Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-NOV-04 1Y3B TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 E60S MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUBTILISIN BPN'; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: SUBTILISIN NOVO; SUBTILISIN DFE; ALKALINE PROTEASE; COMPND 5 EC: 3.4.21.62; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; COMPND 10 CHAIN: I; COMPND 11 ENGINEERED: YES; COMPND 12 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390; SOURCE 4 GENE: APR; SOURCE 5 EXPRESSION_SYSTEM: BACILLUS SUBTILIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 1423; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BG2036; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSER25; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; SOURCE 12 ORGANISM_TAXID: 4513; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 14 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 17 EXPRESSION_SYSTEM_PLASMID: PCI2E60S KEYWDS SERINE PROTEASE; INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.S.RADISKY,C.J.LU,G.KWAN,D.E.KOSHLAND JR. REVDAT 3 11-OCT-17 1Y3B 1 REMARK REVDAT 2 24-FEB-09 1Y3B 1 VERSN REVDAT 1 17-MAY-05 1Y3B 0 JRNL AUTH E.S.RADISKY,C.J.LU,G.KWAN,D.E.KOSHLAND JR. JRNL TITL ROLE OF THE INTRAMOLECULAR HYDROGEN BOND NETWORK IN THE JRNL TITL 2 INHIBITORY POWER OF CHYMOTRYPSIN INHIBITOR 2 JRNL REF BIOCHEMISTRY V. 44 6823 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 15865427 JRNL DOI 10.1021/BI047301W REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 43575 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : INHERITED FROM 1TM3 REMARK 3 R VALUE (WORKING + TEST SET) : 0.152 REMARK 3 R VALUE (WORKING SET) : 0.151 REMARK 3 FREE R VALUE : 0.178 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2280 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3146 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2250 REMARK 3 BIN FREE R VALUE SET COUNT : 165 REMARK 3 BIN FREE R VALUE : 0.2300 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2500 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 80 REMARK 3 SOLVENT ATOMS : 504 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.01 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.33000 REMARK 3 B22 (A**2) : 0.33000 REMARK 3 B33 (A**2) : -0.49000 REMARK 3 B12 (A**2) : 0.16000 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): 0.088 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.088 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.054 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.762 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.953 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2689 ; 0.021 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3647 ; 1.773 ; 1.960 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 345 ; 5.795 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 409 ; 0.135 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2014 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1317 ; 0.219 ; 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): 364 ; 0.190 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 7 ; 0.078 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 37 ; 0.370 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 45 ; 0.192 ; 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 ; 0.919 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2772 ; 1.538 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 974 ; 2.678 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 874 ; 4.487 ; 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 1Y3B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-04. REMARK 100 THE DEPOSITION ID IS D_1000031062. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-APR-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 5.0.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 43575 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 81.650 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 11.40 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.12000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: 1TM3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, ISOPROPANOL, PEG 4000, REMARK 280 4% ACETONE, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 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 124.09000 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 62.04500 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 93.06750 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 31.02250 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 155.11250 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 124.09000 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 62.04500 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 31.02250 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 93.06750 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 155.11250 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: 2350 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13220 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5690 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25450 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -48.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 -0.866025 0.000000 94.25300 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 163.25098 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 31.02250 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 5276 O HOH E 5320 2.09 REMARK 500 O HOH E 5089 O HOH E 5272 2.09 REMARK 500 O HOH E 5368 O HOH I 137 2.12 REMARK 500 O6 CIT E 2001 O6 CIT E 2002 2.14 REMARK 500 OD1 ASP I 64 O HOH I 182 2.18 REMARK 500 O HOH E 5215 O HOH E 5307 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 C7 15P E 5001 C7 15P E 5001 9765 1.99 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. = 5.5 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 -150.80 -170.49 REMARK 500 SER E 63 -24.01 107.26 REMARK 500 ALA E 73 26.86 -154.43 REMARK 500 ASN E 77 -159.71 -162.43 REMARK 500 LEU E 257 -128.71 -117.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 15P E 5001 REMARK 610 15P E 5002 REMARK 610 15P E 5003 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E1001 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 163.9 REMARK 620 3 LEU E 75 O 77.5 88.9 REMARK 620 4 ASN E 77 OD1 86.7 85.6 93.6 REMARK 620 5 ILE E 79 O 100.8 91.9 174.1 80.6 REMARK 620 6 VAL E 81 O 92.8 95.9 91.1 175.1 94.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E1002 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY E 169 O REMARK 620 2 TYR E 171 O 91.2 REMARK 620 3 VAL E 174 O 108.4 89.7 REMARK 620 4 HOH E5136 O 104.1 85.4 147.2 REMARK 620 5 HOH E5035 O 108.2 160.6 83.6 90.4 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5003 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Y1K RELATED DB: PDB REMARK 900 RELATED ID: 1Y33 RELATED DB: PDB REMARK 900 RELATED ID: 1Y34 RELATED DB: PDB REMARK 900 RELATED ID: 1Y3C RELATED DB: PDB REMARK 900 RELATED ID: 1Y3D RELATED DB: PDB REMARK 900 RELATED ID: 1Y3F RELATED DB: PDB REMARK 900 RELATED ID: 1Y48 RELATED DB: PDB REMARK 900 RELATED ID: 1Y4A RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y3B E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y3B I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y3B HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y3B HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y3B HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y3B HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y3B HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y3B HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y3B MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y3B SER I 60 UNP Q40059 GLU 61 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 MET SER TYR ARG ILE ASP ARG VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1001 1 HET NA E1002 1 HET CIT E2001 13 HET CIT E2002 16 HET CIT E2003 13 HET 15P E5001 11 HET 15P E5002 16 HET 15P E5003 12 HETNAM CA CALCIUM ION HETNAM NA SODIUM ION HETNAM CIT CITRIC ACID HETNAM 15P POLYETHYLENE GLYCOL (N=34) HETSYN 15P PEG 1500 FORMUL 3 CA CA 2+ FORMUL 4 NA NA 1+ FORMUL 5 CIT 3(C6 H8 O7) FORMUL 8 15P 3(C69 H140 O35) FORMUL 11 HOH *504(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 GLN E 103 ASN E 117 1 15 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O SER E 89 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O ALA E 200 N GLY E 178 SHEET 1 B 3 SER E 101 GLY E 102 0 SHEET 2 B 3 ILE I 56 THR I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O LEU I 68 N ILE I 49 SHEET 3 D 3 ARG I 81 GLY I 83 -1 O GLY I 83 N ARG I 65 LINK OE1 GLN E 2 CA CA E1001 1555 1555 2.39 LINK OD1 ASP E 41 CA CA E1001 1555 1555 2.43 LINK O LEU E 75 CA CA E1001 1555 1555 2.39 LINK OD1 ASN E 77 CA CA E1001 1555 1555 2.34 LINK O ILE E 79 CA CA E1001 1555 1555 2.41 LINK O VAL E 81 CA CA E1001 1555 1555 2.49 LINK O GLY E 169 NA NA E1002 1555 1555 2.40 LINK O TYR E 171 NA NA E1002 1555 1555 2.30 LINK O VAL E 174 NA NA E1002 1555 1555 2.27 LINK NA NA E1002 O HOH E5136 1555 1555 2.42 LINK NA NA E1002 O HOH E5035 1555 1555 2.46 CISPEP 1 TYR E 167 PRO E 168 0 6.15 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 E5035 SITE 2 AC2 5 HOH E5136 SITE 1 AC3 13 ALA E 1 TYR E 21 LYS E 237 HIS E 238 SITE 2 AC3 13 ASN E 240 TRP E 241 HIS E 276 CIT E2002 SITE 3 AC3 13 HOH E5031 HOH E5085 HOH E5117 HOH E5313 SITE 4 AC3 13 HOH E5373 SITE 1 AC4 14 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 14 HOH E5063 HOH E5085 HOH E5217 HOH E5225 SITE 3 AC4 14 HOH E5284 HOH E5297 HOH E5313 HOH E5373 SITE 4 AC4 14 HOH E5374 HOH E5380 SITE 1 AC5 12 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 12 HOH E5038 HOH E5064 HOH E5088 HOH E5120 SITE 3 AC5 12 HOH E5184 HOH E5210 HOH E5269 HOH E5299 SITE 1 AC6 4 HIS E 17 THR E 22 ASN E 76 HOH E5310 SITE 1 AC7 7 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC7 7 HOH E5161 HOH E5330 HOH E5390 SITE 1 AC8 5 VAL E 44 ALA E 45 GLY E 47 PHE E 58 SITE 2 AC8 5 HOH E5314 CRYST1 94.253 94.253 186.135 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 0.010610 0.006126 0.000000 0.00000 SCALE2 0.000000 0.012251 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005372 0.00000 ATOM 1 N ALA E 1 49.234 51.241 36.713 1.00 12.09 N ATOM 2 CA ALA E 1 50.684 51.272 36.276 1.00 12.84 C ATOM 3 C ALA E 1 50.697 51.034 34.768 1.00 12.64 C ATOM 4 O ALA E 1 49.844 50.290 34.214 1.00 12.61 O ATOM 5 CB ALA E 1 51.482 50.155 37.000 1.00 12.90 C ATOM 6 N GLN E 2 51.654 51.662 34.109 1.00 10.75 N ATOM 7 CA GLN E 2 51.880 51.474 32.682 1.00 10.95 C ATOM 8 C GLN E 2 52.741 50.216 32.441 1.00 10.43 C ATOM 9 O GLN E 2 53.563 49.823 33.290 1.00 11.44 O ATOM 10 CB GLN E 2 52.573 52.740 32.177 1.00 9.57 C ATOM 11 CG GLN E 2 53.127 52.667 30.724 1.00 12.42 C ATOM 12 CD GLN E 2 53.623 54.029 30.347 1.00 11.12 C ATOM 13 OE1 GLN E 2 52.856 54.824 29.799 1.00 11.07 O ATOM 14 NE2 GLN E 2 54.898 54.346 30.713 1.00 8.55 N ATOM 15 N SER E 3 52.511 49.557 31.303 1.00 10.32 N ATOM 16 CA SER E 3 53.318 48.413 30.844 1.00 10.55 C ATOM 17 C SER E 3 54.055 48.761 29.565 1.00 9.66 C ATOM 18 O SER E 3 53.538 49.502 28.746 1.00 10.63 O ATOM 19 CB SER E 3 52.406 47.179 30.563 1.00 11.29 C ATOM 20 OG ASER E 3 51.331 47.487 29.744 0.33 12.01 O ATOM 21 OG BSER E 3 53.132 46.131 29.945 0.33 11.53 O ATOM 22 OG CSER E 3 51.614 46.899 31.684 0.33 9.91 O ATOM 23 N VAL E 4 55.248 48.212 29.398 1.00 9.47 N ATOM 24 CA VAL E 4 56.021 48.480 28.178 1.00 9.66 C ATOM 25 C VAL E 4 55.912 47.198 27.357 1.00 9.27 C ATOM 26 O VAL E 4 56.473 46.143 27.782 1.00 11.29 O ATOM 27 CB VAL E 4 57.489 48.774 28.483 1.00 9.67 C ATOM 28 CG1 VAL E 4 58.256 49.045 27.150 1.00 11.76 C ATOM 29 CG2 VAL E 4 57.588 50.021 29.447 1.00 11.61 C ATOM 30 N PRO E 5 55.165 47.218 26.249 1.00 8.64 N ATOM 31 CA PRO E 5 55.044 45.995 25.444 1.00 9.69 C ATOM 32 C PRO E 5 56.432 45.504 24.998 1.00 10.57 C ATOM 33 O PRO E 5 57.368 46.315 24.750 1.00 10.71 O ATOM 34 CB PRO E 5 54.218 46.451 24.229 1.00 11.35 C ATOM 35 CG PRO E 5 53.412 47.692 24.712 1.00 10.91 C ATOM 36 CD PRO E 5 54.426 48.348 25.637 1.00 8.93 C ATOM 37 N TYR E 6 56.576 44.187 24.853 1.00 9.46 N ATOM 38 CA TYR E 6 57.935 43.645 24.594 1.00 10.82 C ATOM 39 C TYR E 6 58.588 44.229 23.346 1.00 10.30 C ATOM 40 O TYR E 6 59.824 44.419 23.328 1.00 10.80 O ATOM 41 CB TYR E 6 57.922 42.106 24.499 1.00 11.43 C ATOM 42 CG TYR E 6 57.507 41.577 23.107 1.00 12.48 C ATOM 43 CD1 TYR E 6 58.468 41.376 22.097 1.00 14.27 C ATOM 44 CD2 TYR E 6 56.180 41.234 22.820 1.00 13.52 C ATOM 45 CE1 TYR E 6 58.097 40.873 20.821 1.00 13.91 C ATOM 46 CE2 TYR E 6 55.822 40.739 21.576 1.00 10.76 C ATOM 47 CZ TYR E 6 56.793 40.560 20.579 1.00 13.04 C ATOM 48 OH TYR E 6 56.442 40.063 19.328 1.00 16.32 O ATOM 49 N GLY E 7 57.781 44.520 22.323 1.00 10.29 N ATOM 50 CA GLY E 7 58.339 44.994 21.048 1.00 9.51 C ATOM 51 C GLY E 7 59.003 46.376 21.175 1.00 9.89 C ATOM 52 O GLY E 7 60.031 46.649 20.515 1.00 9.40 O ATOM 53 N VAL E 8 58.463 47.218 22.061 1.00 9.33 N ATOM 54 CA VAL E 8 59.041 48.556 22.298 1.00 8.86 C ATOM 55 C VAL E 8 60.467 48.365 22.900 1.00 9.13 C ATOM 56 O VAL E 8 61.439 49.039 22.485 1.00 8.27 O ATOM 57 CB VAL E 8 58.134 49.398 23.270 1.00 8.25 C ATOM 58 CG1 VAL E 8 58.837 50.751 23.707 1.00 7.63 C ATOM 59 CG2 VAL E 8 56.800 49.683 22.561 1.00 8.69 C ATOM 60 N SER E 9 60.588 47.442 23.856 1.00 7.74 N ATOM 61 CA SER E 9 61.908 47.094 24.412 1.00 10.12 C ATOM 62 C SER E 9 62.832 46.450 23.407 1.00 9.47 C ATOM 63 O SER E 9 64.038 46.732 23.384 1.00 10.13 O ATOM 64 CB SER E 9 61.746 46.180 25.669 1.00 10.30 C ATOM 65 OG SER E 9 60.964 46.913 26.618 1.00 13.50 O ATOM 66 N GLN E 10 62.271 45.555 22.593 1.00 9.63 N ATOM 67 CA GLN E 10 63.085 44.764 21.670 1.00 9.92 C ATOM 68 C GLN E 10 63.800 45.640 20.622 1.00 11.35 C ATOM 69 O GLN E 10 64.952 45.331 20.225 1.00 10.50 O ATOM 70 CB GLN E 10 62.184 43.758 20.944 1.00 9.90 C ATOM 71 CG GLN E 10 62.978 42.743 20.094 1.00 11.13 C ATOM 72 CD GLN E 10 62.093 41.537 19.753 1.00 16.62 C ATOM 73 OE1 GLN E 10 61.199 41.228 20.512 1.00 22.13 O ATOM 74 NE2 GLN E 10 62.315 40.902 18.589 1.00 13.29 N ATOM 75 N ILE E 11 63.155 46.748 20.203 1.00 10.30 N ATOM 76 CA ILE E 11 63.815 47.656 19.231 1.00 9.72 C ATOM 77 C ILE E 11 64.738 48.702 19.899 1.00 10.79 C ATOM 78 O ILE E 11 65.344 49.527 19.193 1.00 9.76 O ATOM 79 CB ILE E 11 62.783 48.352 18.282 1.00 10.67 C ATOM 80 CG1 ILE E 11 61.873 49.344 19.072 1.00 9.46 C ATOM 81 CG2 ILE E 11 62.000 47.248 17.494 1.00 8.97 C ATOM 82 CD1 ILE E 11 61.117 50.380 18.130 1.00 10.36 C ATOM 83 N LYS E 12 64.839 48.620 21.227 1.00 10.30 N ATOM 84 CA LYS E 12 65.700 49.462 22.091 1.00 11.27 C ATOM 85 C LYS E 12 65.192 50.910 22.163 1.00 9.90 C ATOM 86 O LYS E 12 65.972 51.872 22.367 1.00 10.43 O ATOM 87 CB LYS E 12 67.190 49.380 21.697 1.00 11.91 C ATOM 88 CG LYS E 12 67.716 47.907 21.617 1.00 15.94 C ATOM 89 CD LYS E 12 69.251 47.828 21.662 1.00 22.09 C ATOM 90 CE LYS E 12 69.747 46.390 21.428 1.00 23.22 C ATOM 91 NZ LYS E 12 69.216 45.499 22.519 1.00 28.55 N ATOM 92 N ALA E 13 63.894 51.097 21.999 1.00 10.02 N ATOM 93 CA ALA E 13 63.326 52.435 22.215 1.00 10.03 C ATOM 94 C ALA E 13 63.589 53.006 23.611 1.00 10.44 C ATOM 95 O ALA E 13 63.789 54.221 23.728 1.00 11.18 O ATOM 96 CB ALA E 13 61.790 52.497 21.887 1.00 8.87 C ATOM 97 N PRO E 14 63.541 52.206 24.691 1.00 10.47 N ATOM 98 CA PRO E 14 63.842 52.780 26.029 1.00 10.93 C ATOM 99 C PRO E 14 65.215 53.466 26.129 1.00 10.89 C ATOM 100 O PRO E 14 65.342 54.418 26.946 1.00 10.90 O ATOM 101 CB PRO E 14 63.766 51.550 26.956 1.00 11.46 C ATOM 102 CG PRO E 14 62.595 50.702 26.221 1.00 10.88 C ATOM 103 CD PRO E 14 63.121 50.781 24.781 1.00 9.33 C ATOM 104 N ALA E 15 66.219 53.018 25.360 1.00 11.44 N ATOM 105 CA ALA E 15 67.502 53.725 25.328 1.00 11.16 C ATOM 106 C ALA E 15 67.367 55.168 24.891 1.00 11.34 C ATOM 107 O ALA E 15 68.005 56.061 25.471 1.00 12.57 O ATOM 108 CB ALA E 15 68.512 53.033 24.403 1.00 10.19 C ATOM 109 N LEU E 16 66.533 55.414 23.903 1.00 9.41 N ATOM 110 CA LEU E 16 66.310 56.788 23.435 1.00 9.55 C ATOM 111 C LEU E 16 65.524 57.552 24.485 1.00 10.10 C ATOM 112 O LEU E 16 65.834 58.712 24.766 1.00 10.60 O ATOM 113 CB LEU E 16 65.491 56.849 22.122 1.00 9.70 C ATOM 114 CG LEU E 16 66.259 56.830 20.780 1.00 10.78 C ATOM 115 CD1 LEU E 16 66.845 58.244 20.516 1.00 14.24 C ATOM 116 CD2 LEU E 16 67.371 55.786 20.841 1.00 13.96 C ATOM 117 N HIS E 17 64.480 56.922 25.059 1.00 9.89 N ATOM 118 CA HIS E 17 63.731 57.579 26.132 1.00 9.58 C ATOM 119 C HIS E 17 64.652 58.024 27.269 1.00 10.28 C ATOM 120 O HIS E 17 64.474 59.154 27.781 1.00 11.36 O ATOM 121 CB HIS E 17 62.637 56.668 26.713 1.00 10.01 C ATOM 122 CG HIS E 17 61.641 56.240 25.673 1.00 11.80 C ATOM 123 ND1 HIS E 17 60.729 55.240 25.908 1.00 12.08 N ATOM 124 CD2 HIS E 17 61.450 56.646 24.393 1.00 8.80 C ATOM 125 CE1 HIS E 17 60.019 55.031 24.808 1.00 15.11 C ATOM 126 NE2 HIS E 17 60.429 55.870 23.870 1.00 9.20 N ATOM 127 N SER E 18 65.612 57.172 27.649 1.00 10.11 N ATOM 128 CA SER E 18 66.494 57.531 28.781 1.00 10.27 C ATOM 129 C SER E 18 67.463 58.648 28.421 1.00 9.92 C ATOM 130 O SER E 18 67.940 59.323 29.327 1.00 9.79 O ATOM 131 CB SER E 18 67.270 56.334 29.343 1.00 10.71 C ATOM 132 OG ASER E 18 66.425 55.291 29.707 0.50 10.60 O ATOM 133 OG BSER E 18 68.199 55.860 28.419 0.50 10.75 O ATOM 134 N GLN E 19 67.791 58.793 27.132 1.00 10.82 N ATOM 135 CA GLN E 19 68.600 59.956 26.662 1.00 10.01 C ATOM 136 C GLN E 19 67.788 61.247 26.648 1.00 11.28 C ATOM 137 O GLN E 19 68.371 62.331 26.533 1.00 11.11 O ATOM 138 CB GLN E 19 69.110 59.696 25.248 1.00 10.17 C ATOM 139 CG GLN E 19 70.128 58.535 25.118 1.00 11.35 C ATOM 140 CD GLN E 19 70.437 58.243 23.607 1.00 16.57 C ATOM 141 OE1 GLN E 19 70.502 59.155 22.835 1.00 19.84 O ATOM 142 NE2 GLN E 19 70.537 56.967 23.213 1.00 17.70 N ATOM 143 N GLY E 20 66.455 61.129 26.737 1.00 11.56 N ATOM 144 CA GLY E 20 65.557 62.279 26.800 1.00 11.11 C ATOM 145 C GLY E 20 64.747 62.517 25.529 1.00 12.32 C ATOM 146 O GLY E 20 64.127 63.595 25.353 1.00 12.35 O ATOM 147 N TYR E 21 64.760 61.533 24.617 1.00 10.53 N ATOM 148 CA TYR E 21 64.153 61.703 23.279 1.00 10.18 C ATOM 149 C TYR E 21 62.983 60.757 23.103 1.00 10.71 C ATOM 150 O TYR E 21 63.102 59.542 23.332 1.00 11.49 O ATOM 151 CB TYR E 21 65.192 61.486 22.158 1.00 10.45 C ATOM 152 CG TYR E 21 66.252 62.540 22.259 1.00 10.56 C ATOM 153 CD1 TYR E 21 65.926 63.876 21.979 1.00 10.40 C ATOM 154 CD2 TYR E 21 67.546 62.228 22.695 1.00 11.33 C ATOM 155 CE1 TYR E 21 66.894 64.890 22.095 1.00 14.77 C ATOM 156 CE2 TYR E 21 68.523 63.273 22.836 1.00 12.88 C ATOM 157 CZ TYR E 21 68.154 64.571 22.535 1.00 13.47 C ATOM 158 OH TYR E 21 69.073 65.600 22.633 1.00 14.74 O ATOM 159 N THR E 22 61.821 61.354 22.789 1.00 9.32 N ATOM 160 CA THR E 22 60.550 60.631 22.782 1.00 9.34 C ATOM 161 C THR E 22 59.678 61.016 21.560 1.00 9.54 C ATOM 162 O THR E 22 58.483 60.689 21.542 1.00 9.82 O ATOM 163 CB THR E 22 59.703 60.981 24.046 1.00 9.70 C ATOM 164 OG1 THR E 22 59.612 62.417 24.204 1.00 12.06 O ATOM 165 CG2 THR E 22 60.341 60.439 25.354 1.00 11.76 C ATOM 166 N GLY E 23 60.258 61.656 20.551 1.00 8.89 N ATOM 167 CA GLY E 23 59.507 62.021 19.357 1.00 9.95 C ATOM 168 C GLY E 23 58.821 63.394 19.423 1.00 11.23 C ATOM 169 O GLY E 23 57.991 63.719 18.570 1.00 10.63 O ATOM 170 N SER E 24 59.200 64.227 20.394 1.00 11.30 N ATOM 171 CA SER E 24 58.561 65.547 20.532 1.00 12.72 C ATOM 172 C SER E 24 58.684 66.376 19.259 1.00 12.93 C ATOM 173 O SER E 24 59.752 66.446 18.639 1.00 12.55 O ATOM 174 CB SER E 24 59.208 66.361 21.660 1.00 13.18 C ATOM 175 OG ASER E 24 59.143 65.690 22.893 0.67 12.33 O ATOM 176 OG BSER E 24 58.342 67.424 22.057 0.33 11.32 O ATOM 177 N ASN E 25 57.581 66.991 18.884 1.00 13.95 N ATOM 178 CA ASN E 25 57.507 67.914 17.738 1.00 16.11 C ATOM 179 C ASN E 25 57.640 67.200 16.391 1.00 15.55 C ATOM 180 O ASN E 25 57.776 67.858 15.369 1.00 18.14 O ATOM 181 CB ASN E 25 58.561 69.033 17.809 1.00 17.83 C ATOM 182 CG ASN E 25 58.397 69.866 19.030 1.00 25.97 C ATOM 183 OD1 ASN E 25 57.276 70.227 19.382 1.00 32.34 O ATOM 184 ND2 ASN E 25 59.506 70.145 19.723 1.00 32.25 N ATOM 185 N VAL E 26 57.608 65.869 16.378 1.00 12.16 N ATOM 186 CA VAL E 26 57.673 65.149 15.105 1.00 10.95 C ATOM 187 C VAL E 26 56.225 64.764 14.721 1.00 11.60 C ATOM 188 O VAL E 26 55.491 64.228 15.537 1.00 11.18 O ATOM 189 CB VAL E 26 58.532 63.883 15.222 1.00 11.96 C ATOM 190 CG1 VAL E 26 58.597 63.153 13.817 1.00 11.51 C ATOM 191 CG2 VAL E 26 59.958 64.264 15.741 1.00 11.72 C ATOM 192 N LYS E 27 55.838 65.070 13.491 1.00 11.51 N ATOM 193 CA LYS E 27 54.454 64.855 13.031 1.00 11.63 C ATOM 194 C LYS E 27 54.413 63.520 12.300 1.00 11.35 C ATOM 195 O LYS E 27 55.071 63.367 11.286 1.00 12.05 O ATOM 196 CB LYS E 27 54.074 65.983 12.063 1.00 11.25 C ATOM 197 CG LYS E 27 54.058 67.337 12.764 1.00 14.29 C ATOM 198 CD LYS E 27 53.445 68.454 11.802 1.00 17.97 C ATOM 199 CE LYS E 27 53.266 69.767 12.569 1.00 25.46 C ATOM 200 NZ LYS E 27 54.626 70.415 12.573 1.00 30.95 N ATOM 201 N VAL E 28 53.583 62.601 12.812 1.00 10.31 N ATOM 202 CA VAL E 28 53.435 61.268 12.235 1.00 9.73 C ATOM 203 C VAL E 28 51.973 61.063 11.817 1.00 10.76 C ATOM 204 O VAL E 28 51.054 61.122 12.649 1.00 11.73 O ATOM 205 CB VAL E 28 53.794 60.180 13.257 1.00 9.51 C ATOM 206 CG1 VAL E 28 53.726 58.796 12.567 1.00 10.69 C ATOM 207 CG2 VAL E 28 55.219 60.438 13.838 1.00 9.17 C ATOM 208 N ALA E 29 51.785 60.799 10.530 1.00 11.60 N ATOM 209 CA ALA E 29 50.467 60.433 10.009 1.00 12.28 C ATOM 210 C ALA E 29 50.275 58.937 10.027 1.00 11.95 C ATOM 211 O ALA E 29 51.024 58.225 9.375 1.00 13.35 O ATOM 212 CB ALA E 29 50.281 60.951 8.570 1.00 11.91 C ATOM 213 N VAL E 30 49.242 58.483 10.727 1.00 12.15 N ATOM 214 CA VAL E 30 48.827 57.087 10.673 1.00 11.62 C ATOM 215 C VAL E 30 47.742 57.011 9.603 1.00 11.65 C ATOM 216 O VAL E 30 46.620 57.449 9.813 1.00 12.54 O ATOM 217 CB VAL E 30 48.346 56.595 12.050 1.00 12.00 C ATOM 218 CG1 VAL E 30 47.856 55.145 11.965 1.00 10.88 C ATOM 219 CG2 VAL E 30 49.582 56.673 13.046 1.00 11.95 C ATOM 220 N ILE E 31 48.106 56.466 8.447 1.00 11.86 N ATOM 221 CA ILE E 31 47.178 56.465 7.293 1.00 12.01 C ATOM 222 C ILE E 31 46.517 55.095 7.360 1.00 11.45 C ATOM 223 O ILE E 31 47.173 54.075 7.143 1.00 11.52 O ATOM 224 CB ILE E 31 47.946 56.694 5.978 1.00 12.72 C ATOM 225 CG1 ILE E 31 48.646 58.085 5.997 1.00 12.66 C ATOM 226 CG2 ILE E 31 46.974 56.499 4.739 1.00 11.77 C ATOM 227 CD1 ILE E 31 49.200 58.538 4.582 1.00 12.58 C ATOM 228 N ASP E 32 45.241 55.078 7.756 1.00 11.69 N ATOM 229 CA ASP E 32 44.688 53.837 8.277 1.00 12.62 C ATOM 230 C ASP E 32 43.160 53.993 8.440 1.00 13.62 C ATOM 231 O ASP E 32 42.514 54.798 7.729 1.00 13.48 O ATOM 232 CB ASP E 32 45.392 53.507 9.625 1.00 12.48 C ATOM 233 CG ASP E 32 45.505 52.019 9.895 1.00 12.07 C ATOM 234 OD1 ASP E 32 44.416 51.384 10.050 1.00 12.05 O ATOM 235 OD2 ASP E 32 46.625 51.420 9.987 1.00 12.56 O ATOM 236 N SER E 33 42.593 53.273 9.398 1.00 13.55 N ATOM 237 CA SER E 33 41.146 53.249 9.588 1.00 14.56 C ATOM 238 C SER E 33 40.579 54.337 10.516 1.00 15.73 C ATOM 239 O SER E 33 39.403 54.265 10.919 1.00 15.79 O ATOM 240 CB SER E 33 40.758 51.819 10.059 1.00 15.15 C ATOM 241 OG SER E 33 41.028 51.619 11.466 1.00 14.25 O ATOM 242 N GLY E 34 41.379 55.362 10.842 1.00 14.99 N ATOM 243 CA GLY E 34 40.980 56.344 11.847 1.00 14.34 C ATOM 244 C GLY E 34 41.732 56.106 13.171 1.00 15.39 C ATOM 245 O GLY E 34 42.476 55.130 13.283 1.00 14.55 O ATOM 246 N ILE E 35 41.574 57.000 14.140 1.00 13.83 N ATOM 247 CA ILE E 35 42.165 56.763 15.469 1.00 13.75 C ATOM 248 C ILE E 35 41.124 57.182 16.466 1.00 13.56 C ATOM 249 O ILE E 35 40.605 58.296 16.357 1.00 14.41 O ATOM 250 CB ILE E 35 43.466 57.616 15.714 