Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 23-NOV-04 1Y33 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 T58P 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: PCI2T58P 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 1Y33 1 REMARK REVDAT 2 24-FEB-09 1Y33 1 VERSN REVDAT 1 17-MAY-05 1Y33 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 (%) : 97.7 REMARK 3 NUMBER OF REFLECTIONS : 42666 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) : 0.154 REMARK 3 R VALUE (WORKING SET) : 0.152 REMARK 3 FREE R VALUE : 0.179 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2232 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) : 2934 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2240 REMARK 3 BIN FREE R VALUE SET COUNT : 157 REMARK 3 BIN FREE R VALUE : 0.2410 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2509 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 81 REMARK 3 SOLVENT ATOMS : 479 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.38 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.35000 REMARK 3 B22 (A**2) : 0.35000 REMARK 3 B33 (A**2) : -0.52000 REMARK 3 B12 (A**2) : 0.17000 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): 0.091 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.090 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.056 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.835 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.964 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.952 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2711 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3679 ; 1.813 ; 1.963 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 347 ; 5.883 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 410 ; 0.138 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2037 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1324 ; 0.223 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 389 ; 0.175 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 7 ; 0.060 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 41 ; 0.417 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 49 ; 0.240 ; 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): 1723 ; 0.960 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2786 ; 1.621 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 988 ; 2.597 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 891 ; 4.241 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1Y33 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-NOV-04. REMARK 100 THE DEPOSITION ID IS D_1000031054. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-MAR-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 : 44898 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 (%) : 98.1 REMARK 200 DATA REDUNDANCY : 20.30 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.14500 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 20.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: 1TM3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, ISOPROPANOL, PEG 2000, REMARK 280 PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 124.47733 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 62.23867 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 93.35800 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 31.11933 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 155.59667 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 124.47733 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 62.23867 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 31.11933 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 93.35800 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 155.59667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 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: 2400 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13330 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 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 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 OE2 GLU I 60 O HOH I 167 2.01 REMARK 500 CD2 TYR E 217 O HOH I 167 2.17 REMARK 500 O HOH E 5329 O HOH E 5330 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 1.70 REMARK 500 O HOH E 5364 O HOH I 98 10665 2.19 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 LEU E 126 CA - CB - CG ANGL. DEV. = 15.2 DEGREES REMARK 500 ASP E 259 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP I 74 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 THR E 22 16.01 -141.41 REMARK 500 ASP E 32 -151.99 -171.77 REMARK 500 SER E 63 -23.48 105.66 REMARK 500 ALA E 73 24.46 -151.77 REMARK 500 ASN E 77 -158.05 -162.99 REMARK 500 ASP E 99 -4.76 -56.91 REMARK 500 SER E 159 68.20 -155.03 REMARK 500 LEU E 257 -122.98 -116.90 REMARK 500 ASP I 74 30.65 71.83 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 E1003 