 1.00 35.81 O HETATM 2949 O HOH E 779 49.094 48.599 32.280 1.00 19.09 O HETATM 2950 O HOH E 780 46.673 56.268 36.528 1.00231.12 O HETATM 2951 O HOH E 781 48.752 57.123 39.014 1.00 34.89 O HETATM 2952 O HOH E 782 80.407 62.036 16.416 0.50 25.06 O HETATM 2953 O HOH E 783 78.541 68.506 9.056 1.00 38.36 O HETATM 2954 O HOH E 784 35.582 48.769 0.131 1.00 38.64 O HETATM 2955 O HOH E 785 34.858 50.554 -1.942 1.00 47.43 O HETATM 2956 O HOH E 786 35.658 49.084 -6.202 1.00 46.76 O HETATM 2957 O HOH E 787 33.176 49.061 -5.285 1.00 50.58 O HETATM 2958 O HOH E 788 71.309 66.567 7.943 0.50 21.69 O HETATM 2959 O HOH E 789 60.365 54.506 31.187 1.00 24.15 O HETATM 2960 O HOH E 790 70.519 64.207 7.332 1.00 15.80 O HETATM 2961 O HOH E 791 75.025 62.892 14.189 0.50 12.24 O HETATM 2962 O HOH E 792 77.360 61.589 19.202 0.50 22.46 O HETATM 2963 O HOH E 793 38.917 68.174 16.464 1.00 40.20 O HETATM 2964 O HOH E 794 44.994 67.261 21.014 1.00 41.89 O HETATM 2965 O HOH E 795 43.040 70.067 9.966 1.00 41.31 O HETATM 2966 O HOH E 796 59.532 69.062 3.351 1.00 26.01 O HETATM 2967 O HOH E 797 71.414 40.575 0.917 1.00 45.97 O HETATM 2968 O HOH E 798 53.488 71.707 2.154 1.00 45.27 O HETATM 2969 O HOH E 799 59.143 70.970 4.742 1.00 48.20 O HETATM 2970 O HOH I 84 30.027 29.175 -8.481 1.00 13.74 O HETATM 2971 O HOH I 85 27.539 22.926 3.267 1.00 12.47 O HETATM 2972 O HOH I 86 28.693 25.428 3.889 1.00 13.67 O HETATM 2973 O HOH I 87 26.734 30.645 0.057 1.00 15.38 O HETATM 2974 O HOH I 88 41.825 36.731 4.614 1.00 14.08 O HETATM 2975 O HOH I 89 39.686 36.347 -2.516 1.00 15.94 O HETATM 2976 O HOH I 90 41.775 36.246 1.086 1.00 17.89 O HETATM 2977 O HOH I 91 31.234 31.050 10.593 1.00 17.67 O HETATM 2978 O HOH I 92 30.930 25.607 -10.086 1.00 17.57 O HETATM 2979 O HOH I 93 46.259 39.080 6.916 1.00 16.59 O HETATM 2980 O HOH I 94 42.282 36.883 -1.560 1.00 20.41 O HETATM 2981 O HOH I 95 34.241 37.132 -13.614 1.00 20.87 O HETATM 2982 O HOH I 96 47.282 32.628 5.765 1.00 25.43 O HETATM 2983 O HOH I 97 45.270 35.654 -6.224 1.00 24.50 O HETATM 2984 O HOH I 98 27.302 30.248 2.814 1.00 23.64 O HETATM 2985 O HOH I 99 44.032 39.050 -2.396 1.00 27.82 O HETATM 2986 O HOH I 100 30.698 40.660 3.564 1.00 25.75 O HETATM 2987 O HOH I 101 43.231 41.480 15.271 1.00 25.18 O HETATM 2988 O HOH I 102 26.424 28.289 6.586 1.00 21.82 O HETATM 2989 O HOH I 103 25.812 20.801 -0.488 1.00 24.08 O HETATM 2990 O HOH I 104 43.259 38.186 2.818 1.00 26.32 O HETATM 2991 O HOH I 105 31.225 34.268 8.165 1.00 24.92 O HETATM 2992 O HOH I 106 37.624 42.364 9.251 1.00 27.17 O HETATM 2993 O HOH I 107 24.845 23.403 -3.579 1.00 25.75 O HETATM 2994 O HOH I 108 43.817 43.972 -0.947 1.00 26.65 O HETATM 2995 O HOH I 109 23.859 25.061 -1.719 1.00 26.75 O HETATM 2996 O HOH I 110 45.172 42.209 0.700 1.00 28.98 O HETATM 2997 O HOH I 111 30.679 42.709 -7.082 1.00 24.82 O HETATM 2998 O HOH I 112 24.890 36.612 -2.516 1.00 28.93 O HETATM 2999 O HOH I 113 34.460 44.624 -7.260 1.00 25.49 O HETATM 3000 O HOH I 114 38.124 35.788 -11.524 1.00 30.47 O HETATM 3001 O HOH I 115 27.425 32.394 4.452 1.00 27.05 O HETATM 3002 O HOH I 116 34.660 21.962 1.115 1.00 31.50 O HETATM 3003 O HOH I 117 29.206 27.232 10.151 1.00 25.53 O