1.00 12.76 C ATOM 251 CG1 ILE E 35 44.564 57.325 14.647 1.00 12.90 C ATOM 252 CG2 ILE E 35 44.001 57.292 17.147 1.00 13.35 C ATOM 253 CD1 ILE E 35 45.832 58.173 14.801 1.00 13.16 C ATOM 254 N ASP E 36 40.834 56.332 17.452 1.00 14.66 N ATOM 255 CA ASP E 36 39.914 56.729 18.516 1.00 14.72 C ATOM 256 C ASP E 36 40.556 57.785 19.439 1.00 16.02 C ATOM 257 O ASP E 36 41.274 57.466 20.376 1.00 15.66 O ATOM 258 CB ASP E 36 39.449 55.507 19.303 1.00 14.98 C ATOM 259 CG ASP E 36 38.465 55.874 20.439 1.00 18.02 C ATOM 260 OD1 ASP E 36 38.036 57.056 20.574 1.00 18.42 O ATOM 261 OD2 ASP E 36 38.106 55.029 21.258 1.00 22.97 O ATOM 262 N SER E 37 40.256 59.051 19.184 1.00 17.56 N ATOM 263 CA SER E 37 40.860 60.148 19.951 1.00 19.27 C ATOM 264 C SER E 37 40.357 60.265 21.387 1.00 19.56 C ATOM 265 O SER E 37 40.968 60.999 22.173 1.00 22.37 O ATOM 266 CB SER E 37 40.651 61.494 19.235 1.00 19.72 C ATOM 267 OG SER E 37 39.267 61.826 19.234 1.00 22.32 O ATOM 268 N SER E 38 39.293 59.547 21.751 1.00 17.79 N ATOM 269 CA SER E 38 38.822 59.543 23.153 1.00 17.70 C ATOM 270 C SER E 38 39.630 58.594 24.050 1.00 16.32 C ATOM 271 O SER E 38 39.412 58.567 25.275 1.00 15.74 O ATOM 272 CB SER E 38 37.346 59.134 23.255 1.00 16.67 C ATOM 273 OG ASER E 38 37.196 57.766 22.898 0.50 18.23 O ATOM 274 OG BSER E 38 36.498 60.164 22.794 0.50 18.88 O ATOM 275 N HIS E 39 40.518 57.780 23.454 1.00 13.88 N ATOM 276 CA HIS E 39 41.289 56.841 24.271 1.00 12.99 C ATOM 277 C HIS E 39 42.197 57.658 25.236 1.00 12.11 C ATOM 278 O HIS E 39 42.927 58.527 24.766 1.00 13.21 O ATOM 279 CB HIS E 39 42.140 55.951 23.384 1.00 11.59 C ATOM 280 CG HIS E 39 42.570 54.694 24.066 1.00 12.60 C ATOM 281 ND1 HIS E 39 43.411 54.703 25.159 1.00 11.75 N ATOM 282 CD2 HIS E 39 42.233 53.397 23.845 1.00 11.14 C ATOM 283 CE1 HIS E 39 43.577 53.458 25.585 1.00 9.98 C ATOM 284 NE2 HIS E 39 42.882 52.648 24.794 1.00 12.53 N ATOM 285 N PRO E 40 42.179 57.373 26.536 1.00 11.93 N ATOM 286 CA PRO E 40 43.000 58.141 27.479 1.00 12.13 C ATOM 287 C PRO E 40 44.510 57.895 27.332 1.00 12.40 C ATOM 288 O PRO E 40 45.310 58.668 27.848 1.00 11.99 O ATOM 289 CB PRO E 40 42.515 57.682 28.859 1.00 13.49 C ATOM 290 CG PRO E 40 41.994 56.318 28.633 1.00 12.84 C ATOM 291 CD PRO E 40 41.307 56.383 27.231 1.00 12.49 C ATOM 292 N ASP E 41 44.890 56.868 26.600 1.00 10.67 N ATOM 293 CA ASP E 41 46.335 56.605 26.373 1.00 12.37 C ATOM 294 C ASP E 41 46.825 57.087 25.021 1.00 11.41 C ATOM 295 O ASP E 41 47.905 56.676 24.598 1.00 10.78 O ATOM 296 CB ASP E 41 46.616 55.112 26.488 1.00 12.37 C ATOM 297 CG ASP E 41 48.052 54.803 27.014 1.00 13.66 C ATOM 298 OD1 ASP E 41 48.652 55.634 27.708 1.00 12.25 O ATOM 299 OD2 ASP E 41 48.612 53.732 26.753 1.00 14.95 O ATOM 300 N LEU E 42 46.035 57.930 24.340 1.00 11.21 N ATOM 301 CA LEU E 42 46.466 58.517 23.063 1.00 12.31 C ATOM 302 C LEU E 42 46.183 59.993 23.083 1.00 12.82 C ATOM 303 O LEU E 42 45.210 60.465 23.713 1.00 13.80 O ATOM 304 CB LEU E 42 45.698 57.891 21.843 1.00 10.57 C ATOM 305 CG LEU E 42 45.914 56.395 21.595 1.00 10.64 C ATOM 306 CD1 LEU E 42 45.003 55.926 20.463 1.00 9.65 C ATOM 307 CD2 LEU E 42 47.374 56.079 21.221 1.00 9.64 C ATOM 308 N LYS E 43 47.038 60.743 22.419 1.00 12.72 N ATOM 309 CA LYS E 43 46.710 62.148 22.157 1.00 14.29 C ATOM 310 C LYS E 43 46.734 62.397 20.657 1.00 14.33 C ATOM 311 O LYS E 43 47.796 62.330 20.030 1.00 15.70 O ATOM 312 CB LYS E 43 47.716 63.049 22.874 1.00 14.67 C ATOM 313 CG LYS E 43 47.389 64.562 22.636 1.00 20.28 C ATOM 314 CD LYS E 43 48.501 65.431 23.241 1.00 29.41 C ATOM 315 CE LYS E 43 47.991 66.809 23.680 1.00 36.36 C ATOM 316 NZ LYS E 43 49.166 67.665 24.148 1.00 39.51 N ATOM 317 N VAL E 44 45.598 62.680 20.038 1.00 13.56 N ATOM 318 CA VAL E 44 45.600 62.918 18.593 1.00 14.20 C ATOM 319 C VAL E 44 45.648 64.417 18.279 1.00 15.35 C ATOM 320 O VAL E 44 44.799 65.171 18.772 1.00 13.62 O ATOM 321 CB VAL E 44 44.341 62.276 17.907 1.00 14.74 C ATOM 322 CG1 VAL E 44 44.334 62.567 16.392 1.00 15.99 C ATOM 323 CG2 VAL E 44 44.294 60.784 18.180 1.00 15.97 C ATOM 324 N ALA E 45 46.626 64.840 17.484 1.00 14.98 N ATOM 325 CA ALA E 45 46.893 66.258 17.232 1.00 16.17 C ATOM 326 C ALA E 45 46.031 66.823 16.083 1.00 17.41 C ATOM 327 O ALA E 45 45.815 68.037 16.005 1.00 18.61 O ATOM 328 CB ALA E 45 48.377 66.453 16.858 1.00 15.68 C ATOM 329 N GLY E 46 45.592 65.975 15.155 1.00 17.09 N ATOM 330 CA GLY E 46 44.817 66.464 14.013 1.00 17.25 C ATOM 331 C GLY E 46 44.552 65.300 13.072 1.00 16.75 C ATOM 332 O GLY E 46 44.808 64.135 13.417 1.00 16.15 O ATOM 333 N GLY E 47 44.026 65.595 11.888 1.00 16.51 N ATOM 334 CA GLY E 47 43.798 64.541 10.908 1.00 16.23 C ATOM 335 C GLY E 47 42.697 64.931 9.927 1.00 17.31 C ATOM 336 O GLY E 47 42.242 66.070 9.935 1.00 17.00 O ATOM 337 N ALA E 48 42.292 63.988 9.095 1.00 17.05 N ATOM 338 CA ALA E 48 41.276 64.249 8.054 1.00 17.31 C ATOM 339 C ALA E 48 40.817 62.899 7.559 1.00 18.16 C ATOM 340 O ALA E 48 41.597 61.938 7.582 1.00 16.39 O ATOM 341 CB ALA E 48 41.920 65.051 6.902 1.00 17.02 C ATOM 342 N SER E 49 39.563 62.807 7.080 1.00 18.07 N ATOM 343 CA SER E 49 39.082 61.573 6.494 1.00 17.63 C ATOM 344 C SER E 49 38.912 61.682 4.978 1.00 18.51 C ATOM 345 O SER E 49 38.329 62.654 4.493 1.00 18.48 O ATOM 346 CB SER E 49 37.731 61.151 7.107 1.00 18.50 C ATOM 347 OG SER E 49 37.272 60.004 6.384 1.00 19.06 O ATOM 348 N MET E 50 39.430 60.699 4.254 1.00 17.64 N ATOM 349 CA MET E 50 39.231 60.536 2.802 1.00 18.11 C ATOM 350 C MET E 50 38.182 59.445 2.464 1.00 19.48 C ATOM 351 O MET E 50 38.077 59.022 1.299 1.00 20.54 O ATOM 352 CB MET E 50 40.542 60.103 2.167 1.00 17.11 C ATOM 353 CG MET E 50 41.729 60.926 2.635 1.00 17.96 C ATOM 354 SD MET E 50 41.530 62.669 2.244 1.00 23.28 S ATOM 355 CE MET E 50 42.374 63.393 3.664 1.00 24.80 C ATOM 356 N VAL E 51 37.498 58.939 3.481 1.00 18.99 N ATOM 357 CA VAL E 51 36.481 57.897 3.273 1.00 21.63 C ATOM 358 C VAL E 51 35.129 58.623 3.113 1.00 22.45 C ATOM 359 O VAL E 51 34.634 59.226 4.065 1.00 22.53 O ATOM 360 CB VAL E 51 36.461 56.858 4.438 1.00 21.13 C ATOM 361 CG1 VAL E 51 35.295 55.815 4.247 1.00 21.54 C ATOM 362 CG2 VAL E 51 37.831 56.131 4.505 1.00 19.41 C ATOM 363 N PRO E 52 34.555 58.592 1.906 1.00 24.37 N ATOM 364 CA PRO E 52 33.333 59.375 1.624 1.00 25.42 C ATOM 365 C PRO E 52 32.157 59.118 2.593 1.00 26.15 C ATOM 366 O PRO E 52 31.483 60.074 2.953 1.00 27.04 O ATOM 367 CB PRO E 52 32.982 58.980 0.173 1.00 26.52 C ATOM 368 CG PRO E 52 34.294 58.480 -0.422 1.00 25.67 C ATOM 369 CD PRO E 52 35.028 57.838 0.729 1.00 23.89 C ATOM 370 N SER E 53 31.916 57.880 3.016 1.00 27.50 N ATOM 371 CA SER E 53 30.804 57.599 3.924 1.00 29.68 C ATOM 372 C SER E 53 31.148 57.588 5.431 1.00 30.00 C ATOM 373 O SER E 53 30.262 57.345 6.280 1.00 30.05 O ATOM 374 CB SER E 53 30.113 56.286 3.550 1.00 30.81 C ATOM 375 OG SER E 53 31.009 55.196 3.695 1.00 34.72 O ATOM 376 N GLU E 54 32.414 57.848 5.778 1.00 28.67 N ATOM 377 CA GLU E 54 32.821 57.891 7.186 1.00 28.24 C ATOM 378 C GLU E 54 33.695 59.122 7.367 1.00 27.80 C ATOM 379 O GLU E 54 34.918 59.036 7.213 1.00 28.45 O ATOM 380 CB GLU E 54 33.618 56.645 7.567 1.00 28.53 C ATOM 381 CG GLU E 54 32.862 55.338 7.522 1.00 30.57 C ATOM 382 CD GLU E 54 33.688 54.198 8.091 1.00 33.92 C ATOM 383 OE1 GLU E 54 34.568 54.463 8.955 1.00 34.79 O ATOM 384 OE2 GLU E 54 33.461 53.045 7.669 1.00 35.17 O ATOM 385 N THR E 55 33.080 60.256 7.688 1.00 26.04 N ATOM 386 CA THR E 55 33.748 61.538 7.559 1.00 25.89 C ATOM 387 C THR E 55 34.546 61.970 8.788 1.00 24.15 C ATOM 388 O THR E 55 35.207 63.008 8.745 1.00 24.10 O ATOM 389 CB THR E 55 32.734 62.678 7.218 1.00 26.85 C ATOM 390 OG1 THR E 55 31.775 62.801 8.277 1.00 29.08 O ATOM 391 CG2 THR E 55 31.915 62.334 5.954 1.00 28.75 C ATOM 392 N ASN E 56 34.452 61.210 9.885 1.00 22.76 N ATOM 393 CA ASN E 56 35.132 61.598 11.119 1.00 21.92 C ATOM 394 C ASN E 56 36.413 60.756 11.265 1.00 19.59 C ATOM 395 O ASN E 56 36.306 59.562 11.479 1.00 18.66 O ATOM 396 CB ASN E 56 34.221 61.332 12.324 1.00 22.39 C ATOM 397 CG ASN E 56 34.821 61.866 13.647 1.00 24.85 C ATOM 398 OD1 ASN E 56 35.960 62.348 13.691 1.00 22.05 O ATOM 399 ND2 ASN E 56 34.043 61.792 14.712 1.00 26.25 N ATOM 400 N PRO E 57 37.604 61.346 11.137 1.00 18.89 N ATOM 401 CA PRO E 57 38.848 60.533 11.255 1.00 18.53 C ATOM 402 C PRO E 57 39.148 60.106 12.717 1.00 17.46 C ATOM 403 O PRO E 57 40.033 59.259 12.937 1.00 16.24 O ATOM 404 CB PRO E 57 39.946 61.492 10.781 1.00 17.18 C ATOM 405 CG PRO E 57 39.390 62.888 11.143 1.00 18.72 C ATOM 406 CD PRO E 57 37.890 62.768 10.903 1.00 18.06 C ATOM 407 N PHE E 58 38.423 60.691 13.678 1.00 18.36 N ATOM 408 CA PHE E 58 38.664 60.482 15.116 1.00 18.69 C ATOM 409 C PHE E 58 37.740 59.440 15.697 1.00 19.65 C ATOM 410 O PHE E 58 37.699 59.232 16.905 1.00 19.77 O ATOM 411 CB PHE E 58 38.542 61.809 15.836 1.00 17.92 C ATOM 412 CG PHE E 58 39.362 62.895 15.188 1.00 20.42 C ATOM 413 CD1 PHE E 58 40.739 62.704 14.962 1.00 17.78 C ATOM 414 CD2 PHE E 58 38.766 64.094 14.757 1.00 19.58 C ATOM 415 CE1 PHE E 58 41.511 63.696 14.357 1.00 20.53 C ATOM 416 CE2 PHE E 58 39.529 65.090 14.136 1.00 22.28 C ATOM 417 CZ PHE E 58 40.905 64.903 13.936 1.00 24.15 C ATOM 418 N GLN E 59 37.006 58.789 14.795 1.00 20.19 N ATOM 419 CA GLN E 59 36.188 57.623 15.100 1.00 22.55 C ATOM 420 C GLN E 59 36.767 56.469 14.318 1.00 22.60 C ATOM 421 O GLN E 59 36.776 56.495 13.068 1.00 23.47 O ATOM 422 CB GLN E 59 34.732 57.868 14.654 1.00 23.81 C ATOM 423 CG GLN E 59 33.800 56.643 14.810 1.00 27.34 C ATOM 424 CD AGLN E 59 32.351 57.024 14.692 0.67 32.68 C ATOM 425 CD BGLN E 59 33.496 56.302 16.270 0.33 26.50 C ATOM 426 OE1AGLN E 59 31.941 58.083 15.187 0.67 34.60 O ATOM 427 OE1BGLN E 59 33.577 57.163 17.143 0.33 27.15 O ATOM 428 NE2AGLN E 59 31.561 56.170 14.040 0.67 34.16 N ATOM 429 NE2BGLN E 59 33.156 55.042 16.532 0.33 27.39 N ATOM 430 N ASP E 60 37.210 55.437 15.030 1.00 20.04 N ATOM 431 CA ASP E 60 37.760 54.275 14.380 1.00 20.50 C ATOM 432 C ASP E 60 36.780 53.102 14.482 1.00 20.96 C ATOM 433 O ASP E 60 36.686 52.445 15.518 1.00 20.07 O ATOM 434 CB ASP E 60 39.134 53.932 15.012 1.00 19.74 C ATOM 435 CG ASP E 60 39.719 52.639 14.492 1.00 19.40 C ATOM 436 OD1 ASP E 60 39.225 52.046 13.483 1.00 19.62 O ATOM 437 OD2 ASP E 60 40.735 52.133 15.027 1.00 15.84 O ATOM 438 N ASN E 61 36.065 52.835 13.387 1.00 21.07 N ATOM 439 CA ASN E 61 35.041 51.789 13.344 1.00 22.79 C ATOM 440 C ASN E 61 35.568 50.390 13.063 1.00 22.51 C ATOM 441 O ASN E 61 34.817 49.431 13.043 1.00 23.07 O ATOM 442 CB ASN E 61 33.992 52.179 12.283 1.00 23.87 C ATOM 443 CG ASN E 61 33.265 53.434 12.666 1.00 24.64 C ATOM 444 OD1 ASN E 61 32.760 53.544 13.779 1.00 29.90 O ATOM 445 ND2 ASN E 61 33.229 54.398 11.761 1.00 30.00 N ATOM 446 N ASN E 62 36.860 50.269 12.818 1.00 20.19 N ATOM 447 CA ASN E 62 37.456 48.974 12.560 1.00 19.70 C ATOM 448 C ASN E 62 38.255 48.476 13.791 1.00 18.97 C ATOM 449 O ASN E 62 38.139 47.314 14.182 1.00 19.44 O ATOM 450 CB ASN E 62 38.355 49.089 11.321 1.00 19.43 C ATOM 451 CG ASN E 62 39.066 47.845 11.029 1.00 22.92 C ATOM 452 OD1 ASN E 62 40.062 47.551 11.673 1.00 22.63 O ATOM 453 ND2 ASN E 62 38.548 47.055 10.089 1.00 21.24 N ATOM 454 N SER E 63 39.033 49.386 14.391 1.00 17.53 N ATOM 455 CA SER E 63 39.931 49.161 15.570 1.00 17.29 C ATOM 456 C SER E 63 41.421 49.160 15.172 1.00 16.30 C ATOM 457 O SER E 63 42.323 49.411 16.024 1.00 17.18 O ATOM 458 CB SER E 63 39.604 47.862 16.343 1.00 17.94 C ATOM 459 OG SER E 63 40.290 46.755 15.772 1.00 20.91 O ATOM 460 N HIS E 64 41.677 48.856 13.906 1.00 13.42 N ATOM 461 CA HIS E 64 43.029 48.613 13.432 1.00 11.92 C ATOM 462 C HIS E 64 43.889 49.894 13.561 1.00 12.28 C ATOM 463 O HIS E 64 45.010 49.823 14.115 1.00 12.62 O ATOM 464 CB HIS E 64 42.979 48.140 11.989 1.00 12.46 C ATOM 465 CG HIS E 64 44.324 47.891 11.367 1.00 11.53 C ATOM 466 ND1 HIS E 64 45.004 48.856 10.660 1.00 11.65 N ATOM 467 CD2 HIS E 64 45.058 46.755 11.261 1.00 12.82 C ATOM 468 CE1 HIS E 64 46.106 48.330 10.158 1.00 9.85 C ATOM 469 NE2 HIS E 64 46.181 47.064 10.537 1.00 11.92 N ATOM 470 N GLY E 65 43.385 51.023 13.049 1.00 11.34 N ATOM 471 CA GLY E 65 44.181 52.272 13.088 1.00 11.31 C ATOM 472 C GLY E 65 44.585 52.681 14.524 1.00 11.39 C ATOM 473 O GLY E 65 45.669 53.285 14.801 1.00 10.83 O ATOM 474 N THR E 66 43.676 52.432 15.454 1.00 11.47 N ATOM 475 CA THR E 66 43.902 52.751 16.873 1.00 11.48 C ATOM 476 C THR E 66 45.025 51.890 17.460 1.00 11.25 C ATOM 477 O THR E 66 45.856 52.382 18.248 1.00 10.28 O ATOM 478 CB THR E 66 42.573 52.557 17.665 1.00 11.41 C ATOM 479 OG1 THR E 66 41.617 53.506 17.153 1.00 14.56 O ATOM 480 CG2 THR E 66 42.746 52.922 19.198 1.00 12.19 C ATOM 481 N HIS E 67 45.059 50.626 17.088 1.00 10.53 N ATOM 482 CA HIS E 67 46.110 49.740 17.583 1.00 10.59 C ATOM 483 C HIS E 67 47.489 50.191 17.017 1.00 11.12 C ATOM 484 O HIS E 67 48.498 50.331 17.759 1.00 10.47 O ATOM 485 CB HIS E 67 45.785 48.306 17.163 1.00 10.35 C ATOM 486 CG HIS E 67 46.622 47.274 17.843 1.00 9.89 C ATOM 487 ND1 HIS E 67 47.910 46.958 17.445 1.00 9.31 N ATOM 488 CD2 HIS E 67 46.361 46.513 18.927 1.00 9.70 C ATOM 489 CE1 HIS E 67 48.387 46.017 18.237 1.00 8.91 C ATOM 490 NE2 HIS E 67 47.478 45.751 19.168 1.00 9.85 N ATOM 491 N VAL E 68 47.528 50.394 15.696 1.00 10.44 N ATOM 492 CA VAL E 68 48.716 50.927 15.032 1.00 9.09 C ATOM 493 C VAL E 68 49.193 52.240 15.679 1.00 10.52 C ATOM 494 O VAL E 68 50.411 52.399 15.954 1.00 9.94 O ATOM 495 CB VAL E 68 48.479 51.107 13.497 1.00 10.29 C ATOM 496 CG1 VAL E 68 49.668 51.865 12.837 1.00 8.55 C ATOM 497 CG2 VAL E 68 48.240 49.717 12.841 1.00 8.36 C ATOM 498 N ALA E 69 48.262 53.165 15.912 1.00 10.94 N ATOM 499 CA ALA E 69 48.636 54.452 16.532 1.00 10.77 C ATOM 500 C ALA E 69 49.283 54.265 17.918 1.00 10.49 C ATOM 501 O ALA E 69 50.216 54.993 18.279 1.00 10.02 O ATOM 502 CB ALA E 69 47.390 55.343 16.637 1.00 10.62 C ATOM 503 N GLY E 70 48.745 53.352 18.754 1.00 9.30 N ATOM 504 CA GLY E 70 49.339 53.120 20.076 1.00 8.71 C ATOM 505 C GLY E 70 50.751 52.560 20.054 1.00 9.60 C ATOM 506 O GLY E 70 51.581 52.837 20.960 1.00 8.86 O ATOM 507 N THR E 71 51.062 51.749 19.058 1.00 9.10 N ATOM 508 CA THR E 71 52.455 51.305 18.921 1.00 8.59 C ATOM 509 C THR E 71 53.345 52.504 18.542 1.00 9.22 C ATOM 510 O THR E 71 54.443 52.651 19.105 1.00 8.74 O ATOM 511 CB THR E 71 52.546 50.235 17.842 1.00 9.77 C ATOM 512 OG1 THR E 71 51.793 49.084 18.298 1.00 10.26 O ATOM 513 CG2 THR E 71 54.029 49.751 17.644 1.00 8.15 C ATOM 514 N VAL E 72 52.871 53.364 17.643 1.00 8.21 N ATOM 515 CA VAL E 72 53.665 54.579 17.344 1.00 8.23 C ATOM 516 C VAL E 72 53.862 55.457 18.598 1.00 8.93 C ATOM 517 O VAL E 72 54.988 55.929 18.860 1.00 9.94 O ATOM 518 CB VAL E 72 53.005 55.475 16.246 1.00 8.64 C ATOM 519 CG1 VAL E 72 53.911 56.704 15.884 1.00 9.62 C ATOM 520 CG2 VAL E 72 52.776 54.625 14.941 1.00 7.57 C ATOM 521 N ALA E 73 52.780 55.731 19.325 1.00 8.51 N ATOM 522 CA ALA E 73 52.787 56.941 20.195 1.00 9.58 C ATOM 523 C ALA E 73 51.843 56.862 21.398 1.00 9.10 C ATOM 524 O ALA E 73 51.481 57.923 21.982 1.00 9.83 O ATOM 525 CB ALA E 73 52.425 58.214 19.329 1.00 9.01 C ATOM 526 N ALA E 74 51.540 55.650 21.894 1.00 9.03 N ATOM 527 CA ALA E 74 50.787 55.622 23.171 1.00 8.92 C ATOM 528 C ALA E 74 51.535 56.460 24.239 1.00 9.75 C ATOM 529 O ALA E 74 52.790 56.412 24.346 1.00 8.96 O ATOM 530 CB ALA E 74 50.511 54.179 23.677 1.00 9.31 C ATOM 531 N LEU E 75 50.766 57.195 25.018 1.00 9.23 N ATOM 532 CA LEU E 75 51.333 58.226 25.939 1.00 9.72 C ATOM 533 C LEU E 75 52.174 57.621 27.067 1.00 9.97 C ATOM 534 O LEU E 75 51.903 56.514 27.530 1.00 9.08 O ATOM 535 CB LEU E 75 50.194 59.024 26.589 1.00 9.14 C ATOM 536 CG LEU E 75 49.397 59.861 25.564 1.00 10.15 C ATOM 537 CD1 LEU E 75 48.228 60.507 26.333 1.00 10.00 C ATOM 538 CD2 LEU E 75 50.276 60.949 24.879 1.00 10.58 C ATOM 539 N ASN E 76 53.194 58.378 27.491 1.00 9.55 N ATOM 540 CA ASN E 76 54.008 57.998 28.649 1.00 10.64 C ATOM 541 C ASN E 76 53.366 58.556 29.921 1.00 10.59 C ATOM 542 O ASN E 76 53.366 59.778 30.156 1.00 11.68 O ATOM 543 CB ASN E 76 55.420 58.576 28.467 1.00 10.90 C ATOM 544 CG ASN E 76 56.365 58.167 29.606 1.00 12.50 C ATOM 545 OD1 ASN E 76 56.146 57.142 30.240 1.00 12.02 O ATOM 546 ND2 ASN E 76 57.423 58.997 29.873 1.00 13.49 N ATOM 547 N ASN E 77 52.788 57.678 30.720 1.00 10.33 N ATOM 548 CA ASN E 77 51.961 58.083 31.857 1.00 10.28 C ATOM 549 C ASN E 77 51.856 56.849 32.764 1.00 11.16 C ATOM 550 O ASN E 77 52.744 55.968 32.704 1.00 11.20 O ATOM 551 CB ASN E 77 50.580 58.623 31.412 1.00 10.52 C ATOM 552 CG ASN E 77 49.837 57.641 30.489 1.00 9.84 C ATOM 553 OD1 ASN E 77 50.125 56.438 30.481 1.00 9.88 O ATOM 554 ND2 ASN E 77 48.914 58.173 29.667 1.00 11.19 N ATOM 555 N SER E 78 50.848 56.791 33.646 1.00 11.40 N ATOM 556 CA SER E 78 50.740 55.643 34.535 1.00 12.11 C ATOM 557 C SER E 78 49.670 54.640 34.087 1.00 12.08 C ATOM 558 O SER E 78 49.198 53.842 34.894 1.00 12.23 O ATOM 559 CB SER E 78 50.509 56.108 36.012 1.00 13.22 C ATOM 560 OG SER E 78 49.274 56.836 36.088 1.00 14.93 O ATOM 561 N ILE E 79 49.283 54.661 32.809 1.00 12.20 N ATOM 562 CA ILE E 79 48.266 53.727 32.338 1.00 12.93 C ATOM 563 C ILE E 79 48.620 53.001 31.059 1.00 12.40 C ATOM 564 O ILE E 79 49.465 53.444 30.280 1.00 11.04 O ATOM 565 CB ILE E 79 46.892 54.439 32.123 1.00 13.80 C ATOM 566 CG1 ILE E 79 47.010 55.493 31.045 1.00 14.84 C ATOM 567 CG2 ILE E 79 46.412 55.100 33.428 1.00 14.20 C ATOM 568 CD1 ILE E 79 45.580 55.927 30.407 1.00 17.74 C ATOM 569 N GLY E 80 47.940 51.885 30.843 1.00 11.60 N ATOM 570 CA GLY E 80 47.973 51.244 29.543 1.00 11.32 C ATOM 571 C GLY E 80 49.355 50.789 29.095 1.00 11.68 C ATOM 572 O GLY E 80 50.108 50.191 29.860 1.00 11.43 O ATOM 573 N VAL E 81 49.677 51.109 27.839 1.00 11.07 N ATOM 574 CA VAL E 81 50.943 50.727 27.249 1.00 11.19 C ATOM 575 C VAL E 81 51.767 52.005 27.037 1.00 11.37 C ATOM 576 O VAL E 81 51.241 53.114 27.162 1.00 12.95 O ATOM 577 CB VAL E 81 50.752 49.968 25.923 1.00 10.55 C ATOM 578 CG1 VAL E 81 50.127 48.581 26.177 1.00 11.27 C ATOM 579 CG2 VAL E 81 49.882 50.811 24.908 1.00 10.42 C ATOM 580 N LEU E 82 53.033 51.840 26.693 1.00 12.88 N ATOM 581 CA LEU E 82 53.911 52.953 26.267 1.00 10.75 C ATOM 582 C LEU E 82 54.212 52.810 24.793 1.00 11.40 C ATOM 583 O LEU E 82 54.533 51.698 24.335 1.00 12.60 O ATOM 584 CB LEU E 82 55.236 52.822 27.057 1.00 10.49 C ATOM 585 CG LEU E 82 56.370 53.798 26.712 1.00 11.64 C ATOM 586 CD1 LEU E 82 55.865 55.222 27.125 1.00 9.61 C ATOM 587 CD2 LEU E 82 57.711 53.382 27.489 1.00 12.01 C ATOM 588 N GLY E 83 54.141 53.910 24.046 1.00 10.23 N ATOM 589 CA GLY E 83 54.457 53.893 22.618 1.00 10.01 C ATOM 590 C GLY E 83 55.953 54.026 22.349 1.00 10.24 C ATOM 591 O GLY E 83 56.744 54.373 23.242 1.00 9.88 O ATOM 592 N VAL E 84 56.335 53.713 21.117 1.00 8.99 N ATOM 593 CA VAL E 84 57.719 53.889 20.717 1.00 8.91 C ATOM 594 C VAL E 84 58.163 55.378 20.826 1.00 8.55 C ATOM 595 O VAL E 84 59.249 55.651 21.323 1.00 8.96 O ATOM 596 CB VAL E 84 57.979 53.353 19.284 1.00 8.68 C ATOM 597 CG1 VAL E 84 59.403 53.728 18.819 1.00 8.87 C ATOM 598 CG2 VAL E 84 57.780 51.751 19.262 1.00 8.69 C ATOM 599 N ALA E 85 57.310 56.303 20.353 1.00 7.77 N ATOM 600 CA ALA E 85 57.587 57.744 20.334 1.00 9.00 C ATOM 601 C ALA E 85 56.416 58.459 21.052 1.00 7.98 C ATOM 602 O ALA E 85 55.536 59.032 20.394 1.00 8.52 O ATOM 603 CB ALA E 85 57.736 58.259 18.833 1.00 8.57 C ATOM 604 N PRO E 86 56.384 58.366 22.382 1.00 8.79 N ATOM 605 CA PRO E 86 55.186 58.768 23.145 1.00 9.64 C ATOM 606 C PRO E 86 54.884 60.271 23.122 1.00 10.54 C ATOM 607 O PRO E 86 53.768 60.620 23.478 1.00 11.47 O ATOM 608 CB PRO E 86 55.488 58.290 24.562 1.00 10.13 C ATOM 609 CG PRO E 86 57.045 58.283 24.639 1.00 10.01 C ATOM 610 CD PRO E 86 57.432 57.788 23.266 1.00 7.79 C ATOM 611 N SER E 87 55.836 61.108 22.698 1.00 10.32 N ATOM 612 CA SER E 87 55.577 62.554 22.539 1.00 10.85 C ATOM 613 C SER E 87 55.288 62.976 21.098 1.00 11.09 C ATOM 614 O SER E 87 55.135 64.179 20.813 1.00 12.06 O ATOM 615 CB SER E 87 56.753 63.405 23.067 1.00 10.85 C ATOM 616 OG SER E 87 56.970 63.141 24.439 1.00 11.96 O ATOM 617 N ALA E 88 55.255 62.034 20.165 1.00 10.57 N ATOM 618 CA ALA E 88 55.009 62.425 18.770 1.00 11.16 C ATOM 619 C ALA E 88 53.659 63.093 18.586 1.00 11.42 C ATOM 620 O ALA E 88 52.704 62.809 19.323 1.00 12.30 O ATOM 621 CB ALA E 88 55.083 61.180 17.818 1.00 11.55 C ATOM 622 N SER E 89 53.586 63.966 17.577 1.00 11.56 N ATOM 623 CA SER E 89 52.323 64.622 17.190 1.00 12.24 C ATOM 624 C SER E 89 51.633 63.667 16.236 1.00 12.02 C ATOM 625 O SER E 89 52.106 63.423 15.127 1.00 11.73 O ATOM 626 CB SER E 89 52.599 65.990 16.525 1.00 12.48 C ATOM 627 OG SER E 89 53.126 66.891 17.523 1.00 13.77 O ATOM 628 N LEU E 90 50.532 63.093 16.691 1.00 11.75 N ATOM 629 CA LEU E 90 49.889 61.978 16.013 1.00 12.32 C ATOM 630 C LEU E 90 48.691 62.461 15.165 1.00 12.55 C ATOM 631 O LEU E 90 47.793 63.093 15.698 1.00 14.13 O ATOM 632 CB LEU E 90 49.418 61.004 17.117 1.00 13.56 C ATOM 633 CG LEU E 90 48.770 59.657 16.874 1.00 17.17 C ATOM 634 CD1 LEU E 90 49.771 58.815 16.025 1.00 18.54 C ATOM 635 CD2 LEU E 90 48.378 58.919 18.169 1.00 15.64 C ATOM 636 N TYR E 91 48.660 62.118 13.875 1.00 12.53 N ATOM 637 CA TYR E 91 47.567 62.542 12.983 1.00 12.14 C ATOM 638 C TYR E 91 46.778 61.347 12.449 1.00 12.82 C ATOM 639 O TYR E 91 47.371 60.421 11.897 1.00 12.32 O ATOM 640 CB TYR E 91 48.132 63.361 11.800 1.00 12.26 C ATOM 641 CG TYR E 91 48.696 64.669 12.303 1.00 11.80 C ATOM 642 CD1 TYR E 91 49.956 64.697 12.901 1.00 11.77 C ATOM 643 CD2 TYR E 91 47.932 65.848 12.286 1.00 14.92 C ATOM 644 CE1 TYR E 91 50.490 65.899 13.438 1.00 13.10 C ATOM 645 CE2 TYR E 91 48.436 67.053 12.844 1.00 15.45 C ATOM 646 CZ TYR E 91 49.729 67.057 13.379 1.00 17.16 C ATOM 647 OH TYR E 91 50.277 68.202 13.922 1.00 19.62 O ATOM 648 N ALA E 92 45.452 61.361 12.630 1.00 12.11 N ATOM 649 CA ALA E 92 44.594 60.299 12.109 1.00 13.33 C ATOM 650 C ALA E 92 44.211 60.632 10.653 1.00 13.96 C ATOM 651 O ALA E 92 43.442 61.590 10.406 1.00 14.87 O ATOM 652 CB ALA E 92 43.317 60.204 12.992 1.00 11.73 C ATOM 653 N VAL E 93 44.756 59.877 9.689 1.00 13.72 N ATOM 654 CA VAL E 93 44.455 60.116 8.270 1.00 14.00 C ATOM 655 C VAL E 93 43.661 58.894 7.830 1.00 13.98 C ATOM 656 O VAL E 93 44.225 57.843 7.519 1.00 14.30 O ATOM 657 CB VAL E 93 45.739 60.333 7.406 1.00 14.31 C ATOM 658 CG1 VAL E 93 45.366 60.630 5.919 1.00 13.71 C ATOM 659 CG2 VAL E 93 46.595 61.485 8.001 1.00 12.75 C ATOM 660 N LYS E 94 42.337 59.033 7.869 1.00 14.15 N ATOM 661 CA LYS E 94 41.465 57.895 7.704 1.00 14.14 C ATOM 662 C LYS E 94 41.247 57.637 6.208 1.00 14.79 C ATOM 663 O LYS E 94 40.661 58.456 5.517 1.00 14.74 O ATOM 664 CB LYS E 94 40.119 58.170 8.408 1.00 14.12 C ATOM 665 CG LYS E 94 39.151 56.944 8.282 1.00 16.82 C ATOM 666 CD LYS E 94 37.748 57.310 8.745 1.00 23.63 C ATOM 667 CE LYS E 94 37.456 56.797 10.105 1.00 29.90 C ATOM 668 NZ LYS E 94 35.963 56.666 10.421 1.00 31.94 N ATOM 669 N VAL E 95 41.726 56.503 5.713 1.00 13.57 N ATOM 670 CA VAL E 95 41.510 56.156 4.314 1.00 14.31 C ATOM 671 C VAL E 95 40.897 54.762 4.137 1.00 15.35 C ATOM 672 O VAL E 95 40.766 54.279 2.978 1.00 14.78 O ATOM 673 CB VAL E 95 42.843 56.159 3.540 1.00 13.59 C ATOM 674 CG1 VAL E 95 43.527 57.610 3.683 1.00 13.27 C ATOM 675 CG2 VAL E 95 43.784 55.042 4.081 1.00 12.44 C ATOM 676 N LEU E 96 40.638 54.085 5.265 1.00 15.88 N ATOM 677 CA LEU E 96 40.022 52.729 5.269 1.00 16.57 C ATOM 678 C LEU E 96 38.688 52.840 6.021 1.00 17.04 C ATOM 679 O LEU E 96 38.591 53.560 7.021 1.00 16.93 O ATOM 680 CB LEU E 96 40.916 51.682 6.002 1.00 15.64 C ATOM 681 CG LEU E 96 42.341 51.550 5.447 1.00 15.90 C ATOM 682 CD1 LEU E 96 43.184 50.586 6.259 1.00 15.39 C ATOM 683 CD2 LEU E 96 42.344 51.163 3.919 1.00 15.48 C ATOM 684 N GLY E 97 37.650 52.135 5.544 1.00 19.44 N ATOM 685 CA GLY E 97 36.380 52.160 6.237 1.00 19.64 