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 160.5 REMARK 620 3 LEU E 75 O 76.3 87.6 REMARK 620 4 ASN E 77 OD1 85.4 84.1 91.9 REMARK 620 5 ILE E 79 O 101.8 92.4 170.9 79.0 REMARK 620 6 VAL E 81 O 91.6 100.1 92.3 174.1 96.7 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 91.4 REMARK 620 3 VAL E 174 O 107.9 88.3 REMARK 620 4 HOH E5138 O 102.5 88.8 149.5 REMARK 620 5 HOH E5035 O 107.5 160.8 82.8 90.3 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 1003 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: 1Y34 RELATED DB: PDB REMARK 900 RELATED ID: 1Y3B RELATED DB: PDB REMARK 900 RELATED ID: 1Y3C RELATED DB: PDB REMARK 900 RELATED ID: 1Y3D RELATED DB: PDB REMARK 900 RELATED ID: 1Y3F RELATED DB: PDB REMARK 900 RELATED ID: 1Y48 RELATED DB: PDB REMARK 900 RELATED ID: 1Y4A RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y33 E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y33 I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y33 HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y33 HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y33 HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y33 HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y33 HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y33 HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y33 MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y33 PRO I 58 UNP Q40059 THR 59 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 PRO SEQRES 4 I 64 MET GLU TYR ARG ILE ASP ARG VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1003 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 13 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 *479(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 GLN E 103 ASN E 117 1 15 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O TYR E 91 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O ALA E 200 N GLY E 178 SHEET 1 B 2 LEU E 126 GLY E 127 0 SHEET 2 B 2 VAL I 57 PRO I 58 -1 O VAL I 57 N GLY E 127 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O ASP I 64 N GLN I 47 SHEET 3 D 3 ARG I 81 GLY I 83 -1 O GLY I 83 N ARG I 62 LINK OE1 GLN E 2 CA CA E1003 1555 1555 2.42 LINK OD1 ASP E 41 CA CA E1003 1555 1555 2.43 LINK O LEU E 75 CA CA E1003 1555 1555 2.36 LINK OD1 ASN E 77 CA CA E1003 1555 1555 2.42 LINK O ILE E 79 CA CA E1003 1555 1555 2.40 LINK O VAL E 81 CA CA E1003 1555 1555 2.38 LINK O GLY E 169 NA NA E1002 1555 1555 2.42 LINK O TYR E 171 NA NA E1002 1555 1555 2.35 LINK O VAL E 174 NA NA E1002 1555 1555 2.28 LINK NA NA E1002 O HOH E5138 1555 1555 2.44 LINK NA NA E1002 O HOH E5035 1555 1555 2.47 CISPEP 1 TYR E 167 PRO E 168 0 7.41 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 E5138 SITE 1 AC3 13 ALA E 1 TYR E 21 LYS E 237 HIS E 238 SITE 2 AC3 13 ASN E 240 TRP E 241 HIS E 276 CIT E2002 SITE 3 AC3 13 HOH E5031 HOH E5085 HOH E5120 HOH E5312 SITE 4 AC3 13 HOH E5366 SITE 1 AC4 13 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 13 HOH E5085 HOH E5217 HOH E5225 HOH E5284 SITE 3 AC4 13 HOH E5297 HOH E5312 HOH E5366 HOH E5367 SITE 4 AC4 13 HOH E5376 SITE 1 AC5 11 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 11 HOH E5038 HOH E5064 HOH E5089 HOH E5123 SITE 3 AC5 11 HOH E5184 HOH E5211 HOH E5270 SITE 1 AC6 5 HIS E 17 THR E 22 ASN E 76 HOH E5076 SITE 2 AC6 5 HOH E5308 SITE 1 AC7 7 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC7 7 VAL E 147 HOH E5162 HOH E5291 SITE 1 AC8 6 SER E 37 VAL E 44 ALA E 45 GLY E 47 SITE 2 AC8 6 PHE E 58 HOH E5313 CRYST1 94.020 94.020 186.716 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 0.010636 0.006141 0.000000 0.00000 SCALE2 0.000000 0.012281 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005356 0.00000 ATOM 1 N ALA E 1 49.075 51.315 36.888 1.00 14.61 N ATOM 2 CA ALA E 1 50.495 51.279 36.397 1.00 13.90 C ATOM 3 C ALA E 1 50.495 51.050 34.885 1.00 14.38 C ATOM 4 O ALA E 1 49.630 50.312 34.321 1.00 13.43 O ATOM 5 CB ALA E 1 51.250 50.096 37.090 1.00 14.22 C ATOM 6 N GLN E 2 51.464 51.668 34.233 1.00 12.02 N ATOM 7 CA GLN E 2 51.695 51.463 32.806 1.00 11.56 C ATOM 8 C GLN E 2 52.550 50.190 32.564 1.00 11.14 C ATOM 9 O GLN E 2 53.400 49.801 33.408 1.00 11.48 O ATOM 10 CB GLN E 2 52.412 52.715 32.285 1.00 10.06 C ATOM 11 CG GLN E 2 52.966 52.649 30.844 1.00 12.15 C ATOM 12 CD GLN E 2 53.491 54.016 30.464 1.00 13.10 C ATOM 13 OE1 GLN E 2 52.740 54.841 29.919 1.00 9.05 O ATOM 14 NE2 GLN E 2 54.767 54.286 30.812 1.00 8.92 N ATOM 15 N SER E 3 52.324 49.539 31.411 1.00 10.25 N ATOM 16 CA SER E 3 53.109 48.384 30.973 1.00 10.66 C ATOM 17 C SER E 3 53.837 48.744 29.685 1.00 10.94 C ATOM 18 O SER E 3 53.324 49.505 28.847 1.00 11.62 O ATOM 19 CB SER E 3 52.198 47.145 30.677 1.00 11.64 C ATOM 20 OG ASER E 3 51.021 47.489 30.014 0.33 8.81 O ATOM 21 OG BSER E 3 52.861 46.142 29.949 0.33 10.70 O ATOM 22 OG CSER E 3 51.309 46.903 31.729 0.33 9.87 O ATOM 23 N VAL E 4 55.032 48.226 29.523 1.00 9.97 N