HETATM 3004 O HOH I 118 37.950 29.361 12.097 1.00 30.63 O HETATM 3005 O HOH I 119 29.724 42.145 -3.447 1.00 27.36 O HETATM 3006 O HOH I 120 37.768 38.359 -12.252 1.00 30.41 O HETATM 3007 O HOH I 121 25.363 32.994 -0.119 1.00 30.63 O HETATM 3008 O HOH I 122 29.540 34.014 5.293 1.00 29.90 O HETATM 3009 O HOH I 123 38.778 21.244 7.310 1.00 29.17 O HETATM 3010 O HOH I 124 38.357 25.043 11.210 1.00 30.07 O HETATM 3011 O HOH I 125 23.523 31.489 -1.851 1.00 30.24 O HETATM 3012 O HOH I 126 49.617 43.171 1.153 1.00 34.80 O HETATM 3013 O HOH I 127 45.227 35.928 14.750 1.00 29.78 O HETATM 3014 O HOH I 128 43.821 29.620 -8.664 1.00 28.36 O HETATM 3015 O HOH I 129 35.782 44.016 -11.715 1.00 30.57 O HETATM 3016 O HOH I 130 27.930 42.401 -8.441 1.00 34.14 O HETATM 3017 O HOH I 131 28.558 31.466 9.378 1.00 33.20 O HETATM 3018 O HOH I 132 42.516 43.126 -4.485 0.50 22.54 O HETATM 3019 O HOH I 133 43.847 40.795 3.138 1.00 34.57 O HETATM 3020 O HOH I 134 31.887 43.959 -3.066 1.00 36.78 O HETATM 3021 O HOH I 135 35.051 32.856 -13.984 1.00 35.68 O HETATM 3022 O HOH I 136 23.975 24.691 0.882 1.00 35.92 O HETATM 3023 O HOH I 137 39.029 41.341 17.440 1.00 38.17 O HETATM 3024 O HOH I 138 26.044 34.598 3.332 1.00 40.47 O HETATM 3025 O HOH I 139 45.737 41.471 6.035 1.00 32.16 O HETATM 3026 O HOH I 140 28.459 20.185 -0.499 1.00 33.62 O HETATM 3027 O HOH I 141 45.788 35.257 -1.957 1.00 37.53 O HETATM 3028 O HOH I 142 32.251 44.992 -5.391 1.00 36.30 O HETATM 3029 O HOH I 143 37.752 22.518 -0.266 1.00 30.91 O HETATM 3030 O HOH I 144 36.504 46.283 -7.585 1.00 34.09 O HETATM 3031 O HOH I 145 31.970 44.606 -0.411 1.00 41.18 O HETATM 3032 O HOH I 146 31.187 23.089 -4.502 1.00 35.63 O HETATM 3033 O HOH I 147 31.590 20.986 -1.724 1.00 36.89 O HETATM 3034 O HOH I 148 29.102 22.920 -2.835 1.00 37.13 O HETATM 3035 O HOH I 149 39.863 25.848 13.307 1.00 38.45 O HETATM 3036 O HOH I 150 27.185 39.400 -2.791 1.00 34.64 O HETATM 3037 O HOH I 151 26.555 35.608 -0.641 1.00 37.66 O HETATM 3038 O HOH I 152 37.285 23.072 -2.752 1.00 35.62 O HETATM 3039 O HOH I 153 39.945 24.954 8.817 1.00 31.76 O HETATM 3040 O HOH I 154 44.976 24.472 -0.360 1.00 42.29 O HETATM 3041 O HOH I 155 39.094 40.947 -11.564 1.00 41.40 O HETATM 3042 O HOH I 156 27.760 43.806 -12.371 1.00 33.45 O HETATM 3043 O HOH I 157 41.532 40.162 16.849 1.00 35.30 O HETATM 3044 O HOH I 158 28.949 43.179 -17.561 1.00 38.41 O HETATM 3045 O HOH I 159 26.538 30.954 7.070 1.00 36.45 O HETATM 3046 O HOH I 160 40.438 28.551 -9.951 1.00 37.92 O HETATM 3047 O HOH I 161 38.493 48.594 -6.437 1.00 41.22 O HETATM 3048 O HOH I 162 47.325 28.940 -3.179 1.00 41.52 O HETATM 3049 O HOH I 163 43.754 51.830 -8.697 1.00 39.58 O HETATM 3050 O HOH I 164 23.730 28.074 7.051 1.00 40.78 O HETATM 3051 O HOH I 165 29.830 36.561 4.943 1.00 37.02 O HETATM 3052 O HOH I 166 36.970 26.386 15.146 1.00 34.94 O HETATM 3053 O HOH I 167 36.087 35.028 -13.302 1.00 42.22 O HETATM 3054 O HOH I 168 30.632 32.319 12.755 1.00 40.22 O HETATM 3055 O HOH I 169 43.174 49.428 -7.668 1.00 41.88 O HETATM 3056 O HOH I 170 28.270 39.302 1.556 1.00 44.21 O HETATM 3057 O HOH I 171 45.526 39.878 15.185 1.00 20.33 O HETATM 3058 O HOH I 172 40.759 30.003 13.786 