C ATOM 686 C GLY E 97 36.278 51.074 7.296 1.00 21.49 C ATOM 687 O GLY E 97 37.258 50.368 7.596 1.00 20.79 O ATOM 688 N ALA E 98 35.084 50.950 7.884 1.00 20.77 N ATOM 689 CA ALA E 98 34.798 49.909 8.887 1.00 21.55 C ATOM 690 C ALA E 98 35.253 48.492 8.524 1.00 21.00 C ATOM 691 O ALA E 98 35.732 47.754 9.402 1.00 20.51 O ATOM 692 CB ALA E 98 33.290 49.905 9.248 1.00 20.49 C ATOM 693 N ASP E 99 35.122 48.113 7.246 1.00 20.15 N ATOM 694 CA ASP E 99 35.483 46.764 6.824 1.00 19.75 C ATOM 695 C ASP E 99 36.971 46.572 6.555 1.00 19.14 C ATOM 696 O ASP E 99 37.369 45.521 6.107 1.00 19.30 O ATOM 697 CB ASP E 99 34.620 46.265 5.627 1.00 20.58 C ATOM 698 CG ASP E 99 34.918 46.989 4.334 1.00 23.20 C ATOM 699 OD1 ASP E 99 35.925 47.775 4.261 1.00 20.51 O ATOM 700 OD2 ASP E 99 34.164 46.867 3.328 1.00 24.19 O ATOM 701 N GLY E 100 37.788 47.592 6.843 1.00 18.39 N ATOM 702 CA GLY E 100 39.227 47.447 6.699 1.00 17.57 C ATOM 703 C GLY E 100 39.772 47.669 5.306 1.00 17.77 C ATOM 704 O GLY E 100 40.928 47.380 5.063 1.00 16.48 O ATOM 705 N SER E 101 38.955 48.201 4.386 1.00 17.43 N ATOM 706 CA SER E 101 39.390 48.346 2.998 1.00 16.72 C ATOM 707 C SER E 101 39.190 49.774 2.513 1.00 15.28 C ATOM 708 O SER E 101 38.375 50.513 3.064 1.00 16.22 O ATOM 709 CB SER E 101 38.633 47.383 2.077 1.00 16.97 C ATOM 710 OG SER E 101 37.359 47.946 1.784 1.00 19.23 O ATOM 711 N GLY E 102 39.977 50.175 1.518 1.00 15.81 N ATOM 712 CA GLY E 102 39.784 51.475 0.908 1.00 15.94 C ATOM 713 C GLY E 102 40.153 51.450 -0.555 1.00 16.36 C ATOM 714 O GLY E 102 40.962 50.624 -1.010 1.00 16.68 O ATOM 715 N GLN E 103 39.568 52.384 -1.302 1.00 17.66 N ATOM 716 CA GLN E 103 39.902 52.548 -2.715 1.00 19.32 C ATOM 717 C GLN E 103 41.286 53.165 -2.847 1.00 19.48 C ATOM 718 O GLN E 103 41.685 53.966 -1.972 1.00 18.86 O ATOM 719 CB AGLN E 103 38.841 53.417 -3.401 0.50 19.47 C ATOM 720 CB BGLN E 103 38.866 53.451 -3.399 0.50 19.57 C ATOM 721 CG AGLN E 103 37.452 52.759 -3.391 0.50 21.87 C ATOM 722 CG BGLN E 103 37.553 52.739 -3.773 0.50 22.61 C ATOM 723 CD AGLN E 103 36.377 53.580 -4.081 0.50 24.24 C ATOM 724 CD BGLN E 103 37.758 51.569 -4.721 0.50 25.64 C ATOM 725 OE1AGLN E 103 36.668 54.418 -4.938 0.50 25.15 O ATOM 726 OE1BGLN E 103 38.594 51.631 -5.633 0.50 27.99 O ATOM 727 NE2AGLN E 103 35.128 53.341 -3.705 0.50 27.03 N ATOM 728 NE2BGLN E 103 37.004 50.492 -4.507 0.50 27.44 N ATOM 729 N TYR E 104 42.007 52.840 -3.929 1.00 18.35 N ATOM 730 CA TYR E 104 43.345 53.423 -4.124 1.00 19.13 C ATOM 731 C TYR E 104 43.296 54.966 -4.059 1.00 19.25 C ATOM 732 O TYR E 104 44.170 55.589 -3.451 1.00 18.21 O ATOM 733 CB TYR E 104 44.010 52.962 -5.441 1.00 18.63 C ATOM 734 CG TYR E 104 44.731 51.621 -5.375 1.00 20.49 C ATOM 735 CD1 TYR E 104 44.066 50.469 -4.903 1.00 23.65 C ATOM 736 CD2 TYR E 104 46.070 51.484 -5.781 1.00 21.47 C ATOM 737 CE1 TYR E 104 44.705 49.229 -4.839 1.00 24.23 C ATOM 738 CE2 TYR E 104 46.722 50.195 -5.720 1.00 22.62 C ATOM 739 CZ TYR E 104 46.023 49.096 -5.233 1.00 25.77 C ATOM 740 OH TYR E 104 46.595 47.837 -5.132 1.00 28.53 O ATOM 741 N SER E 105 42.279 55.581 -4.662 1.00 19.13 N ATOM 742 CA SER E 105 42.179 57.037 -4.607 1.00 19.26 C ATOM 743 C SER E 105 42.062 57.609 -3.171 1.00 18.67 C ATOM 744 O SER E 105 42.530 58.733 -2.907 1.00 17.84 O ATOM 745 CB SER E 105 41.000 57.548 -5.451 1.00 19.96 C ATOM 746 OG SER E 105 39.781 57.145 -4.853 1.00 22.34 O ATOM 747 N TRP E 106 41.437 56.864 -2.257 1.00 17.92 N ATOM 748 CA TRP E 106 41.378 57.312 -0.861 1.00 17.89 C ATOM 749 C TRP E 106 42.775 57.318 -0.228 1.00 17.30 C ATOM 750 O TRP E 106 43.135 58.292 0.441 1.00 16.92 O ATOM 751 CB TRP E 106 40.420 56.476 -0.028 1.00 18.40 C ATOM 752 CG TRP E 106 39.007 56.304 -0.616 1.00 19.20 C ATOM 753 CD1 TRP E 106 38.429 56.977 -1.687 1.00 20.90 C ATOM 754 CD2 TRP E 106 38.032 55.367 -0.157 1.00 20.59 C ATOM 755 NE1 TRP E 106 37.140 56.517 -1.883 1.00 22.47 N ATOM 756 CE2 TRP E 106 36.876 55.519 -0.971 1.00 22.39 C ATOM 757 CE3 TRP E 106 38.003 54.435 0.900 1.00 18.62 C ATOM 758 CZ2 TRP E 106 35.723 54.753 -0.784 1.00 22.72 C ATOM 759 CZ3 TRP E 106 36.840 53.654 1.086 1.00 20.89 C ATOM 760 CH2 TRP E 106 35.725 53.820 0.238 1.00 22.17 C ATOM 761 N ILE E 107 43.554 56.262 -0.461 1.00 17.01 N ATOM 762 CA ILE E 107 44.919 56.184 0.107 1.00 16.53 C ATOM 763 C ILE E 107 45.752 57.336 -0.478 1.00 17.18 C ATOM 764 O ILE E 107 46.497 58.027 0.251 1.00 16.01 O ATOM 765 CB ILE E 107 45.571 54.759 -0.174 1.00 17.06 C ATOM 766 CG1 ILE E 107 45.083 53.682 0.838 1.00 18.16 C ATOM 767 CG2 ILE E 107 47.122 54.804 -0.102 1.00 16.75 C ATOM 768 CD1 ILE E 107 43.568 53.347 0.870 1.00 17.80 C ATOM 769 N ILE E 108 45.623 57.560 -1.786 1.00 15.78 N ATOM 770 CA ILE E 108 46.393 58.604 -2.443 1.00 16.22 C ATOM 771 C ILE E 108 46.043 59.984 -1.897 1.00 15.74 C ATOM 772 O ILE E 108 46.956 60.784 -1.616 1.00 16.07 O ATOM 773 CB ILE E 108 46.211 58.530 -4.005 1.00 17.21 C ATOM 774 CG1 ILE E 108 46.943 57.300 -4.552 1.00 15.80 C ATOM 775 CG2 ILE E 108 46.715 59.862 -4.684 1.00 17.22 C ATOM 776 CD1 ILE E 108 46.437 56.827 -5.997 1.00 19.38 C ATOM 777 N ASN E 109 44.747 60.248 -1.712 1.00 14.74 N ATOM 778 CA ASN E 109 44.287 61.508 -1.119 1.00 16.30 C ATOM 779 C ASN E 109 44.858 61.708 0.294 1.00 16.49 C ATOM 780 O ASN E 109 45.168 62.843 0.715 1.00 15.46 O ATOM 781 CB ASN E 109 42.744 61.582 -1.085 1.00 15.72 C ATOM 782 CG ASN E 109 42.134 61.855 -2.484 1.00 21.80 C ATOM 783 OD1 ASN E 109 42.812 62.337 -3.372 1.00 24.46 O ATOM 784 ND2 ASN E 109 40.862 61.498 -2.671 1.00 24.93 N ATOM 785 N GLY E 110 45.003 60.597 1.022 1.00 16.63 N ATOM 786 CA GLY E 110 45.546 60.672 2.376 1.00 14.99 C ATOM 787 C GLY E 110 47.045 61.008 2.329 1.00 14.81 C ATOM 788 O GLY E 110 47.507 61.792 3.162 1.00 14.14 O ATOM 789 N ILE E 111 47.792 60.371 1.421 1.00 13.30 N ATOM 790 CA ILE E 111 49.215 60.677 1.267 1.00 14.17 C ATOM 791 C ILE E 111 49.363 62.160 0.842 1.00 14.91 C ATOM 792 O ILE E 111 50.206 62.883 1.382 1.00 13.62 O ATOM 793 CB ILE E 111 49.893 59.746 0.247 1.00 13.80 C ATOM 794 CG1 ILE E 111 49.871 58.270 0.715 1.00 13.92 C ATOM 795 CG2 ILE E 111 51.355 60.225 -0.100 1.00 12.91 C ATOM 796 CD1 ILE E 111 50.075 57.271 -0.461 1.00 12.22 C ATOM 797 N GLU E 112 48.510 62.627 -0.078 1.00 15.57 N ATOM 798 CA GLU E 112 48.530 64.045 -0.441 1.00 15.60 C ATOM 799 C GLU E 112 48.229 64.985 0.719 1.00 15.88 C ATOM 800 O GLU E 112 48.927 66.008 0.857 1.00 16.55 O ATOM 801 CB GLU E 112 47.598 64.349 -1.653 1.00 17.36 C ATOM 802 CG GLU E 112 48.029 63.647 -2.935 1.00 18.31 C ATOM 803 CD GLU E 112 49.172 64.320 -3.711 1.00 25.32 C ATOM 804 OE1 GLU E 112 49.764 65.347 -3.244 1.00 25.41 O ATOM 805 OE2 GLU E 112 49.493 63.807 -4.826 1.00 29.46 O ATOM 806 N TRP E 113 47.239 64.668 1.560 1.00 14.62 N ATOM 807 CA TRP E 113 46.934 65.470 2.748 1.00 14.62 C ATOM 808 C TRP E 113 48.201 65.525 3.647 1.00 15.50 C ATOM 809 O TRP E 113 48.551 66.589 4.177 1.00 14.37 O ATOM 810 CB TRP E 113 45.742 64.899 3.533 1.00 14.62 C ATOM 811 CG TRP E 113 45.367 65.702 4.710 1.00 14.82 C ATOM 812 CD1 TRP E 113 44.407 66.686 4.747 1.00 16.67 C ATOM 813 CD2 TRP E 113 45.944 65.650 6.035 1.00 17.16 C ATOM 814 NE1 TRP E 113 44.340 67.228 6.011 1.00 18.39 N ATOM 815 CE2 TRP E 113 45.280 66.624 6.820 1.00 18.42 C ATOM 816 CE3 TRP E 113 46.963 64.882 6.635 1.00 18.91 C ATOM 817 CZ2 TRP E 113 45.589 66.851 8.186 1.00 18.22 C ATOM 818 CZ3 TRP E 113 47.294 65.129 7.994 1.00 17.86 C ATOM 819 CH2 TRP E 113 46.591 66.088 8.752 1.00 15.73 C ATOM 820 N ALA E 114 48.854 64.372 3.817 1.00 14.83 N ATOM 821 CA ALA E 114 50.040 64.317 4.695 1.00 14.55 C ATOM 822 C ALA E 114 51.133 65.238 4.176 1.00 15.60 C ATOM 823 O ALA E 114 51.761 65.950 4.977 1.00 15.92 O ATOM 824 CB ALA E 114 50.542 62.860 4.852 1.00 15.00 C ATOM 825 N ILE E 115 51.362 65.232 2.849 1.00 15.66 N ATOM 826 CA ILE E 115 52.395 66.085 2.237 1.00 15.78 C ATOM 827 C ILE E 115 52.020 67.542 2.474 1.00 16.71 C ATOM 828 O ILE E 115 52.860 68.348 2.910 1.00 16.02 O ATOM 829 CB ILE E 115 52.558 65.799 0.708 1.00 15.88 C ATOM 830 CG1 ILE E 115 53.005 64.362 0.469 1.00 17.09 C ATOM 831 CG2 ILE E 115 53.584 66.751 0.077 1.00 17.01 C ATOM 832 CD1 ILE E 115 52.916 63.908 -1.051 1.00 16.15 C ATOM 833 N ALA E 116 50.753 67.880 2.200 1.00 15.90 N ATOM 834 CA ALA E 116 50.301 69.292 2.289 1.00 16.83 C ATOM 835 C ALA E 116 50.341 69.810 3.713 1.00 18.35 C ATOM 836 O ALA E 116 50.473 71.023 3.938 1.00 17.56 O ATOM 837 CB ALA E 116 48.860 69.459 1.695 1.00 18.24 C ATOM 838 N ASN E 117 50.234 68.895 4.693 1.00 16.49 N ATOM 839 CA ASN E 117 50.229 69.275 6.094 1.00 17.29 C ATOM 840 C ASN E 117 51.575 69.075 6.819 1.00 15.45 C ATOM 841 O ASN E 117 51.639 69.118 8.066 1.00 16.37 O ATOM 842 CB ASN E 117 49.056 68.579 6.790 1.00 16.39 C ATOM 843 CG ASN E 117 47.715 69.252 6.432 1.00 19.45 C ATOM 844 OD1 ASN E 117 47.303 70.203 7.105 1.00 22.67 O ATOM 845 ND2 ASN E 117 47.071 68.799 5.349 1.00 17.53 N ATOM 846 N ASN E 118 52.633 68.916 6.025 1.00 15.67 N ATOM 847 CA ASN E 118 54.025 68.870 6.487 1.00 15.93 C ATOM 848 C ASN E 118 54.298 67.750 7.490 1.00 15.92 C ATOM 849 O ASN E 118 55.008 67.946 8.476 1.00 15.24 O ATOM 850 CB ASN E 118 54.464 70.243 7.051 1.00 18.28 C ATOM 851 CG ASN E 118 54.228 71.357 6.031 1.00 21.87 C ATOM 852 OD1 ASN E 118 54.735 71.296 4.939 1.00 25.83 O ATOM 853 ND2 ASN E 118 53.439 72.354 6.397 1.00 29.79 N ATOM 854 N MET E 119 53.746 66.566 7.211 1.00 14.44 N ATOM 855 CA MET E 119 54.023 65.393 8.056 1.00 12.59 C ATOM 856 C MET E 119 55.497 65.018 7.880 1.00 12.57 C ATOM 857 O MET E 119 56.043 65.107 6.763 1.00 13.75 O ATOM 858 CB MET E 119 53.119 64.197 7.651 1.00 12.98 C ATOM 859 CG MET E 119 51.588 64.347 7.940 1.00 12.06 C ATOM 860 SD MET E 119 51.222 64.552 9.691 1.00 13.48 S ATOM 861 CE MET E 119 50.703 66.351 9.708 1.00 12.14 C ATOM 862 N ASP E 120 56.164 64.641 8.972 1.00 11.89 N ATOM 863 CA ASP E 120 57.560 64.167 8.909 1.00 11.35 C ATOM 864 C ASP E 120 57.646 62.672 8.591 1.00 10.53 C ATOM 865 O ASP E 120 58.635 62.217 8.011 1.00 10.38 O ATOM 866 CB ASP E 120 58.225 64.394 10.266 1.00 11.08 C ATOM 867 CG ASP E 120 58.258 65.881 10.626 1.00 15.04 C ATOM 868 OD1 ASP E 120 58.851 66.667 9.842 1.00 15.17 O ATOM 869 OD2 ASP E 120 57.642 66.341 11.599 1.00 12.98 O ATOM 870 N VAL E 121 56.622 61.925 9.002 1.00 10.39 N ATOM 871 CA VAL E 121 56.613 60.457 8.858 1.00 9.16 C ATOM 872 C VAL E 121 55.192 60.035 8.474 1.00 10.58 C ATOM 873 O VAL E 121 54.227 60.578 9.017 1.00 10.02 O ATOM 874 CB VAL E 121 56.968 59.747 10.210 1.00 8.94 C ATOM 875 CG1 VAL E 121 57.078 58.207 10.012 1.00 9.28 C ATOM 876 CG2 VAL E 121 58.336 60.264 10.804 1.00 9.53 C ATOM 877 N ILE E 122 55.093 59.080 7.544 1.00 10.22 N ATOM 878 CA ILE E 122 53.849 58.378 7.247 1.00 10.37 C ATOM 879 C ILE E 122 54.013 56.917 7.601 1.00 10.67 C ATOM 880 O ILE E 122 55.020 56.293 7.236 1.00 12.09 O ATOM 881 CB ILE E 122 53.544 58.525 5.709 1.00 10.84 C ATOM 882 CG1 ILE E 122 53.011 59.937 5.422 1.00 9.74 C ATOM 883 CG2 ILE E 122 52.546 57.397 5.218 1.00 11.60 C ATOM 884 CD1 ILE E 122 52.920 60.220 3.872 1.00 11.28 C ATOM 885 N ASN E 123 53.016 56.360 8.302 1.00 10.70 N ATOM 886 CA ASN E 123 52.932 54.918 8.463 1.00 10.70 C ATOM 887 C ASN E 123 51.727 54.435 7.667 1.00 10.78 C ATOM 888 O ASN E 123 50.629 54.973 7.851 1.00 10.28 O ATOM 889 CB ASN E 123 52.707 54.560 9.932 1.00 10.77 C ATOM 890 CG ASN E 123 52.717 53.061 10.159 1.00 11.19 C ATOM 891 OD1 ASN E 123 53.770 52.458 10.288 1.00 11.54 O ATOM 892 ND2 ASN E 123 51.525 52.448 10.181 1.00 9.67 N ATOM 893 N MET E 124 51.934 53.382 6.862 1.00 11.20 N ATOM 894 CA MET E 124 50.841 52.732 6.122 1.00 10.66 C ATOM 895 C MET E 124 50.831 51.223 6.435 1.00 10.57 C ATOM 896 O MET E 124 51.509 50.438 5.761 1.00 12.15 O ATOM 897 CB MET E 124 51.045 52.956 4.619 1.00 11.50 C ATOM 898 CG MET E 124 50.468 54.346 4.243 1.00 12.94 C ATOM 899 SD MET E 124 50.624 54.686 2.471 1.00 15.22 S ATOM 900 CE MET E 124 52.345 54.827 2.202 1.00 15.12 C ATOM 901 N SER E 125 50.047 50.841 7.434 1.00 10.94 N ATOM 902 CA SER E 125 49.917 49.428 7.831 1.00 10.84 C ATOM 903 C SER E 125 48.818 48.791 6.936 1.00 12.14 C ATOM 904 O SER E 125 47.747 48.374 7.405 1.00 11.38 O ATOM 905 CB SER E 125 49.566 49.339 9.327 1.00 9.99 C ATOM 906 OG SER E 125 50.756 49.590 10.101 1.00 11.22 O ATOM 907 N LEU E 126 49.096 48.763 5.644 1.00 11.80 N ATOM 908 CA LEU E 126 48.029 48.469 4.676 1.00 12.61 C ATOM 909 C LEU E 126 48.700 48.065 3.370 1.00 13.53 C ATOM 910 O LEU E 126 49.920 48.248 3.177 1.00 14.19 O ATOM 911 CB LEU E 126 47.083 49.698 4.518 1.00 12.17 C ATOM 912 CG LEU E 126 47.664 51.084 4.230 1.00 13.72 C ATOM 913 CD1 LEU E 126 48.357 51.094 2.855 1.00 16.00 C ATOM 914 CD2 LEU E 126 46.572 52.157 4.293 1.00 14.91 C ATOM 915 N GLY E 127 47.935 47.466 2.453 1.00 14.71 N ATOM 916 CA GLY E 127 48.549 47.117 1.186 1.00 14.81 C ATOM 917 C GLY E 127 47.601 46.351 0.264 1.00 16.33 C ATOM 918 O GLY E 127 46.451 46.047 0.636 1.00 15.19 O ATOM 919 N GLY E 128 48.075 46.106 -0.950 1.00 17.55 N ATOM 920 CA GLY E 128 47.363 45.216 -1.885 1.00 19.12 C ATOM 921 C GLY E 128 48.364 44.586 -2.838 1.00 21.20 C ATOM 922 O GLY E 128 49.502 45.036 -2.932 1.00 19.97 O ATOM 923 N PRO E 129 47.946 43.543 -3.568 1.00 23.04 N ATOM 924 CA PRO E 129 48.856 42.807 -4.461 1.00 23.57 C ATOM 925 C PRO E 129 49.257 43.552 -5.732 1.00 24.46 C ATOM 926 O PRO E 129 50.253 43.155 -6.349 1.00 24.67 O ATOM 927 CB PRO E 129 48.046 41.554 -4.829 1.00 24.23 C ATOM 928 CG PRO E 129 46.614 42.023 -4.717 1.00 24.03 C ATOM 929 CD PRO E 129 46.591 42.951 -3.532 1.00 23.85 C ATOM 930 N SER E 130 48.531 44.586 -6.122 1.00 25.06 N ATOM 931 CA SER E 130 48.879 45.302 -7.349 1.00 27.08 C ATOM 932 C SER E 130 49.230 46.763 -7.072 1.00 27.83 C ATOM 933 O SER E 130 48.734 47.368 -6.124 1.00 29.10 O ATOM 934 CB SER E 130 47.747 45.257 -8.404 1.00 27.18 C ATOM 935 OG ASER E 130 46.516 45.731 -7.886 0.50 27.12 O ATOM 936 OG BSER E 130 46.988 44.069 -8.318 0.50 25.81 O ATOM 937 N GLY E 131 50.081 47.328 -7.903 1.00 28.35 N ATOM 938 CA GLY E 131 50.352 48.747 -7.749 1.00 28.04 C ATOM 939 C GLY E 131 49.507 49.571 -8.699 1.00 28.08 C ATOM 940 O GLY E 131 48.630 49.044 -9.409 1.00 28.10 O ATOM 941 N SER E 132 49.736 50.874 -8.696 1.00 25.72 N ATOM 942 CA SER E 132 49.238 51.728 -9.770 1.00 24.76 C ATOM 943 C SER E 132 50.231 52.861 -9.940 1.00 24.61 C ATOM 944 O SER E 132 50.919 53.249 -8.977 1.00 22.43 O ATOM 945 CB SER E 132 47.838 52.260 -9.481 1.00 24.84 C ATOM 946 OG SER E 132 47.828 53.357 -8.555 1.00 24.08 O ATOM 947 N ALA E 133 50.291 53.398 -11.155 1.00 23.72 N ATOM 948 CA ALA E 133 51.122 54.546 -11.420 1.00 22.88 C ATOM 949 C ALA E 133 50.823 55.697 -10.438 1.00 22.00 C ATOM 950 O ALA E 133 51.773 56.344 -9.965 1.00 21.58 O ATOM 951 CB ALA E 133 50.967 54.996 -12.903 1.00 23.96 C ATOM 952 N ALA E 134 49.540 55.961 -10.160 1.00 20.21 N ATOM 953 CA ALA E 134 49.154 57.081 -9.300 1.00 20.57 C ATOM 954 C ALA E 134 49.590 56.792 -7.850 1.00 19.94 C ATOM 955 O ALA E 134 49.974 57.719 -7.117 1.00 19.88 O ATOM 956 CB ALA E 134 47.615 57.370 -9.358 1.00 19.76 C ATOM 957 N LEU E 135 49.537 55.520 -7.437 1.00 19.40 N ATOM 958 CA LEU E 135 49.983 55.207 -6.068 1.00 19.00 C ATOM 959 C LEU E 135 51.495 55.397 -5.946 1.00 19.43 C ATOM 960 O LEU E 135 51.984 56.023 -4.977 1.00 17.96 O ATOM 961 CB LEU E 135 49.563 53.808 -5.632 1.00 17.71 C ATOM 962 CG LEU E 135 50.034 53.406 -4.219 1.00 17.75 C ATOM 963 CD1 LEU E 135 49.303 54.262 -3.174 1.00 13.61 C ATOM 964 CD2 LEU E 135 49.819 51.854 -3.967 1.00 16.46 C ATOM 965 N LYS E 136 52.240 54.861 -6.922 1.00 19.03 N ATOM 966 CA LYS E 136 53.676 55.060 -6.917 1.00 18.48 C ATOM 967 C LYS E 136 54.022 56.566 -6.940 1.00 18.96 C ATOM 968 O LYS E 136 54.938 57.027 -6.233 1.00 16.59 O ATOM 969 CB LYS E 136 54.355 54.322 -8.087 1.00 18.62 C ATOM 970 CG LYS E 136 55.886 54.433 -8.067 1.00 18.47 C ATOM 971 CD LYS E 136 56.556 53.638 -9.180 1.00 20.94 C ATOM 972 CE LYS E 136 58.039 53.506 -8.922 1.00 23.85 C ATOM 973 NZ LYS E 136 58.691 54.859 -9.086 1.00 21.29 N ATOM 974 N ALA E 137 53.297 57.335 -7.754 1.00 18.61 N ATOM 975 CA ALA E 137 53.592 58.763 -7.839 1.00 18.67 C ATOM 976 C ALA E 137 53.385 59.472 -6.487 1.00 18.56 C ATOM 977 O ALA E 137 54.180 60.365 -6.122 1.00 18.81 O ATOM 978 CB ALA E 137 52.746 59.425 -8.950 1.00 17.68 C ATOM 979 N ALA E 138 52.348 59.061 -5.743 1.00 17.11 N ATOM 980 CA ALA E 138 52.019 59.709 -4.457 1.00 15.73 C ATOM 981 C ALA E 138 53.111 59.436 -3.432 1.00 15.64 C ATOM 982 O ALA E 138 53.553 60.381 -2.766 1.00 14.68 O ATOM 983 CB ALA E 138 50.661 59.269 -3.913 1.00 17.05 C ATOM 984 N VAL E 139 53.538 58.175 -3.313 1.00 14.02 N ATOM 985 CA VAL E 139 54.616 57.849 -2.362 1.00 15.50 C ATOM 986 C VAL E 139 55.959 58.451 -2.805 1.00 15.81 C ATOM 987 O VAL E 139 56.725 58.955 -1.966 1.00 15.40 O ATOM 988 CB VAL E 139 54.755 56.320 -2.025 1.00 13.95 C ATOM 989 CG1 VAL E 139 53.484 55.795 -1.304 1.00 14.20 C ATOM 990 CG2 VAL E 139 55.094 55.438 -3.266 1.00 16.62 C ATOM 991 N ASP E 140 56.253 58.427 -4.110 1.00 15.85 N ATOM 992 CA ASP E 140 57.487 59.037 -4.587 1.00 16.70 C ATOM 993 C ASP E 140 57.482 60.535 -4.284 1.00 16.51 C ATOM 994 O ASP E 140 58.521 61.086 -3.909 1.00 16.96 O ATOM 995 CB ASP E 140 57.672 58.834 -6.100 1.00 17.37 C ATOM 996 CG ASP E 140 58.001 57.419 -6.464 1.00 19.48 C ATOM 997 OD1 ASP E 140 58.177 56.566 -5.549 1.00 18.48 O ATOM 998 OD2 ASP E 140 58.122 57.045 -7.669 1.00 17.44 O ATOM 999 N LYS E 141 56.328 61.182 -4.432 1.00 16.12 N ATOM 1000 CA LYS E 141 56.223 62.620 -4.168 1.00 16.69 C ATOM 1001 C LYS E 141 56.430 62.923 -2.689 1.00 16.34 C ATOM 1002 O LYS E 141 57.089 63.923 -2.309 1.00 15.76 O ATOM 1003 CB LYS E 141 54.852 63.171 -4.636 1.00 16.68 C ATOM 1004 CG LYS E 141 54.623 64.651 -4.385 1.00 20.32 C ATOM 1005 CD LYS E 141 53.191 65.060 -4.793 1.00 24.51 C ATOM 1006 CE LYS E 141 52.818 66.496 -4.403 1.00 25.20 C ATOM 1007 NZ LYS E 141 51.392 66.732 -4.893 1.00 27.98 N ATOM 1008 N ALA E 142 55.871 62.063 -1.827 1.00 15.08 N ATOM 1009 CA ALA E 142 56.050 62.275 -0.377 1.00 14.01 C ATOM 1010 C ALA E 142 57.526 62.189 -0.017 1.00 12.88 C ATOM 1011 O ALA E 142 58.028 63.023 0.725 1.00 12.77 O ATOM 1012 CB ALA E 142 55.235 61.228 0.425 1.00 12.82 C ATOM 1013 N VAL E 143 58.224 61.203 -0.565 1.00 12.80 N ATOM 1014 CA VAL E 143 59.648 61.040 -0.275 1.00 13.47 C ATOM 1015 C VAL E 143 60.453 62.191 -0.862 1.00 14.43 C ATOM 1016 O VAL E 143 61.348 62.730 -0.178 1.00 13.12 O ATOM 1017 CB VAL E 143 60.177 59.661 -0.751 1.00 13.69 C ATOM 1018 CG1 VAL E 143 61.706 59.559 -0.715 1.00 15.04 C ATOM 1019 CG2 VAL E 143 59.446 58.520 0.090 1.00 13.38 C ATOM 1020 N ALA E 144 60.137 62.579 -2.104 1.00 15.46 N ATOM 1021 CA ALA E 144 60.819 63.745 -2.707 1.00 15.99 C ATOM 1022 C ALA E 144 60.632 65.001 -1.831 1.00 17.40 C ATOM 1023 O ALA E 144 61.533 65.863 -1.776 1.00 18.76 O ATOM 1024 CB ALA E 144 60.318 64.006 -4.160 1.00 16.61 C ATOM 1025 N SER E 145 59.492 65.094 -1.157 1.00 16.83 N ATOM 1026 CA SER E 145 59.166 66.229 -0.300 1.00 17.58 C ATOM 1027 C SER E 145 59.768 66.133 1.101 1.00 16.37 C ATOM 1028 O SER E 145 59.563 67.047 1.906 1.00 17.62 O ATOM 1029 CB SER E 145 57.660 66.431 -0.157 1.00 18.34 C ATOM 1030 OG SER E 145 57.056 66.547 -1.435 1.00 22.68 O ATOM 1031 N GLY E 146 60.465 65.040 1.409 1.00 15.08 N ATOM 1032 CA GLY E 146 61.179 64.949 2.674 1.00 12.85 C ATOM 1033 C GLY E 146 60.516 64.074 3.745 1.00 13.06 C ATOM 1034 O GLY E 146 61.018 64.012 4.861 1.00 12.71 O ATOM 1035 N VAL E 147 59.433 63.380 3.390 1.00 13.08 N ATOM 1036 CA VAL E 147 58.699 62.543 4.374 1.00 11.94 C ATOM 1037 C VAL E 147 59.345 61.157 4.454 1.00 11.70 C ATOM 1038 O VAL E 147 59.694 60.588 3.418 1.00 11.58 O ATOM 1039 CB VAL E 147 57.222 62.346 3.938 1.00 12.61 C ATOM 1040 CG1 VAL E 147 56.402 61.560 5.054 1.00 10.83 C ATOM 1041 CG2 VAL E 147 56.571 63.711 3.639 1.00 11.59 C ATOM 1042 N VAL E 148 59.488 60.611 5.663 1.00 10.78 N ATOM 1043 CA VAL E 148 59.872 59.203 5.821 1.00 11.01 C ATOM 1044 C VAL E 148 58.598 58.362 5.632 1.00 11.12 C ATOM 1045 O VAL E 148 57.651 58.540 6.385 1.00 12.08 O ATOM 1046 CB VAL E 148 60.455 58.931 7.261 1.00 10.77 C ATOM 1047 CG1 VAL E 148 60.755 57.453 7.447 1.00 12.07 C ATOM 1048 CG2 VAL E 148 61.798 59.741 7.491 1.00 9.76 C ATOM 1049 N VAL E 149 58.590 57.445 4.659 1.00 9.79 N ATOM 1050 CA VAL E 149 57.382 56.660 4.396 1.00 10.83 C ATOM 1051 C VAL E 149 57.667 55.190 4.726 1.00 9.74 C ATOM 1052 O VAL E 149 58.594 54.591 4.173 1.00 9.73 O ATOM 1053 CB VAL E 149 56.928 56.824 2.901 1.00 10.88 C ATOM 1054 CG1 VAL E 149 55.601 56.026 2.663 1.00 11.92 C ATOM 1055 CG2 VAL E 149 56.719 58.310 2.558 1.00 13.23 C ATOM 1056 N VAL E 150 56.833 54.613 5.598 1.00 11.15 N ATOM 1057 CA VAL E 150 57.071 53.269 6.123 1.00 10.02 C ATOM 1058 C VAL E 150 55.762 52.519 5.872 1.00 11.18 C ATOM 1059 O VAL E 150 54.660 53.052 6.109 1.00 11.20 O ATOM 1060 CB VAL E 150 57.286 53.283 7.662 1.00 11.00 C ATOM 1061 CG1 VAL E 150 57.568 51.842 8.221 1.00 9.42 C ATOM 1062 CG2 VAL E 150 58.437 54.274 8.078 1.00 9.44 C ATOM 1063 N ALA E 151 55.869 51.285 5.420 1.00 10.50 N ATOM 1064 CA ALA E 151 54.658 50.473 5.191 1.00 10.95 C ATOM 1065 C ALA E 151 54.868 48.999 5.606 1.00 10.26 C ATOM 1066 O ALA E 151 55.996 48.508 5.619 1.00 12.10 O ATOM 1067 CB ALA E 151 54.252 50.538 3.702 1.00 10.63 C ATOM 1068 N ALA E 152 53.785 48.314 5.972 1.00 11.04 N ATOM 1069 CA ALA E 152 53.807 46.838 6.197 1.00 11.83 C ATOM 1070 C ALA E 152 54.223 46.119 4.888 1.00 11.97 C ATOM 1071 O ALA E 152 53.736 46.480 3.811 1.00 12.55 O ATOM 1072 CB ALA E 152 52.397 46.368 6.635 1.00 12.68 C ATOM 1073 N ALA E 153 55.078 45.103 4.994 1.00 12.12 N ATOM 1074 CA ALA E 153 55.533 44.340 3.806 1.00 13.95 C ATOM 1075 C ALA E 153 54.393 43.513 3.202 1.00 14.89 C ATOM 1076 O ALA E 153 54.382 43.261 1.973 1.00 15.12 O ATOM 1077 CB ALA E 153 56.739 43.391 4.162 1.00 12.85 C ATOM 1078 N GLY E 154 53.416 43.138 4.034 1.00 15.03 N ATOM 1079 CA GLY E 154 52.367 42.193 3.620 1.00 14.62 C ATOM 1080 C GLY E 154 52.387 40.863 4.408 1.00 14.21 C ATOM 1081 O GLY E 154 53.406 40.498 5.023 1.00 13.50 O ATOM 1082 N ASN E 155 51.257 40.135 4.399 1.00 14.05 N ATOM 1083 CA ASN E 155 51.113 38.908 5.195 1.00 14.86 C ATOM 1084 C ASN E 155 50.894 37.700 4.267 1.00 17.04 C ATOM 1085 O ASN E 155 50.131 36.762 4.601 1.00 16.62 O ATOM 1086 CB ASN E 155 49.912 38.974 6.158 1.00 14.68 C ATOM 1087 CG ASN E 155 50.044 40.110 7.181 1.00 16.53 C ATOM 1088 OD1 ASN E 155 51.174 40.518 7.548 1.00 13.21 O ATOM 1089 ND2 ASN E 155 48.913 40.585 7.668 1.00 12.19 N ATOM 1090 N GLU E 156 51.648 37.683 3.177 1.00 17.82 N ATOM 1091 CA GLU E 156 51.442 36.639 2.152 1.00 19.30 C ATOM 1092 C GLU E 156 52.342 35.417 2.355 1.00 20.88 C ATOM 1093 O GLU E 156 52.225 34.420 1.602 1.00 22.38 O ATOM 1094 CB GLU E 156 51.696 37.234 0.778 1.00 19.19 C ATOM 1095 CG GLU E 156 50.703 38.282 0.367 1.00 20.05 C ATOM 1096 CD GLU E 156 49.283 37.742 0.453 1.00 27.86 C ATOM 1097 OE1 GLU E 156 49.063 36.596 0.018 1.00 28.58 O ATOM 1098 OE2 GLU E 156 48.399 38.423 0.999 1.00 28.70 O ATOM 1099 N GLY E 157 53.246 35.473 3.328 1.00 19.67 N ATOM 1100 CA GLY E 157 54.146 34.368 3.602 1.00 19.89 C ATOM 1101 C GLY E 157 55.042 34.064 2.408 1.00 21.85 C ATOM 1102 O GLY E 157 55.389 34.983 1.678 1.00 21.38 O ATOM 1103 N THR E 158 55.423 32.797 2.206 1.00 23.65 N ATOM 1104 CA THR E 158 56.347 32.450 1.104 1.00 26.03 C ATOM 1105 C THR E 158 55.633 31.892 -0.114 1.00 28.18 C ATOM 1106 O THR E 158 54.539 31.353 0.007 1.00 28.50 O ATOM 1107 CB THR E 158 57.414 31.425 1.533 1.00 25.86 C ATOM 1108 OG1 THR E 158 56.767 30.195 1.895 1.00 27.96 O ATOM 1109 CG2 THR E 158 58.162 31.871 2.793 1.00 24.77 C ATOM 1110 N SER E 159 56.273 31.998 -1.281 1.00 29.44 N ATOM 1111 CA SER E 159 55.730 31.380 -2.489 1.00 31.74 C ATOM 1112 C SER E 159 56.908 30.977 -3.354 1.00 31.81 C ATOM 1113 O SER