ATOM 24 CA VAL E 4 55.765 48.480 28.289 1.00 9.73 C ATOM 25 C VAL E 4 55.672 47.188 27.446 1.00 10.18 C ATOM 26 O VAL E 4 56.271 46.137 27.820 1.00 10.82 O ATOM 27 CB VAL E 4 57.267 48.788 28.581 1.00 10.65 C ATOM 28 CG1 VAL E 4 58.066 49.033 27.243 1.00 10.77 C ATOM 29 CG2 VAL E 4 57.387 50.048 29.519 1.00 9.61 C ATOM 30 N PRO E 5 54.928 47.197 26.346 1.00 8.89 N ATOM 31 CA PRO E 5 54.805 45.953 25.554 1.00 10.16 C ATOM 32 C PRO E 5 56.187 45.470 25.112 1.00 9.88 C ATOM 33 O PRO E 5 57.134 46.273 24.878 1.00 10.46 O ATOM 34 CB PRO E 5 53.962 46.378 24.335 1.00 10.40 C ATOM 35 CG PRO E 5 53.185 47.642 24.835 1.00 13.27 C ATOM 36 CD PRO E 5 54.226 48.332 25.724 1.00 10.12 C ATOM 37 N TYR E 6 56.336 44.153 24.977 1.00 9.67 N ATOM 38 CA TYR E 6 57.686 43.589 24.728 1.00 10.69 C ATOM 39 C TYR E 6 58.336 44.172 23.462 1.00 9.21 C ATOM 40 O TYR E 6 59.562 44.351 23.414 1.00 9.63 O ATOM 41 CB TYR E 6 57.650 42.045 24.628 1.00 11.27 C ATOM 42 CG TYR E 6 57.224 41.517 23.224 1.00 13.60 C ATOM 43 CD1 TYR E 6 58.182 41.323 22.191 1.00 14.24 C ATOM 44 CD2 TYR E 6 55.901 41.196 22.946 1.00 13.31 C ATOM 45 CE1 TYR E 6 57.812 40.859 20.912 1.00 13.47 C ATOM 46 CE2 TYR E 6 55.519 40.722 21.674 1.00 13.07 C ATOM 47 CZ TYR E 6 56.499 40.539 20.680 1.00 15.44 C ATOM 48 OH TYR E 6 56.171 40.071 19.426 1.00 19.23 O ATOM 49 N GLY E 7 57.524 44.498 22.456 1.00 9.39 N ATOM 50 CA GLY E 7 58.071 44.929 21.171 1.00 8.44 C ATOM 51 C GLY E 7 58.751 46.302 21.278 1.00 10.03 C ATOM 52 O GLY E 7 59.752 46.577 20.623 1.00 8.75 O ATOM 53 N VAL E 8 58.212 47.160 22.126 1.00 9.39 N ATOM 54 CA VAL E 8 58.855 48.484 22.346 1.00 9.68 C ATOM 55 C VAL E 8 60.265 48.295 22.953 1.00 9.77 C ATOM 56 O VAL E 8 61.240 48.956 22.535 1.00 9.21 O ATOM 57 CB VAL E 8 57.953 49.346 23.320 1.00 8.74 C ATOM 58 CG1 VAL E 8 58.650 50.678 23.752 1.00 10.01 C ATOM 59 CG2 VAL E 8 56.591 49.639 22.645 1.00 8.57 C ATOM 60 N SER E 9 60.377 47.384 23.919 1.00 8.57 N ATOM 61 CA SER E 9 61.694 47.051 24.462 1.00 10.36 C ATOM 62 C SER E 9 62.596 46.369 23.468 1.00 10.21 C ATOM 63 O SER E 9 63.812 46.608 23.455 1.00 10.36 O ATOM 64 CB SER E 9 61.552 46.156 25.718 1.00 10.78 C ATOM 65 OG SER E 9 60.713 46.802 26.675 1.00 12.79 O ATOM 66 N GLN E 10 62.009 45.491 22.660 1.00 9.53 N ATOM 67 CA GLN E 10 62.807 44.688 21.728 1.00 10.65 C ATOM 68 C GLN E 10 63.527 45.527 20.669 1.00 11.93 C ATOM 69 O GLN E 10 64.681 45.180 20.282 1.00 11.31 O ATOM 70 CB GLN E 10 61.912 43.653 21.052 1.00 10.52 C ATOM 71 CG GLN E 10 62.664 42.695 20.111 1.00 11.48 C ATOM 72 CD GLN E 10 61.784 41.476 19.746 1.00 17.58 C ATOM 73 OE1 GLN E 10 60.889 41.142 20.496 1.00 21.16 O ATOM 74 NE2 GLN E 10 62.027 40.850 18.581 1.00 15.21 N ATOM 75 N ILE E 11 62.881 46.616 20.222 1.00 10.04 N ATOM 76 CA ILE E 11 63.555 47.524 19.261 1.00 10.25 C ATOM 77 C ILE E 11 64.480 48.557 19.953 1.00 10.88 C ATOM 78 O ILE E 11 65.058 49.422 19.259 1.00 10.37 O ATOM 79 CB ILE E 11 62.513 48.259 18.339 1.00 10.21 C ATOM 80 CG1 ILE E 11 61.649 49.267 19.146 1.00 9.61 C ATOM 81 CG2 ILE E 11 61.656 47.216 17.555 1.00 8.97 C ATOM 82 CD1 ILE E 11 60.879 50.314 18.252 1.00 8.81 C ATOM 83 N LYS E 12 64.600 48.457 21.278 1.00 10.22 N ATOM 84 CA LYS E 12 65.474 49.348 22.110 1.00 10.80 C ATOM 85 C LYS E 12 64.991 50.798 22.178 1.00 10.96 C ATOM 86 O LYS E 12 65.784 51.743 22.407 1.00 10.91 O ATOM 87 CB LYS E 12 66.952 49.222 21.700 1.00 12.65 C ATOM 88 CG LYS E 12 67.375 47.727 21.739 1.00 14.71 C ATOM 89 CD LYS E 12 68.869 47.595 21.590 1.00 22.38 C ATOM 90 CE LYS E 12 69.300 46.138 21.375 1.00 25.04 C ATOM 91 NZ LYS E 12 68.945 45.228 22.519 1.00 31.39 N ATOM 92 N ALA E 13 63.682 50.985 22.046 1.00 9.70 N ATOM 93 CA ALA E 13 63.118 52.322 22.296 1.00 9.48 C ATOM 94 C ALA E 13 63.413 52.886 23.699 1.00 9.41 C ATOM 95 O ALA E 13 63.637 54.095 23.822 1.00 8.64 O ATOM 96 CB ALA E 13 61.592 52.386 22.019 1.00 9.30 C ATOM 97 N PRO E 14 63.405 52.072 24.765 1.00 9.88 N ATOM 98 CA PRO E 14 63.691 52.633 26.103 1.00 9.78 C ATOM 99 C PRO E 14 65.065 53.316 26.199 1.00 9.96 C ATOM 100 O PRO E 14 65.199 54.271 26.974 1.00 10.93 O ATOM 101 CB PRO E 14 63.609 51.387 27.021 1.00 10.26 C ATOM 102 CG PRO E 14 62.442 50.546 26.294 1.00 10.48 C ATOM 103 CD PRO E 14 63.012 50.632 24.848 1.00 9.32 C ATOM 104 N ALA E 15 66.047 52.904 25.396 1.00 9.92 N ATOM 105 CA ALA E 15 67.353 53.608 25.361 1.00 10.32 C ATOM 106 C ALA E 15 67.222 55.053 24.868 1.00 11.54 C ATOM 107 O ALA E 15 67.871 55.951 25.407 1.00 12.18 O ATOM 108 CB ALA E 15 68.370 52.849 24.521 1.00 10.02 C ATOM 109 N LEU E 16 66.346 55.304 23.911 1.00 9.22 N ATOM 110 CA LEU E 16 66.088 56.701 23.498 1.00 10.19 C ATOM 111 C LEU E 16 65.315 57.440 24.590 1.00 10.30 C ATOM 112 O LEU E 16 65.613 58.595 24.887 1.00 10.63 O ATOM 113 CB LEU E 16 65.221 56.770 22.212 1.00 9.70 C ATOM 114 CG LEU E 16 66.010 56.701 20.895 1.00 11.00 C ATOM 115 CD1 LEU E 16 66.620 58.115 20.639 1.00 