1.00 48.19 O HETATM 3059 O HOH I 173 36.844 28.539 -11.802 1.00 37.69 O HETATM 3060 O HOH I 174 36.629 34.959 16.757 1.00 38.39 O HETATM 3061 O HOH I 175 35.643 21.177 -1.186 1.00 39.82 O HETATM 3062 O HOH I 176 36.195 24.914 -7.327 1.00 49.30 O HETATM 3063 O HOH I 177 29.334 45.814 -9.043 1.00 42.73 O HETATM 3064 O HOH I 178 36.461 26.723 11.851 1.00 21.05 O HETATM 3065 O HOH I 179 46.198 25.450 2.273 1.00 34.91 O HETATM 3066 O HOH I 180 48.047 30.281 4.066 1.00 50.15 O HETATM 3067 O HOH I 181 36.781 39.200 11.063 1.00 40.29 O HETATM 3068 O HOH I 182 40.966 42.699 13.323 0.50 25.17 O HETATM 3069 O HOH I 183 40.634 35.868 14.627 0.50 19.29 O HETATM 3070 O HOH I 184 41.965 27.809 9.283 1.00 40.61 O HETATM 3071 O HOH I 185 42.906 42.348 -3.054 0.50 21.71 O HETATM 3072 O HOH I 186 35.616 39.701 8.862 0.67 39.46 O HETATM 3073 O HOH I 187 44.682 28.338 10.193 1.00 45.30 O CONECT 13 2561 CONECT 298 2561 CONECT 299 2561 CONECT 531 2561 CONECT 550 2561 CONECT 561 2561 CONECT 573 2561 CONECT 1175 2562 CONECT 1188 2562 CONECT 1213 2562 CONECT 2561 13 298 299 531 CONECT 2561 550 561 573 CONECT 2562 1175 1188 1213 2658 CONECT 2562 2762 CONECT 2563 2564 2565 2566 CONECT 2564 2563 CONECT 2565 2563 CONECT 2566 2563 2567 CONECT 2567 2566 2568 2569 2573 CONECT 2568 2567 CONECT 2569 2567 2570 CONECT 2570 2569 2571 2572 CONECT 2571 2570 CONECT 2572 2570 CONECT 2573 2567 2574 2575 CONECT 2574 2573 CONECT 2575 2573 CONECT 2576 2577 2578 2579 CONECT 2577 2576 CONECT 2578 2576 CONECT 2579 2576 2580 CONECT 2580 2579 2581 2582 2586 CONECT 2581 2580 CONECT 2582 2580 2583 CONECT 2583 2582 2584 2585 CONECT 2584 2583 CONECT 2585 2583 CONECT 2586 2580 2587 2588 CONECT 2587 2586 CONECT 2588 2586 CONECT 2589 2590 CONECT 2590 2589 2592 CONECT 2591 2592 2593 CONECT 2592 2590 2591 CONECT 2593 2591 2595 CONECT 2594 2595 2596 2597 CONECT 2595 2593 2594 CONECT 2596 2594 CONECT 2597 2594 CONECT 2598 2599 CONECT 2599 2598 2600 CONECT 2600 2599 2601 CONECT 2601 2600 2603 CONECT 2602 2603 2604 CONECT 2603 2601 2602 CONECT 2604 2602 2606 CONECT 2605 2606 2607 CONECT 2606 2604 2605 CONECT 2607 2605 2609 CONECT 2608 2609 2610 CONECT 2609 2607 2608 CONECT 2610 2608 2612 CONECT 2611 2612 2613 CONECT 2612 2610 2611 CONECT 2613 2611 CONECT 2614 2616 CONECT 2615 2616 2617 CONECT 2616 2614 2615 CONECT 2617 2615 2619 CONECT 2618 2619 2620 CONECT 2619 2617 2618 CONECT 2620 2618 2622 CONECT 2621 2622 2623 CONECT 2622 2620 2621 CONECT 2623 2621 2625 CONECT 2624 2625 2626 CONECT 2625 2623 2624 CONECT 2626 2624 CONECT 2658 2562 CONECT 2762 2562 MASTER 437 0 7 11 15 0 16 6 3016 2 80 27 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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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
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RCSB PDB
PDBbind
64-mer
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PDBbind
64-mer
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Entry Information
PDB ID
1tm3
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
1.57(Å)
Affinity (Kd/Ki/IC50)
Ki=0.019nM
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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