E 159 57.174 31.603 -4.383 1.00 32.09 O ATOM 1114 CB SER E 159 54.813 32.350 -3.217 1.00 31.90 C ATOM 1115 OG SER E 159 54.284 31.726 -4.362 1.00 35.89 O ATOM 1116 N GLY E 160 57.640 29.963 -2.880 1.00 32.06 N ATOM 1117 CA GLY E 160 58.846 29.490 -3.522 1.00 32.84 C ATOM 1118 C GLY E 160 59.897 30.574 -3.617 1.00 33.07 C ATOM 1119 O GLY E 160 60.372 31.086 -2.606 1.00 33.33 O ATOM 1120 N SER E 161 60.245 30.936 -4.845 1.00 32.50 N ATOM 1121 CA SER E 161 61.276 31.926 -5.095 1.00 31.94 C ATOM 1122 C SER E 161 60.685 33.306 -5.436 1.00 30.50 C ATOM 1123 O SER E 161 61.439 34.259 -5.675 1.00 30.91 O ATOM 1124 CB SER E 161 62.213 31.413 -6.223 1.00 33.44 C ATOM 1125 OG ASER E 161 61.593 31.550 -7.498 0.67 33.55 O ATOM 1126 OG BSER E 161 63.565 31.372 -5.796 0.33 32.63 O ATOM 1127 N SER E 162 59.355 33.427 -5.448 1.00 28.71 N ATOM 1128 CA SER E 162 58.701 34.678 -5.835 1.00 27.65 C ATOM 1129 C SER E 162 58.681 35.670 -4.653 1.00 25.93 C ATOM 1130 O SER E 162 58.553 35.262 -3.504 1.00 24.03 O ATOM 1131 CB SER E 162 57.253 34.458 -6.257 1.00 28.57 C ATOM 1132 OG SER E 162 57.141 33.513 -7.328 1.00 32.98 O ATOM 1133 N SER E 163 58.792 36.952 -4.969 1.00 23.82 N ATOM 1134 CA SER E 163 58.528 37.986 -3.970 1.00 22.07 C ATOM 1135 C SER E 163 57.036 38.000 -3.649 1.00 21.90 C ATOM 1136 O SER E 163 56.182 37.829 -4.534 1.00 20.54 O ATOM 1137 CB SER E 163 58.970 39.336 -4.498 1.00 22.50 C ATOM 1138 OG SER E 163 58.413 40.378 -3.695 1.00 20.69 O ATOM 1139 N THR E 164 56.697 38.200 -2.377 1.00 19.72 N ATOM 1140 CA THR E 164 55.304 38.339 -2.005 1.00 17.94 C ATOM 1141 C THR E 164 55.037 39.653 -1.263 1.00 17.37 C ATOM 1142 O THR E 164 53.965 39.831 -0.689 1.00 17.13 O ATOM 1143 CB THR E 164 54.867 37.173 -1.111 1.00 17.77 C ATOM 1144 OG1 THR E 164 55.585 37.201 0.128 1.00 16.69 O ATOM 1145 CG2 THR E 164 55.226 35.809 -1.774 1.00 19.48 C ATOM 1146 N VAL E 165 55.984 40.591 -1.342 1.00 17.16 N ATOM 1147 CA VAL E 165 55.773 41.930 -0.764 1.00 16.87 C ATOM 1148 C VAL E 165 54.686 42.639 -1.549 1.00 17.63 C ATOM 1149 O VAL E 165 54.735 42.672 -2.803 1.00 17.84 O ATOM 1150 CB VAL E 165 57.105 42.730 -0.814 1.00 16.85 C ATOM 1151 CG1 VAL E 165 56.917 44.188 -0.319 1.00 13.12 C ATOM 1152 CG2 VAL E 165 58.209 42.004 -0.047 1.00 18.29 C ATOM 1153 N GLY E 166 53.708 43.244 -0.860 1.00 16.21 N ATOM 1154 CA GLY E 166 52.682 43.997 -1.556 1.00 17.10 C ATOM 1155 C GLY E 166 52.980 45.503 -1.666 1.00 16.33 C ATOM 1156 O GLY E 166 54.019 46.013 -1.204 1.00 16.92 O ATOM 1157 N TYR E 167 52.041 46.211 -2.280 1.00 15.55 N ATOM 1158 CA TYR E 167 52.164 47.656 -2.498 1.00 15.69 C ATOM 1159 C TYR E 167 51.372 48.395 -1.423 1.00 14.87 C ATOM 1160 O TYR E 167 50.269 47.953 -1.049 1.00 14.61 O ATOM 1161 CB TYR E 167 51.551 47.990 -3.861 1.00 15.50 C ATOM 1162 CG TYR E 167 52.327 47.369 -4.996 1.00 17.74 C ATOM 1163 CD1 TYR E 167 53.359 48.068 -5.624 1.00 17.73 C ATOM 1164 CD2 TYR E 167 52.007 46.081 -5.462 1.00 21.67 C ATOM 1165 CE1 TYR E 167 54.097 47.475 -6.677 1.00 21.11 C ATOM 1166 CE2 TYR E 167 52.704 45.496 -6.530 1.00 21.00 C ATOM 1167 CZ TYR E 167 53.753 46.198 -7.123 1.00 24.05 C ATOM 1168 OH TYR E 167 54.460 45.598 -8.161 1.00 26.60 O ATOM 1169 N PRO E 168 51.823 49.567 -0.960 1.00 14.58 N ATOM 1170 CA PRO E 168 52.979 50.318 -1.473 1.00 14.14 C ATOM 1171 C PRO E 168 54.356 49.916 -0.916 1.00 14.09 C ATOM 1172 O PRO E 168 55.393 50.477 -1.349 1.00 13.39 O ATOM 1173 CB PRO E 168 52.615 51.772 -1.098 1.00 13.84 C ATOM 1174 CG PRO E 168 51.849 51.620 0.214 1.00 14.44 C ATOM 1175 CD PRO E 168 51.051 50.312 0.057 1.00 14.31 C ATOM 1176 N GLY E 169 54.412 48.935 -0.005 1.00 13.49 N ATOM 1177 CA GLY E 169 55.704 48.497 0.518 1.00 13.20 C ATOM 1178 C GLY E 169 56.706 48.157 -0.583 1.00 14.91 C ATOM 1179 O GLY E 169 57.918 48.451 -0.458 1.00 14.32 O ATOM 1180 N LYS E 170 56.215 47.565 -1.679 1.00 14.36 N ATOM 1181 CA LYS E 170 57.112 47.039 -2.734 1.00 15.66 C ATOM 1182 C LYS E 170 57.842 48.146 -3.518 1.00 16.20 C ATOM 1183 O LYS E 170 58.867 47.878 -4.169 1.00 16.26 O ATOM 1184 CB LYS E 170 56.328 46.140 -3.714 1.00 16.62 C ATOM 1185 CG LYS E 170 57.194 45.122 -4.481 1.00 18.07 C ATOM 1186 CD LYS E 170 56.282 44.277 -5.406 1.00 20.98 C ATOM 1187 CE LYS E 170 57.092 43.345 -6.316 1.00 26.44 C ATOM 1188 NZ LYS E 170 56.178 42.404 -7.029 1.00 30.19 N ATOM 1189 N TYR E 171 57.332 49.371 -3.486 1.00 15.28 N ATOM 1190 CA TYR E 171 58.034 50.490 -4.156 1.00 15.72 C ATOM 1191 C TYR E 171 59.352 50.851 -3.446 1.00 16.23 C ATOM 1192 O TYR E 171 59.406 50.908 -2.190 1.00 16.23 O ATOM 1193 CB TYR E 171 57.134 51.738 -4.180 1.00 15.40 C ATOM 1194 CG TYR E 171 55.873 51.588 -4.991 1.00 16.57 C ATOM 1195 CD1 TYR E 171 55.932 51.183 -6.329 1.00 18.85 C ATOM 1196 CD2 TYR E 171 54.622 51.842 -4.430 1.00 16.33 C ATOM 1197 CE1 TYR E 171 54.787 51.028 -7.084 1.00 18.32 C ATOM 1198 CE2 TYR E 171 53.441 51.718 -5.194 1.00 18.54 C ATOM 1199 CZ TYR E 171 53.550 51.321 -6.521 1.00 20.96 C ATOM 1200 OH TYR E 171 52.430 51.176 -7.284 1.00 22.72 O ATOM 1201 N PRO E 172 60.422 51.065 -4.221 1.00 15.57 N ATOM 1202 CA PRO E 172 61.735 51.437 -3.669 1.00 15.12 C ATOM 1203 C PRO E 172 61.711 52.634 -2.709 1.00 14.34 C ATOM 1204 O PRO E 172 62.521 52.654 -1.768 1.00 14.48 O ATOM 1205 CB PRO E 172 62.556 51.775 -4.940 1.00 16.57 C ATOM 1206 CG PRO E 172 61.963 50.844 -5.983 1.00 17.71 C ATOM 1207 CD PRO E 172 60.471 50.907 -5.699 1.00 16.69 C ATOM 1208 N SER E 173 60.818 53.598 -2.932 1.00 14.19 N ATOM 1209 CA SER E 173 60.849 54.815 -2.093 1.00 14.59 C ATOM 1210 C SER E 173 60.264 54.569 -0.702 1.00 14.17 C ATOM 1211 O SER E 173 60.414 55.427 0.171 1.00 13.30 O ATOM 1212 CB SER E 173 60.120 55.992 -2.754 1.00 14.48 C ATOM 1213 OG SER E 173 58.741 55.679 -2.939 1.00 15.77 O ATOM 1214 N VAL E 174 59.595 53.425 -0.521 1.00 12.66 N ATOM 1215 CA VAL E 174 58.897 53.089 0.747 1.00 13.08 C ATOM 1216 C VAL E 174 59.707 52.038 1.518 1.00 13.75 C ATOM 1217 O VAL E 174 60.235 51.105 0.913 1.00 13.41 O ATOM 1218 CB VAL E 174 57.447 52.526 0.444 1.00 13.25 C ATOM 1219 CG1 VAL E 174 56.751 52.052 1.712 1.00 11.53 C ATOM 1220 CG2 VAL E 174 56.620 53.590 -0.300 1.00 10.22 C ATOM 1221 N ILE E 175 59.860 52.213 2.830 1.00 11.19 N ATOM 1222 CA ILE E 175 60.516 51.206 3.678 1.00 11.11 C ATOM 1223 C ILE E 175 59.503 50.084 3.960 1.00 11.26 C ATOM 1224 O ILE E 175 58.497 50.324 4.664 1.00 10.69 O ATOM 1225 CB ILE E 175 60.976 51.854 5.003 1.00 11.34 C ATOM 1226 CG1 ILE E 175 62.024 52.968 4.715 1.00 11.07 C ATOM 1227 CG2 ILE E 175 61.544 50.765 6.017 1.00 10.28 C ATOM 1228 CD1 ILE E 175 62.138 53.987 5.925 1.00 9.86 C ATOM 1229 N ALA E 176 59.756 48.892 3.386 1.00 10.66 N ATOM 1230 CA ALA E 176 58.852 47.746 3.604 1.00 11.06 C ATOM 1231 C ALA E 176 59.276 46.949 4.831 1.00 10.25 C ATOM 1232 O ALA E 176 60.423 46.556 4.955 1.00 10.77 O ATOM 1233 CB ALA E 176 58.850 46.796 2.358 1.00 11.25 C ATOM 1234 N VAL E 177 58.330 46.737 5.769 1.00 10.79 N ATOM 1235 CA VAL E 177 58.672 46.125 7.066 1.00 10.58 C ATOM 1236 C VAL E 177 58.015 44.768 7.264 1.00 10.66 C ATOM 1237 O VAL E 177 56.784 44.695 7.212 1.00 11.87 O ATOM 1238 CB VAL E 177 58.203 47.057 8.256 1.00 10.29 C ATOM 1239 CG1 VAL E 177 58.616 46.488 9.622 1.00 10.71 C ATOM 1240 CG2 VAL E 177 58.796 48.517 8.036 1.00 10.38 C ATOM 1241 N GLY E 178 58.835 43.751 7.566 1.00 11.42 N ATOM 1242 CA GLY E 178 58.328 42.400 7.875 1.00 11.44 C ATOM 1243 C GLY E 178 58.254 42.191 9.374 1.00 12.78 C ATOM 1244 O GLY E 178 58.731 43.017 10.173 1.00 11.94 O ATOM 1245 N ALA E 179 57.699 41.056 9.783 1.00 13.43 N ATOM 1246 CA ALA E 179 57.395 40.808 11.192 1.00 12.31 C ATOM 1247 C ALA E 179 58.228 39.675 11.768 1.00 13.21 C ATOM 1248 O ALA E 179 58.314 38.582 11.162 1.00 13.41 O ATOM 1249 CB ALA E 179 55.917 40.469 11.348 1.00 12.55 C ATOM 1250 N VAL E 180 58.815 39.926 12.928 1.00 11.76 N ATOM 1251 CA VAL E 180 59.400 38.865 13.749 1.00 12.35 C ATOM 1252 C VAL E 180 58.667 38.737 15.078 1.00 13.60 C ATOM 1253 O VAL E 180 57.865 39.611 15.469 1.00 13.07 O ATOM 1254 CB VAL E 180 60.924 39.022 14.007 1.00 12.41 C ATOM 1255 CG1 VAL E 180 61.725 38.965 12.706 1.00 12.72 C ATOM 1256 CG2 VAL E 180 61.206 40.370 14.749 1.00 12.00 C ATOM 1257 N ASP E 181 58.937 37.626 15.782 1.00 13.86 N ATOM 1258 CA ASP E 181 58.390 37.463 17.124 1.00 14.75 C ATOM 1259 C ASP E 181 59.461 37.836 18.183 1.00 14.44 C ATOM 1260 O ASP E 181 60.552 38.372 17.829 1.00 14.05 O ATOM 1261 CB ASP E 181 57.837 36.026 17.274 1.00 15.55 C ATOM 1262 CG ASP E 181 58.910 34.975 17.220 1.00 19.75 C ATOM 1263 OD1 ASP E 181 60.113 35.275 17.416 1.00 15.55 O ATOM 1264 OD2 ASP E 181 58.604 33.763 17.028 1.00 19.90 O ATOM 1265 N SER E 182 59.190 37.557 19.460 1.00 15.75 N ATOM 1266 CA SER E 182 60.094 37.956 20.551 1.00 17.69 C ATOM 1267 C SER E 182 61.433 37.257 20.555 1.00 18.87 C ATOM 1268 O SER E 182 62.361 37.687 21.257 1.00 19.36 O ATOM 1269 CB SER E 182 59.432 37.775 21.955 1.00 20.16 C ATOM 1270 OG SER E 182 59.116 36.387 22.206 1.00 19.93 O ATOM 1271 N SER E 183 61.539 36.168 19.793 1.00 18.67 N ATOM 1272 CA SER E 183 62.785 35.429 19.639 1.00 18.20 C ATOM 1273 C SER E 183 63.518 35.814 18.363 1.00 18.48 C ATOM 1274 O SER E 183 64.511 35.146 17.965 1.00 18.29 O ATOM 1275 CB SER E 183 62.484 33.903 19.617 1.00 19.75 C ATOM 1276 OG ASER E 183 61.875 33.485 20.832 0.67 20.47 O ATOM 1277 OG BSER E 183 62.025 33.503 18.349 0.33 17.92 O ATOM 1278 N ASN E 184 63.070 36.902 17.701 1.00 17.66 N ATOM 1279 CA ASN E 184 63.623 37.289 16.393 1.00 17.51 C ATOM 1280 C ASN E 184 63.392 36.308 15.228 1.00 17.52 C ATOM 1281 O ASN E 184 64.076 36.388 14.210 1.00 17.50 O ATOM 1282 CB ASN E 184 65.126 37.596 16.503 1.00 17.64 C ATOM 1283 CG ASN E 184 65.379 38.943 17.183 1.00 21.43 C ATOM 1284 OD1 ASN E 184 64.486 39.781 17.212 1.00 21.41 O ATOM 1285 ND2 ASN E 184 66.589 39.149 17.701 1.00 20.83 N ATOM 1286 N GLN E 185 62.439 35.390 15.375 1.00 18.37 N ATOM 1287 CA GLN E 185 62.077 34.481 14.279 1.00 19.04 C ATOM 1288 C GLN E 185 61.042 35.153 13.401 1.00 17.35 C ATOM 1289 O GLN E 185 60.080 35.696 13.904 1.00 16.87 O ATOM 1290 CB GLN E 185 61.469 33.171 14.835 1.00 20.44 C ATOM 1291 CG GLN E 185 62.502 32.171 15.302 1.00 30.28 C ATOM 1292 CD GLN E 185 63.341 31.636 14.133 1.00 39.89 C ATOM 1293 OE1 GLN E 185 62.785 31.065 13.163 1.00 45.05 O ATOM 1294 NE2 GLN E 185 64.674 31.834 14.207 1.00 41.29 N ATOM 1295 N ARG E 186 61.226 35.089 12.087 1.00 16.06 N ATOM 1296 CA ARG E 186 60.252 35.588 11.146 1.00 17.19 C ATOM 1297 C ARG E 186 58.896 34.933 11.444 1.00 17.30 C ATOM 1298 O ARG E 186 58.847 33.702 11.644 1.00 17.83 O ATOM 1299 CB ARG E 186 60.729 35.192 9.752 1.00 17.69 C ATOM 1300 CG ARG E 186 59.804 35.472 8.654 1.00 20.05 C ATOM 1301 CD ARG E 186 60.312 34.902 7.308 1.00 20.57 C ATOM 1302 NE ARG E 186 59.128 34.832 6.521 1.00 19.96 N ATOM 1303 CZ ARG E 186 58.343 33.768 6.422 1.00 19.47 C ATOM 1304 NH1 ARG E 186 58.691 32.605 6.953 1.00 19.14 N ATOM 1305 NH2 ARG E 186 57.223 33.875 5.740 1.00 19.37 N ATOM 1306 N ALA E 187 57.819 35.713 11.471 1.00 16.72 N ATOM 1307 CA ALA E 187 56.461 35.153 11.572 1.00 16.98 C ATOM 1308 C ALA E 187 56.149 34.417 10.269 1.00 17.95 C ATOM 1309 O ALA E 187 56.461 34.892 9.176 1.00 16.44 O ATOM 1310 CB ALA E 187 55.415 36.254 11.771 1.00 17.30 C ATOM 1311 N SER E 188 55.471 33.269 10.380 1.00 18.92 N ATOM 1312 CA SER E 188 55.213 32.477 9.160 1.00 20.04 C ATOM 1313 C SER E 188 54.424 33.233 8.085 1.00 19.05 C ATOM 1314 O SER E 188 54.640 32.983 6.902 1.00 21.46 O ATOM 1315 CB SER E 188 54.505 31.160 9.538 1.00 19.71 C ATOM 1316 OG SER E 188 53.202 31.500 10.015 1.00 24.41 O ATOM 1317 N PHE E 189 53.538 34.166 8.467 1.00 18.20 N ATOM 1318 CA PHE E 189 52.741 34.958 7.523 1.00 17.53 C ATOM 1319 C PHE E 189 53.550 36.110 6.872 1.00 17.56 C ATOM 1320 O PHE E 189 53.109 36.693 5.899 1.00 17.52 O ATOM 1321 CB PHE E 189 51.462 35.567 8.197 1.00 17.48 C ATOM 1322 CG PHE E 189 51.762 36.472 9.407 1.00 18.46 C ATOM 1323 CD1 PHE E 189 52.229 37.786 9.219 1.00 18.54 C ATOM 1324 CD2 PHE E 189 51.613 35.988 10.734 1.00 19.19 C ATOM 1325 CE1 PHE E 189 52.582 38.590 10.342 1.00 14.19 C ATOM 1326 CE2 PHE E 189 51.922 36.796 11.870 1.00 19.14 C ATOM 1327 CZ PHE E 189 52.418 38.088 11.673 1.00 17.26 C ATOM 1328 N SER E 190 54.702 36.484 7.430 1.00 17.57 N ATOM 1329 CA SER E 190 55.415 37.699 6.955 1.00 16.32 C ATOM 1330 C SER E 190 55.863 37.578 5.482 1.00 16.54 C ATOM 1331 O SER E 190 56.544 36.608 5.129 1.00 17.07 O ATOM 1332 CB SER E 190 56.618 37.980 7.885 1.00 16.38 C ATOM 1333 OG SER E 190 57.246 39.213 7.526 1.00 17.06 O ATOM 1334 N SER E 191 55.465 38.529 4.632 1.00 15.66 N ATOM 1335 CA SER E 191 55.878 38.535 3.205 1.00 16.30 C ATOM 1336 C SER E 191 57.381 38.535 3.028 1.00 16.67 C ATOM 1337 O SER E 191 58.136 38.916 3.946 1.00 17.49 O ATOM 1338 CB SER E 191 55.277 39.702 2.423 1.00 16.17 C ATOM 1339 OG SER E 191 53.915 39.500 2.140 1.00 15.89 O ATOM 1340 N VAL E 192 57.826 38.079 1.854 1.00 17.12 N ATOM 1341 CA VAL E 192 59.238 37.850 1.569 1.00 16.87 C ATOM 1342 C VAL E 192 59.593 38.380 0.189 1.00 17.08 C ATOM 1343 O VAL E 192 58.706 38.639 -0.647 1.00 16.78 O ATOM 1344 CB VAL E 192 59.658 36.344 1.686 1.00 17.36 C ATOM 1345 CG1 VAL E 192 59.535 35.878 3.144 1.00 16.30 C ATOM 1346 CG2 VAL E 192 58.847 35.451 0.698 1.00 16.27 C ATOM 1347 N GLY E 193 60.882 38.591 -0.023 1.00 17.40 N ATOM 1348 CA GLY E 193 61.351 39.062 -1.326 1.00 19.13 C ATOM 1349 C GLY E 193 62.455 40.098 -1.204 1.00 20.29 C ATOM 1350 O GLY E 193 62.741 40.601 -0.112 1.00 19.69 O ATOM 1351 N PRO E 194 63.100 40.435 -2.325 1.00 20.46 N ATOM 1352 CA PRO E 194 64.216 41.380 -2.276 1.00 20.09 C ATOM 1353 C PRO E 194 63.746 42.801 -1.844 1.00 18.87 C ATOM 1354 O PRO E 194 64.579 43.567 -1.377 1.00 19.43 O ATOM 1355 CB PRO E 194 64.770 41.342 -3.707 1.00 20.50 C ATOM 1356 CG PRO E 194 63.658 40.837 -4.565 1.00 21.29 C ATOM 1357 CD PRO E 194 62.838 39.927 -3.692 1.00 21.48 C ATOM 1358 N GLU E 195 62.459 43.109 -1.953 1.00 17.39 N ATOM 1359 CA GLU E 195 61.911 44.407 -1.480 1.00 16.95 C ATOM 1360 C GLU E 195 61.741 44.518 0.031 1.00 15.89 C ATOM 1361 O GLU E 195 61.455 45.624 0.559 1.00 16.60 O ATOM 1362 CB GLU E 195 60.595 44.724 -2.172 1.00 16.72 C ATOM 1363 CG GLU E 195 60.704 44.627 -3.711 1.00 19.89 C ATOM 1364 CD GLU E 195 60.403 43.229 -4.256 1.00 24.43 C ATOM 1365 OE1 GLU E 195 60.267 42.249 -3.466 1.00 21.06 O ATOM 1366 OE2 GLU E 195 60.319 43.116 -5.507 1.00 25.96 O ATOM 1367 N LEU E 196 61.909 43.410 0.749 1.00 14.93 N ATOM 1368 CA LEU E 196 61.756 43.457 2.201 1.00 15.52 C ATOM 1369 C LEU E 196 62.954 44.239 2.722 1.00 15.84 C ATOM 1370 O LEU E 196 64.090 43.901 2.378 1.00 15.78 O ATOM 1371 CB LEU E 196 61.758 42.031 2.754 1.00 16.37 C ATOM 1372 CG LEU E 196 61.662 41.761 4.235 1.00 19.49 C ATOM 1373 CD1 LEU E 196 60.379 42.474 4.806 1.00 18.26 C ATOM 1374 CD2 LEU E 196 61.592 40.224 4.414 1.00 16.62 C ATOM 1375 N ASP E 197 62.735 45.269 3.550 1.00 13.35 N ATOM 1376 CA ASP E 197 63.844 46.130 3.950 1.00 13.46 C ATOM 1377 C ASP E 197 64.349 45.818 5.362 1.00 12.53 C ATOM 1378 O ASP E 197 65.519 45.478 5.559 1.00 13.47 O ATOM 1379 CB ASP E 197 63.415 47.595 3.836 1.00 13.73 C ATOM 1380 CG ASP E 197 64.582 48.562 3.905 1.00 16.24 C ATOM 1381 OD1 ASP E 197 65.767 48.112 3.893 1.00 16.17 O ATOM 1382 OD2 ASP E 197 64.401 49.815 3.991 1.00 17.69 O ATOM 1383 N VAL E 198 63.470 45.930 6.365 1.00 12.28 N ATOM 1384 CA VAL E 198 63.843 45.659 7.760 1.00 11.78 C ATOM 1385 C VAL E 198 62.696 44.903 8.428 1.00 11.11 C ATOM 1386 O VAL E 198 61.575 44.834 7.881 1.00 12.41 O ATOM 1387 CB VAL E 198 64.078 46.983 8.552 1.00 12.46 C ATOM 1388 CG1 VAL E 198 65.235 47.795 7.896 1.00 12.32 C ATOM 1389 CG2 VAL E 198 62.760 47.815 8.637 1.00 11.31 C ATOM 1390 N MET E 199 62.961 44.363 9.592 1.00 11.17 N ATOM 1391 CA MET E 199 61.949 43.649 10.376 1.00 11.83 C ATOM 1392 C MET E 199 61.667 44.395 11.705 1.00 10.96 C ATOM 1393 O MET E 199 62.554 45.058 12.254 1.00 9.95 O ATOM 1394 CB MET E 199 62.480 42.276 10.800 1.00 11.99 C ATOM 1395 CG MET E 199 62.980 41.342 9.633 1.00 13.38 C ATOM 1396 SD MET E 199 61.730 41.044 8.375 1.00 14.99 S ATOM 1397 CE MET E 199 60.909 39.471 9.089 1.00 13.85 C ATOM 1398 N ALA E 200 60.487 44.165 12.274 1.00 10.11 N ATOM 1399 CA ALA E 200 60.208 44.663 13.626 1.00 10.30 C ATOM 1400 C ALA E 200 59.207 43.707 14.269 1.00 10.42 C ATOM 1401 O ALA E 200 58.665 42.835 13.566 1.00 9.76 O ATOM 1402 CB ALA E 200 59.643 46.083 13.552 1.00 10.21 C ATOM 1403 N PRO E 201 58.984 43.812 15.578 1.00 10.52 N ATOM 1404 CA PRO E 201 58.031 42.890 16.242 1.00 10.12 C ATOM 1405 C PRO E 201 56.620 42.961 15.665 1.00 10.87 C ATOM 1406 O PRO E 201 56.071 44.060 15.578 1.00 10.16 O ATOM 1407 CB PRO E 201 58.024 43.389 17.675 1.00 10.69 C ATOM 1408 CG PRO E 201 59.480 43.905 17.868 1.00 10.77 C ATOM 1409 CD PRO E 201 59.680 44.708 16.547 1.00 10.18 C ATOM 1410 N GLY E 202 56.014 41.809 15.327 1.00 9.58 N ATOM 1411 CA GLY E 202 54.669 41.832 14.759 1.00 10.21 C ATOM 1412 C GLY E 202 53.855 40.617 15.206 1.00 12.02 C ATOM 1413 O GLY E 202 52.842 40.303 14.581 1.00 13.03 O ATOM 1414 N VAL E 203 54.293 39.979 16.292 1.00 11.54 N ATOM 1415 CA VAL E 203 53.533 38.864 16.892 1.00 12.49 C ATOM 1416 C VAL E 203 53.084 39.188 18.313 1.00 12.51 C ATOM 1417 O VAL E 203 53.911 39.508 19.161 1.00 12.63 O ATOM 1418 CB VAL E 203 54.389 37.561 16.863 1.00 13.83 C ATOM 1419 CG1 VAL E 203 53.639 36.369 17.498 1.00 12.58 C ATOM 1420 CG2 VAL E 203 54.802 37.256 15.403 1.00 13.60 C ATOM 1421 N SER E 204 51.773 39.077 18.567 1.00 12.23 N ATOM 1422 CA SER E 204 51.218 39.249 19.928 1.00 12.09 C ATOM 1423 C SER E 204 51.637 40.656 20.489 1.00 11.50 C ATOM 1424 O SER E 204 52.179 40.805 21.602 1.00 11.84 O ATOM 1425 CB SER E 204 51.690 38.115 20.836 1.00 14.48 C ATOM 1426 OG ASER E 204 51.192 36.868 20.313 0.67 14.49 O ATOM 1427 OG BSER E 204 51.142 38.268 22.114 0.33 13.32 O ATOM 1428 N ILE E 205 51.324 41.672 19.709 1.00 10.51 N ATOM 1429 CA ILE E 205 51.702 43.053 20.062 1.00 10.54 C ATOM 1430 C ILE E 205 50.538 43.723 20.790 1.00 9.92 C ATOM 1431 O ILE E 205 49.462 43.958 20.204 1.00 10.32 O ATOM 1432 CB ILE E 205 52.022 43.867 18.771 1.00 9.35 C ATOM 1433 CG1 ILE E 205 53.139 43.174 17.927 1.00 9.43 C ATOM 1434 CG2 ILE E 205 52.425 45.356 19.085 1.00 9.22 C ATOM 1435 CD1 ILE E 205 54.486 42.883 18.722 1.00 9.69 C ATOM 1436 N GLN E 206 50.772 44.080 22.048 1.00 10.16 N ATOM 1437 CA GLN E 206 49.743 44.745 22.846 1.00 10.15 C ATOM 1438 C GLN E 206 49.730 46.228 22.520 1.00 11.00 C ATOM 1439 O GLN E 206 50.809 46.867 22.437 1.00 9.77 O ATOM 1440 CB GLN E 206 50.021 44.593 24.353 1.00 11.06 C ATOM 1441 CG GLN E 206 49.722 43.211 24.878 1.00 13.15 C ATOM 1442 CD GLN E 206 48.206 42.970 25.074 1.00 15.30 C ATOM 1443 OE1 GLN E 206 47.385 43.900 24.953 1.00 14.29 O ATOM 1444 NE2 GLN E 206 47.847 41.720 25.369 1.00 18.42 N ATOM 1445 N SER E 207 48.525 46.752 22.315 1.00 10.67 N ATOM 1446 CA SER E 207 48.343 48.190 22.035 1.00 11.01 C ATOM 1447 C SER E 207 46.912 48.659 22.358 1.00 10.83 C ATOM 1448 O SER E 207 46.073 47.871 22.817 1.00 11.11 O ATOM 1449 CB SER E 207 48.722 48.519 20.569 1.00 10.99 C ATOM 1450 OG SER E 207 48.774 49.911 20.365 1.00 11.03 O ATOM 1451 N THR E 208 46.653 49.935 22.089 1.00 10.71 N ATOM 1452 CA THR E 208 45.351 50.588 22.349 1.00 11.20 C ATOM 1453 C THR E 208 44.281 50.123 21.368 1.00 11.50 C ATOM 1454 O THR E 208 44.571 49.946 20.204 1.00 11.33 O ATOM 1455 CB THR E 208 45.525 52.103 22.201 1.00 11.26 C ATOM 1456 OG1 THR E 208 46.295 52.374 21.005 1.00 10.90 O ATOM 1457 CG2 THR E 208 46.393 52.642 23.379 1.00 9.49 C ATOM 1458 N LEU E 209 43.074 49.899 21.869 1.00 12.69 N ATOM 1459 CA LEU E 209 41.885 49.578 21.020 1.00 12.68 C ATOM 1460 C LEU E 209 40.733 50.532 21.376 1.00 12.60 C ATOM 1461 O LEU E 209 40.676 51.048 22.498 1.00 12.58 O ATOM 1462 CB LEU E 209 41.485 48.108 21.229 1.00 12.56 C ATOM 1463 CG LEU E 209 42.492 47.093 20.669 1.00 12.26 C ATOM 1464 CD1 LEU E 209 42.158 45.654 21.161 1.00 14.49 C ATOM 1465 CD2 LEU E 209 42.586 47.151 19.135 1.00 11.72 C ATOM 1466 N PRO E 210 39.818 50.796 20.447 1.00 12.92 N ATOM 1467 CA PRO E 210 38.757 51.777 20.707 1.00 13.76 C ATOM 1468 C PRO E 210 37.890 51.430 21.951 1.00 14.55 C ATOM 1469 O PRO E 210 37.756 50.241 22.337 1.00 13.78 O ATOM 1470 CB PRO E 210 37.935 51.754 19.405 1.00 15.54 C ATOM 1471 CG PRO E 210 38.975 51.264 18.329 1.00 12.69 C ATOM 1472 CD PRO E 210 39.731 50.197 19.095 1.00 12.37 C ATOM 1473 N GLY E 211 37.306 52.470 22.539 1.00 14.58 N ATOM 1474 CA GLY E 211 36.495 52.324 23.742 1.00 15.31 C ATOM 1475 C GLY E 211 37.352 52.043 24.972 1.00 14.18 C ATOM 1476 O GLY E 211 36.962 51.234 25.838 1.00 14.38 O ATOM 1477 N ASN E 212 38.535 52.662 25.022 1.00 14.36 N ATOM 1478 CA ASN E 212 39.422 52.524 26.183 1.00 14.24 C ATOM 1479 C ASN E 212 39.772 51.084 26.497 1.00 14.20 C ATOM 1480 O ASN E 212 39.670 50.616 27.658 1.00 14.44 O ATOM 1481 CB ASN E 212 38.772 53.177 27.411 1.00 15.75 C ATOM 1482 CG ASN E 212 39.747 53.292 28.578 1.00 17.03 C ATOM 1483 OD1 ASN E 212 40.959 53.305 28.372 1.00 17.97 O ATOM 1484 ND2 ASN E 212 39.220 53.319 29.795 1.00 20.92 N ATOM 1485 N LYS E 213 40.182 50.340 25.474 1.00 12.74 N ATOM 1486 CA LYS E 213 40.584 48.947 25.647 1.00 12.40 C ATOM 1487 C LYS E 213 42.041 48.775 25.180 1.00 11.35 C ATOM 1488 O LYS E 213 42.669 49.738 24.696 1.00 11.22 O ATOM 1489 CB LYS E 213 39.661 48.007 24.796 1.00 14.01 C ATOM 1490 CG LYS E 213 38.131 48.085 25.169 1.00 15.59 C ATOM 1491 CD LYS E 213 37.864 47.478 26.565 1.00 20.17 C ATOM 1492 CE LYS E 213 36.347 47.374 26.967 1.00 22.40 C ATOM 1493 NZ ALYS E 213 36.252 46.627 28.307 0.50 18.06 N ATOM 1494 NZ BLYS E 213 35.647 48.689 26.865 0.50 20.79 N ATOM 1495 N TYR E 214 42.589 47.581 25.383 1.00 11.66 N ATOM 1496 CA TYR E 214 43.926 47.186 24.898 1.00 11.61 C ATOM 1497 C TYR E 214 43.821 45.764 24.384 1.00 11.80 C ATOM 1498 O TYR E 214 42.931 45.012 24.816 1.00 13.19 O ATOM 1499 CB TYR E 214 44.976 47.212 26.055 1.00 10.50 C ATOM 1500 CG TYR E 214 45.029 48.577 26.696 1.00 10.95 C ATOM 1501 CD1 TYR E 214 45.876 49.582 26.161 1.00 10.76 C ATOM 1502 CD2 TYR E 214 44.168 48.916 27.784 1.00 11.88 C ATOM 1503 CE1 TYR E 214 45.930 50.887 26.745 1.00 9.61 C ATOM 1504 CE2 TYR E 214 44.203 50.231 28.353 1.00 12.81 C ATOM 1505 CZ TYR E 214 45.081 51.189 27.818 1.00 11.48 C ATOM 1506 OH TYR E 214 45.101 52.465 28.368 1.00 10.95 O ATOM 1507 N GLY E 215 44.726 45.342 23.515 1.00 12.27 N ATOM 1508 CA GLY E 215 44.678 43.957 23.091 1.00 11.49 C ATOM 1509 C GLY E 215 45.888 43.622 22.238 1.00 11.01 C ATOM 1510 O GLY E 215 46.514 44.524 21.676 1.00 10.98 O ATOM 1511 N ALA E 216 46.182 42.329 22.126 1.00 11.29 N ATOM 1512 CA ALA E 216 47.305 41.819 21.330 1.00 11.87 C ATOM 1513 C ALA E 216 46.836 41.475 19.895 1.00 13.06 C ATOM 1514 O ALA E 216 45.909 40.660 19.722 1.00 12.08 O ATOM 1515 CB ALA E 216 47.860 40.517 22.004 1.00 11.65 C ATOM 1516 N TYR E 217 47.478 42.095 18.894 1.00 13.39 N ATOM 1517 CA TYR E 217 47.202 41.822 17.472 1.00 13.10 C ATOM 1518 C TYR E 217 48.503 41.298 16.840 1.00 13.74 C ATOM 1519 O TYR E 217 49.614 41.473 17.406 1.00 12.19 O ATOM 1520 CB TYR E 217 46.767 43.107 16.727 1.00 12.58 C ATOM 1521 CG TYR E 217 45.327 43.545 16.821 1.00 13.80 C ATOM 1522 CD1 TYR E 217 44.425 42.911 17.672 1.00 13.34 C ATOM 1523 CD2 TYR E 217 44.865 44.602 16.042 1.00 13.66 C ATOM 1524 CE1 TYR E 217 43.084 43.327 17.741 1.00 13.80 C ATOM 1525 CE2 TYR E 217 43.521 45.028 16.090 1.00 15.40 C ATOM 1526 CZ TYR E 217 42.644 44.386 16.953 1.00 14.01 C ATOM 1527 OH TYR E 217 41.314 44.756 17.019 1.00 16.23 O ATOM 1528 N ASN E 218 48.350 40.631 15.681 1.00 13.00 N ATOM 1529 CA ASN E 218 49.469 40.083 14.891 1.00 13.41 C ATOM 1530 C ASN E 218 49.425 40.701 13.519 1.00 12.17 C ATOM 1531 O ASN E 218 48.351 41.041 13.031 1.00 12.69 O ATOM 1532 CB ASN E 218 49.343 38.549 