12.21 C ATOM 116 CD2 LEU E 16 67.133 55.609 20.909 1.00 11.33 C ATOM 117 N HIS E 17 64.307 56.782 25.177 1.00 8.88 N ATOM 118 CA HIS E 17 63.531 57.445 26.231 1.00 9.15 C ATOM 119 C HIS E 17 64.462 57.879 27.362 1.00 9.77 C ATOM 120 O HIS E 17 64.287 58.973 27.887 1.00 11.29 O ATOM 121 CB HIS E 17 62.462 56.493 26.803 1.00 8.37 C ATOM 122 CG HIS E 17 61.468 56.033 25.755 1.00 9.83 C ATOM 123 ND1 HIS E 17 60.594 54.994 25.978 1.00 11.15 N ATOM 124 CD2 HIS E 17 61.209 56.487 24.501 1.00 7.76 C ATOM 125 CE1 HIS E 17 59.858 54.798 24.888 1.00 12.52 C ATOM 126 NE2 HIS E 17 60.206 55.693 23.976 1.00 8.89 N ATOM 127 N SER E 18 65.407 57.020 27.755 1.00 9.23 N ATOM 128 CA SER E 18 66.313 57.370 28.866 1.00 10.15 C ATOM 129 C SER E 18 67.238 58.531 28.522 1.00 10.00 C ATOM 130 O SER E 18 67.675 59.234 29.431 1.00 9.93 O ATOM 131 CB SER E 18 67.146 56.186 29.375 1.00 10.53 C ATOM 132 OG ASER E 18 66.392 55.072 29.729 0.50 12.11 O ATOM 133 OG BSER E 18 68.079 55.703 28.441 0.50 8.01 O ATOM 134 N GLN E 19 67.568 58.695 27.224 1.00 9.92 N ATOM 135 CA GLN E 19 68.371 59.843 26.750 1.00 9.69 C ATOM 136 C GLN E 19 67.539 61.126 26.726 1.00 10.64 C ATOM 137 O GLN E 19 68.104 62.227 26.590 1.00 10.18 O ATOM 138 CB GLN E 19 68.873 59.571 25.316 1.00 9.94 C ATOM 139 CG GLN E 19 69.919 58.421 25.195 1.00 10.77 C ATOM 140 CD GLN E 19 70.230 58.144 23.697 1.00 14.21 C ATOM 141 OE1 GLN E 19 70.422 59.066 22.956 1.00 20.55 O ATOM 142 NE2 GLN E 19 70.189 56.885 23.265 1.00 15.67 N ATOM 143 N GLY E 20 66.215 60.994 26.875 1.00 10.31 N ATOM 144 CA GLY E 20 65.304 62.133 26.949 1.00 10.63 C ATOM 145 C GLY E 20 64.527 62.381 25.664 1.00 11.57 C ATOM 146 O GLY E 20 63.943 63.460 25.477 1.00 11.93 O ATOM 147 N TYR E 21 64.534 61.396 24.745 1.00 10.13 N ATOM 148 CA TYR E 21 63.939 61.602 23.418 1.00 9.20 C ATOM 149 C TYR E 21 62.744 60.677 23.239 1.00 9.31 C ATOM 150 O TYR E 21 62.861 59.458 23.471 1.00 11.50 O ATOM 151 CB TYR E 21 64.992 61.346 22.296 1.00 10.24 C ATOM 152 CG TYR E 21 66.051 62.433 22.347 1.00 9.97 C ATOM 153 CD1 TYR E 21 65.705 63.753 22.030 1.00 13.02 C ATOM 154 CD2 TYR E 21 67.336 62.154 22.804 1.00 14.35 C ATOM 155 CE1 TYR E 21 66.651 64.783 22.101 1.00 14.75 C ATOM 156 CE2 TYR E 21 68.313 63.203 22.915 1.00 14.83 C ATOM 157 CZ TYR E 21 67.924 64.504 22.562 1.00 14.67 C ATOM 158 OH TYR E 21 68.818 65.530 22.606 1.00 16.66 O ATOM 159 N THR E 22 61.592 61.256 22.855 1.00 8.59 N ATOM 160 CA THR E 22 60.311 60.539 22.827 1.00 8.70 C ATOM 161 C THR E 22 59.462 60.936 21.612 1.00 8.51 C ATOM 162 O THR E 22 58.268 60.649 21.605 1.00 8.54 O ATOM 163 CB THR E 22 59.450 60.869 24.083 1.00 9.11 C ATOM 164 OG1 THR E 22 59.395 62.309 24.223 1.00 11.66 O ATOM 165 CG2 THR E 22 60.111 60.351 25.376 1.00 10.44 C ATOM 166 N GLY E 23 60.056 61.573 20.602 1.00 8.81 N ATOM 167 CA GLY E 23 59.323 61.964 19.395 1.00 9.44 C ATOM 168 C GLY E 23 58.644 63.327 19.508 1.00 10.65 C ATOM 169 O GLY E 23 57.780 63.646 18.689 1.00 11.06 O ATOM 170 N SER E 24 59.034 64.132 20.503 1.00 11.11 N ATOM 171 CA SER E 24 58.438 65.465 20.659 1.00 12.04 C ATOM 172 C SER E 24 58.533 66.302 19.376 1.00 12.86 C ATOM 173 O SER E 24 59.591 66.374 18.739 1.00 12.69 O ATOM 174 CB SER E 24 59.142 66.241 21.759 1.00 12.11 C ATOM 175 OG ASER E 24 58.899 65.699 23.035 0.67 11.77 O ATOM 176 OG BSER E 24 58.322 67.331 22.137 0.33 11.93 O ATOM 177 N ASN E 25 57.417 66.919 19.009 1.00 14.22 N ATOM 178 CA ASN E 25 57.341 67.852 17.883 1.00 16.03 C ATOM 179 C ASN E 25 57.420 67.144 16.537 1.00 15.53 C ATOM 180 O ASN E 25 57.452 67.804 15.493 1.00 17.97 O ATOM 181 CB ASN E 25 58.378 68.990 17.972 1.00 17.81 C ATOM 182 CG ASN E 25 58.192 69.854 19.215 1.00 23.82 C ATOM 183 OD1 ASN E 25 57.102 70.337 19.487 1.00 29.60 O ATOM 184 ND2 ASN E 25 59.268 70.012 20.002 1.00 29.91 N ATOM 185 N VAL E 26 57.431 65.811 16.540 1.00 12.19 N ATOM 186 CA VAL E 26 57.460 65.101 15.258 1.00 11.02 C ATOM 187 C VAL E 26 56.041 64.742 14.857 1.00 11.30 C ATOM 188 O VAL E 26 55.283 64.167 15.647 1.00 10.86 O ATOM 189 CB VAL E 26 58.347 63.832 15.305 1.00 10.03 C ATOM 190 CG1 VAL E 26 58.353 63.140 13.909 1.00 10.73 C ATOM 191 CG2 VAL E 26 59.808 64.229 15.802 1.00 11.23 C ATOM 192 N LYS E 27 55.681 65.067 13.624 1.00 11.27 N ATOM 193 CA LYS E 27 54.291 64.876 13.158 1.00 11.83 C ATOM 194 C LYS E 27 54.190 63.555 12.408 1.00 11.75 C ATOM 195 O LYS E 27 54.871 63.369 11.393 1.00 11.76 O ATOM 196 CB LYS E 27 53.896 66.036 12.206 1.00 11.29 C ATOM 197 CG LYS E 27 53.862 67.394 12.936 1.00 12.90 C ATOM 198 CD LYS E 27 53.192 68.453 12.001 1.00 20.39 C ATOM 199 CE LYS E 27 53.145 69.842 12.633 1.00 26.84 C ATOM 200 NZ LYS E 27 54.547 70.380 12.683 1.00 31.23 N ATOM 201 N VAL E 28 53.359 62.646 12.937 1.00 10.61 N ATOM 202 CA VAL E 28 53.166 61.299 12.354 1.00 10.32 C ATOM 203 C VAL E 28 51.707 61.077 11.934 1.00 11.22 C ATOM 204 O VAL E 28 50.771 61.166 12.760 1.00 11.88 O ATOM 205 CB VAL E 28 53.579 60.183 13.359 1.00 9.96 C ATOM 206 CG1 VAL E 28 53.430 58.801 12.674 1.00 10.49 C ATOM 207 CG2 VAL E 28 55.007 60.449 13.885 1.00 10.21 C ATOM 208 N ALA E 29 51.527 60.794 10.645 1.00 10.97 N ATOM 209 CA ALA E 29 50.204 60.503 10.095 1.00 12.15 C ATOM 210 C ALA E 29 50.005 59.001 10.103 1.00 10.91 C ATOM 211 O ALA E 29 50.760 58.279 9.479 1.00 11.49 O ATOM 212 CB ALA E 29 50.057 61.053 8.627 1.00 11.89 C ATOM 213 N VAL E 30 48.982 58.550 10.814 1.00 11.72 N ATOM 214 CA VAL E 30 48.556 57.158 10.769 1.00 10.49 C ATOM 215 C VAL E 30 47.444 57.089 9.713 1.00 11.73 C ATOM 216 O VAL E 30 46.317 57.548 9.945 1.00 12.62 O ATOM 217 CB VAL E 30 48.084 56.694 12.169 1.00 10.70 C ATOM 218 CG1 VAL E 30 47.530 55.272 12.092 1.00 9.75 C ATOM 219 CG2 VAL E 30 49.298 56.732 13.171 1.00 9.72 C ATOM 220 N ILE E 31 47.786 56.581 8.532 1.00 12.46 N ATOM 221 CA ILE E 31 46.851 56.577 7.397 1.00 11.59 C ATOM 222 C ILE E 31 46.217 55.208 7.473 1.00 11.60 C ATOM 223 O ILE E 31 46.897 54.188 7.248 1.00 11.27 O ATOM 224 CB ILE E 31 47.620 56.798 6.063 1.00 13.00 C ATOM 225 CG1 ILE E 31 48.351 58.166 6.072 1.00 13.86 C ATOM 226 CG2 ILE E 31 46.664 56.624 4.824 1.00 12.64 C ATOM 227 CD1 ILE E 31 48.934 58.661 4.679 1.00 13.92 C ATOM 228 N ASP E 32 44.942 55.191 7.880 1.00 11.73 N ATOM 229 CA ASP E 32 44.347 53.992 8.430 1.00 12.79 C ATOM 230 C ASP E 32 42.813 54.196 8.623 1.00 13.27 C ATOM 231 O ASP E 32 42.189 54.958 7.881 1.00 12.77 O ATOM 232 CB ASP E 32 45.042 53.649 9.774 1.00 12.90 C ATOM 233 CG ASP E 32 45.156 52.159 10.009 1.00 14.80 C ATOM 234 OD1 ASP E 32 44.083 51.539 10.189 1.00 12.59 O ATOM 235 OD2 ASP E 32 46.270 51.552 10.066 1.00 13.73 O ATOM 236 N SER E 33 42.221 53.491 9.593 1.00 12.99 N ATOM 237 CA SER E 33 40.784 53.504 9.772 1.00 13.30 C ATOM 238 C SER E 33 40.314 54.589 10.716 1.00 13.82 C ATOM 239 O SER E 33 39.188 54.502 11.220 1.00 14.68 O ATOM 240 CB SER E 33 40.315 52.121 10.320 1.00 14.86 C ATOM 241 OG SER E 33 40.783 51.863 11.678 1.00 14.12 O ATOM 242 N GLY E 34 41.177 55.563 11.022 1.00 13.16 N ATOM 243 CA GLY E 34 40.838 56.578 12.031 1.00 13.90 C ATOM 244 C GLY E 34 41.606 56.301 13.326 1.00 14.14 C ATOM 245 O GLY E 34 42.328 55.301 13.421 1.00 14.23 O ATOM 246 N ILE E 35 41.442 57.169 14.316 1.00 13.52 N ATOM 247 CA ILE E 35 41.990 56.911 15.660 1.00 14.03 C ATOM 248 C ILE E 35 40.973 57.358 16.714 1.00 13.45 C ATOM 249 O ILE E 35 40.490 58.497 16.657 1.00 12.95 O ATOM 250 CB ILE E 35 43.325 57.713 15.894 1.00 14.19 C ATOM 251 CG1 ILE E 35 44.382 57.421 14.788 1.00 13.33 C ATOM 252 CG2 ILE E 35 43.913 57.413 17.327 1.00 14.03 C ATOM 253 CD1 ILE E 35 45.669 58.289 14.898 1.00 13.57 C ATOM 254 N ASP E 36 40.645 56.492 17.670 1.00 13.81 N ATOM 255 CA ASP E 36 39.691 56.896 18.704 1.00 14.46 C ATOM 256 C ASP E 36 40.357 57.933 19.653 1.00 15.63 C ATOM 257 O ASP E 36 41.096 57.550 20.565 1.00 15.33 O ATOM 258 CB ASP E 36 39.219 55.663 19.492 1.00 15.59 C ATOM 259 CG ASP E 36 38.242 56.031 20.620 1.00 16.48 C ATOM 260 OD1 ASP E 36 37.896 57.241 20.800 1.00 19.47 O ATOM 261 OD2 ASP E 36 37.829 55.171 21.390 1.00 21.48 O ATOM 262 N SER E 37 40.049 59.220 19.460 1.00 16.36 N ATOM 263 CA SER E 37 40.700 60.325 20.209 1.00 17.62 C ATOM 264 C SER E 37 40.225 60.384 21.654 1.00 17.58 C ATOM 265 O SER E 37 40.899 60.995 22.487 1.00 19.92 O ATOM 266 CB SER E 37 40.447 61.703 19.549 1.00 18.40 C ATOM 267 OG SER E 37 39.034 61.895 19.404 1.00 21.63 O ATOM 268 N SER E 38 39.136 59.694 21.979 1.00 16.22 N ATOM 269 CA SER E 38 38.661 59.670 23.381 1.00 16.37 C ATOM 270 C SER E 38 39.480 58.714 24.274 1.00 15.82 C ATOM 271 O SER E 38 39.283 58.663 25.496 1.00 15.81 O ATOM 272 CB SER E 38 37.193 59.257 23.429 1.00 16.00 C ATOM 273 OG ASER E 38 37.086 57.894 23.139 0.50 16.73 O ATOM 274 OG BSER E 38 36.376 60.335 23.039 0.50 17.97 O ATOM 275 N HIS E 39 40.358 57.896 23.669 1.00 12.92 N ATOM 276 CA HIS E 39 41.093 56.933 24.484 1.00 12.48 C ATOM 277 C HIS E 39 42.043 57.706 25.438 1.00 12.33 C ATOM 278 O HIS E 39 42.791 58.566 24.978 1.00 11.81 O ATOM 279 CB HIS E 39 41.928 56.001 23.565 1.00 11.92 C ATOM 280 CG HIS E 39 42.378 54.761 24.264 1.00 12.74 C ATOM 281 ND1 HIS E 39 43.241 54.794 25.343 1.00 10.21 N ATOM 282 CD2 HIS E 39 42.054 53.458 24.067 1.00 10.63 C ATOM 283 CE1 HIS E 39 43.429 53.553 25.782 1.00 13.08 C ATOM 284 NE2 HIS E 39 42.724 52.727 25.024 1.00 10.79 N ATOM 285 N PRO E 40 42.031 57.403 26.737 1.00 12.06 N ATOM 286 CA PRO E 40 42.871 58.154 27.692 1.00 12.17 C ATOM 287 C PRO E 40 44.362 57.899 27.540 1.00 12.74 C ATOM 288 O PRO E 40 45.139 58.670 28.083 1.00 11.43 O ATOM 289 CB PRO E 40 42.401 57.668 29.077 1.00 12.70 C ATOM 290 CG PRO E 40 41.879 56.319 28.803 1.00 12.89 C ATOM 291 CD PRO E 40 41.134 56.454 27.441 1.00 12.25 C ATOM 292 N ASP E 41 44.749 56.880 26.787 1.00 10.75 N ATOM 293 CA ASP E 41 46.185 56.643 26.560 1.00 11.63 C ATOM 294 C ASP E 41 46.657 