14.716 1.00 14.07 C ATOM 1533 CG ASN E 218 49.218 37.825 16.053 1.00 16.27 C ATOM 1534 OD1 ASN E 218 50.127 37.837 16.864 1.00 16.61 O ATOM 1535 ND2 ASN E 218 48.056 37.212 16.289 1.00 23.38 N ATOM 1536 N GLY E 219 50.575 40.833 12.885 1.00 12.33 N ATOM 1537 CA GLY E 219 50.592 41.260 11.493 1.00 12.21 C ATOM 1538 C GLY E 219 51.793 42.100 11.126 1.00 11.75 C ATOM 1539 O GLY E 219 52.461 42.703 12.008 1.00 10.85 O ATOM 1540 N THR E 220 52.094 42.182 9.831 1.00 11.33 N ATOM 1541 CA THR E 220 53.096 43.170 9.457 1.00 11.43 C ATOM 1542 C THR E 220 52.540 44.578 9.723 1.00 10.61 C ATOM 1543 O THR E 220 53.312 45.523 9.805 1.00 11.38 O ATOM 1544 CB THR E 220 53.593 43.056 7.982 1.00 11.68 C ATOM 1545 OG1 THR E 220 52.499 43.022 7.049 1.00 11.05 O ATOM 1546 CG2 THR E 220 54.440 41.780 7.797 1.00 11.17 C ATOM 1547 N SER E 221 51.215 44.713 9.843 1.00 10.93 N ATOM 1548 CA SER E 221 50.630 45.986 10.333 1.00 10.35 C ATOM 1549 C SER E 221 51.197 46.448 11.690 1.00 10.61 C ATOM 1550 O SER E 221 51.233 47.661 11.973 1.00 9.60 O ATOM 1551 CB SER E 221 49.133 45.895 10.578 1.00 9.94 C ATOM 1552 OG SER E 221 48.387 45.999 9.385 1.00 11.54 O ATOM 1553 N MET E 222 51.504 45.483 12.555 1.00 10.81 N ATOM 1554 CA MET E 222 52.031 45.765 13.889 1.00 10.17 C ATOM 1555 C MET E 222 53.526 46.072 13.855 1.00 10.84 C ATOM 1556 O MET E 222 54.023 46.776 14.735 1.00 10.16 O ATOM 1557 CB MET E 222 51.773 44.576 14.854 1.00 9.88 C ATOM 1558 CG MET E 222 50.276 44.510 15.364 1.00 10.49 C ATOM 1559 SD MET E 222 49.012 44.285 14.037 1.00 12.29 S ATOM 1560 CE MET E 222 48.282 45.895 14.002 1.00 9.79 C ATOM 1561 N ALA E 223 54.235 45.545 12.853 1.00 10.17 N ATOM 1562 CA ALA E 223 55.678 45.735 12.754 1.00 10.25 C ATOM 1563 C ALA E 223 55.981 47.160 12.239 1.00 10.26 C ATOM 1564 O ALA E 223 56.843 47.842 12.760 1.00 10.09 O ATOM 1565 CB ALA E 223 56.285 44.677 11.789 1.00 10.72 C ATOM 1566 N SER E 224 55.250 47.571 11.202 1.00 10.23 N ATOM 1567 CA SER E 224 55.441 48.884 10.544 1.00 9.72 C ATOM 1568 C SER E 224 55.499 50.077 11.548 1.00 10.30 C ATOM 1569 O SER E 224 56.418 50.901 11.459 1.00 10.59 O ATOM 1570 CB SER E 224 54.375 49.117 9.456 1.00 10.44 C ATOM 1571 OG SER E 224 54.531 50.363 8.755 1.00 11.06 O ATOM 1572 N PRO E 225 54.534 50.219 12.462 1.00 9.27 N ATOM 1573 CA PRO E 225 54.573 51.380 13.376 1.00 7.95 C ATOM 1574 C PRO E 225 55.750 51.323 14.381 1.00 9.50 C ATOM 1575 O PRO E 225 56.090 52.398 14.887 1.00 9.95 O ATOM 1576 CB PRO E 225 53.201 51.338 14.102 1.00 8.85 C ATOM 1577 CG PRO E 225 52.799 49.817 14.006 1.00 7.70 C ATOM 1578 CD PRO E 225 53.292 49.439 12.618 1.00 8.91 C ATOM 1579 N HIS E 226 56.370 50.165 14.646 1.00 8.58 N ATOM 1580 CA HIS E 226 57.625 50.213 15.428 1.00 9.03 C ATOM 1581 C HIS E 226 58.664 51.058 14.663 1.00 9.06 C ATOM 1582 O HIS E 226 59.409 51.812 15.279 1.00 8.76 O ATOM 1583 CB HIS E 226 58.210 48.815 15.700 1.00 8.17 C ATOM 1584 CG HIS E 226 57.423 48.027 16.718 1.00 10.67 C ATOM 1585 ND1 HIS E 226 56.304 47.268 16.389 1.00 8.36 N ATOM 1586 CD2 HIS E 226 57.615 47.859 18.047 1.00 10.76 C ATOM 1587 CE1 HIS E 226 55.841 46.683 17.491 1.00 9.09 C ATOM 1588 NE2 HIS E 226 56.614 47.023 18.508 1.00 9.42 N ATOM 1589 N VAL E 227 58.713 50.872 13.337 1.00 9.62 N ATOM 1590 CA VAL E 227 59.707 51.550 12.507 1.00 9.48 C ATOM 1591 C VAL E 227 59.302 53.029 12.296 1.00 9.71 C ATOM 1592 O VAL E 227 60.168 53.913 12.318 1.00 9.73 O ATOM 1593 CB VAL E 227 59.863 50.804 11.156 1.00 9.91 C ATOM 1594 CG1 VAL E 227 60.851 51.516 10.192 1.00 9.70 C ATOM 1595 CG2 VAL E 227 60.329 49.333 11.420 1.00 10.87 C ATOM 1596 N ALA E 228 58.010 53.301 12.109 1.00 9.03 N ATOM 1597 CA ALA E 228 57.578 54.701 11.996 1.00 8.98 C ATOM 1598 C ALA E 228 57.866 55.427 13.327 1.00 9.73 C ATOM 1599 O ALA E 228 58.338 56.573 13.331 1.00 9.01 O ATOM 1600 CB ALA E 228 56.092 54.776 11.668 1.00 9.25 C ATOM 1601 N GLY E 229 57.521 54.800 14.463 1.00 8.97 N ATOM 1602 CA GLY E 229 57.858 55.387 15.782 1.00 9.17 C ATOM 1603 C GLY E 229 59.376 55.560 15.919 1.00 10.15 C ATOM 1604 O GLY E 229 59.858 56.592 16.454 1.00 9.24 O ATOM 1605 N ALA E 230 60.163 54.589 15.446 1.00 8.30 N ATOM 1606 CA ALA E 230 61.635 54.726 15.557 1.00 9.34 C ATOM 1607 C ALA E 230 62.118 55.949 14.756 1.00 9.48 C ATOM 1608 O ALA E 230 63.017 56.664 15.176 1.00 9.68 O ATOM 1609 CB ALA E 230 62.346 53.481 15.057 1.00 9.74 C ATOM 1610 N ALA E 231 61.545 56.144 13.587 1.00 9.15 N ATOM 1611 CA ALA E 231 61.913 57.286 12.747 1.00 8.61 C ATOM 1612 C ALA E 231 61.617 58.586 13.514 1.00 9.81 C ATOM 1613 O ALA E 231 62.396 59.574 13.422 1.00 9.82 O ATOM 1614 CB ALA E 231 61.068 57.252 11.416 1.00 8.77 C ATOM 1615 N ALA E 232 60.456 58.651 14.186 1.00 8.91 N ATOM 1616 CA ALA E 232 60.161 59.837 14.993 1.00 9.22 C ATOM 1617 C ALA E 232 61.155 60.021 16.160 1.00 9.48 C ATOM 1618 O ALA E 232 61.541 61.155 16.469 1.00 9.17 O ATOM 1619 CB ALA E 232 58.695 59.754 15.512 1.00 9.67 C ATOM 1620 N LEU E 233 61.587 58.938 16.832 1.00 8.76 N ATOM 1621 CA LEU E 233 62.591 59.105 17.884 1.00 9.55 C ATOM 1622 C LEU E 233 63.876 59.686 17.307 1.00 9.28 C ATOM 1623 O LEU E 233 64.486 60.582 17.890 1.00 10.05 O ATOM 1624 CB LEU E 233 62.934 57.756 18.527 1.00 9.44 C ATOM 1625 CG LEU E 233 61.808 57.124 19.383 1.00 8.77 C ATOM 1626 CD1 LEU E 233 62.314 55.729 19.904 1.00 7.27 C ATOM 1627 CD2 LEU E 233 61.426 58.067 20.561 1.00 8.74 C ATOM 1628 N ILE E 234 64.316 59.112 16.192 1.00 9.34 N ATOM 1629 CA ILE E 234 65.559 59.550 15.561 1.00 9.19 C ATOM 1630 C ILE E 234 65.478 61.051 15.185 1.00 9.95 C ATOM 1631 O ILE E 234 66.426 61.817 15.458 1.00 9.77 O ATOM 1632 CB ILE E 234 65.848 58.695 14.296 1.00 7.62 C ATOM 1633 CG1 ILE E 234 66.132 57.276 14.739 1.00 7.28 C ATOM 1634 CG2 ILE E 234 67.046 59.325 13.474 1.00 10.13 C ATOM 1635 CD1 ILE E 234 66.048 56.223 13.568 1.00 9.44 C ATOM 1636 N LEU E 235 64.382 61.451 14.552 1.00 9.62 N ATOM 1637 CA LEU E 235 64.202 62.861 14.204 1.00 10.50 C ATOM 1638 C LEU E 235 64.130 63.781 15.436 1.00 11.74 C ATOM 1639 O LEU E 235 64.577 64.937 15.366 1.00 12.19 O ATOM 1640 CB LEU E 235 62.933 63.051 13.346 1.00 9.74 C ATOM 1641 CG LEU E 235 63.082 62.575 11.894 1.00 9.86 C ATOM 1642 CD1 LEU E 235 61.684 62.434 11.215 1.00 11.15 C ATOM 1643 CD2 LEU E 235 64.030 63.509 11.049 1.00 11.01 C ATOM 1644 N SER E 236 63.580 63.305 16.552 1.00 11.37 N ATOM 1645 CA SER E 236 63.557 64.163 17.779 1.00 11.39 C ATOM 1646 C SER E 236 64.954 64.365 18.341 1.00 11.88 C ATOM 1647 O SER E 236 65.258 65.443 18.919 1.00 12.35 O ATOM 1648 CB SER E 236 62.541 63.659 18.851 1.00 10.56 C ATOM 1649 OG SER E 236 62.972 62.460 19.489 1.00 10.51 O ATOM 1650 N LYS E 237 65.834 63.389 18.131 1.00 10.58 N ATOM 1651 CA LYS E 237 67.240 63.558 18.524 1.00 11.69 C ATOM 1652 C LYS E 237 68.072 64.316 17.458 1.00 12.38 C ATOM 1653 O LYS E 237 69.047 65.013 17.818 1.00 13.66 O ATOM 1654 CB LYS E 237 67.904 62.207 18.800 1.00 10.27 C ATOM 1655 CG LYS E 237 69.325 62.349 19.408 1.00 9.52 C ATOM 1656 CD LYS E 237 69.899 61.016 19.755 1.00 10.65 C ATOM 1657 CE LYS E 237 71.342 61.164 20.356 1.00 14.24 C ATOM 1658 NZ LYS E 237 71.971 59.828 20.553 1.00 14.65 N ATOM 1659 N HIS E 238 67.716 64.176 16.178 1.00 11.49 N ATOM 1660 CA HIS E 238 68.455 64.819 15.070 1.00 11.08 C ATOM 1661 C HIS E 238 67.466 65.515 14.158 1.00 12.29 C ATOM 1662 O HIS E 238 67.152 64.997 13.099 1.00 11.92 O ATOM 1663 CB HIS E 238 69.257 63.723 14.267 1.00 10.62 C ATOM 1664 CG HIS E 238 70.259 62.969 15.102 1.00 11.59 C ATOM 1665 ND1 HIS E 238 71.526 63.459 15.364 1.00 11.42 N ATOM 1666 CD2 HIS E 238 70.193 61.746 15.702 1.00 9.94 C ATOM 1667 CE1 HIS E 238 72.197 62.571 16.096 1.00 11.90 C ATOM 1668 NE2 HIS E 238 71.402 61.541 16.338 1.00 11.75 N ATOM 1669 N PRO E 239 66.901 66.650 14.586 1.00 14.05 N ATOM 1670 CA PRO E 239 65.775 67.262 13.854 1.00 15.22 C ATOM 1671 C PRO E 239 66.158 67.767 12.457 1.00 15.58 C ATOM 1672 O PRO E 239 65.285 68.024 11.674 1.00 17.30 O ATOM 1673 CB PRO E 239 65.307 68.436 14.760 1.00 15.64 C ATOM 1674 CG PRO E 239 66.178 68.449 15.913 1.00 17.94 C ATOM 1675 CD PRO E 239 67.233 67.370 15.833 1.00 14.99 C ATOM 1676 N ASN E 240 67.431 67.875 12.151 1.00 14.97 N ATOM 1677 CA ASN E 240 67.814 68.272 10.780 1.00 15.88 C ATOM 1678 C AASN E 240 68.094 67.144 9.848 0.50 15.03 C ATOM 1679 C BASN E 240 68.470 67.133 9.970 0.50 15.46 C ATOM 1680 O AASN E 240 68.368 67.406 8.673 0.50 14.89 O ATOM 1681 O BASN E 240 69.230 67.345 8.992 0.50 14.55 O ATOM 1682 CB AASN E 240 69.144 69.062 10.931 0.50 15.11 C ATOM 1683 CB BASN E 240 68.519 69.636 10.688 0.50 16.86 C ATOM 1684 CG AASN E 240 68.875 70.530 11.154 0.50 15.63 C ATOM 1685 CG BASN E 240 69.768 69.626 11.440 0.50 15.35 C ATOM 1686 OD1AASN E 240 67.792 70.970 10.827 0.50 14.65 O ATOM 1687 OD1BASN E 240 70.106 68.595 11.955 0.50 17.37 O ATOM 1688 ND2AASN E 240 69.823 71.278 11.727 0.50 12.57 N ATOM 1689 ND2BASN E 240 70.456 70.765 11.552 0.50 16.04 N ATOM 1690 N TRP E 241 68.134 65.904 10.370 1.00 13.80 N ATOM 1691 CA TRP E 241 68.404 64.747 9.500 1.00 14.08 C ATOM 1692 C TRP E 241 67.289 64.679 8.487 1.00 13.55 C ATOM 1693 O TRP E 241 66.124 64.949 8.812 1.00 14.09 O ATOM 1694 CB TRP E 241 68.468 63.426 10.272 1.00 13.38 C ATOM 1695 CG TRP E 241 69.810 63.190 10.885 1.00 13.88 C ATOM 1696 CD1 TRP E 241 70.859 64.099 10.987 1.00 13.27 C ATOM 1697 CD2 TRP E 241 70.252 62.002 11.547 1.00 13.37 C ATOM 1698 NE1 TRP E 241 71.920 63.519 11.641 1.00 13.96 N ATOM 1699 CE2 TRP E 241 71.580 62.233 11.993 1.00 13.51 C ATOM 1700 CE3 TRP E 241 69.664 60.753 11.812 1.00 13.09 C ATOM 1701 CZ2 TRP E 241 72.309 61.286 12.688 1.00 12.36 C ATOM 1702 CZ3 TRP E 241 70.411 59.791 12.503 1.00 12.00 C ATOM 1703 CH2 TRP E 241 71.704 60.075 12.957 1.00 14.23 C ATOM 1704 N THR E 242 67.646 64.365 7.247 1.00 12.75 N ATOM 1705 CA THR E 242 66.654 64.230 6.195 1.00 12.07 C ATOM 1706 C THR E 242 66.015 62.874 6.303 1.00 10.87 C ATOM 1707 O THR E 242 66.527 61.980 6.990 1.00 11.13 O ATOM 1708 CB THR E 242 67.349 64.280 4.808 1.00 12.78 C ATOM 1709 OG1 THR E 242 68.304 63.214 4.750 1.00 13.57 O ATOM 1710 CG2 THR E 242 68.174 65.618 4.651 1.00 13.11 C ATOM 1711 N ASN E 243 64.927 62.686 5.581 1.00 10.96 N ATOM 1712 CA ASN E 243 64.363 61.327 5.472 1.00 12.33 C ATOM 1713 C ASN E 243 65.378 60.317 4.910 1.00 11.74 C ATOM 1714 O ASN E 243 65.446 59.162 5.385 1.00 11.86 O ATOM 1715 CB ASN E 243 63.047 61.325 4.663 1.00 10.41 C ATOM 1716 CG ASN E 243 63.183 61.887 3.239 1.00 13.28 C ATOM 1717 OD1 ASN E 243 64.115 62.635 2.889 1.00 12.10 O ATOM 1718 ND2 ASN E 243 62.221 61.522 2.405 1.00 12.18 N ATOM 1719 N THR E 244 66.193 60.739 3.930 1.00 11.88 N ATOM 1720 CA THR E 244 67.284 59.877 3.430 1.00 12.26 C ATOM 1721 C THR E 244 68.181 59.357 4.536 1.00 13.17 C ATOM 1722 O THR E 244 68.516 58.167 4.574 1.00 13.32 O ATOM 1723 CB THR E 244 68.187 60.723 2.481 1.00 13.56 C ATOM 1724 OG1 THR E 244 67.344 61.342 1.498 1.00 14.17 O ATOM 1725 CG2 THR E 244 69.175 59.803 1.732 1.00 16.43 C ATOM 1726 N GLN E 245 68.570 60.266 5.440 1.00 11.43 N ATOM 1727 CA GLN E 245 69.455 59.948 6.543 1.00 12.11 C ATOM 1728 C GLN E 245 68.768 59.087 7.602 1.00 11.94 C ATOM 1729 O GLN E 245 69.402 58.178 8.185 1.00 12.18 O ATOM 1730 CB GLN E 245 69.943 61.236 7.208 1.00 12.05 C ATOM 1731 CG AGLN E 245 70.739 61.050 8.470 0.50 10.52 C ATOM 1732 CG BGLN E 245 71.072 61.904 6.487 0.50 14.01 C ATOM 1733 CD AGLN E 245 71.986 60.159 8.339 0.50 12.87 C ATOM 1734 CD BGLN E 245 71.219 63.350 6.922 0.50 13.48 C ATOM 1735 OE1AGLN E 245 72.526 59.677 9.353 0.50 12.12 O ATOM 1736 NE2AGLN E 245 72.456 59.971 7.124 0.50 8.47 N ATOM 1737 NE2BGLN E 245 72.440 63.713 7.273 0.50 17.36 N ATOM 1738 N VAL E 246 67.504 59.398 7.882 1.00 11.96 N ATOM 1739 CA VAL E 246 66.736 58.570 8.840 1.00 11.95 C ATOM 1740 C VAL E 246 66.620 57.120 8.319 1.00 11.60 C ATOM 1741 O VAL E 246 66.906 56.167 9.063 1.00 12.34 O ATOM 1742 CB VAL E 246 65.331 59.158 9.157 1.00 10.71 C ATOM 1743 CG1 VAL E 246 64.548 58.207 10.086 1.00 11.33 C ATOM 1744 CG2 VAL E 246 65.506 60.559 9.896 1.00 10.43 C ATOM 1745 N ARG E 247 66.199 56.965 7.065 1.00 10.81 N ATOM 1746 CA ARG E 247 66.119 55.653 6.447 1.00 11.13 C ATOM 1747 C ARG E 247 67.458 54.940 6.484 1.00 11.50 C ATOM 1748 O ARG E 247 67.518 53.766 6.922 1.00 11.34 O ATOM 1749 CB ARG E 247 65.631 55.790 4.998 1.00 10.76 C ATOM 1750 CG ARG E 247 65.607 54.438 4.239 1.00 11.45 C ATOM 1751 CD ARG E 247 64.787 54.477 2.973 1.00 11.96 C ATOM 1752 NE ARG E 247 64.760 53.127 2.357 1.00 15.62 N ATOM 1753 CZ ARG E 247 63.947 52.796 1.337 1.00 17.62 C ATOM 1754 NH1 ARG E 247 63.128 53.703 0.790 1.00 14.54 N ATOM 1755 NH2 ARG E 247 63.977 51.555 0.856 1.00 17.41 N ATOM 1756 N SER E 248 68.526 55.596 6.008 1.00 11.88 N ATOM 1757 CA SER E 248 69.856 54.947 6.110 1.00 12.45 C ATOM 1758 C SER E 248 70.217 54.555 7.539 1.00 11.80 C ATOM 1759 O SER E 248 70.801 53.488 7.732 1.00 11.42 O ATOM 1760 CB SER E 248 71.054 55.777 5.529 1.00 12.55 C ATOM 1761 OG ASER E 248 70.820 56.194 4.205 0.67 14.69 O ATOM 1762 OG BSER E 248 71.160 57.055 6.052 0.33 11.89 O ATOM 1763 N SER E 249 69.917 55.412 8.532 1.00 11.39 N ATOM 1764 CA SER E 249 70.325 55.101 9.869 1.00 11.82 C ATOM 1765 C SER E 249 69.640 53.830 10.361 1.00 11.26 C ATOM 1766 O SER E 249 70.276 53.023 11.040 1.00 11.59 O ATOM 1767 CB SER E 249 70.075 56.262 10.860 1.00 11.79 C ATOM 1768 OG ASER E 249 70.615 57.463 10.337 0.33 12.96 O ATOM 1769 OG BSER E 249 68.702 56.428 11.155 0.67 10.43 O ATOM 1770 N LEU E 250 68.382 53.657 9.997 1.00 11.49 N ATOM 1771 CA LEU E 250 67.660 52.422 10.435 1.00 10.93 C ATOM 1772 C LEU E 250 68.185 51.184 9.697 1.00 11.43 C ATOM 1773 O LEU E 250 68.374 50.108 10.279 1.00 12.55 O ATOM 1774 CB LEU E 250 66.186 52.583 10.101 1.00 11.26 C ATOM 1775 CG LEU E 250 65.435 53.509 11.107 1.00 12.60 C ATOM 1776 CD1 LEU E 250 64.157 54.070 10.507 1.00 14.59 C ATOM 1777 CD2 LEU E 250 65.193 52.749 12.442 1.00 11.52 C ATOM 1778 N GLU E 251 68.394 51.323 8.392 1.00 11.50 N ATOM 1779 CA GLU E 251 68.926 50.196 7.594 1.00 11.16 C ATOM 1780 C GLU E 251 70.340 49.771 7.968 1.00 12.13 C ATOM 1781 O GLU E 251 70.659 48.577 7.964 1.00 11.79 O ATOM 1782 CB GLU E 251 68.891 50.545 6.093 1.00 11.49 C ATOM 1783 CG GLU E 251 67.474 50.631 5.556 1.00 11.68 C ATOM 1784 CD GLU E 251 67.407 51.278 4.172 1.00 16.82 C ATOM 1785 OE1 GLU E 251 68.402 51.910 3.729 1.00 18.55 O ATOM 1786 OE2 GLU E 251 66.324 51.172 3.547 1.00 16.07 O ATOM 1787 N ASN E 252 71.180 50.742 8.331 1.00 11.63 N ATOM 1788 CA ASN E 252 72.591 50.500 8.539 1.00 11.25 C ATOM 1789 C ASN E 252 72.934 50.002 9.937 1.00 12.07 C ATOM 1790 O ASN E 252 74.115 49.704 10.223 1.00 11.92 O ATOM 1791 CB ASN E 252 73.374 51.818 8.253 1.00 11.18 C ATOM 1792 CG ASN E 252 73.374 52.220 6.766 1.00 9.95 C ATOM 1793 OD1 ASN E 252 73.901 53.311 6.421 1.00 14.89 O ATOM 1794 ND2 ASN E 252 72.735 51.436 5.910 1.00 9.07 N ATOM 1795 N THR E 253 71.934 49.970 10.850 1.00 10.83 N ATOM 1796 CA THR E 253 72.210 49.590 12.235 1.00 11.60 C ATOM 1797 C THR E 253 71.308 48.443 12.724 1.00 10.94 C ATOM 1798 O THR E 253 71.240 48.206 13.921 1.00 12.16 O ATOM 1799 CB THR E 253 71.996 50.796 13.198 1.00 10.29 C ATOM 1800 OG1 THR E 253 70.630 51.261 13.051 1.00 11.44 O ATOM 1801 CG2 THR E 253 72.897 52.050 12.749 1.00 10.96 C ATOM 1802 N THR E 254 70.618 47.772 11.812 1.00 11.82 N ATOM 1803 CA THR E 254 69.871 46.574 12.168 1.00 11.30 C ATOM 1804 C THR E 254 70.743 45.495 12.822 1.00 11.81 C ATOM 1805 O THR E 254 71.957 45.396 12.583 1.00 13.00 O ATOM 1806 CB THR E 254 69.218 45.901 10.955 1.00 11.52 C ATOM 1807 OG1 THR E 254 70.244 45.695 9.951 1.00 12.20 O ATOM 1808 CG2 THR E 254 68.083 46.768 10.294 1.00 10.08 C ATOM 1809 N THR E 255 70.094 44.639 13.600 1.00 11.35 N ATOM 1810 CA THR E 255 70.727 43.389 14.027 1.00 12.64 C ATOM 1811 C THR E 255 70.439 42.369 12.934 1.00 13.83 C ATOM 1812 O THR E 255 69.283 42.024 12.702 1.00 12.43 O ATOM 1813 CB THR E 255 70.130 42.947 15.365 1.00 13.09 C ATOM 1814 OG1 THR E 255 70.569 43.860 16.376 1.00 13.37 O ATOM 1815 CG2 THR E 255 70.761 41.585 15.828 1.00 14.20 C ATOM 1816 N LYS E 256 71.481 41.892 12.239 1.00 15.44 N ATOM 1817 CA LYS E 256 71.242 40.980 11.105 1.00 16.21 C ATOM 1818 C LYS E 256 70.726 39.643 11.638 1.00 16.81 C ATOM 1819 O LYS E 256 71.171 39.168 12.701 1.00 16.64 O ATOM 1820 CB LYS E 256 72.515 40.802 10.221 1.00 18.26 C ATOM 1821 CG LYS E 256 72.923 42.129 9.432 1.00 16.25 C ATOM 1822 CD LYS E 256 72.410 42.149 7.983 1.00 17.91 C ATOM 1823 CE LYS E 256 72.578 43.575 7.342 1.00 17.52 C ATOM 1824 NZ LYS E 256 72.936 43.664 5.851 1.00 14.63 N ATOM 1825 N LEU E 257 69.762 39.093 10.913 1.00 17.27 N ATOM 1826 CA LEU E 257 69.068 37.872 11.311 1.00 19.52 C ATOM 1827 C LEU E 257 69.398 36.863 10.189 1.00 21.87 C ATOM 1828 O LEU E 257 70.570 36.729 9.841 1.00 25.11 O ATOM 1829 CB LEU E 257 67.577 38.157 11.497 1.00 17.89 C ATOM 1830 CG LEU E 257 67.304 39.155 12.664 1.00 17.49 C ATOM 1831 CD1 LEU E 257 65.792 39.436 12.803 1.00 17.39 C ATOM 1832 CD2 LEU E 257 67.902 38.647 14.019 1.00 19.73 C ATOM 1833 N GLY E 258 68.439 36.196 9.589 1.00 23.57 N ATOM 1834 CA GLY E 258 68.777 35.324 8.460 1.00 24.92 C ATOM 1835 C GLY E 258 69.021 35.915 7.071 1.00 25.08 C ATOM 1836 O GLY E 258 69.306 37.119 6.880 1.00 25.37 O ATOM 1837 N ASP E 259 68.865 35.053 6.054 1.00 25.05 N ATOM 1838 CA ASP E 259 68.945 35.513 4.673 1.00 24.63 C ATOM 1839 C ASP E 259 68.025 36.711 4.398 1.00 23.50 C ATOM 1840 O ASP E 259 66.892 36.733 4.878 1.00 22.17 O ATOM 1841 CB ASP E 259 68.572 34.384 3.717 1.00 26.47 C ATOM 1842 CG ASP E 259 68.868 34.745 2.288 1.00 30.30 C ATOM 1843 OD1 ASP E 259 70.026 34.516 1.851 1.00 39.18 O ATOM 1844 OD2 ASP E 259 68.057 35.306 1.535 1.00 31.90 O ATOM 1845 N SER E 260 68.498 37.661 3.592 1.00 22.08 N ATOM 1846 CA SER E 260 67.790 38.928 3.346 1.00 22.24 C ATOM 1847 C SER E 260 66.478 38.757 2.590 1.00 20.86 C ATOM 1848 O SER E 260 65.579 39.584 2.677 1.00 19.00 O ATOM 1849 CB SER E 260 68.705 39.914 2.614 1.00 22.89 C ATOM 1850 OG SER E 260 69.040 39.432 1.329 1.00 27.21 O ATOM 1851 N PHE E 261 66.346 37.630 1.879 1.00 20.74 N ATOM 1852 CA PHE E 261 65.092 37.311 1.228 1.00 19.65 C ATOM 1853 C PHE E 261 63.989 37.172 2.259 1.00 18.37 C ATOM 1854 O PHE E 261 62.841 37.532 1.989 1.00 18.75 O ATOM 1855 CB PHE E 261 65.218 35.963 0.462 1.00 20.36 C ATOM 1856 CG PHE E 261 64.067 35.688 -0.442 1.00 18.68 C ATOM 1857 CD1 PHE E 261 64.006 36.284 -1.697 1.00 19.69 C ATOM 1858 CD2 PHE E 261 63.037 34.814 -0.041 1.00 21.11 C ATOM 1859 CE1 PHE E 261 62.956 36.034 -2.555 1.00 21.99 C ATOM 1860 CE2 PHE E 261 61.952 34.564 -0.900 1.00 22.63 C ATOM 1861 CZ PHE E 261 61.910 35.188 -2.153 1.00 21.08 C ATOM 1862 N TYR E 262 64.325 36.609 3.418 1.00 16.98 N ATOM 1863 CA TYR E 262 63.298 36.354 4.445 1.00 17.42 C ATOM 1864 C TYR E 262 63.275 37.401 5.566 1.00 16.28 C ATOM 1865 O TYR E 262 62.251 37.558 6.230 1.00 15.99 O ATOM 1866 CB TYR E 262 63.528 35.000 5.094 1.00 18.34 C ATOM 1867 CG TYR E 262 63.397 33.885 4.075 1.00 22.03 C ATOM 1868 CD1 TYR E 262 62.131 33.440 3.657 1.00 24.52 C ATOM 1869 CD2 TYR E 262 64.539 33.300 3.506 1.00 26.93 C ATOM 1870 CE1 TYR E 262 61.998 32.407 2.693 1.00 28.60 C ATOM 1871 CE2 TYR E 262 64.418 32.282 2.528 1.00 29.12 C ATOM 1872 CZ TYR E 262 63.161 31.841 2.143 1.00 29.17 C ATOM 1873 OH TYR E 262 63.054 30.839 1.196 1.00 29.37 O ATOM 1874 N TYR E 263 64.406 38.063 5.768 1.00 15.59 N ATOM 1875 CA TYR E 263 64.581 38.983 6.901 1.00 16.31 C ATOM 1876 C TYR E 263 64.994 40.409 6.525 1.00 16.12 C ATOM 1877 O TYR E 263 65.245 41.204 7.423 1.00 16.47 O ATOM 1878 CB TYR E 263 65.661 38.427 7.845 1.00 15.57 C ATOM 1879 CG TYR E 263 65.187 37.246 8.670 1.00 16.78 C ATOM 1880 CD1 TYR E 263 64.551 37.432 9.926 1.00 16.43 C ATOM 1881 CD2 TYR E 263 65.337 35.935 8.190 1.00 19.39 C ATOM 1882 CE1 TYR E 263 64.096 36.307 10.701 1.00 15.85 C ATOM 1883 CE2 TYR E 263 64.892 34.827 8.934 1.00 18.50 C ATOM 1884 CZ TYR E 263 64.268 35.009 10.180 1.00 19.00 C ATOM 1885 OH TYR E 263 63.809 33.911 10.917 1.00 19.87 O ATOM 1886 N GLY E 264 65.156 40.710 5.230 1.00 16.57 N ATOM 1887 CA GLY E 264 65.759 41.993 4.818 1.00 15.35 C ATOM 1888 C GLY E 264 67.079 42.203 5.546 1.00 15.57 C ATOM 1889 O GLY E 264 67.849 41.255 5.745 1.00 15.95 O ATOM 1890 N LYS E 265 67.345 43.431 5.994 1.00 14.60 N ATOM 1891 CA LYS E 265 68.571 43.719 6.762 1.00 14.13 C ATOM 1892 C LYS E 265 68.543 43.281 8.238 1.00 13.59 C ATOM 1893 O LYS E 265 69.551 43.369 8.924 1.00 14.22 O ATOM 1894 CB LYS E 265 68.880 45.238 6.629 1.00 14.27 C ATOM 1895 CG LYS E 265 69.056 45.585 5.096 1.00 16.63 C ATOM 1896 CD LYS E 265 69.016 47.076 4.854 1.00 17.94 C ATOM 1897 CE LYS E 265 69.199 47.362 3.331 1.00 19.50 C ATOM 1898 NZ LYS E 265 67.985 46.961 2.500 1.00 21.92 N ATOM 1899 N GLY E 266 67.396 42.804 8.726 1.00 13.51 N ATOM 1900 CA GLY E 266 67.297 42.336 10.094 1.00 11.97 C ATOM 1901 C GLY E 266 66.428 43.243 10.970 1.00 12.52 C ATOM 1902 O GLY E 266 65.666 44.082 10.469 1.00 12.16 O ATOM 1903 N LEU E 267 66.583 43.087 12.276 1.00 12.27 N ATOM 1904 CA LEU E 267 65.715 43.779 13.240 1.00 11.44 C ATOM 1905 C LEU E 267 66.222 45.192 13.464 1.00 10.96 C ATOM 1906 O LEU E 267 67.402 45.367 13.744 1.00 11.49 O ATOM 1907 CB LEU E 267 65.793 43.062 14.586 1.00 12.37 C ATOM 1908 CG LEU E 267 65.078 43.743 15.775 1.00 10.14 C ATOM 1909 CD1 LEU E 267 63.552 43.637 15.601 1.00 10.23 C ATOM 1910 CD2 LEU E 267 65.503 42.981 17.023 1.00 11.71 C ATOM 1911 N ILE E 268 65.326 46.185 13.398 1.00 10.96 N ATOM 1912 CA ILE E 268 65.772 47.546 13.709 1.00 10.51 C ATOM 1913 C ILE E 268 66.249 47.695 15.146 1.00 11.02 C ATOM 1914 O ILE E 268 65.773 47.022 16.091 1.00 11.41 O ATOM 1915 CB ILE E 268 64.682 48.602 13.385 1.00 10.66 C ATOM 1916 CG1 ILE E 268 63.410 48.402 14.235 1.00 10.76 C ATOM 1917 CG2 ILE E 268 64.387 48.638 11.844 1.00 10.33 C ATOM 1918 CD1 ILE E 268 62.675 49.788 14.509 1.00 10.34 C ATOM 1919 N ASN E 269 67.193 48.620 15.316 1.00 10.54 N ATOM 1920 CA ASN E 269 67.765 48.922 16.597 1.00 10.04 C ATOM 1921 C ASN E 269 67.843 50.454 16.644 1.00 10.77 C ATOM 1922 O ASN E 269 68.741 51.045 16.070 1.00 9.32 O ATOM 1923 CB ASN E 269 69.170 48.280 16.708 1.00 10.64 C ATOM 1924 CG ASN E 269 69.949 48.757 17.943 1.00 13.11 C ATOM 1925 OD1 ASN E 269 69.538 49.685 18.667 1.00 11.69 O ATOM 1926 ND2 ASN E 269 71.056 48.075 18.228 1.00 12.81 N ATOM 1927 N VAL E 270 66.877 51.091 17.292 1.00 8.97 N ATOM 1928 CA VAL E 270 66.797 52.581 17.225 1.00 10.02 C ATOM 1929 C VAL E 270 67.899 53.263 18.092 1.00 10.01 C ATOM 1930 O VAL E 270 68.361 54.366 17.778 1.00 10.81 O ATOM 1931 CB VAL E 270 65.361 53.076 17.575 1.00 10.11 C ATOM 1932 CG1 VAL E 270 65.073 52.820 19.034 1.00 10.63 C ATOM 1933 CG2 VAL E 270 65.213 54.607 17.260 1.00 11.59 C ATOM 1934 N GLN E 271 68.361 52.598 19.144 1.00 9.29 N ATOM 1935 CA GLN E 271 69.553 53.063 19.868 1.00 11.00 C ATOM 1936 C GLN E 271 70.783 53.274 18.948 1.00 11.44 C ATOM 1937 O GLN E 271 71.392 54.369 18.917 1.00 12.52 O ATOM 1938 CB GLN E 271 69.875 52.139 21.063 1.00 11.14 C ATOM 1939 CG GLN E 271 71.138 52.594 21.831 1.00 13.57 C ATOM 1940 CD GLN E 271 71.502 51.631 22.962 1.00 18.63 C ATOM 1941 OE1 GLN E 271 71.319 50.400 22.830 1.00 21.03 O ATOM 1942 NE2 GLN E 271 71.978 52.182 24.081 1.00 17.91 N ATOM 1943 N ALA E 272 71.140 52.239 18.208 1.00 10.94 N ATOM 1944 CA ALA E 272 72.235 52.302 17.267 1.00 11.46 C ATOM 1945 C ALA E 272 71.929 53.290 16.136 1.00 10.91 C ATOM 1946 O ALA E 272 72.841 54.037 15.730 1.00 12.28 O ATOM 1947 CB ALA E 272 72.547 50.895 16.677 1.00 11.19 C ATOM 1948 N ALA E 273 70.677 53.320 15.631 1.00 10.15 N ATOM 1949 CA ALA E 273 70.290 54.216 14.534 1.00 9.60 C ATOM 1950 C ALA E 273 70.523 55.698 14.901 1.00 11.24 C ATOM 1951 O ALA E 273 70.924 56.522 14.054 1.00 11.18 O ATOM 1952 CB ALA E 273 68.798 53.993 14.111 1.00 9.35 C ATOM 1953 N ALA E 274 70.281 