57.120 25.187 1.00 11.04 C ATOM 295 O ASP E 41 47.758 56.737 24.750 1.00 10.78 O ATOM 296 CB ASP E 41 46.488 55.143 26.731 1.00 11.19 C ATOM 297 CG ASP E 41 47.933 54.868 27.218 1.00 12.90 C ATOM 298 OD1 ASP E 41 48.511 55.731 27.893 1.00 10.74 O ATOM 299 OD2 ASP E 41 48.512 53.788 26.993 1.00 14.78 O ATOM 300 N LEU E 42 45.845 57.943 24.514 1.00 10.15 N ATOM 301 CA LEU E 42 46.260 58.543 23.261 1.00 11.49 C ATOM 302 C LEU E 42 46.005 60.033 23.269 1.00 12.52 C ATOM 303 O LEU E 42 45.049 60.514 23.907 1.00 12.46 O ATOM 304 CB LEU E 42 45.474 57.918 22.065 1.00 10.61 C ATOM 305 CG LEU E 42 45.700 56.432 21.799 1.00 8.66 C ATOM 306 CD1 LEU E 42 44.812 55.947 20.656 1.00 9.44 C ATOM 307 CD2 LEU E 42 47.180 56.111 21.483 1.00 10.78 C ATOM 308 N LYS E 43 46.852 60.773 22.571 1.00 12.20 N ATOM 309 CA LYS E 43 46.540 62.180 22.320 1.00 13.65 C ATOM 310 C LYS E 43 46.583 62.415 20.835 1.00 13.58 C ATOM 311 O LYS E 43 47.643 62.271 20.204 1.00 14.76 O ATOM 312 CB LYS E 43 47.560 63.088 23.051 1.00 13.24 C ATOM 313 CG LYS E 43 47.273 64.633 22.790 1.00 18.84 C ATOM 314 CD LYS E 43 48.355 65.458 23.531 1.00 23.77 C ATOM 315 CE LYS E 43 48.022 66.918 23.764 1.00 31.23 C ATOM 316 NZ LYS E 43 49.230 67.597 24.423 1.00 35.18 N ATOM 317 N VAL E 44 45.458 62.746 20.227 1.00 13.51 N ATOM 318 CA VAL E 44 45.456 62.959 18.790 1.00 13.68 C ATOM 319 C VAL E 44 45.508 64.471 18.484 1.00 15.35 C ATOM 320 O VAL E 44 44.673 65.226 18.995 1.00 14.95 O ATOM 321 CB VAL E 44 44.190 62.325 18.151 1.00 14.12 C ATOM 322 CG1 VAL E 44 44.133 62.630 16.628 1.00 13.66 C ATOM 323 CG2 VAL E 44 44.129 60.813 18.430 1.00 14.05 C ATOM 324 N ALA E 45 46.467 64.896 17.646 1.00 13.96 N ATOM 325 CA ALA E 45 46.763 66.317 17.452 1.00 14.44 C ATOM 326 C ALA E 45 45.918 66.910 16.322 1.00 16.41 C ATOM 327 O ALA E 45 45.791 68.131 16.231 1.00 16.96 O ATOM 328 CB ALA E 45 48.251 66.511 17.082 1.00 14.53 C ATOM 329 N GLY E 46 45.427 66.063 15.422 1.00 15.26 N ATOM 330 CA GLY E 46 44.675 66.545 14.261 1.00 15.38 C ATOM 331 C GLY E 46 44.388 65.397 13.292 1.00 15.12 C ATOM 332 O GLY E 46 44.574 64.225 13.612 1.00 15.15 O ATOM 333 N GLY E 47 43.932 65.739 12.101 1.00 14.46 N ATOM 334 CA GLY E 47 43.630 64.735 11.103 1.00 14.84 C ATOM 335 C GLY E 47 42.518 65.150 10.150 1.00 15.81 C ATOM 336 O GLY E 47 42.061 66.310 10.176 1.00 16.54 O ATOM 337 N ALA E 48 42.101 64.203 9.329 1.00 15.69 N ATOM 338 CA ALA E 48 41.095 64.438 8.280 1.00 15.73 C ATOM 339 C ALA E 48 40.595 63.101 7.781 1.00 16.10 C ATOM 340 O ALA E 48 41.333 62.106 7.835 1.00 14.60 O ATOM 341 CB ALA E 48 41.722 65.240 7.123 1.00 16.59 C ATOM 342 N SER E 49 39.356 63.044 7.273 1.00 15.95 N ATOM 343 CA SER E 49 38.867 61.797 6.693 1.00 16.95 C ATOM 344 C SER E 49 38.737 61.929 5.179 1.00 18.36 C ATOM 345 O SER E 49 38.217 62.929 4.695 1.00 18.13 O ATOM 346 CB SER E 49 37.473 61.406 7.231 1.00 16.74 C ATOM 347 OG SER E 49 37.025 60.254 6.508 1.00 17.50 O ATOM 348 N MET E 50 39.219 60.929 4.461 1.00 17.48 N ATOM 349 CA MET E 50 39.075 60.833 3.007 1.00 19.11 C ATOM 350 C MET E 50 37.957 59.853 2.583 1.00 20.26 C ATOM 351 O MET E 50 37.819 59.573 1.374 1.00 21.38 O ATOM 352 CB MET E 50 40.380 60.317 2.390 1.00 18.31 C ATOM 353 CG MET E 50 41.621 61.068 2.816 1.00 18.23 C ATOM 354 SD MET E 50 41.554 62.810 2.414 1.00 20.96 S ATOM 355 CE MET E 50 42.023 63.555 3.944 1.00 22.15 C ATOM 356 N VAL E 51 37.225 59.297 3.553 1.00 20.18 N ATOM 357 CA VAL E 51 36.138 58.347 3.298 1.00 21.17 C ATOM 358 C VAL E 51 34.824 59.145 3.142 1.00 23.50 C ATOM 359 O VAL E 51 34.375 59.772 4.084 1.00 23.43 O ATOM 360 CB VAL E 51 36.023 57.289 4.440 1.00 22.11 C ATOM 361 CG1 VAL E 51 34.855 56.266 4.163 1.00 20.42 C ATOM 362 CG2 VAL E 51 37.369 56.538 4.587 1.00 20.00 C ATOM 363 N PRO E 52 34.243 59.159 1.935 1.00 25.18 N ATOM 364 CA PRO E 52 33.094 60.049 1.636 1.00 27.07 C ATOM 365 C PRO E 52 31.941 59.932 2.629 1.00 27.92 C ATOM 366 O PRO E 52 31.416 60.939 3.073 1.00 29.94 O ATOM 367 CB PRO E 52 32.664 59.626 0.217 1.00 27.38 C ATOM 368 CG PRO E 52 33.961 59.057 -0.395 1.00 27.27 C ATOM 369 CD PRO E 52 34.691 58.382 0.767 1.00 25.33 C ATOM 370 N SER E 53 31.576 58.740 3.057 1.00 28.94 N ATOM 371 CA SER E 53 30.413 58.682 3.929 1.00 30.61 C ATOM 372 C SER E 53 30.746 58.592 5.425 1.00 30.34 C ATOM 373 O SER E 53 29.849 58.382 6.257 1.00 30.13 O ATOM 374 CB SER E 53 29.547 57.500 3.507 1.00 31.58 C ATOM 375 OG SER E 53 30.335 56.316 3.575 1.00 36.80 O ATOM 376 N GLU E 54 32.030 58.718 5.777 1.00 28.61 N ATOM 377 CA GLU E 54 32.451 58.559 7.177 1.00 28.16 C ATOM 378 C GLU E 54 33.424 59.694 7.462 1.00 27.32 C ATOM 379 O GLU E 54 34.636 59.528 7.349 1.00 28.10 O ATOM 380 CB GLU E 54 33.037 57.141 7.441 1.00 27.74 C ATOM 381 CG GLU E 54 32.121 55.996 6.938 1.00 29.43 C ATOM 382 CD GLU E 54 32.718 54.580 6.997 1.00 34.02 C ATOM 383 OE1 GLU E 54 33.399 54.269 8.001 1.00 33.27 O ATOM 384 OE2 GLU E 54 32.476 53.755 6.044 1.00 31.97 O ATOM 385 N THR E 55 32.872 60.862 7.773 1.00 25.53 N ATOM 386 CA THR E 55 33.626 62.106 7.767 1.00 25.10 C ATOM 387 C THR E 55 34.390 62.411 9.042 1.00 23.57 C ATOM 388 O THR E 55 35.108 63.407 9.072 1.00 23.27 O ATOM 389 CB THR E 55 32.709 63.325 7.497 1.00 25.73 C ATOM 390 OG1 THR E 55 31.750 63.430 8.562 1.00 26.80 O ATOM 391 CG2 THR E 55 31.890 63.142 6.223 1.00 28.18 C ATOM 392 N ASN E 56 34.233 61.595 10.085 1.00 22.57 N ATOM 393 CA ASN E 56 34.932 61.859 11.342 1.00 21.77 C ATOM 394 C ASN E 56 36.173 60.960 11.479 1.00 20.12 C ATOM 395 O ASN E 56 36.037 59.757 11.705 1.00 19.97 O ATOM 396 CB ASN E 56 33.985 61.625 12.524 1.00 23.05 C ATOM 397 CG ASN E 56 34.589 62.041 13.852 1.00 24.27 C ATOM 398 OD1 ASN E 56 35.765 62.466 13.952 1.00 21.87 O ATOM 399 ND2 ASN E 56 33.784 61.936 14.896 1.00 26.61 N ATOM 400 N PRO E 57 37.374 61.521 11.350 1.00 19.27 N ATOM 401 CA PRO E 57 38.595 60.696 11.466 1.00 18.62 C ATOM 402 C PRO E 57 38.917 60.274 12.916 1.00 17.85 C ATOM 403 O PRO E 57 39.836 59.470 13.115 1.00 16.29 O ATOM 404 CB PRO E 57 39.688 61.620 10.939 1.00 17.78 C ATOM 405 CG PRO E 57 39.191 63.007 11.270 1.00 19.69 C ATOM 406 CD PRO E 57 37.691 62.946 11.108 1.00 18.82 C ATOM 407 N PHE E 58 38.206 60.847 13.896 1.00 17.59 N ATOM 408 CA PHE E 58 38.465 60.607 15.325 1.00 18.59 C ATOM 409 C PHE E 58 37.519 59.546 15.890 1.00 19.45 C ATOM 410 O PHE E 58 37.467 59.294 17.092 1.00 19.46 O ATOM 411 CB PHE E 58 38.376 61.938 16.071 1.00 18.61 C ATOM 412 CG PHE E 58 39.194 63.030 15.422 1.00 20.27 C ATOM 413 CD1 PHE E 58 40.570 62.844 15.187 1.00 17.68 C ATOM 414 CD2 PHE E 58 38.594 64.220 14.992 1.00 19.10 C ATOM 415 CE1 PHE E 58 41.347 63.845 14.582 1.00 17.59 C ATOM 416 CE2 PHE E 58 39.348 65.225 14.355 1.00 20.13 C ATOM 417 CZ PHE E 58 40.749 65.035 14.152 1.00 22.61 C ATOM 418 N GLN E 59 36.775 58.918 14.987 1.00 20.90 N ATOM 419 CA GLN E 59 35.915 57.811 15.308 1.00 22.80 C ATOM 420 C GLN E 59 36.449 56.622 14.525 1.00 22.92 C ATOM 421 O GLN E 59 36.512 56.664 13.279 1.00 23.78 O ATOM 422 CB GLN E 59 34.440 58.133 14.905 1.00 23.99 C ATOM 423 CG GLN E 59 33.449 57.008 15.234 1.00 28.15 C ATOM 424 CD AGLN E 59 32.001 57.444 15.075 0.33 28.56 C ATOM 425 CD BGLN E 59 33.208 56.850 16.739 0.67 31.73 C ATOM 426 OE1AGLN E 59 31.523 58.317 15.805 0.33 29.71 O ATOM 427 OE1BGLN E 59 33.316 57.822 17.492 0.67 35.94 O ATOM 428 NE2AGLN E 59 31.306 56.848 14.115 0.33 29.43 N ATOM 429 NE2BGLN E 59 32.900 55.625 17.177 0.67 32.87 N ATOM 430 N ASP E 60 36.848 55.567 15.235 1.00 20.52 N ATOM 431 CA ASP E 60 37.437 54.429 14.580 1.00 20.50 C ATOM 432 C ASP E 60 36.497 53.256 14.777 1.00 22.67 C ATOM 433 O ASP E 60 36.566 52.548 15.794 1.00 22.06 O ATOM 434 CB ASP E 60 38.848 54.145 15.172 1.00 19.31 C ATOM 435 CG ASP E 60 39.461 52.847 14.684 1.00 18.16 C ATOM 436 OD1 ASP E 60 38.984 52.261 13.667 1.00 16.74 O ATOM 437 OD2 ASP E 60 40.494 52.352 15.242 1.00 15.82 O ATOM 438 N ASN E 61 35.612 53.036 13.802 1.00 24.23 N ATOM 439 CA ASN E 61 34.637 51.949 13.940 1.00 26.24 C ATOM 440 C ASN E 61 35.189 50.621 13.516 1.00 26.15 C ATOM 441 O ASN E 61 34.491 49.605 13.564 1.00 28.05 O ATOM 442 CB ASN E 61 33.348 52.249 13.164 1.00 27.11 C ATOM 443 CG ASN E 61 32.651 53.450 13.696 1.00 31.27 C ATOM 444 OD1 ASN E 61 32.357 53.543 14.908 1.00 32.89 O ATOM 445 ND2 ASN E 61 32.459 54.433 12.828 1.00 36.38 N ATOM 446 N ASN E 62 36.437 50.610 13.083 1.00 23.82 N ATOM 447 CA ASN E 62 37.082 49.367 12.759 1.00 22.05 C ATOM 448 C ASN E 62 37.936 48.776 13.933 1.00 20.94 C ATOM 449 O ASN E 62 37.868 47.585 14.218 1.00 22.16 O ATOM 450 CB ASN E 62 37.951 49.619 11.548 1.00 22.48 C ATOM 451 CG ASN E 62 38.620 48.416 11.073 1.00 24.41 C ATOM 452 OD1 ASN E 62 39.570 47.966 11.685 1.00 25.66 O ATOM 453 ND2 ASN E 62 38.141 47.858 9.944 1.00 31.00 N ATOM 454 N SER E 63 38.718 49.639 14.573 1.00 18.48 N ATOM 455 CA SER E 63 39.617 49.323 15.726 1.00 17.10 C ATOM 456 C SER E 63 41.104 49.283 15.344 1.00 16.27 C ATOM 457 O SER E 63 42.007 49.560 16.190 1.00 17.18 O ATOM 458 CB SER E 63 39.229 48.037 16.486 1.00 16.34 C ATOM 459 OG ASER E 63 39.796 46.895 15.909 0.50 16.60 O ATOM 460 OG BSER E 63 37.967 48.181 17.135 0.50 19.11 O ATOM 461 N HIS E 64 41.351 49.044 14.070 1.00 12.99 N ATOM 462 CA HIS E 64 42.716 48.825 13.573 1.00 11.63 C ATOM 463 C HIS E 64 43.590 50.092 13.696 1.00 10.90 C ATOM 464 O HIS E 64 44.695 50.018 14.256 1.00 11.84 O ATOM 465 CB HIS E 64 42.635 48.328 12.129 1.00 11.41 C ATOM 466 CG HIS E 64 43.972 48.024 11.507 1.00 10.12 C ATOM 467 ND1 HIS E 64 44.664 48.962 10.774 1.00 11.99 N ATOM 468 CD2 HIS E 64 44.724 46.899 11.492 1.00 11.48 C ATOM 469 CE1 HIS E 64 45.791 48.424 10.325 1.00 11.31 C ATOM 470 NE2 HIS E 64 45.861 47.183 10.763 1.00 12.19 N ATOM 471 N GLY E 65 43.106 51.238 13.225 1.00 10.33 N ATOM 472 CA GLY E 65 43.921 52.456 13.279 1.00 10.63 C ATOM 473 C GLY E 65 44.301 