56.017 16.179 1.00 10.47 N ATOM 1954 CA ALA E 274 70.269 57.428 16.591 1.00 11.78 C ATOM 1955 C ALA E 274 71.653 57.896 17.044 1.00 12.54 C ATOM 1956 O ALA E 274 71.778 59.031 17.526 1.00 12.86 O ATOM 1957 CB ALA E 274 69.231 57.614 17.709 1.00 10.42 C ATOM 1958 N GLN E 275 72.691 57.057 16.902 1.00 12.99 N ATOM 1959 CA GLN E 275 74.083 57.487 17.159 1.00 14.75 C ATOM 1960 C GLN E 275 74.601 58.194 15.899 1.00 14.02 C ATOM 1961 O GLN E 275 73.969 58.095 14.854 1.00 14.60 O ATOM 1962 CB GLN E 275 74.967 56.259 17.458 1.00 15.37 C ATOM 1963 CG GLN E 275 74.700 55.597 18.861 1.00 20.13 C ATOM 1964 CD GLN E 275 74.881 56.629 20.014 1.00 30.13 C ATOM 1965 OE1 GLN E 275 73.910 57.250 20.504 1.00 36.45 O ATOM 1966 NE2 GLN E 275 76.130 56.855 20.396 1.00 35.21 N ATOM 1967 N AHIS E 276 75.743 58.871 15.949 0.50 14.30 N ATOM 1968 N BHIS E 276 75.749 58.881 16.039 0.50 14.28 N ATOM 1969 CA AHIS E 276 76.234 59.455 14.702 0.50 14.09 C ATOM 1970 CA BHIS E 276 76.455 59.563 14.944 0.50 14.23 C ATOM 1971 C AHIS E 276 76.864 58.400 13.804 0.50 15.26 C ATOM 1972 C BHIS E 276 76.973 58.553 13.909 0.50 15.32 C ATOM 1973 O AHIS E 276 76.661 58.396 12.587 0.50 16.10 O ATOM 1974 O BHIS E 276 76.797 58.747 12.701 0.50 16.25 O ATOM 1975 CB AHIS E 276 77.215 60.564 14.974 0.50 13.93 C ATOM 1976 CB BHIS E 276 77.671 60.354 15.484 0.50 13.89 C ATOM 1977 CG AHIS E 276 76.552 61.859 15.276 0.50 12.34 C ATOM 1978 CG BHIS E 276 77.331 61.417 16.489 0.50 12.56 C ATOM 1979 ND1AHIS E 276 76.541 62.406 16.539 0.50 12.33 N ATOM 1980 ND1BHIS E 276 76.417 62.416 16.238 0.50 14.58 N ATOM 1981 CD2AHIS E 276 75.877 62.718 14.481 0.50 11.76 C ATOM 1982 CD2BHIS E 276 77.797 61.639 17.744 0.50 13.58 C ATOM 1983 CE1AHIS E 276 75.888 63.555 16.505 0.50 11.86 C ATOM 1984 CE1BHIS E 276 76.343 63.220 17.285 0.50 14.85 C ATOM 1985 NE2AHIS E 276 75.478 63.767 15.266 0.50 10.55 N ATOM 1986 NE2BHIS E 276 77.158 62.763 18.219 0.50 14.69 N ATOM 1987 N HIS E 277 77.605 57.493 14.406 1.00 15.22 N ATOM 1988 CA HIS E 277 78.277 56.469 13.594 1.00 17.95 C ATOM 1989 C HIS E 277 77.497 55.178 13.601 1.00 15.65 C ATOM 1990 O HIS E 277 77.067 54.713 14.652 1.00 16.27 O ATOM 1991 CB HIS E 277 79.698 56.329 14.114 1.00 20.35 C ATOM 1992 CG HIS E 277 80.476 57.597 13.903 1.00 28.75 C ATOM 1993 ND1 HIS E 277 81.139 58.253 14.918 1.00 35.33 N ATOM 1994 CD2 HIS E 277 80.563 58.405 12.812 1.00 35.38 C ATOM 1995 CE1 HIS E 277 81.665 59.372 14.444 1.00 36.39 C ATOM 1996 NE2 HIS E 277 81.312 59.500 13.174 1.00 37.33 N ATOM 1997 N HIS E 278 77.254 54.639 12.421 1.00 14.86 N ATOM 1998 CA HIS E 278 76.353 53.484 12.319 1.00 14.41 C ATOM 1999 C HIS E 278 77.062 52.197 11.935 1.00 14.32 C ATOM 2000 O HIS E 278 77.892 52.206 11.040 1.00 15.32 O ATOM 2001 CB HIS E 278 75.303 53.790 11.262 1.00 13.82 C ATOM 2002 CG HIS E 278 74.510 55.034 11.571 1.00 14.80 C ATOM 2003 ND1 HIS E 278 74.236 55.999 10.628 1.00 16.82 N ATOM 2004 CD2 HIS E 278 73.896 55.434 12.713 1.00 16.76 C ATOM 2005 CE1 HIS E 278 73.531 56.971 11.189 1.00 15.93 C ATOM 2006 NE2 HIS E 278 73.282 56.637 12.444 1.00 15.59 N ATOM 2007 N HIS E 279 76.718 51.111 12.607 1.00 13.91 N ATOM 2008 CA HIS E 279 77.096 49.766 12.160 1.00 13.97 C ATOM 2009 C HIS E 279 76.091 48.794 12.730 1.00 13.85 C ATOM 2010 O HIS E 279 75.298 49.158 13.635 1.00 12.07 O ATOM 2011 CB HIS E 279 78.529 49.397 12.628 1.00 15.05 C ATOM 2012 CG HIS E 279 78.729 49.529 14.101 1.00 20.05 C ATOM 2013 ND1 HIS E 279 79.137 50.709 14.690 1.00 26.54 N ATOM 2014 CD2 HIS E 279 78.538 48.648 15.114 1.00 26.46 C ATOM 2015 CE1 HIS E 279 79.203 50.543 16.003 1.00 27.35 C ATOM 2016 NE2 HIS E 279 78.852 49.300 16.286 1.00 26.20 N ATOM 2017 N HIS E 280 76.114 47.580 12.185 1.00 13.18 N ATOM 2018 CA HIS E 280 75.194 46.540 12.595 1.00 13.73 C ATOM 2019 C HIS E 280 75.658 45.926 13.917 1.00 14.74 C ATOM 2020 O HIS E 280 76.871 45.799 14.178 1.00 14.47 O ATOM 2021 CB HIS E 280 75.091 45.451 11.523 1.00 12.14 C ATOM 2022 CG HIS E 280 74.519 45.936 10.230 1.00 12.42 C ATOM 2023 ND1 HIS E 280 73.175 46.189 10.071 1.00 12.39 N ATOM 2024 CD2 HIS E 280 75.108 46.261 9.058 1.00 13.25 C ATOM 2025 CE1 HIS E 280 72.950 46.623 8.838 1.00 11.64 C ATOM 2026 NE2 HIS E 280 74.107 46.643 8.194 1.00 11.80 N ATOM 2027 N HIS E 281 74.692 45.530 14.752 1.00 16.59 N ATOM 2028 CA HIS E 281 75.055 44.751 15.940 1.00 20.26 C ATOM 2029 C HIS E 281 74.581 43.331 15.778 1.00 20.83 C ATOM 2030 O HIS E 281 74.708 42.586 16.768 1.00 24.70 O ATOM 2031 CB HIS E 281 74.493 45.382 17.248 1.00 19.85 C ATOM 2032 CG HIS E 281 75.041 46.734 17.541 1.00 22.46 C ATOM 2033 ND1 HIS E 281 75.870 46.982 18.612 1.00 27.92 N ATOM 2034 CD2 HIS E 281 74.884 47.919 16.904 1.00 24.78 C ATOM 2035 CE1 HIS E 281 76.194 48.263 18.627 1.00 30.90 C ATOM 2036 NE2 HIS E 281 75.628 48.848 17.585 1.00 28.04 N ATOM 2037 OXT HIS E 281 74.115 42.830 14.730 1.00 20.94 O TER 2038 HIS E 281 ATOM 2039 C MET I 20 44.667 23.021 6.593 1.00 37.33 C ATOM 2040 O MET I 20 45.742 23.520 6.214 1.00 39.21 O ATOM 2041 N LYS I 21 43.573 23.028 5.843 1.00 36.69 N ATOM 2042 CA LYS I 21 43.500 23.832 4.613 1.00 34.64 C ATOM 2043 C LYS I 21 43.437 25.317 4.975 1.00 32.44 C ATOM 2044 O LYS I 21 42.543 25.707 5.725 1.00 32.82 O ATOM 2045 CB LYS I 21 42.265 23.428 3.788 1.00 35.60 C ATOM 2046 CG LYS I 21 42.265 24.017 2.387 1.00 35.35 C ATOM 2047 CD LYS I 21 41.357 23.294 1.435 1.00 35.72 C ATOM 2048 CE LYS I 21 41.702 23.704 0.022 1.00 35.98 C ATOM 2049 NZ LYS I 21 40.974 22.899 -0.968 1.00 42.18 N ATOM 2050 N THR I 22 44.368 26.129 4.456 1.00 30.05 N ATOM 2051 CA THR I 22 44.343 27.594 4.653 1.00 27.90 C ATOM 2052 C THR I 22 44.354 28.476 3.376 1.00 25.52 C ATOM 2053 O THR I 22 44.407 29.708 3.468 1.00 23.07 O ATOM 2054 CB THR I 22 45.505 28.057 5.544 1.00 28.42 C ATOM 2055 OG1 THR I 22 46.744 27.814 4.870 1.00 30.71 O ATOM 2056 CG2 THR I 22 45.590 27.233 6.848 1.00 30.49 C ATOM 2057 N GLU I 23 44.312 27.861 2.193 1.00 23.40 N ATOM 2058 CA GLU I 23 44.215 28.592 0.931 1.00 22.59 C ATOM 2059 C GLU I 23 43.270 27.783 0.028 1.00 20.25 C ATOM 2060 O GLU I 23 43.298 26.549 0.093 1.00 19.71 O ATOM 2061 CB GLU I 23 45.565 28.642 0.206 1.00 25.11 C ATOM 2062 CG GLU I 23 46.694 29.407 0.909 1.00 33.64 C ATOM 2063 CD GLU I 23 47.895 29.596 -0.022 1.00 42.49 C ATOM 2064 OE1 GLU I 23 47.866 30.532 -0.855 1.00 45.41 O ATOM 2065 OE2 GLU I 23 48.858 28.782 0.039 1.00 46.29 O ATOM 2066 N TRP I 24 42.527 28.469 -0.848 1.00 17.58 N ATOM 2067 CA TRP I 24 41.557 27.809 -1.746 1.00 18.14 C ATOM 2068 C TRP I 24 41.733 28.259 -3.206 1.00 18.28 C ATOM 2069 O TRP I 24 40.845 28.915 -3.792 1.00 17.90 O ATOM 2070 CB TRP I 24 40.123 28.121 -1.278 1.00 17.95 C ATOM 2071 CG TRP I 24 39.765 27.505 0.054 1.00 17.14 C ATOM 2072 CD1 TRP I 24 39.084 26.347 0.260 1.00 17.69 C ATOM 2073 CD2 TRP I 24 40.054 28.034 1.353 1.00 16.11 C ATOM 2074 NE1 TRP I 24 38.923 26.114 1.610 1.00 18.24 N ATOM 2075 CE2 TRP I 24 39.516 27.129 2.307 1.00 17.89 C ATOM 2076 CE3 TRP I 24 40.690 29.200 1.816 1.00 16.20 C ATOM 2077 CZ2 TRP I 24 39.624 27.329 3.689 1.00 19.99 C ATOM 2078 CZ3 TRP I 24 40.809 29.400 3.216 1.00 19.65 C ATOM 2079 CH2 TRP I 24 40.265 28.468 4.127 1.00 18.53 C ATOM 2080 N PRO I 25 42.857 27.904 -3.834 1.00 19.48 N ATOM 2081 CA PRO I 25 43.088 28.362 -5.223 1.00 19.75 C ATOM 2082 C PRO I 25 42.018 27.818 -6.197 1.00 19.39 C ATOM 2083 O PRO I 25 41.754 28.466 -7.222 1.00 19.68 O ATOM 2084 CB PRO I 25 44.475 27.789 -5.553 1.00 20.53 C ATOM 2085 CG PRO I 25 44.636 26.602 -4.604 1.00 19.70 C ATOM 2086 CD PRO I 25 43.981 27.084 -3.308 1.00 20.31 C ATOM 2087 N GLU I 26 41.380 26.708 -5.851 1.00 18.83 N ATOM 2088 CA GLU I 26 40.357 26.107 -6.693 1.00 20.01 C ATOM 2089 C GLU I 26 39.082 26.985 -6.774 1.00 19.24 C ATOM 2090 O GLU I 26 38.231 26.775 -7.643 1.00 19.14 O ATOM 2091 CB GLU I 26 40.051 24.669 -6.230 1.00 21.18 C ATOM 2092 CG GLU I 26 39.284 24.557 -4.917 1.00 24.53 C ATOM 2093 CD GLU I 26 40.130 24.659 -3.631 1.00 28.44 C ATOM 2094 OE1 GLU I 26 41.338 24.999 -3.651 1.00 26.40 O ATOM 2095 OE2 GLU I 26 39.542 24.378 -2.575 1.00 32.49 O ATOM 2096 N LEU I 27 38.961 27.980 -5.886 1.00 16.16 N ATOM 2097 CA LEU I 27 37.769 28.849 -5.892 1.00 15.94 C ATOM 2098 C LEU I 27 37.874 30.081 -6.804 1.00 15.59 C ATOM 2099 O LEU I 27 36.893 30.794 -7.020 1.00 15.67 O ATOM 2100 CB LEU I 27 37.408 29.266 -4.447 1.00 15.05 C ATOM 2101 CG LEU I 27 36.866 28.126 -3.574 1.00 16.86 C ATOM 2102 CD1 LEU I 27 36.635 28.610 -2.103 1.00 15.75 C ATOM 2103 CD2 LEU I 27 35.543 27.501 -4.122 1.00 18.92 C ATOM 2104 N VAL I 28 39.060 30.360 -7.347 1.00 15.55 N ATOM 2105 CA VAL I 28 39.204 31.531 -8.201 1.00 15.60 C ATOM 2106 C VAL I 28 38.307 31.317 -9.426 1.00 15.65 C ATOM 2107 O VAL I 28 38.290 30.216 -9.982 1.00 16.82 O ATOM 2108 CB VAL I 28 40.679 31.735 -8.633 1.00 15.91 C ATOM 2109 CG1 VAL I 28 40.767 32.831 -9.699 1.00 16.97 C ATOM 2110 CG2 VAL I 28 41.519 32.103 -7.403 1.00 15.81 C ATOM 2111 N GLY I 29 37.529 32.327 -9.804 1.00 15.69 N ATOM 2112 CA GLY I 29 36.625 32.187 -10.950 1.00 16.67 C ATOM 2113 C GLY I 29 35.247 31.652 -10.592 1.00 16.78 C ATOM 2114 O GLY I 29 34.324 31.687 -11.439 1.00 17.32 O ATOM 2115 N LYS I 30 35.067 31.179 -9.349 1.00 15.86 N ATOM 2116 CA LYS I 30 33.728 30.729 -8.904 1.00 15.10 C ATOM 2117 C LYS I 30 32.938 31.899 -8.361 1.00 14.48 C ATOM 2118 O LYS I 30 33.515 32.951 -8.043 1.00 13.75 O ATOM 2119 CB LYS I 30 33.810 29.660 -7.810 1.00 15.03 C ATOM 2120 CG LYS I 30 34.580 28.382 -8.234 1.00 20.24 C ATOM 2121 CD LYS I 30 33.968 27.729 -9.412 1.00 27.25 C ATOM 2122 CE LYS I 30 34.764 26.446 -9.776 1.00 34.33 C ATOM 2123 NZ LYS I 30 34.262 25.316 -8.964 1.00 36.64 N ATOM 2124 N SER I 31 31.637 31.707 -8.213 1.00 13.29 N ATOM 2125 CA SER I 31 30.782 32.724 -7.564 1.00 12.52 C ATOM 2126 C SER I 31 31.179 32.924 -6.105 1.00 13.18 C ATOM 2127 O SER I 31 31.650 32.000 -5.420 1.00 12.12 O ATOM 2128 CB SER I 31 29.300 32.335 -7.582 1.00 12.88 C ATOM 2129 OG SER I 31 29.047 31.163 -6.792 1.00 12.34 O ATOM 2130 N VAL I 32 30.936 34.134 -5.620 1.00 11.98 N ATOM 2131 CA VAL I 32 31.161 34.376 -4.175 1.00 12.76 C ATOM 2132 C VAL I 32 30.310 33.435 -3.296 1.00 12.90 C ATOM 2133 O VAL I 32 30.747 33.001 -2.227 1.00 11.58 O ATOM 2134 CB VAL I 32 30.927 35.874 -3.839 1.00 13.58 C ATOM 2135 CG1 VAL I 32 29.429 36.252 -3.944 1.00 12.95 C ATOM 2136 CG2 VAL I 32 31.514 36.210 -2.437 1.00 12.82 C ATOM 2137 N GLU I 33 29.102 33.091 -3.763 1.00 11.55 N ATOM 2138 CA GLU I 33 28.212 32.190 -3.011 1.00 11.87 C ATOM 2139 C GLU I 33 28.836 30.811 -2.842 1.00 11.77 C ATOM 2140 O GLU I 33 28.842 30.252 -1.731 1.00 11.63 O ATOM 2141 CB GLU I 33 26.861 32.033 -3.720 1.00 11.44 C ATOM 2142 CG GLU I 33 25.998 33.311 -3.671 1.00 12.35 C ATOM 2143 CD GLU I 33 26.280 34.326 -4.788 1.00 15.81 C ATOM 2144 OE1 GLU I 33 27.149 34.099 -5.666 1.00 12.47 O ATOM 2145 OE2 GLU I 33 25.603 35.385 -4.807 1.00 14.54 O ATOM 2146 N GLU I 34 29.365 30.263 -3.930 1.00 12.00 N ATOM 2147 CA GLU I 34 29.941 28.915 -3.813 1.00 12.84 C ATOM 2148 C GLU I 34 31.202 28.957 -2.953 1.00 12.68 C ATOM 2149 O GLU I 34 31.443 28.045 -2.135 1.00 11.76 O ATOM 2150 CB GLU I 34 30.265 28.324 -5.207 1.00 13.47 C ATOM 2151 CG GLU I 34 30.910 26.944 -5.099 1.00 15.16 C ATOM 2152 CD GLU I 34 31.131 26.258 -6.436 1.00 22.53 C ATOM 2153 OE1 GLU I 34 30.580 26.703 -7.478 1.00 19.82 O ATOM 2154 OE2 GLU I 34 31.843 25.219 -6.413 1.00 24.77 O ATOM 2155 N ALA I 35 32.008 30.018 -3.124 1.00 12.74 N ATOM 2156 CA ALA I 35 33.201 30.159 -2.277 1.00 13.13 C ATOM 2157 C ALA I 35 32.863 30.174 -0.774 1.00 13.34 C ATOM 2158 O ALA I 35 33.533 29.502 0.027 1.00 13.31 O ATOM 2159 CB ALA I 35 34.004 31.441 -2.671 1.00 12.54 C ATOM 2160 N LYS I 36 31.851 30.949 -0.379 1.00 13.04 N ATOM 2161 CA LYS I 36 31.456 30.993 1.037 1.00 13.17 C ATOM 2162 C LYS I 36 31.052 29.599 1.517 1.00 13.32 C ATOM 2163 O LYS I 36 31.427 29.157 2.601 1.00 11.56 O ATOM 2164 CB LYS I 36 30.278 31.929 1.279 1.00 13.80 C ATOM 2165 CG LYS I 36 30.644 33.430 1.143 1.00 18.13 C ATOM 2166 CD LYS I 36 29.317 34.266 1.243 1.00 23.42 C ATOM 2167 CE LYS I 36 29.574 35.739 1.529 1.00 29.36 C ATOM 2168 NZ LYS I 36 28.318 36.598 1.473 1.00 32.41 N ATOM 2169 N LYS I 37 30.307 28.887 0.681 1.00 12.76 N ATOM 2170 CA LYS I 37 29.827 27.563 1.084 1.00 12.65 C ATOM 2171 C LYS I 37 31.009 26.622 1.315 1.00 13.11 C ATOM 2172 O LYS I 37 31.061 25.917 2.330 1.00 13.41 O ATOM 2173 CB LYS I 37 28.920 26.983 -0.003 1.00 13.65 C ATOM 2174 CG LYS I 37 28.407 25.593 0.420 1.00 16.06 C ATOM 2175 CD LYS I 37 27.409 25.071 -0.611 1.00 20.57 C ATOM 2176 CE LYS I 37 26.908 23.708 -0.161 1.00 27.77 C ATOM 2177 NZ LYS I 37 25.683 23.204 -0.920 1.00 29.71 N ATOM 2178 N VAL I 38 31.941 26.597 0.362 1.00 13.21 N ATOM 2179 CA VAL I 38 33.105 25.725 0.447 1.00 14.01 C ATOM 2180 C VAL I 38 33.983 26.065 1.647 1.00 13.80 C ATOM 2181 O VAL I 38 34.407 25.184 2.433 1.00 13.89 O ATOM 2182 CB VAL I 38 33.904 25.769 -0.889 1.00 14.64 C ATOM 2183 CG1 VAL I 38 35.274 25.037 -0.733 1.00 16.86 C ATOM 2184 CG2 VAL I 38 33.060 25.079 -2.001 1.00 13.76 C ATOM 2185 N ILE I 39 34.254 27.346 1.829 1.00 13.87 N ATOM 2186 CA ILE I 39 35.148 27.710 2.920 1.00 13.77 C ATOM 2187 C ILE I 39 34.506 27.360 4.289 1.00 13.51 C ATOM 2188 O ILE I 39 35.196 26.888 5.224 1.00 13.66 O ATOM 2189 CB ILE I 39 35.476 29.227 2.819 1.00 14.29 C ATOM 2190 CG1 ILE I 39 36.518 29.470 1.702 1.00 15.99 C ATOM 2191 CG2 ILE I 39 36.043 29.713 4.193 1.00 15.11 C ATOM 2192 CD1 ILE I 39 36.411 30.904 1.104 1.00 16.79 C ATOM 2193 N LEU I 40 33.204 27.593 4.420 1.00 12.73 N ATOM 2194 CA LEU I 40 32.507 27.232 5.666 1.00 12.90 C ATOM 2195 C LEU I 40 32.418 25.710 5.919 1.00 13.72 C ATOM 2196 O LEU I 40 32.220 25.291 7.073 1.00 14.45 O ATOM 2197 CB LEU I 40 31.133 27.890 5.748 1.00 12.95 C ATOM 2198 CG LEU I 40 31.195 29.433 5.893 1.00 13.72 C ATOM 2199 CD1 LEU I 40 29.839 30.041 5.725 1.00 15.44 C ATOM 2200 CD2 LEU I 40 31.766 29.833 7.285 1.00 15.25 C ATOM 2201 N GLN I 41 32.540 24.895 4.863 1.00 12.71 N ATOM 2202 CA GLN I 41 32.643 23.435 5.075 1.00 13.24 C ATOM 2203 C GLN I 41 34.011 23.114 5.652 1.00 14.22 C ATOM 2204 O GLN I 41 34.132 22.262 6.552 1.00 14.34 O ATOM 2205 CB GLN I 41 32.469 22.677 3.764 1.00 13.63 C ATOM 2206 CG GLN I 41 31.082 22.817 3.227 1.00 14.60 C ATOM 2207 CD GLN I 41 30.810 21.941 2.007 1.00 20.07 C ATOM 2208 OE1 GLN I 41 29.629 21.646 1.706 1.00 17.68 O ATOM 2209 NE2 GLN I 41 31.877 21.577 1.260 1.00 20.51 N ATOM 2210 N ASP I 42 35.052 23.780 5.141 1.00 14.08 N ATOM 2211 CA ASP I 42 36.402 23.499 5.636 1.00 14.29 C ATOM 2212 C ASP I 42 36.695 24.152 6.962 1.00 15.22 C ATOM 2213 O ASP I 42 37.511 23.637 7.762 1.00 15.53 O ATOM 2214 CB ASP I 42 37.445 23.977 4.617 1.00 15.21 C ATOM 2215 CG ASP I 42 37.403 23.169 3.329 1.00 18.93 C ATOM 2216 OD1 ASP I 42 36.900 22.010 3.388 1.00 23.10 O ATOM 2217 OD2 ASP I 42 37.798 23.621 2.221 1.00 17.98 O ATOM 2218 N LYS I 43 36.064 25.297 7.197 1.00 13.30 N ATOM 2219 CA LYS I 43 36.390 26.169 8.337 1.00 15.13 C ATOM 2220 C LYS I 43 35.087 26.793 8.847 1.00 14.92 C ATOM 2221 O LYS I 43 34.780 27.962 8.549 1.00 15.49 O ATOM 2222 CB LYS I 43 37.381 27.263 7.843 1.00 14.50 C ATOM 2223 CG LYS I 43 37.929 28.180 8.924 1.00 16.72 C ATOM 2224 CD LYS I 43 39.025 29.130 8.328 1.00 18.08 C ATOM 2225 CE LYS I 43 39.472 30.231 9.321 1.00 21.83 C ATOM 2226 NZ LYS I 43 40.471 29.590 10.245 1.00 23.11 N ATOM 2227 N PRO I 44 34.255 26.006 9.536 1.00 14.47 N ATOM 2228 CA PRO I 44 32.915 26.458 9.914 1.00 15.09 C ATOM 2229 C PRO I 44 32.855 27.712 10.778 1.00 15.86 C ATOM 2230 O PRO I 44 31.815 28.403 10.745 1.00 16.35 O ATOM 2231 CB PRO I 44 32.339 25.270 10.729 1.00 15.80 C ATOM 2232 CG PRO I 44 33.135 24.082 10.263 1.00 15.54 C ATOM 2233 CD PRO I 44 34.515 24.592 9.890 1.00 14.77 C ATOM 2234 N ALA I 45 33.925 27.993 11.517 1.00 17.21 N ATOM 2235 CA ALA I 45 33.974 29.180 12.369 1.00 18.55 C ATOM 2236 C ALA I 45 34.573 30.400 11.644 1.00 19.13 C ATOM 2237 O ALA I 45 34.743 31.451 12.258 1.00 18.01 O ATOM 2238 CB ALA I 45 34.766 28.883 13.673 1.00 19.88 C ATOM 2239 N ALA I 46 34.836 30.284 10.335 1.00 17.92 N ATOM 2240 CA ALA I 46 35.465 31.391 9.586 1.00 17.34 C ATOM 2241 C ALA I 46 34.654 32.686 9.635 1.00 18.05 C ATOM 2242 O ALA I 46 33.415 32.669 9.532 1.00 18.08 O ATOM 2243 CB ALA I 46 35.713 30.978 8.136 1.00 16.56 C ATOM 2244 N GLN I 47 35.353 33.823 9.786 1.00 17.00 N ATOM 2245 CA GLN I 47 34.728 35.124 9.672 1.00 18.23 C ATOM 2246 C GLN I 47 35.007 35.588 8.267 1.00 17.63 C ATOM 2247 O GLN I 47 36.146 35.942 7.922 1.00 16.68 O ATOM 2248 CB GLN I 47 35.297 36.111 10.732 1.00 19.47 C ATOM 2249 CG AGLN I 47 35.156 35.562 12.187 0.50 19.81 C ATOM 2250 CG BGLN I 47 34.454 36.199 12.040 0.50 23.03 C ATOM 2251 CD AGLN I 47 33.714 35.212 12.568 0.50 24.48 C ATOM 2252 CD BGLN I 47 35.292 36.289 13.313 0.50 28.46 C ATOM 2253 OE1AGLN I 47 32.823 36.072 12.521 0.50 25.77 O ATOM 2254 OE1BGLN I 47 35.047 35.561 14.290 0.50 30.76 O ATOM 2255 NE2AGLN I 47 33.484 33.950 12.935 0.50 25.23 N ATOM 2256 NE2BGLN I 47 36.277 37.179 13.312 0.50 29.89 N ATOM 2257 N ILE I 48 33.984 35.498 7.408 1.00 16.61 N ATOM 2258 CA ILE I 48 34.217 35.772 6.008 1.00 16.63 C ATOM 2259 C ILE I 48 33.880 37.214 5.695 1.00 17.45 C ATOM 2260 O ILE I 48 32.803 37.686 6.086 1.00 18.14 O ATOM 2261 CB ILE I 48 33.362 34.798 5.122 1.00 17.00 C ATOM 2262 CG1 ILE I 48 33.896 33.364 5.284 1.00 15.47 C ATOM 2263 CG2 ILE I 48 33.424 35.225 3.651 1.00 16.57 C ATOM 2264 CD1 ILE I 48 33.116 32.283 4.470 1.00 17.60 C ATOM 2265 N ILE I 49 34.772 37.919 4.990 1.00 15.79 N ATOM 2266 CA ILE I 49 34.450 39.292 4.612 1.00 17.43 C ATOM 2267 C ILE I 49 34.620 39.459 3.098 1.00 15.50 C ATOM 2268 O ILE I 49 35.655 39.117 2.550 1.00 16.76 O ATOM 2269 CB ILE I 49 35.318 40.336 5.444 1.00 18.04 C ATOM 2270 CG1AILE I 49 34.834 41.762 5.143 0.33 18.41 C ATOM 2271 CG1BILE I 49 34.885 40.351 6.924 0.67 20.17 C ATOM 2272 CG2AILE I 49 36.768 40.164 5.196 0.33 16.89 C ATOM 2273 CG2BILE I 49 35.199 41.718 4.862 0.67 20.37 C ATOM 2274 CD1AILE I 49 34.470 42.560 6.368 0.33 19.86 C ATOM 2275 CD1BILE I 49 35.703 39.540 7.820 0.67 25.49 C ATOM 2276 N VAL I 50 33.608 39.973 2.442 1.00 15.22 N ATOM 2277 CA VAL I 50 33.659 40.154 1.010 1.00 15.54 C ATOM 2278 C VAL I 50 34.039 41.598 0.687 1.00 17.30 C ATOM 2279 O VAL I 50 33.421 42.521 1.188 1.00 16.01 O ATOM 2280 CB VAL I 50 32.314 39.804 0.363 1.00 15.98 C ATOM 2281 CG1 VAL I 50 32.358 40.013 -1.134 1.00 16.47 C ATOM 2282 CG2 VAL I 50 31.940 38.333 0.700 1.00 16.06 C ATOM 2283 N LEU I 51 35.077 41.744 -0.132 1.00 17.48 N ATOM 2284 CA LEU I 51 35.660 43.036 -0.503 1.00 18.30 C ATOM 2285 C LEU I 51 35.891 43.091 -2.020 1.00 18.46 C ATOM 2286 O LEU I 51 36.119 42.070 -2.687 1.00 17.25 O ATOM 2287 CB LEU I 51 37.024 43.207 0.218 1.00 18.01 C ATOM 2288 CG LEU I 51 37.011 43.078 1.768 1.00 17.86 C ATOM 2289 CD1 LEU I 51 38.443 42.995 2.400 1.00 19.42 C ATOM 2290 CD2 LEU I 51 36.142 44.184 2.435 1.00 19.41 C ATOM 2291 N PRO I 52 35.884 44.288 -2.595 1.00 19.29 N ATOM 2292 CA PRO I 52 36.186 44.423 -4.027 1.00 19.05 C ATOM 2293 C PRO I 52 37.655 44.149 -4.311 1.00 18.76 C ATOM 2294 O PRO I 52 38.512 44.643 -3.568 1.00 18.82 O ATOM 2295 CB PRO I 52 35.853 45.901 -4.332 1.00 19.85 C ATOM 2296 CG PRO I 52 35.079 46.389 -3.137 1.00 19.53 C ATOM 2297 CD PRO I 52 35.572 45.568 -1.940 1.00 19.73 C ATOM 2298 N VAL I 53 37.954 43.362 -5.345 1.00 18.66 N ATOM 2299 CA VAL I 53 39.327 43.162 -5.772 1.00 18.92 C ATOM 2300 C VAL I 53 39.922 44.540 -6.139 1.00 19.28 C ATOM 2301 O VAL I 53 39.188 45.433 -6.545 1.00 19.09 O ATOM 2302 CB VAL I 53 39.417 42.179 -6.976 1.00 19.79 C ATOM 2303 CG1 VAL I 53 38.901 42.795 -8.276 1.00 18.44 C ATOM 2304 CG2 VAL I 53 40.848 41.606 -7.134 1.00 20.69 C ATOM 2305 N GLY I 54 41.229 44.711 -5.968 1.00 20.43 N ATOM 2306 CA GLY I 54 41.841 45.993 -6.314 1.00 20.88 C ATOM 2307 C GLY I 54 41.612 47.077 -5.256 1.00 22.16 C ATOM 2308 O GLY I 54 41.747 48.288 -5.554 1.00 23.62 O ATOM 2309 N THR I 55 41.234 46.694 -4.038 1.00 20.25 N ATOM 2310 CA THR I 55 41.241 47.677 -2.938 1.00 19.98 C ATOM 2311 C THR I 55 42.475 47.456 -2.084 1.00 19.09 C ATOM 2312 O THR I 55 43.162 46.436 -2.198 1.00 18.57 O ATOM 2313 CB THR I 55 40.018 47.582 -2.027 1.00 20.33 C ATOM 2314 OG1 THR I 55 39.810 46.214 -1.641 1.00 21.72 O ATOM 2315 CG2 THR I 55 38.751 48.011 -2.777 1.00 21.36 C ATOM 2316 N ILE I 56 42.737 48.428 -1.222 1.00 17.41 N ATOM 2317 CA ILE I 56 43.827 48.335 -0.267 1.00 17.41 C ATOM 2318 C ILE I 56 43.201 47.906 1.074 1.00 16.62 C ATOM 2319 O ILE I 56 42.105 48.357 1.418 1.00 15.64 O ATOM 2320 CB ILE I 56 44.485 49.751 -0.131 1.00 17.98 C ATOM 2321 CG1 ILE I 56 45.157 50.202 -1.433 1.00 21.50 C ATOM 2322 CG2 ILE I 56 45.452 49.787 1.076 1.00 16.39 C ATOM 2323 CD1 ILE I 56 46.503 49.522 -1.684 1.00 22.98 C ATOM 2324 N VAL I 57 43.887 47.051 1.837 1.00 15.27 N ATOM 2325 CA VAL I 57 43.312 46.552 3.092 1.00 15.07 C ATOM 2326 C VAL I 57 44.335 46.587 4.225 1.00 14.46 C ATOM 2327 O VAL I 57 45.534 46.663 3.988 1.00 14.58 O ATOM 2328 CB VAL I 57 42.802 45.051 2.961 1.00 15.48 C ATOM 2329 CG1 VAL I 57 41.680 44.938 1.826 1.00 15.61 C ATOM 2330 CG2 VAL I 57 43.953 44.090 2.609 1.00 14.34 C ATOM 2331 N THR I 58 43.851 46.455 5.454 1.00 14.48 N ATOM 2332 CA THR I 58 44.753 46.397 6.621 1.00 13.74 C ATOM 2333 C THR I 58 45.646 45.199 6.535 1.00 14.87 C ATOM 2334 O THR I 58 45.293 44.153 5.925 1.00 15.53 O ATOM 2335 CB THR I 58 43.956 46.270 7.933 1.00 14.52 C ATOM 2336 OG1 THR I 58 43.215 45.033 7.932 1.00 15.40 O ATOM 2337 CG2 THR I 58 42.930 47.402 8.090 1.00 15.71 C ATOM 2338 N MET I 59 46.806 45.318 7.172 1.00 12.98 N ATOM 2339 CA MET I 59 47.765 44.224 7.189 1.00 13.88 C ATOM 2340 C MET I 59 47.847 43.550 8.589 1.00 13.16 C ATOM 2341 O MET I 59 48.915 43.052 8.999 1.00 12.24 O ATOM 2342 CB MET I 59 49.140 44.694 6.658 1.00 12.71 C ATOM 2343 CG MET I 59 49.093 44.973 5.167 1.00 16.46 C ATOM 2344 SD MET I 59 48.903 43.344 4.266 1.00 18.28 S ATOM 2345 CE MET I 59 47.799 43.889 2.918 1.00 19.33 C ATOM 2346 N SER I 60 46.718 43.484 9.303 1.00 13.01 N ATOM 2347 CA SER I 60 46.691 42.570 10.451 1.00 13.26 C ATOM 2348 C SER I 60 46.555 41.121 9.937 1.00 14.15 C ATOM 2349 O SER I 60 46.067 40.893 8.811 1.00 13.79 O ATOM 2350 CB SER I 60 45.515 42.863 11.391 1.00 13.90 C ATOM 2351 OG SER I 60 44.312 42.861 10.631 1.00 16.15 O ATOM 2352 N TYR I 61 46.978 40.167 10.760 1.00 14.26 N ATOM 2353 CA TYR I 61 46.834 38.743 10.416 1.00 16.46 C ATOM 2354 C TYR I 61 45.923 38.096 11.446 1.00 17.81 C ATOM 2355 O TYR I 61 46.223 38.092 12.654 1.00 17.17 O ATOM 2356 CB TYR I 61 48.187 38.066 10.359 1.00 16.67 C ATOM 2357 CG TYR I 61 48.134 36.620 9.905 1.00 20.51 C ATOM 2358 CD1 TYR I 61 48.006 36.325 8.547 1.00 21.77 C ATOM 2359 CD2 TYR I 61 48.254 35.565 10.815 1.00 23.80 C ATOM 2360 CE1 TYR I 61 47.974 35.014 8.080 1.00 24.65 C ATOM 2361 CE2 TYR I 61 48.217 34.212 10.350 1.00 26.94 C ATOM 2362 CZ TYR I 61 48.077 33.970 8.974 1.00 28.25 C ATOM 2363 OH TYR I 61 48.037 32.695 8.412 1.00 33.11 O ATOM 2364 N ARG I 62 44.787 37.575 10.973 1.00 17.85 N ATOM 2365 CA ARG I 62 43.780 37.033 11.865 1.00 20.04 C ATOM 2366 C ARG I 62 43.498 35.624 11.347 1.00 21.28 C ATOM 2367 O ARG I 62 42.954 35.461 10.234 1.00 19.58 O ATOM 2368 CB ARG I 62 42.499 37.842 11.770 1.00 20.11 C ATOM 2369 CG AARG I 62 42.618 39.286 12.199 0.50 21.72 C ATOM 2370 CG BARG I 62 42.313 39.043 12.727 0.50 23.69 C ATOM 2371 CD AARG I 62 41.635 39.660 13.294 0.50 25.12 C ATOM 2372 CD BARG I 62 40.969 39.819 12.477 0.50 27.16 C ATOM 2373 NE AARG I 62 40.466 38.779 13.395 0.50 26.14 N ATOM 2374 NE BARG I 62 40.701 40.929 13.409 0.50 31.17 N ATOM 2375 CZ AARG I 62 39.231 39.116 13.025 0.50 28.48 C ATOM 2376 CZ BARG I 62 39.949 42.005 13.132 0.50 31.19 C ATOM 2377 NH1AARG I 62 38.978 40.311 12.498 0.50 30.85 N ATOM 2378 NH1BARG I 62 39.367 42.144 11.946 0.50 31.65 N ATOM 2379 NH2AARG I 62 38.237 38.259 13.183 0.50 28.00 N ATOM 2380 NH2BARG I 62 39.776 42.952 14.052 0.50 32.30 N ATOM 2381 N ILE I 63 43.845 34.616 12.142 1.00 21.49 N ATOM 2382 CA ILE I 63 43.736 33.236 11.705 1.00 22.76 C ATOM 2383 C ILE I 63 42.250 32.826 11.503 1.00 21.70 C ATOM 2384 O ILE I 63 41.968 31.865 10.819 1.00 23.88 O ATOM 2385 CB ILE I 63 44.474 32.283 12.728 1.00 23.52 C ATOM 2386 CG1AILE I 63 44.762 30.899 12.127 0.67 25.97 C ATOM 2387 CG1BILE I 63 44.235 32.709 14.180 0.33 23.18 C ATOM 2388 CG2AILE I 63 43.688 32.202 14.014 0.67 23.38 C ATOM 2389 CG2BILE I 63 45.966 32.196 12.360 0.33 22.30 C ATOM 2390 CD1AILE I 63 45.416 29.923 13.131 0.67 27.72 C ATOM 2391 CD1BILE I 63 44.513 31.610 15.217 0.33 23.72 C ATOM 2392 N ASP I 64 41.334 33.557 12.098 1.00 21.38 N ATOM 2393 CA ASP I 64 39.920 33.213 12.024 1.00 22.45 C ATOM 2394 C ASP I 64 39.264 33.844 10.770 1.00 20.54 C ATOM 2395 O ASP I 64 38.121 33.523 10.452 1.00 20.63 O ATOM 2396 CB ASP I 64 39.195 33.730 13.271 1.00 23.46 C ATOM 2397 CG AASP I 64 39.418 35.224 13.497 0.67 26.84 C ATOM 2398 CG BASP I 64 39.526 32.953 14.540 0.33 24.59 C ATOM 2399 OD1AASP I 64 40.576 35.678 13.772 0.67 26.88 O ATOM 2400 OD1BASP I 64 39.486 31.706 14.510 0.33 27.42 O ATOM 2401 OD2AASP I 64 38.470 36.020 13.405 0.67 29.37 O ATOM 2402 OD2BASP I 64 39.803 33.519 15.635 0.33 26.48 O ATOM 2403 N ARG I 65 39.977 34.749 10.086 1.00 17.87 N ATOM 2404 CA ARG I 65 39.357 35.557 9.002 1.00 16.23 C ATOM 2405 C ARG I 65 39.697 34.994 7.630 1.00 15.80 C ATOM 2406 O ARG I 65 40.812 34.496 7.400 1.00 15.79 O ATOM 2407 CB ARG I 65 39.877 37.017 9.064 1.00 15.73 C ATOM 2408 CG ARG I 65 39.259 37.957 7.997 1.00 15.39 C ATOM 2409 CD ARG I 65 39.674 39.441 8.261 1.00 14.05 C ATOM 2410 NE ARG I 65 41.144 39.567 8.297 1.00 13.37 N ATOM 2411 CZ ARG I 65 41.753 40.654 8.815 1.00 15.57 C ATOM 2412 NH1 ARG I 65 41.006 41.628 9.337 1.00 15.70 N ATOM 2413 NH2 ARG I 65 43.085 40.742 8.811 1.00 16.93 N ATOM 2414 N VAL I 66 38.713 35.055 6.716 1.00 15.30 N ATOM 2415 CA VAL I 66 38.963 34.797 5.300 1.00 14.34 C ATOM 2416 C VAL I 66 38.322 35.909 4.481 1.00 14.73 C ATOM 2417 O VAL I 66 37.081 36.049 4.412 1.00 14.28 O ATOM 2418 CB VAL I 66 38.409 33.409 4.791 1.00 14.83 C ATOM 2419 CG1 VAL I 66 38.803 33.249 3.326 1.00 14.03 C ATOM 2420 CG2 VAL I 66 38.982 32.235 5.616 1.00 13.64 C ATOM 2421 N ARG I 67 39.173 36.730 3.863 1.00 13.69 N ATOM 2422 CA ARG I 67 38.675 37.764 2.974 1.00 13.24 C ATOM 2423 C ARG I 67 38.446 37.145 1.597 1.00 13.79 C ATOM 2424 O ARG I 67 39.295 36.391 1.100 1.00 14.44 O ATOM 2425 CB ARG I 67 39.709 38.875 2.829 1.00 14.31 C ATOM 2426 CG ARG I 67 39.887 39.674 4.119 1.00 15.07 C ATOM 2427 CD ARG I 67 41.029 40.700 4.006 1.00 18.29 C ATOM 2428 NE ARG I 67 40.926 41.732 5.043 1.00 20.12 N ATOM 2429 CZ ARG I 67 42.008 42.403 5.518 1.00 16.68 C ATOM 2430 NH1 ARG I 67 43.228 42.140 5.075 1.00 17.37 N ATOM 2431 NH2 ARG I 67 41.852 43.353 6.397 1.00 17.74 N ATOM 2432 N LEU I 68 37.323 37.513 0.964 1.00 13.19 N ATOM 2433 CA LEU I 68 37.054 37.065 -0.405 1.00 13.63 C ATOM 2434 C LEU I 68 37.022 38.306 -1.290 1.00 12.84 C ATOM 2435 O LEU I 68 36.176 39.176 -1.084 1.00 14.39 O ATOM 2436 CB LEU I 68 35.666 36.375 -0.502 1.00 12.59 C ATOM 2437 CG LEU I 68 35.537 35.082 0.305 1.00 15.32 C ATOM 2438 CD1 LEU I 68 34.102 34.530 0.137 1.00 13.70 C ATOM 2439 CD2 LEU I 68 36.621 34.092 -0.174 1.00 14.37 C ATOM 2440 N PHE I 69 37.962 38.388 -2.230 1.00 13.46 N ATOM 2441 CA PHE I 69 38.058 39.527 -3.146 1.00 13.92 C ATOM 2442 C PHE I 69 37.303 39.198 -4.439 1.00 13.85 C ATOM 2443 O PHE I 69 37.687 38.262 -5.147 1.00 14.25 O ATOM 2444 CB PHE I 69 39.531 39.837 -3.437 1.00 13.55 C ATOM 2445 CG PHE I 69 40.224 40.467 -2.247 1.00 14.69 C ATOM 2446 CD1 PHE I 69 40.067 41.820 -1.968 1.00 17.00 C ATOM 2447 CD2 PHE I 69 40.939 39.687 -1.372 1.00 16.87 C ATOM 2448 CE1 PHE I 69 40.702 42.410 -0.818 1.00 15.72 C ATOM 2449 CE2 PHE I 69 41.579 40.261 -0.215 1.00 15.36 C ATOM 2450 CZ PHE I 69 41.430 41.587 0.053 1.00 14.13 C ATOM 2451 N VAL I 70 36.253 39.974 -4.711 1.00 14.30 N ATOM 2452 CA VAL I 70 35.401 39.748 -5.887 1.00 15.52 C ATOM 2453 C VAL I 70 35.547 40.799 -6.968 1.00 16.49 C ATOM 2454 O VAL I 70 35.839 41.961 -6.691 1.00 16.43 O ATOM 2455 CB VAL I 70 33.915 39.630 -5.484 1.00 15.06 C ATOM 2456 CG1 VAL I 70 33.734 38.369 -4.555 1.00 15.27 C ATOM 2457 CG2 VAL I 70 33.447 40.887 -4.739 1.00 15.54 C ATOM 2458 N ASP I 71 35.367 40.360 -8.207 1.00 17.44 N ATOM 2459 CA ASP I 71 35.309 41.296 -9.325 1.00 17.79 C ATOM 2460 C ASP I 71 33.913 41.907 -9.373 1.00 18.50 C ATOM 2461 O ASP I 71 33.103 41.676 -8.462 1.00 17.91 O ATOM 2462 CB ASP I 71 35.787 40.641 -10.619 1.00 17.82 C ATOM 2463 CG ASP I 71 34.876 39.498 -11.101 1.00 19.51 C ATOM 2464 OD1 ASP I 71 33.697 39.409 -10.681 1.00 17.17 O ATOM 2465 OD2 ASP I 71 35.309 38.626 -11.872 1.00 23.77 O ATOM 2466 N ARG I 72 33.669 42.774 -10.375 1.00 19.08 N ATOM 2467 CA ARG I 72 32.420 43.527 -10.435 1.00 21.44 C ATOM 2468 C ARG I 72 31.206 42.595 -10.713 1.00 20.72 C ATOM 2469 O ARG I 72 30.059 43.044 -10.578 1.00 20.72 O ATOM 2470 CB ARG I 72 32.484 44.619 -11.529 1.00 22.84 C ATOM 2471 CG ARG I 72 32.682 43.998 -12.898 1.00 29.43 C ATOM 2472 CD ARG I 72 32.860 44.954 -14.121 1.00 39.20 C ATOM 2473 NE ARG I 72 33.049 44.115 -15.312 1.00 45.06 N ATOM 2474 CZ ARG I 72 32.070 43.740 -16.150 1.00 47.56 C ATOM 2475 NH1 ARG I 72 30.817 44.168 -15.968 1.00 47.03 N ATOM 2476 NH2 ARG I 72 32.354 42.946 -17.184 1.00 47.78 N ATOM 2477 N LEU I 73 31.475 41.340 -11.074 1.00 19.24 N ATOM 2478 CA LEU I 73 30.398 40.349 -11.363 1.00 19.01 C ATOM 2479 C LEU I 73 30.098 39.461 -10.145 1.00 17.98 C ATOM 2480 O LEU I 73 29.226 38.602 -10.221 1.00 17.75 O ATOM 2481 CB LEU I 73 30.793 39.467 -12.552 1.00 19.15 C ATOM 2482 CG LEU I 73 31.128 40.217 -13.870 1.00 22.21 C ATOM 2483 CD1 LEU I 73 31.430 39.278 -15.023 1.00 22.25 C ATOM 2484 CD2 LEU I 73 29.996 41.220 -14.198 1.00 22.86 C ATOM 2485 N ASP I 74 30.783 39.714 -9.021 1.00 16.22 N ATOM 2486 CA ASP I 74 30.697 38.894 -7.796 1.00 16.17 C ATOM 2487 C ASP I 74 31.309 37.489 -7.931 1.00 14.38 C ATOM 2488 O ASP I 74 30.861 36.542 -7.231 1.00 13.33 O ATOM 2489 CB ASP I 74 29.243 38.798 -7.236 1.00 15.81 C ATOM 2490 CG ASP I 74 29.057 39.543 -5.926 1.00 18.50 C ATOM 2491 OD1 ASP I 74 29.998 40.269 -5.466 1.00 21.70 O ATOM 2492 OD2 ASP I 74 27.993 39.482 -5.268 1.00 17.96 O ATOM 2493 N ASN I 75 32.323 37.345 -8.787 1.00 13.51 N ATOM 2494 CA ASN I 75 33.097 36.112 -8.848 1.00 14.40 C ATOM 2495 C ASN I 75 34.432 36.326 -8.115 1.00 14.32 C ATOM 2496 O ASN I 75 34.908 37.462 -8.052 1.00 14.06 O ATOM 2497 CB ASN I 75 33.344 35.687 -10.301 1.00 14.66 C ATOM 2498 CG ASN I 75 32.038 35.401 -11.036 1.00 15.96 C ATOM 2499 OD1 ASN I 75 31.121 34.844 -10.436 1.00 15.27 O ATOM 2500 ND2 ASN I 75 31.910 35.886 -12.295 1.00 13.60 N ATOM 2501 N ILE I 76 35.006 35.250 -7.578 1.00 13.70 N ATOM 2502 CA ILE I 76 36.286 35.357 -6.858 1.00 13.51 C ATOM 2503 C ILE I 76 37.406 35.710 -7.825 1.00 14.29 C ATOM 2504 O ILE I 76 37.587 35.028 -8.860 1.00 14.40 O ATOM 2505 CB ILE I 76 36.605 33.995 -6.161 1.00 12.77 C ATOM 2506 CG1 ILE I 76 35.457 33.620 -5.188 1.00 10.51 C ATOM 2507 CG2 ILE I 76 38.025 34.042 -5.482 1.00 12.22 C ATOM 2508 CD1 ILE I 76 35.123 34.696 -4.066 1.00 14.04 C ATOM 2509 N ALA I 77 38.182 36.743 -7.488 1.00 13.83 N ATOM 2510 CA ALA I 77 39.196 37.244 -8.422 1.00 16.03 C ATOM 2511 C ALA I 77 40.618 37.056 -7.904 1.00 18.43 C ATOM 2512 O ALA I 77 41.587 37.396 -8.621 1.00 20.79 O ATOM 2513 CB ALA I 77 38.963 38.712 -8.697 1.00 16.25 C ATOM 2514 N GLN I 78 40.764 36.526 -6.685 1.00 17.24 N ATOM 2515 CA GLN I 78 42.110 36.330 -6.078 1.00 19.19 C ATOM 2516 C GLN I 78 42.006 35.055 -5.219 1.00 18.20 C ATOM 2517 O GLN I 78 40.907 34.749 -4.729 1.00 17.91 O ATOM 2518 CB GLN I 78 42.371 37.579 -5.226 1.00 20.43 C ATOM 2519 CG GLN I 78 43.607 37.669 -4.373 1.00 27.17 C ATOM 2520 CD GLN I 78 43.732 39.084 -3.822 1.00 32.58 C ATOM 2521 OE1 GLN I 78 43.426 40.046 -4.549 1.00 31.87 O ATOM 2522 NE2 GLN I 78 44.130 39.221 -2.540 1.00 29.67 N ATOM 2523 N VAL I 79 43.106 34.324 -5.017 1.00 16.55 N ATOM 2524 CA VAL I 79 43.035 33.076 -4.235 1.00 17.06 C ATOM 2525 C VAL I 79 42.641 33.416 -2.794 1.00 17.21 C ATOM 2526 O VAL I 79 43.366 34.209 -2.116 1.00 17.94 O ATOM 2527 CB VAL I 79 44.417 32.360 -4.206 1.00 17.49 C ATOM 2528 CG1 VAL I 79 44.402 31.149 -3.284 1.00 16.68 C ATOM 2529 CG2 VAL I 79 44.826 31.898 -5.593 1.00 17.74 C ATOM 2530 N PRO I 80 41.522 32.878 -2.293 1.00 15.23 N ATOM 2531 CA PRO I 80 41.176 33.102 -0.877 1.00 15.28 C ATOM 2532 C PRO I 80 42.190 32.422 0.035 1.00 15.78 C ATOM 2533 O PRO I 80 42.617 31.298 -0.219 1.00 15.23 O ATOM 2534 CB PRO I 80 39.795 32.406 -0.727 1.00 15.00 C ATOM 2535 CG PRO I 80 39.231 32.436 -2.160 1.00 13.55 C ATOM 2536 CD PRO I 80 40.453 32.136 -3.008 1.00 14.65 C ATOM 2537 N ARG I 81 42.530 33.102 1.122 1.00 17.12 N ATOM 2538 CA ARG I 81 43.404 32.516 2.143 1.00 18.44 C ATOM 2539 C ARG I 81 43.044 33.025 3.533 1.00 18.18 C ATOM 2540 O ARG I 81 42.432 34.084 3.692 1.00 17.84 O ATOM 2541 CB ARG I 81 44.864 32.891 1.837 1.00 20.41 C ATOM 2542 CG ARG I 81 45.079 34.399 1.878 1.00 27.01 C ATOM 2543 CD ARG I 81 46.456 34.895 1.394 1.00 38.94 C ATOM 2544 NE ARG I 81 47.570 34.180 2.005 1.00 43.59 N ATOM 2545 CZ ARG I 81 48.306 33.245 1.369 1.00 47.42 C ATOM 2546 NH1 ARG I 81 48.023 32.906 0.102 1.00 46.74 N ATOM 2547 NH2 ARG I 81 49.330 32.661 2.000 1.00 46.72 N ATOM 2548 N VAL I 82 43.397 32.248 4.558 1.00 16.80 N ATOM 2549 CA VAL I 82 43.192 32.715 5.946 1.00 15.73 C ATOM 2550 C VAL I 82 44.106 33.946 6.212 1.00 16.09 C ATOM 2551 O VAL I 82 45.195 34.027 5.652 1.00 15.88 O ATOM 2552 CB VAL I 82 43.488 31.551 6.952 1.00 15.82 C ATOM 2553 CG1AVAL I 82 43.787 32.050 8.343 0.50 15.56 C ATOM 2554 CG1BVAL I 82 42.640 30.283 6.594 0.50 14.66 C ATOM 2555 CG2AVAL I 82 42.325 30.497 6.951 0.50 14.61 C ATOM 2556 CG2BVAL I 82 44.953 31.236 7.027 0.50 14.44 C ATOM 2557 N GLY I 83 43.665 34.869 7.061 1.00 16.29 N ATOM 2558 CA GLY I 83 44.532 35.983 7.446 1.00 16.73 C ATOM 2559 C GLY I 83 43.787 37.278 7.556 1.00 17.23 C ATOM 2560 O GLY I 83 44.286 38.217 8.210 1.00 18.50 O ATOM 2561 OXT GLY I 83 42.655 37.415 7.029 1.00 15.28 O TER 2562 GLY I 83 HETATM 2563 CA CA E1001 50.689 54.903 28.807 1.00 15.65 CA HETATM 2564 NA NA E1002 60.107 49.416 -0.590 1.00 15.76 NA HETATM 2565 C1 CIT E2001 74.367 68.370 9.201 1.00 17.89 C HETATM 2566 O1 CIT E2001 75.494 67.877 9.110 1.00 13.13 O HETATM 2567 O2 CIT E2001 73.792 68.937 8.233 1.00 20.02 O HETATM 2568 C2 CIT E2001 73.670 68.295 10.537 1.00 13.80 C HETATM 2569 C3 CIT E2001 74.386 67.519 11.686 1.00 16.93 C HETATM 2570 O7 CIT E2001 75.863 67.775 12.165 1.00 11.00 O HETATM 2571 C4 CIT E2001 73.156 67.288 12.634 1.00 13.59 C HETATM 2572 C5 CIT E2001 73.241 66.133 13.615 1.00 15.88 C HETATM 2573 O3 CIT E2001 74.343 65.574 13.780 1.00 14.00 O HETATM 2574 O4 CIT E2001 72.229 65.721 14.232 1.00 12.41 O HETATM 2575 C6 CIT E2001 74.776 66.283 11.145 1.00 19.83 C HETATM 2576 O5 CIT E2001 76.029 65.994 11.307 1.00 10.81 O HETATM 2577 O6 CIT E2001 73.826 65.693 10.612 1.00 14.70 O HETATM 2578 C1 ACIT E2002 74.589 62.913 7.000 0.50 24.77 C HETATM 2579 C1 BCIT E2002 74.537 61.075 8.059 0.50 27.20 C HETATM 2580 O1 ACIT E2002 75.283 62.206 6.226 0.50 24.18 O HETATM 2581 O1 BCIT E2002 75.627 60.470 8.149 0.50 28.76 O HETATM 2582 O2 ACIT E2002 74.029 63.929 6.528 0.50 18.57 O HETATM 2583 O2 BCIT E2002 73.542 60.455 7.648 0.50 30.33 O HETATM 2584 C2 CIT E2002 74.408 62.524 8.470 1.00 27.80 C HETATM 2585 C3 CIT E2002 75.589 62.858 9.387 1.00 26.09 C HETATM 2586 O7 CIT E2002 75.506 62.126 10.670 1.00 23.51 O HETATM 2587 C4 CIT E2002 76.893 63.143 8.627 1.00 21.80 C HETATM 2588 C5 CIT E2002 77.981 63.770 9.536 1.00 28.51 C HETATM 2589 O3 CIT E2002 78.214 63.463 10.744 1.00 22.86 O HETATM 2590 O4 CIT E2002 78.680 64.681 9.044 1.00 33.01 O HETATM 2591 C6 CIT E2002 75.341 64.078 10.071 1.00 26.03 C HETATM 2592 O5 CIT E2002 75.097 63.956 11.314 1.00 13.91 O HETATM 2593 O6 CIT E2002 75.434 65.069 9.346 1.00 16.82 O HETATM 2594 C1 CIT E2003 32.995 50.560 29.544 1.00 49.43 C HETATM 2595 O1 CIT E2003 33.092 50.919 30.744 1.00 44.05 O HETATM 2596 O2 CIT E2003 33.480 49.457 29.148 1.00 48.07 O HETATM 2597 C2 CIT E2003 32.308 51.478 28.555 1.00 49.00 C HETATM 2598 C3 CIT E2003 33.377 52.300 27.821 1.00 51.68 C HETATM 2599 O7 CIT E2003 34.192 51.389 26.999 1.00 48.41 O HETATM 2600 C4 CIT E2003 32.609 53.248 26.886 1.00 51.52 C HETATM 2601 C5 CIT E2003 33.508 54.155 26.074 1.00 54.44 C HETATM 2602 O3 CIT E2003 34.762 54.084 26.205 1.00 54.22 O HETATM 2603 O4 CIT E2003 32.994 54.978 25.261 1.00 54.86 O HETATM 2604 C6 CIT E2003 34.286 53.085 28.815 1.00 51.91 C HETATM 2605 O5 CIT E2003 35.305 52.541 29.358 1.00 51.04 O HETATM 2606 O6 CIT E2003 34.047 54.302 29.084 1.00 50.26 O HETATM 2607 OXT 15P E5001 57.311 66.028 27.924 1.00 53.14 O HETATM 2608 C1 15P E5001 58.329 65.925 26.938 1.00 49.91 C HETATM 2609 C2 15P E5001 59.610 65.453 27.620 1.00 48.68 C HETATM 2610 O1 15P E5001 59.367 64.609 28.770 1.00 46.35 O HETATM 2611 C3 15P E5001 60.524 64.484 29.639 1.00 38.57 C HETATM 2612 C4 15P E5001 61.491 63.468 29.014 1.00 33.51 C HETATM 2613 O2 15P E5001 60.875 62.159 28.922 1.00 26.57 O HETATM 2614 C5 15P E5001 61.867 61.192 28.543 1.00 24.50 C HETATM 2615 C6 15P E5001 61.216 59.812 28.619 1.00 20.72 C HETATM 2616 O3 15P E5001 60.969 59.463 29.995 1.00 25.74 O HETATM 2617 C7 15P E5001 61.212 58.056 30.116 1.00 23.68 C HETATM 2618 O1 15P E5002 61.914 69.420 4.134 1.00 52.61 O HETATM 2619 C3 15P E5002 62.347 68.875 5.388 1.00 50.70 C HETATM 2620 C4 15P E5002 61.143 68.436 6.229 1.00 46.44 C HETATM 2621 O2 15P E5002 60.269 67.638 5.425 1.00 42.51 O HETATM 2622 C5 15P E5002 59.036 67.394 6.075 1.00 40.84 C HETATM 2623 C6 15P E5002 58.051 66.863 5.057 1.00 40.33 C HETATM 2624 O3 15P E5002 57.236 67.941 4.627 1.00 39.59 O HETATM 2625 C7 15P E5002 56.453 67.590 3.494 1.00 43.04 C HETATM 2626 C8 15P E5002 56.040 68.861 2.781 1.00 44.63 C HETATM 2627 O4 15P E5002 57.150 69.379 2.056 1.00 45.88 O HETATM 2628 C9 15P E5002 56.772 70.473 1.223 1.00 50.33 C HETATM 2629 C10 15P E5002 57.838 70.698 0.160 1.00 52.74 C HETATM 2630 O5 15P E5002 59.128 70.568 0.759 1.00 55.56 O HETATM 2631 C11 15P E5002 60.166 70.412 -0.216 1.00 56.54 C HETATM 2632 C12 15P E5002 61.472 70.861 0.433 1.00 58.29 C HETATM 2633 O6 15P E5002 61.768 70.009 1.545 1.00 57.92 O HETATM 2634 C2 15P E5003 38.281 65.506 19.400 1.00 57.13 C HETATM 2635 O1 15P E5003 38.819 65.557 18.071 1.00 57.60 O HETATM 2636 C3 15P E5003 40.237 65.332 17.948 1.00 54.26 C HETATM 2637 C4 15P E5003 41.014 66.603 18.268 1.00 55.18 C HETATM 2638 O2 15P E5003 41.985 66.918 17.278 1.00 54.60 O HETATM 2639 C5 15P E5003 42.196 68.335 17.209 1.00 57.65 C HETATM 2640 C6 15P E5003 42.508 68.770 15.770 1.00 60.39 C HETATM 2641 O3 15P E5003 41.356 69.225 15.038 1.00 62.74 O HETATM 2642 C7 15P E5003 41.469 69.008 13.623 1.00 62.56 C HETATM 2643 C8 15P E5003 40.089 68.907 12.964 1.00 63.65 C HETATM 2644 O4 15P E5003 40.205 68.234 11.700 1.00 64.88 O HETATM 2645 C9 15P E5003 39.027 67.512 11.305 1.00 64.83 C HETATM 2646 O HOH E5004 53.133 42.903 23.261 1.00 9.69 O HETATM 2647 O HOH E5005 50.324 47.905 16.062 1.00 10.40 O HETATM 2648 O HOH E5006 52.648 48.399 20.964 1.00 10.33 O HETATM 2649 O HOH E5007 55.073 44.256 21.781 1.00 10.18 O HETATM 2650 O HOH E5008 49.914 63.855 19.528 1.00 14.56 O HETATM 2651 O HOH E5009 61.632 64.261 22.331 1.00 10.15 O HETATM 2652 O HOH E5010 48.768 52.763 9.066 1.00 10.48 O HETATM 2653 O HOH E5011 67.020 46.034 18.442 1.00 11.45 O HETATM 2654 O HOH E5012 68.145 50.012 13.053 1.00 10.40 O HETATM 2655 O HOH E5013 61.076 63.445 7.617 1.00 13.82 O HETATM 2656 O HOH E5014 52.681 50.658 22.508 1.00 11.25 O HETATM 2657 O HOH E5015 49.592 59.860 21.603 1.00 12.62 O HETATM 2658 O HOH E5016 53.674 60.977 26.325 1.00 12.58 O HETATM 2659 O HOH E5017 66.843 49.914 25.415 1.00 15.64 O HETATM 2660 O HOH E5018 59.093 45.389 27.781 1.00 15.50 O HETATM 2661 O HOH E5019 71.779 46.381 15.835 1.00 12.50 O HETATM 2662 O HOH E5020 55.092 46.872 21.007 1.00 8.67 O HETATM 2663 O HOH E5021 51.793 61.762 21.728 1.00 13.40 O HETATM 2664 O HOH E5022 68.994 44.127 18.489 1.00 14.26 O HETATM 2665 O HOH E5023 61.260 53.777 28.328 1.00 15.56 O HETATM 2666 O HOH E5024 54.872 66.514 19.597 1.00 15.59 O HETATM 2667 O HOH E5025 43.091 53.028 30.112 1.00 15.26 O HETATM 2668 O HOH E5026 44.166 56.489 10.848 1.00 12.76 O HETATM 2669 O HOH E5027 56.527 46.842 31.592 1.00 14.34 O HETATM 2670 O HOH E5028 71.257 51.929 3.736 1.00 14.09 O HETATM 2671 O HOH E5029 60.597 56.055 2.903 1.00 15.38 O HETATM 2672 O HOH E5030 68.033 64.048 1.176 1.00 14.74 O HETATM 2673 O HOH E5031 70.174 67.494 14.222 1.00 14.75 O HETATM 2674 O HOH E5032 52.307 47.647 1.800 1.00 14.39 O HETATM 2675 O HOH E5033 54.287 42.554 25.834 1.00 17.22 O HETATM 2676 O HOH E5034 62.508 57.681 4.175 1.00 13.28 O HETATM 2677 O HOH E5035 61.556 48.249 1.013 1.00 15.08 O HETATM 2678 O HOH E5036 43.086 51.163 31.927 1.00 18.09 O HETATM 2679 O HOH E5037 64.953 60.447 0.376 1.00 21.42 O HETATM 2680 O HOH E5038 62.967 56.573 0.458 1.00 18.83 O HETATM 2681 O HOH E5039 71.509 56.598 20.432 1.00 16.00 O HETATM 2682 O HOH E5040 36.753 44.150 26.988 1.00 17.23 O HETATM 2683 O HOH E5041 74.873 55.758 7.930 1.00 18.07 O HETATM 2684 O HOH E5042 40.480 43.957 24.308 1.00 15.63 O HETATM 2685 O HOH E5043 70.900 42.050 4.717 1.00 21.67 O HETATM 2686 O HOH E5044 36.967 52.972 10.617 1.00 28.05 O HETATM 2687 O HOH E5045 66.461 54.438 32.537 1.00 18.74 O HETATM 2688 O HOH E5046 56.399 61.273 26.277 1.00 21.12 O HETATM 2689 O HOH E5047 56.326 49.032 33.318 1.00 16.45 O HETATM 2690 O HOH E5048 75.477 52.582 15.442 1.00 18.10 O HETATM 2691 O HOH E5049 68.956 39.760 8.065 1.00 18.38 O HETATM 2692 O HOH E5050 51.597 44.910 1.385 1.00 20.59 O HETATM 2693 O HOH E5051 49.688 67.340 -1.521 1.00 21.47 O HETATM 2694 O HOH E5052 68.572 56.236 2.382 1.00 19.34 O HETATM 2695 O HOH E5053 71.988 54.045 2.467 1.00 19.86 O HETATM 2696 O HOH E5054 63.492 65.279 5.235 1.00 12.94 O HETATM 2697 O HOH E5055 70.791 63.256 3.546 1.00 22.83 O HETATM 2698 O HOH E5056 59.594 54.117 -5.679 1.00 15.73 O HETATM 2699 O HOH E5057 55.632 61.824 -7.856 1.00 21.74 O HETATM 2700 O HOH E5058 73.655 39.712 13.580 1.00 21.96 O HETATM 2701 O HOH E5059 72.645 49.136 20.549 1.00 20.21 O HETATM 2702 O HOH E5060 38.505 55.280 23.954 1.00 18.56 O HETATM 2703 O HOH E5061 36.526 55.180 17.732 1.00 21.33 O HETATM 2704 O HOH E5062 64.212 58.401 2.055 1.00 20.11 O HETATM 2705 O HOH E5063 72.448 65.071 4.301 1.00 24.44 O HETATM 2706 O HOH E5064 68.281 53.566 1.651 1.00 19.09 O HETATM 2707 O HOH E5065 37.586 57.581 27.115 1.00 22.63 O HETATM 2708 O HOH E5066 53.268 47.532 34.806 1.00 23.99 O HETATM 2709 O HOH E5067 63.968 62.466 -1.154 1.00 26.31 O HETATM 2710 O HOH E5068 61.036 59.892 -4.474 1.00 20.02 O HETATM 2711 O HOH E5069 78.466 54.189 16.975 1.00 46.52 O HETATM 2712 O HOH E5070 48.408 58.609 34.039 1.00 28.07 O HETATM 2713 O HOH E5071 68.071 41.568 19.189 1.00 19.93 O HETATM 2714 O HOH E5072 59.436 37.944 6.148 1.00 19.24 O HETATM 2715 O HOH E5073 46.843 53.094 36.698 1.00 24.13 O HETATM 2716 O HOH E5074 46.750 37.487 2.872 1.00 38.14 O HETATM 2717 O HOH E5075 50.845 62.140 -6.334 1.00 26.34 O HETATM 2718 O HOH E5076 61.370 63.840 25.561 1.00 21.92 O HETATM 2719 O HOH E5077 65.790 42.024 1.187 1.00 26.97 O HETATM 2720 O HOH E5078 74.348 42.287 12.507 1.00 24.05 O HETATM 2721 O HOH E5079 58.717 33.255 -1.673 1.00 23.84 O HETATM 2722 O HOH E5080 46.283 50.636 32.880 1.00 25.92 O HETATM 2723 O HOH E5081 55.291 44.007 28.998 1.00 29.80 O HETATM 2724 O HOH E5082 70.249 55.443 26.835 1.00 31.80 O HETATM 2725 O HOH E5083 66.583 43.535 21.474 1.00 28.71 O HETATM 2726 O HOH E5084 61.704 42.712 24.711 1.00 22.33 O HETATM 2727 O HOH E5085 72.428 65.867 8.224 1.00 32.08 O HETATM 2728 O HOH E5086 48.139 60.868 30.069 1.00 23.63 O HETATM 2729 O HOH E5087 69.571 49.235 24.977 1.00 26.81 O HETATM 2730 O HOH E5088 66.570 57.206 1.102 1.00 24.37 O HETATM 2731 O HOH E5089 51.776 45.395 27.575 1.00 27.42 O HETATM 2732 O HOH E5090 57.437 68.888 9.150 1.00 21.27 O HETATM 2733 O HOH E5091 63.879 56.695 31.107 1.00 27.28 O HETATM 2734 O HOH E5092 64.260 48.361 0.619 1.00 22.41 O HETATM 2735 O HOH E5093 47.460 55.059 -12.066 1.00 23.17 O HETATM 2736 O HOH E5094 67.362 50.835 27.879 1.00 26.54 O HETATM 2737 O HOH E5095 65.308 47.801 25.643 1.00 22.40 O HETATM 2738 O HOH E5096 40.622 54.486 -6.764 1.00 25.19 O HETATM 2739 O HOH E5097 56.507 57.927 -9.629 1.00 27.12 O HETATM 2740 O HOH E5098 63.128 66.168 21.483 1.00 22.32 O HETATM 2741 O HOH E5099 44.834 68.684 11.441 1.00 27.12 O HETATM 2742 O HOH E5100 72.218 58.224 3.455 1.00 25.15 O HETATM 2743 O HOH E5101 45.316 54.184 -8.632 1.00 28.02 O HETATM 2744 O HOH E5102 48.555 37.041 19.920 1.00 43.54 O HETATM 2745 O HOH E5103 49.293 60.380 -7.621 1.00 21.39 O HETATM 2746 O HOH E5104 51.658 64.210 23.346 1.00 32.85 O HETATM 2747 O HOH E5105 45.090 45.630 -4.688 1.00 38.25 O HETATM 2748 O HOH E5106 72.190 60.467 4.396 1.00 31.49 O HETATM 2749 O HOH E5107 43.178 62.952 21.568 1.00 29.20 O HETATM 2750 O HOH E5108 66.627 49.956 1.028 1.00 30.42 O HETATM 2751 O HOH E5109 71.830 54.940 24.800 1.00 28.09 O HETATM 2752 O HOH E5110 64.727 64.196 0.856 1.00 31.72 O HETATM 2753 O HOH E5111 33.331 49.659 5.314 1.00 23.43 O HETATM 2754 O HOH E5112 38.787 60.481 -0.898 1.00 26.74 O HETATM 2755 O HOH E5113 58.012 55.522 31.350 1.00 19.44 O HETATM 2756 O HOH E5114 54.142 56.669 -11.225 1.00 22.33 O HETATM 2757 O HOH E5115 74.314 54.664 3.875 1.00 18.76 O HETATM 2758 O HOH E5116 65.291 45.945 0.431 1.00 34.58 O HETATM 2759 O HOH E5117 78.719 68.647 12.483 1.00 30.25 O HETATM 2760 O HOH E5118 35.342 55.407 21.770 1.00 31.97 O HETATM 2761 O HOH E5119 40.801 50.875 -5.624 1.00 27.35 O HETATM 2762 O HOH E5120 33.128 47.427 30.667 1.00 31.04 O HETATM 2763 O HOH E5121 58.952 45.861 30.849 1.00 26.70 O HETATM 2764 O HOH E5122 38.319 44.534 22.812 1.00 26.02 O HETATM 2765 O HOH E5123 38.133 65.272 7.308 1.00 27.37 O HETATM 2766 O HOH E5124 74.335 51.330 20.085 1.00 28.49 O HETATM 2767 O HOH E5125 75.914 51.265 17.655 1.00 31.11 O HETATM 2768 O HOH E5126 49.856 34.076 4.558 1.00 22.66 O HETATM 2769 O HOH E5127 35.329 61.968 4.132 1.00 32.80 O HETATM 2770 O HOH E5128 44.009 65.181 -0.149 1.00 31.24 O HETATM 2771 O HOH E5129 68.069 52.783 29.123 1.00 24.46 O HETATM 2772 O HOH E5130 32.524 52.319 5.685 1.00 38.80 O HETATM 2773 O HOH E5131 49.813 66.618 20.279 1.00 26.78 O HETATM 2774 O HOH E5132 38.815 43.305 6.459 1.00 27.81 O HETATM 2775 O HOH E5133 45.170 61.289 28.245 1.00 30.80 O HETATM 2776 O HOH E5134 36.118 57.893 18.962 1.00 32.29 O HETATM 2777 O HOH E5135 37.475 48.141 20.943 1.00 35.90 O HETATM 2778 O HOH E5136 61.162 48.241 -2.428 1.00 18.05 O HETATM 2779 O HOH E5137 45.074 70.137 3.875 1.00 24.37 O HETATM 2780 O HOH E5138 33.042 58.280 10.670 1.00 43.26 O HETATM 2781 O HOH E5139 52.785 50.353 -9.907 1.00 28.28 O HETATM 2782 O HOH E5140 67.154 32.702 6.684 1.00 38.79 O HETATM 2783 O HOH E5141 70.040 68.981 6.930 1.00 31.23 O HETATM 2784 O HOH E5142 35.626 65.041 7.050 1.00 38.02 O HETATM 2785 O HOH E5143 35.597 50.717 2.945 1.00 26.50 O HETATM 2786 O HOH E5144 76.665 59.239 18.613 1.00 30.38 O HETATM 2787 O HOH E5145 61.925 67.389 16.923 1.00 34.00 O HETATM 2788 O HOH E5146 35.301 46.381 30.918 1.00 40.07 O HETATM 2789 O HOH E5147 50.235 42.684 0.727 1.00 26.63 O HETATM 2790 O HOH E5148 61.879 48.475 28.842 1.00 27.75 O HETATM 2791 O HOH E5149 45.865 38.051 19.018 1.00 32.05 O HETATM 2792 O HOH E5150 49.666 41.643 -1.597 1.00 43.79 O HETATM 2793 O HOH E5151 32.855 55.223 1.777 1.00 30.20 O HETATM 2794 O HOH E5152 56.202 60.579 -10.175 1.00 32.48 O HETATM 2795 O HOH E5153 36.393 62.678 23.810 1.00 32.00 O HETATM 2796 O HOH E5154 30.837 48.332 6.947 1.00 45.28 O HETATM 2797 O HOH E5155 48.912 40.428 2.782 1.00 27.59 O HETATM 2798 O HOH E5156 52.250 39.469 24.163 1.00 31.57 O HETATM 2799 O HOH E5157 54.919 54.563 -12.475 1.00 35.72 O HETATM 2800 O HOH E5158 67.388 44.026 2.286 1.00 36.58 O HETATM 2801 O HOH E5159 70.139 43.242 2.508 1.00 34.37 O HETATM 2802 O HOH E5160 39.185 43.982 18.407 1.00 33.61 O HETATM 2803 O HOH E5161 62.604 67.949 -0.247 1.00 34.92 O HETATM 2804 O HOH E5162 61.401 65.747 9.168 1.00 27.12 O HETATM 2805 O HOH E5163 51.216 69.501 -1.417 1.00 32.01 O HETATM 2806 O HOH E5164 61.828 40.513 23.394 1.00 31.21 O HETATM 2807 O HOH E5165 58.301 40.773 -8.460 1.00 39.66 O HETATM 2808 O HOH E5166 52.086 62.077 28.377 1.00 34.74 O HETATM 2809 O HOH E5167 56.770 28.590 -0.451 1.00 37.73 O HETATM 2810 O HOH E5168 60.030 58.631 -8.962 1.00 35.39 O HETATM 2811 O HOH E5169 63.743 65.827 7.966 1.00 30.10 O HETATM 2812 O HOH E5170 54.408 61.207 -12.026 1.00 33.50 O HETATM 2813 O HOH E5171 51.023 68.361 18.733 1.00 37.60 O HETATM 2814 O HOH E5172 60.953 47.304 30.989 1.00 36.30 O HETATM 2815 O HOH E5173 57.856 68.572 12.795 1.00 29.33 O HETATM 2816 O HOH E5174 51.619 32.149 5.321 1.00 25.74 O HETATM 2817 O HOH E5175 60.707 41.029 -7.095 1.00 34.83 O HETATM 2818 O HOH E5176 49.744 39.427 25.043 1.00 43.65 O HETATM 2819 O HOH E5177 60.055 42.709 27.352 1.00 38.16 O HETATM 2820 O HOH E5178 33.803 52.746 2.957 1.00 31.70 O HETATM 2821 O HOH E5179 63.994 43.382 25.003 1.00 33.58 O HETATM 2822 O HOH E5180 51.673 40.617 -2.246 1.00 40.49 O HETATM 2823 O HOH E5181 33.996 47.501 0.706 1.00 29.88 O HETATM 2824 O HOH E5182 54.887 40.026 26.240 1.00 40.34 O HETATM 2825 O HOH E5183 71.307 37.537 2.964 1.00 34.54 O HETATM 2826 O HOH E5184 36.767 50.248 28.818 1.00 26.31 O HETATM 2827 O HOH E5185 56.820 30.539 6.236 1.00 34.77 O HETATM 2828 O HOH E5186 51.896 66.538 22.388 1.00 40.95 O HETATM 2829 O HOH E5187 56.174 33.092 17.726 1.00 38.95 O HETATM 2830 O HOH E5188 35.343 63.195 17.400 1.00 40.92 O HETATM 2831 O HOH E5189 80.617 52.902 12.972 1.00 40.54 O HETATM 2832 O HOH E5190 70.208 53.139 28.126 1.00 34.62 O HETATM 2833 O HOH E5191 46.418 60.832 -8.084 1.00 39.86 O HETATM 2834 O HOH E5192 62.439 67.071 11.889 1.00 31.96 O HETATM 2835 O HOH E5193 50.537 70.293 10.463 1.00 35.05 O HETATM 2836 O HOH E5194 53.039 58.507 -12.772 1.00 42.29 O HETATM 2837 O HOH E5195 49.800 60.908 -10.417 1.00 35.82 O HETATM 2838 O HOH E5196 55.372 34.405 20.219 1.00 42.29 O HETATM 2839 O HOH E5197 57.561 38.258 25.376 1.00 36.35 O HETATM 2840 O HOH E5198 47.567 70.010 10.046 1.00 39.19 O HETATM 2841 O HOH E5199 59.104 47.477 -6.975 1.00 35.53 O HETATM 2842 O HOH E5200 50.481 58.823 -12.071 1.00 36.86 O HETATM 2843 O HOH E5201 63.556 65.695 26.829 1.00 44.68 O HETATM 2844 O HOH E5202 48.745 52.294 -13.221 1.00 36.25 O HETATM 2845 O HOH E5203 72.871 42.459 18.866 1.00 38.18 O HETATM 2846 O HOH E5204 63.696 31.727 9.593 1.00 32.61 O HETATM 2847 O HOH E5205 54.056 52.091 -11.812 1.00 40.32 O HETATM 2848 O HOH E5206 61.283 67.938 14.094 1.00 42.13 O HETATM 2849 O HOH E5207 35.455 50.412 16.764 1.00 36.36 O HETATM 2850 O HOH E5208 52.071 33.229 -0.975 1.00 43.63 O HETATM 2851 O HOH E5209 66.644 34.340 13.522 1.00 46.36 O HETATM 2852 O HOH E5210 34.175 57.409 24.620 1.00 35.23 O HETATM 2853 O HOH E5211 48.447 70.281 14.213 1.00 34.88 O HETATM 2854 O HOH E5212 64.362 47.679 28.027 1.00 41.78 O HETATM 2855 O HOH E5213 45.106 62.576 25.834 1.00 41.59 O HETATM 2856 O HOH E5214 36.229 49.731 -0.128 1.00 47.31 O HETATM 2857 O HOH E5215 54.257 69.139 16.009 1.00 37.35 O HETATM 2858 O HOH E5216 55.436 40.996 -4.810 1.00 34.87 O HETATM 2859 O HOH E5217 47.998 48.747 37.058 1.00 33.19 O HETATM 2860 O HOH E5218 55.091 32.054 12.861 1.00 35.52 O HETATM 2861 O HOH E5219 54.014 43.051 -9.040 1.00 47.03 O HETATM 2862 O HOH E5220 71.106 39.539 5.873 1.00 41.70 O HETATM 2863 O HOH E5221 67.419 40.495 -0.731 1.00 43.41 O HETATM 2864 O HOH E5222 65.883 69.903 1.859 1.00 47.12 O HETATM 2865 O HOH E5223 59.966 31.471 17.635 1.00 33.34 O HETATM 2866 O HOH E5224 58.714 49.762 -8.590 1.00 39.25 O HETATM 2867 O HOH E5225 74.698 61.696 4.001 1.00 44.10 O HETATM 2868 O HOH E5226 52.664 34.624 20.803 1.00 35.97 O HETATM 2869 O HOH E5227 64.152 66.533 24.173 1.00 36.92 O HETATM 2870 O HOH E5228 60.990 31.420 8.397 1.00 33.93 O HETATM 2871 O HOH E5229 61.386 54.048 -8.093 1.00 33.41 O HETATM 2872 O HOH E5230 64.814 67.126 3.585 1.00 32.04 O HETATM 2873 O HOH E5231 71.800 40.566 0.835 1.00 49.82 O HETATM 2874 O HOH E5232 45.901 58.658 35.702 1.00 36.33 O HETATM 2875 O HOH E5233 71.438 44.367 19.869 1.00 43.67 O HETATM 2876 O HOH E5234 64.216 67.791 18.886 1.00 33.91 O HETATM 2877 O HOH E5235 47.648 68.275 20.327 1.00 47.99 O HETATM 2878 O HOH E5236 45.778 70.022 14.154 1.00 38.14 O HETATM 2879 O HOH E5237 53.493 63.346 -8.293 1.00 40.57 O HETATM 2880 O HOH E5238 47.408 64.107 26.497 1.00 41.56 O HETATM 2881 O HOH E5239 41.624 68.316 8.627 1.00 48.71 O HETATM 2882 O HOH E5240 58.314 70.587 7.166 1.00 39.98 O HETATM 2883 O HOH E5241 50.660 46.863 34.981 1.00 45.57 O HETATM 2884 O HOH E5242 51.447 69.468 -4.388 1.00 44.54 O HETATM 2885 O HOH E5243 72.860 37.525 8.713 1.00 43.17 O HETATM 2886 O HOH E5244 44.934 71.021 7.561 1.00 39.52 O HETATM 2887 O HOH E5245 71.111 50.733 27.061 1.00 52.35 O HETATM 2888 O HOH E5246 52.128 31.782 1.441 1.00 41.88 O HETATM 2889 O HOH E5247 63.139 45.248 31.124 1.00 38.07 O HETATM 2890 O HOH E5248 60.735 30.260 0.023 1.00 37.83 O HETATM 2891 O HOH E5249 34.589 53.077 18.088 1.00 46.27 O HETATM 2892 O HOH E5250 63.644 47.916 -3.129 1.00 40.61 O HETATM 2893 O HOH E5251 46.385 69.601 18.113 1.00 35.75 O HETATM 2894 O HOH E5252 55.656 68.739 -2.582 1.00 41.67 O HETATM 2895 O HOH E5253 45.465 67.685 0.443 1.00 43.35 O HETATM 2896 O HOH E5254 30.180 59.997 8.224 1.00 35.91 O HETATM 2897 O HOH E5255 53.163 47.301 37.551 1.00 41.71 O HETATM 2898 O HOH E5256 52.130 62.410 -11.094 1.00 42.70 O HETATM 2899 O HOH E5257 46.904 68.728 -1.689 1.00 46.60 O HETATM 2900 O HOH E5258 44.108 59.144 -7.756 1.00 39.10 O HETATM 2901 O HOH E5259 54.589 45.349 33.186 1.00 41.20 O HETATM 2902 O HOH E5260 48.057 57.601 -13.462 1.00 39.85 O HETATM 2903 O HOH E5261 50.304 72.897 1.937 1.00 42.89 O HETATM 2904 O HOH E5262 43.251 60.350 -5.686 1.00 35.25 O HETATM 2905 O HOH E5263 50.336 34.742 17.631 1.00 41.78 O HETATM 2906 O HOH E5264 57.776 33.157 14.354 1.00 46.77 O HETATM 2907 O HOH E5265 73.246 46.322 20.957 1.00 44.92 O HETATM 2908 O HOH E5266 68.644 37.032 17.390 1.00 38.57 O HETATM 2909 O HOH E5267 46.973 63.147 -6.359 1.00 39.27 O HETATM 2910 O HOH E5268 50.734 35.080 14.998 1.00 39.63 O HETATM 2911 O HOH E5269 36.451 55.674 25.301 1.00 37.14 O HETATM 2912 O HOH E5270 65.131 32.535 -2.799 1.00 45.80 O HETATM 2913 O HOH E5271 51.216 31.646 8.390 1.00 38.60 O HETATM 2914 O HOH E5272 53.044 43.735 27.588 1.00 37.02 O HETATM 2915 O HOH E5273 48.220 33.930 14.092 1.00 41.77 O HETATM 2916 O HOH E5274 65.098 68.268 8.657 1.00 41.57 O HETATM 2917 O HOH E5275 33.740 57.705 19.626 1.00 50.49 O HETATM 2918 O HOH E5276 42.848 60.724 24.194 1.00 27.63 O HETATM 2919 O HOH E5277 32.178 54.581 -0.880 1.00 46.94 O HETATM 2920 O HOH E5278 35.776 48.845 -6.319 1.00 41.79 O HETATM 2921 O HOH E5279 43.636 56.297 -8.174 1.00 41.50 O HETATM 2922 O HOH E5280 59.096 43.091 31.800 1.00 38.01 O HETATM 2923 O HOH E5281 63.681 54.562 29.444 1.00 12.89 O HETATM 2924 O HOH E5282 76.974 42.704 18.335 1.00 35.20 O HETATM 2925 O HOH E5283 56.671 46.580 -9.069 1.00 43.42 O HETATM 2926 O HOH E5284 74.593 58.036 6.608 1.00 34.17 O HETATM 2927 O HOH E5285 59.350 37.892 -7.694 1.00 51.09 O HETATM 2928 O HOH E5286 60.579 44.953 -7.293 1.00 34.56 O HETATM 2929 O HOH E5287 58.640 29.641 -7.314 1.00 44.52 O HETATM 2930 O HOH E5288 78.539 57.388 17.215 1.00 25.93 O HETATM 2931 O HOH E5289 67.014 45.279 24.799 1.00 46.99 O HETATM 2932 O HOH E5290 67.208 32.108 -0.205 1.00 44.22 O HETATM 2933 O HOH E5291 56.718 67.187 23.817 1.00 41.27 O HETATM 2934 O HOH E5292 65.828 32.931 16.421 1.00 46.25 O HETATM 2935 O HOH E5293 53.984 54.434 -15.510 1.00 46.68 O HETATM 2936 O HOH E5294 43.335 63.373 24.002 1.00 36.83 O HETATM 2937 O HOH E5295 74.149 39.999 16.239 1.00 30.05 O HETATM 2938 O HOH E5296 35.240 56.935 -3.967 1.00 43.00 O HETATM 2939 O HOH E5297 75.367 59.085 9.871 1.00 35.77 O HETATM 2940 O HOH E5298 49.104 48.631 31.923 1.00 22.83 O HETATM 2941 O HOH E5299 33.157 46.691 27.803 1.00 64.22 O HETATM 2942 O HOH E5300 65.130 52.939 30.652 1.00 57.82 O HETATM 2943 O HOH E5301 31.541 63.051 2.065 1.00 42.62 O HETATM 2944 O HOH E5302 36.886 60.363 -2.868 1.00 40.84 O HETATM 2945 O HOH E5303 47.050 36.671 5.079 1.00 37.11 O HETATM 2946 O HOH E5304 60.889 51.155 -9.406 1.00 43.78 O HETATM 2947 O HOH E5305 49.593 70.363 17.105 1.00 43.16 O HETATM 2948 O HOH E5306 43.462 70.006 9.320 1.00 47.30 O HETATM 2949 O HOH E5307 55.997 70.107 15.102 1.00 42.47 O HETATM 2950 O HOH E5308 43.178 66.057 21.183 1.00 53.96 O HETATM 2951 O HOH E5309 74.173 59.917 22.066 1.00 39.97 O HETATM 2952 O HOH E5310 57.898 61.592 28.503 1.00 22.27 O HETATM 2953 O HOH E5311 45.404 55.083 -11.194 1.00 47.63 O HETATM 2954 O HOH E5312 74.982 52.652 25.833 1.00 50.64 O HETATM 2955 O HOH E5313 77.393 66.765 8.296 1.00 41.13 O HETATM 2956 O HOH E5314 38.986 68.208 16.158 1.00 45.27 O HETATM 2957 O HOH E5315 65.391 50.446 30.457 0.50 28.40 O HETATM 2958 O HOH E5316 80.486 62.028 16.632 1.00 44.86 O HETATM 2959 O HOH E5317 53.789 71.864 2.388 1.00 49.24 O HETATM 2960 O HOH E5318 80.184 59.272 17.922 1.00 57.41 O HETATM 2961 O HOH E5319 50.572 64.515 25.832 1.00 38.67 O HETATM 2962 O HOH E5320 41.539 61.338 25.697 1.00 39.25 O HETATM 2963 O HOH E5321 59.161 70.994 4.411 1.00 46.44 O HETATM 2964 O HOH E5322 46.431 49.528 -11.375 1.00 47.42 O HETATM 2965 O HOH E5323 70.261 34.459 12.667 1.00 47.55 O HETATM 2966 O HOH E5324 49.995 72.053 -0.683 1.00 44.33 O HETATM 2967 O HOH E5325 61.590 38.155 -6.777 1.00 50.41 O HETATM 2968 O HOH E5326 30.546 52.753 9.386 1.00 48.53 O HETATM 2969 O HOH E5327 39.457 61.620 -5.302 1.00 43.27 O HETATM 2970 O HOH E5328 60.413 31.590 10.915 1.00 40.00 O HETATM 2971 O HOH E5329 68.622 36.568 -1.060 1.00 40.70 O HETATM 2972 O HOH E5330 61.664 72.007 5.699 1.00 60.49 O HETATM 2973 O HOH E5331 37.576 62.785 0.315 1.00 49.13 O HETATM 2974 O HOH E5332 38.501 55.421 -6.439 1.00 49.70 O HETATM 2975 O HOH E5333 73.287 50.561 26.187 1.00 43.63 O HETATM 2976 O HOH E5334 48.750 42.250 28.981 1.00 46.08 O HETATM 2977 O HOH E5335 67.282 43.020 -1.673 1.00 48.51 O HETATM 2978 O HOH E5336 54.373 33.702 14.616 1.00 43.11 O HETATM 2979 O HOH E5337 46.331 72.507 2.544 1.00 52.06 O HETATM 2980 O HOH E5338 78.273 51.706 19.242 1.00 47.65 O HETATM 2981 O HOH E5339 48.360 45.368 27.963 1.00 42.68 O HETATM 2982 O HOH E5340 53.801 36.277 -5.329 1.00 48.21 O HETATM 2983 O HOH E5341 65.862 71.751 12.380 1.00 44.79 O HETATM 2984 O HOH E5342 58.353 64.472 32.038 1.00 53.64 O HETATM 2985 O HOH E5343 58.908 34.040 20.586 1.00 43.88 O HETATM 2986 O HOH E5344 64.278 71.943 14.379 1.00 35.59 O HETATM 2987 O HOH E5345 47.468 47.212 29.129 1.00 42.50 O HETATM 2988 O HOH E5346 62.512 67.348 28.303 1.00 45.25 O HETATM 2989 O HOH E5347 58.312 55.525 -11.709 1.00 47.62 O HETATM 2990 O HOH E5348 47.146 62.981 28.930 1.00 38.58 O HETATM 2991 O HOH E5349 37.029 60.788 19.319 1.00 45.46 O HETATM 2992 O HOH E5350 55.121 31.254 -6.613 1.00 45.15 O HETATM 2993 O HOH E5351 55.351 68.252 21.614 1.00 46.38 O HETATM 2994 O HOH E5352 56.283 37.102 20.299 1.00 24.58 O HETATM 2995 O HOH E5353 55.477 36.925 23.014 1.00 52.61 O HETATM 2996 O HOH E5354 35.146 50.452 -2.293 1.00 47.02 O HETATM 2997 O HOH E5355 68.515 46.936 -0.212 1.00 41.81 O HETATM 2998 O HOH E5356 72.583 35.415 12.233 1.00 57.25 O HETATM 2999 O HOH E5357 68.614 50.242 -0.312 1.00 47.62 O HETATM 3000 O HOH E5358 39.309 63.456 24.012 1.00 44.37 O HETATM 3001 O HOH E5359 61.167 68.292 24.391 1.00 47.96 O HETATM 3002 O HOH E5360 69.980 39.839 19.335 1.00 42.28 O HETATM 3003 O HOH E5361 57.024 41.664 28.402 1.00 46.70 O HETATM 3004 O HOH E5362 29.883 52.421 4.892 1.00 48.01 O HETATM 3005 O HOH E5363 32.548 49.150 -3.082 1.00 49.11 O HETATM 3006 O HOH E5364 78.988 48.949 19.479 1.00 57.29 O HETATM 3007 O HOH E5365 51.658 38.036 -3.635 1.00 53.88 O HETATM 3008 O HOH E5366 44.336 65.082 -3.095 1.00 43.49 O HETATM 3009 O HOH E5367 70.735 42.999 22.532 1.00 43.32 O HETATM 3010 O HOH E5368 46.582 40.694 4.045 1.00 25.29 O HETATM 3011 O HOH E5369 81.349 61.799 11.088 1.00 49.65 O HETATM 3012 O HOH E5370 70.561 64.368 7.228 0.50 2.82 O HETATM 3013 O HOH E5371 35.299 44.671 29.253 1.00 54.23 O HETATM 3014 O HOH E5372 78.234 59.901 20.484 1.00 49.81 O HETATM 3015 O HOH E5373 75.037 62.980 14.102 0.50 10.93 O HETATM 3016 O HOH E5374 77.406 61.626 18.996 0.50 16.28 O HETATM 3017 O HOH E5375 51.489 45.664 -10.028 1.00 39.71 O HETATM 3018 O HOH E5376 54.388 30.686 4.275 1.00 45.47 O HETATM 3019 O HOH E5377 57.404 52.311 -12.559 1.00 45.72 O HETATM 3020 O HOH E5378 60.019 38.709 25.771 1.00 50.54 O HETATM 3021 O HOH E5379 34.219 46.723 11.461 1.00 44.50 O HETATM 3022 O HOH E5380 75.867 63.785 4.149 1.00 48.65 O HETATM 3023 O HOH E5381 49.397 31.537 12.472 1.00 46.88 O HETATM 3024 O HOH E5382 46.548 61.061 -10.805 1.00 43.37 O HETATM 3025 O HOH E5383 50.450 35.775 -2.628 1.00 48.30 O HETATM 3026 O HOH E5384 65.016 29.048 0.920 1.00 43.71 O HETATM 3027 O HOH E5385 44.998 38.034 16.249 1.00 38.55 O HETATM 3028 O HOH E5386 39.218 65.309 3.665 1.00 45.50 O HETATM 3029 O HOH E5387 61.937 35.451 23.870 1.00 52.38 O HETATM 3030 O HOH E5388 37.168 44.844 16.517 1.00 44.22 O HETATM 3031 O HOH E5389 64.369 39.456 20.801 1.00 47.03 O HETATM 3032 O HOH E5390 59.493 69.081 3.154 1.00 20.28 O HETATM 3033 O HOH I 84 30.077 29.059 -8.384 1.00 13.14 O HETATM 3034 O HOH I 85 27.705 22.953 3.397 1.00 12.57 O HETATM 3035 O HOH I 86 28.868 25.445 3.978 1.00 14.84 O HETATM 3036 O HOH I 87 26.933 30.603 0.102 1.00 15.30 O HETATM 3037 O HOH I 88 42.019 36.589 4.598 1.00 15.95 O HETATM 3038 O HOH I 89 39.880 36.154 -2.508 1.00 17.41 O HETATM 3039 O HOH I 90 41.995 36.074 1.079 1.00 17.28 O HETATM 3040 O HOH I 91 31.406 31.187 10.662 1.00 15.10 O HETATM 3041 O HOH I 92 30.913 25.609 -9.976 1.00 16.78 O HETATM 3042 O HOH I 93 46.497 38.917 6.496 1.00 19.20 O HETATM 3043 O HOH I 94 42.472 36.601 -1.623 1.00 25.59 O HETATM 3044 O HOH I 95 34.337 36.951 -13.558 1.00 19.62 O HETATM 3045 O HOH I 96 47.597 32.587 5.532 1.00 20.06 O HETATM 3046 O HOH I 97 41.658 44.526 10.380 1.00 22.00 O HETATM 3047 O HOH I 98 45.427 35.365 -6.297 1.00 27.20 O HETATM 3048 O HOH I 99 27.363 30.212 2.947 1.00 27.50 O HETATM 3049 O HOH I 100 31.156 40.749 3.813 1.00 23.61 O HETATM 3050 O HOH I 101 25.312 22.324 1.790 1.00 28.71 O HETATM 3051 O HOH I 102 43.602 41.830 14.604 1.00 29.66 O HETATM 3052 O HOH I 103 26.597 28.268 6.697 1.00 24.61 O HETATM 3053 O HOH I 104 25.804 20.808 -0.298 1.00 30.58 O HETATM 3054 O HOH I 105 43.632 37.806 2.577 1.00 22.94 O HETATM 3055 O HOH I 106 31.413 34.348 8.232 1.00 26.35 O HETATM 3056 O HOH I 107 38.066 42.572 9.255 1.00 28.12 O HETATM 3057 O HOH I 108 43.894 43.885 -1.364 1.00 39.20 O HETATM 3058 O HOH I 109 32.367 22.295 -7.791 1.00 55.63 O HETATM 3059 O HOH I 110 23.830 25.075 -1.295 1.00 37.16 O HETATM 3060 O HOH I 111 44.977 41.461 -0.290 1.00 25.76 O HETATM 3061 O HOH I 112 30.873 42.712 -6.932 1.00 28.83 O HETATM 3062 O HOH I 113 25.105 36.620 -2.438 1.00 30.21 O HETATM 3063 O HOH I 114 34.652 44.384 -7.327 1.00 26.52 O HETATM 3064 O HOH I 115 38.088 35.530 -11.551 1.00 32.14 O HETATM 3065 O HOH I 116 27.483 32.428 4.374 1.00 33.19 O HETATM 3066 O HOH I 117 34.714 21.930 1.214 1.00 35.77 O HETATM 3067 O HOH I 118 29.274 27.419 10.202 1.00 26.05 O HETATM 3068 O HOH I 119 38.070 29.517 12.131 1.00 34.20 O HETATM 3069 O HOH I 120 29.973 42.079 -3.383 1.00 27.05 O HETATM 3070 O HOH I 121 37.909 38.219 -12.303 1.00 32.74 O HETATM 3071 O HOH I 122 25.703 33.137 0.120 1.00 40.14 O HETATM 3072 O HOH I 123 29.691 33.959 5.320 1.00 37.57 O HETATM 3073 O HOH I 124 38.851 21.129 7.434 1.00 34.97 O HETATM 3074 O HOH I 125 38.460 25.073 11.148 1.00 39.08 O HETATM 3075 O HOH I 126 23.935 31.326 -1.468 1.00 31.00 O HETATM 3076 O HOH I 127 40.779 44.934 12.888 1.00 52.16 O HETATM 3077 O HOH I 128 45.776 35.599 14.344 1.00 34.75 O HETATM 3078 O HOH I 129 43.853 29.401 -8.702 1.00 29.38 O HETATM 3079 O HOH I 130 35.960 43.837 -11.770 1.00 32.20 O HETATM 3080 O HOH I 131 28.216 42.303 -8.475 1.00 36.77 O HETATM 3081 O HOH I 132 28.822 31.656 9.422 1.00 37.79 O HETATM 3082 O HOH I 133 42.790 42.970 -4.208 1.00 32.47 O HETATM 3083 O HOH I 134 44.287 40.552 2.502 1.00 26.20 O HETATM 3084 O HOH I 135 32.202 43.935 -2.979 1.00 42.07 O HETATM 3085 O HOH I 136 35.069 32.854 -13.962 1.00 34.29 O HETATM 3086 O HOH I 137 45.870 41.549 5.847 1.00 39.76 O HETATM 3087 O HOH I 138 28.556 20.169 -0.285 1.00 37.57 O HETATM 3088 O HOH I 139 45.924 34.984 -1.868 1.00 40.71 O HETATM 3089 O HOH I 140 27.349 24.211 -4.246 1.00 24.50 O HETATM 3090 O HOH I 141 37.967 22.435 -0.064 1.00 33.22 O HETATM 3091 O HOH I 142 36.712 45.977 -7.852 1.00 33.90 O HETATM 3092 O HOH I 143 32.334 44.523 -0.503 1.00 41.24 O HETATM 3093 O HOH I 144 31.168 23.052 -4.288 1.00 34.98 O HETATM 3094 O HOH I 145 31.635 20.891 -1.417 1.00 42.32 O HETATM 3095 O HOH I 146 29.347 22.958 -2.663 1.00 43.45 O HETATM 3096 O HOH I 147 40.009 25.829 13.207 1.00 45.58 O HETATM 3097 O HOH I 148 27.556 39.477 -2.767 1.00 38.17 O HETATM 3098 O HOH I 149 26.536 35.530 -0.257 1.00 49.30 O HETATM 3099 O HOH I 150 37.498 23.080 -2.410 1.00 34.99 O HETATM 3100 O HOH I 151 40.172 25.004 8.924 1.00 39.63 O HETATM 3101 O HOH I 152 44.943 24.405 -0.412 1.00 43.06 O HETATM 3102 O HOH I 153 39.135 40.888 -11.735 1.00 42.02 O HETATM 3103 O HOH I 154 28.060 43.733 -12.462 1.00 37.17 O HETATM 3104 O HOH I 155 39.260 41.464 16.769 1.00 51.44 O HETATM 3105 O HOH I 156 29.245 42.973 -17.593 1.00 42.35 O HETATM 3106 O HOH I 157 40.493 28.392 -9.894 1.00 47.03 O HETATM 3107 O HOH I 158 43.425 51.801 -8.847 1.00 45.90 O HETATM 3108 O HOH I 159 47.558 29.570 -4.577 1.00 48.80 O HETATM 3109 O HOH I 160 29.863 36.605 4.729 1.00 55.38 O HETATM 3110 O HOH I 161 41.552 40.158 16.357 1.00 41.77 O HETATM 3111 O HOH I 162 30.715 32.171 12.900 1.00 46.15 O HETATM 3112 O HOH I 163 45.668 39.924 14.822 1.00 18.43 O HETATM 3113 O HOH I 164 36.729 28.572 -11.870 1.00 43.51 O HETATM 3114 O HOH I 165 36.000 25.906 14.674 1.00 43.82 O HETATM 3115 O HOH I 166 32.713 43.982 3.398 1.00 46.68 O HETATM 3116 O HOH I 167 36.266 24.677 -7.230 1.00 49.82 O HETATM 3117 O HOH I 168 36.522 26.589 11.839 1.00 22.75 O HETATM 3118 O HOH I 169 46.095 25.089 2.608 1.00 39.20 O HETATM 3119 O HOH I 170 35.091 40.321 -14.885 1.00 43.55 O HETATM 3120 O HOH I 171 51.413 29.824 -0.379 1.00 48.40 O HETATM 3121 O HOH I 172 29.743 45.325 -14.177 1.00 52.34 O HETATM 3122 O HOH I 173 50.272 35.548 -7.161 1.00 50.49 O HETATM 3123 O HOH I 174 47.828 30.240 3.968 1.00 49.27 O HETATM 3124 O HOH I 175 43.758 48.962 -8.062 1.00 46.16 O HETATM 3125 O HOH I 176 42.368 43.163 12.645 0.50 30.62 O HETATM 3126 O HOH I 177 42.715 22.842 9.232 1.00 53.95 O HETATM 3127 O HOH I 178 47.631 28.446 -2.405 1.00 44.63 O HETATM 3128 O HOH I 179 41.944 27.736 9.395 1.00 45.27 O HETATM 3129 O HOH I 180 48.463 32.033 -3.897 1.00 47.81 O HETATM 3130 O HOH I 181 47.953 25.132 5.569 1.00 48.64 O HETATM 3131 O HOH I 182 42.153 35.100 15.157 1.00 55.68 O HETATM 3132 O HOH I 183 32.372 44.955 -5.402 1.00 40.37 O HETATM 3133 O HOH I 184 45.064 23.997 9.375 1.00 61.90 O HETATM 3134 O HOH I 185 28.618 39.148 1.842 1.00 45.60 O HETATM 3135 O HOH I 186 44.908 28.500 10.200 1.00 51.97 O HETATM 3136 O HOH I 187 23.679 28.153 7.143 1.00 45.70 O HETATM 3137 O HOH I 188 47.966 33.687 -5.915 1.00 45.83 O HETATM 3138 O HOH I 189 36.076 23.622 -4.313 1.00 44.06 O HETATM 3139 O HOH I 190 36.347 39.675 16.059 1.00 56.42 O HETATM 3140 O HOH I 191 30.543 40.806 6.475 1.00 47.03 O HETATM 3141 O HOH I 192 37.293 30.181 -14.282 1.00 48.90 O HETATM 3142 O HOH I 193 44.168 40.701 -6.942 1.00 35.39 O HETATM 3143 O HOH I 194 46.739 38.089 -5.573 1.00 44.48 O HETATM 3144 O HOH I 195 40.656 21.709 5.862 1.00 57.29 O HETATM 3145 O HOH I 196 38.427 38.264 -14.947 1.00 48.17 O HETATM 3146 O HOH I 197 24.019 24.616 0.952 1.00 47.76 O HETATM 3147 O HOH I 198 26.571 31.135 6.924 1.00 41.00 O HETATM 3148 O HOH I 199 41.047 34.758 -12.761 1.00 39.29 O HETATM 3149 O HOH I 200 25.286 33.927 2.854 1.00 44.48 O CONECT 13 2563 CONECT 298 2563 CONECT 534 2563 CONECT 553 2563 CONECT 564 2563 CONECT 576 2563 CONECT 1179 2564 CONECT 1192 2564 CONECT 1217 2564 CONECT 2563 13 298 534 553 CONECT 2563 564 576 CONECT 2564 1179 1192 1217 2677 CONECT 2564 2778 CONECT 2565 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 2569 CONECT 2569 2568 2570 2571 2575 CONECT 2570 2569 CONECT 2571 2569 2572 CONECT 2572 2571 2573 2574 CONECT 2573 2572 CONECT 2574 2572 CONECT 2575 2569 2576 2577 CONECT 2576 2575 CONECT 2577 2575 CONECT 2578 2580 2582 2584 CONECT 2579 2581 2583 2584 CONECT 2580 2578 CONECT 2581 2579 CONECT 2582 2578 CONECT 2583 2579 CONECT 2584 2578 2579 2585 CONECT 2585 2584 2586 2587 2591 CONECT 2586 2585 CONECT 2587 2585 2588 CONECT 2588 2587 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2585 2592 2593 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2595 2596 2597 CONECT 2595 2594 CONECT 2596 2594 CONECT 2597 2594 2598 CONECT 2598 2597 2599 2600 2604 CONECT 2599 2598 CONECT 2600 2598 2601 CONECT 2601 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2598 2605 2606 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2608 CONECT 2608 2607 2609 CONECT 2609 2608 2610 CONECT 2610 2609 2611 CONECT 2611 2610 2612 CONECT 2612 2611 2613 CONECT 2613 2612 2614 CONECT 2614 2613 2615 CONECT 2615 2614 2616 CONECT 2616 2615 2617 CONECT 2617 2616 CONECT 2618 2619 CONECT 2619 2618 2620 CONECT 2620 2619 2621 CONECT 2621 2620 2622 CONECT 2622 2621 2623 CONECT 2623 2622 2624 CONECT 2624 2623 2625 CONECT 2625 2624 2626 CONECT 2626 2625 2627 CONECT 2627 2626 2628 CONECT 2628 2627 2629 CONECT 2629 2628 2630 CONECT 2630 2629 2631 CONECT 2631 2630 2632 CONECT 2632 2631 2633 CONECT 2633 2632 CONECT 2634 2635 CONECT 2635 2634 2636 CONECT 2636 2635 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 2640 CONECT 2640 2639 2641 CONECT 2641 2640 2642 CONECT 2642 2641 2643 CONECT 2643 2642 2644 CONECT 2644 2643 2645 CONECT 2645 2644 CONECT 2677 2564 CONECT 2778 2564 MASTER 444 0 8 11 15 0 20 6 3084 2 96 27 END
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Related entries of code: 1y3b
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
64aa, >1Y48_2|Chain... at 92%
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RCSB PDB
PDBbind
64aa, >1Y4A_2|Chain... at 90%
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1tm1
RCSB PDB
PDBbind
64-mer
1tm3
RCSB PDB
PDBbind
64-mer
1tm4
RCSB PDB
PDBbind
64-mer
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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
1y1k
RCSB PDB
PDBbind
64-mer
1y33
RCSB PDB
PDBbind
64-mer
1y34
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
64-mer
1y3d
RCSB PDB
PDBbind
64-mer
1y48
RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y3b
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
subtilisin bpn
Ligand Name
64-mer
EC.Number
E.C.3.4.21.62
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.31nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v44 pp. 6823-30, 2005
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00782
Q40059
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
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