52.852 14.715 1.00 10.96 C ATOM 474 O GLY E 65 45.368 53.436 14.981 1.00 10.90 O ATOM 475 N THR E 66 43.382 52.622 15.648 1.00 10.79 N ATOM 476 CA THR E 66 43.637 52.914 17.060 1.00 11.13 C ATOM 477 C THR E 66 44.773 52.040 17.645 1.00 11.76 C ATOM 478 O THR E 66 45.590 52.505 18.459 1.00 10.46 O ATOM 479 CB THR E 66 42.297 52.714 17.841 1.00 11.08 C ATOM 480 OG1 THR E 66 41.352 53.710 17.379 1.00 12.82 O ATOM 481 CG2 THR E 66 42.494 53.003 19.363 1.00 10.92 C ATOM 482 N HIS E 67 44.828 50.777 17.242 1.00 10.71 N ATOM 483 CA HIS E 67 45.841 49.840 17.741 1.00 10.24 C ATOM 484 C HIS E 67 47.200 50.291 17.146 1.00 10.80 C ATOM 485 O HIS E 67 48.234 50.379 17.875 1.00 10.89 O ATOM 486 CB HIS E 67 45.478 48.386 17.320 1.00 9.22 C ATOM 487 CG HIS E 67 46.294 47.335 18.013 1.00 9.13 C ATOM 488 ND1 HIS E 67 47.558 46.977 17.583 1.00 10.71 N ATOM 489 CD2 HIS E 67 46.026 46.553 19.087 1.00 10.08 C ATOM 490 CE1 HIS E 67 48.036 46.021 18.370 1.00 10.51 C ATOM 491 NE2 HIS E 67 47.131 45.748 19.293 1.00 11.69 N ATOM 492 N VAL E 68 47.207 50.522 15.840 1.00 9.20 N ATOM 493 CA VAL E 68 48.427 50.989 15.151 1.00 9.18 C ATOM 494 C VAL E 68 48.953 52.271 15.838 1.00 9.48 C ATOM 495 O VAL E 68 50.168 52.429 16.069 1.00 8.69 O ATOM 496 CB VAL E 68 48.156 51.197 13.615 1.00 9.91 C ATOM 497 CG1 VAL E 68 49.357 51.851 12.898 1.00 9.73 C ATOM 498 CG2 VAL E 68 47.884 49.778 12.932 1.00 9.48 C ATOM 499 N ALA E 69 48.045 53.218 16.091 1.00 9.82 N ATOM 500 CA ALA E 69 48.456 54.493 16.697 1.00 9.48 C ATOM 501 C ALA E 69 49.054 54.301 18.083 1.00 9.64 C ATOM 502 O ALA E 69 50.006 55.024 18.443 1.00 8.82 O ATOM 503 CB ALA E 69 47.241 55.424 16.773 1.00 9.73 C ATOM 504 N GLY E 70 48.488 53.385 18.905 1.00 7.59 N ATOM 505 CA GLY E 70 49.087 53.119 20.215 1.00 7.54 C ATOM 506 C GLY E 70 50.499 52.568 20.169 1.00 9.33 C ATOM 507 O GLY E 70 51.308 52.831 21.053 1.00 9.00 O ATOM 508 N THR E 71 50.832 51.799 19.132 1.00 8.46 N ATOM 509 CA THR E 71 52.195 51.330 19.019 1.00 8.78 C ATOM 510 C THR E 71 53.113 52.497 18.663 1.00 8.79 C ATOM 511 O THR E 71 54.221 52.637 19.220 1.00 8.38 O ATOM 512 CB THR E 71 52.273 50.232 17.944 1.00 9.43 C ATOM 513 OG1 THR E 71 51.516 49.097 18.420 1.00 10.84 O ATOM 514 CG2 THR E 71 53.743 49.746 17.769 1.00 6.45 C ATOM 515 N VAL E 72 52.650 53.359 17.774 1.00 8.44 N ATOM 516 CA VAL E 72 53.434 54.578 17.496 1.00 8.17 C ATOM 517 C VAL E 72 53.646 55.438 18.729 1.00 8.94 C ATOM 518 O VAL E 72 54.793 55.868 18.984 1.00 10.07 O ATOM 519 CB VAL E 72 52.803 55.455 16.402 1.00 8.41 C ATOM 520 CG1 VAL E 72 53.731 56.688 16.077 1.00 9.68 C ATOM 521 CG2 VAL E 72 52.560 54.636 15.114 1.00 8.40 C ATOM 522 N ALA E 73 52.562 55.732 19.451 1.00 8.79 N ATOM 523 CA ALA E 73 52.574 56.937 20.307 1.00 10.18 C ATOM 524 C ALA E 73 51.668 56.849 21.541 1.00 9.38 C ATOM 525 O ALA E 73 51.297 57.887 22.127 1.00 9.31 O ATOM 526 CB ALA E 73 52.209 58.165 19.430 1.00 10.18 C ATOM 527 N ALA E 74 51.352 55.637 22.037 1.00 9.36 N ATOM 528 CA ALA E 74 50.585 55.632 23.321 1.00 8.83 C ATOM 529 C ALA E 74 51.329 56.448 24.390 1.00 8.78 C ATOM 530 O ALA E 74 52.568 56.388 24.502 1.00 9.34 O ATOM 531 CB ALA E 74 50.298 54.196 23.847 1.00 7.85 C ATOM 532 N LEU E 75 50.566 57.169 25.197 1.00 9.60 N ATOM 533 CA LEU E 75 51.183 58.188 26.089 1.00 9.73 C ATOM 534 C LEU E 75 52.009 57.603 27.220 1.00 10.35 C ATOM 535 O LEU E 75 51.729 56.503 27.701 1.00 9.65 O ATOM 536 CB LEU E 75 50.087 59.055 26.709 1.00 8.93 C ATOM 537 CG LEU E 75 49.239 59.893 25.729 1.00 10.05 C ATOM 538 CD1 LEU E 75 48.007 60.493 26.476 1.00 9.88 C ATOM 539 CD2 LEU E 75 50.112 60.998 25.049 1.00 11.35 C ATOM 540 N ASN E 76 53.023 58.370 27.643 1.00 10.04 N ATOM 541 CA ASN E 76 53.843 57.998 28.791 1.00 10.35 C ATOM 542 C ASN E 76 53.218 58.552 30.067 1.00 10.36 C ATOM 543 O ASN E 76 53.233 59.767 30.302 1.00 10.10 O ATOM 544 CB ASN E 76 55.257 58.586 28.593 1.00 10.40 C ATOM 545 CG ASN E 76 56.216 58.204 29.741 1.00 10.44 C ATOM 546 OD1 ASN E 76 56.034 57.184 30.365 1.00 11.36 O ATOM 547 ND2 ASN E 76 57.258 59.035 30.001 1.00 9.72 N ATOM 548 N ASN E 77 52.647 57.666 30.886 1.00 9.82 N ATOM 549 CA ASN E 77 51.857 58.075 32.041 1.00 9.65 C ATOM 550 C ASN E 77 51.747 56.843 32.944 1.00 10.70 C ATOM 551 O ASN E 77 52.556 55.929 32.831 1.00 9.93 O ATOM 552 CB ASN E 77 50.480 58.642 31.598 1.00 9.90 C ATOM 553 CG ASN E 77 49.725 57.678 30.674 1.00 10.26 C ATOM 554 OD1 ASN E 77 50.004 56.487 30.674 1.00 9.70 O ATOM 555 ND2 ASN E 77 48.751 58.206 29.888 1.00 11.48 N ATOM 556 N SER E 78 50.746 56.791 33.815 1.00 9.70 N ATOM 557 CA SER E 78 50.622 55.650 34.713 1.00 11.36 C ATOM 558 C SER E 78 49.520 54.643 34.274 1.00 12.05 C ATOM 559 O SER E 78 49.040 53.830 35.082 1.00 12.23 O ATOM 560 CB SER E 78 50.413 56.149 36.181 1.00 11.72 C ATOM 561 OG SER E 78 49.139 56.833 36.280 1.00 13.86 O ATOM 562 N ILE E 79 49.127 54.677 32.999 1.00 11.86 N ATOM 563 CA ILE E 79 48.081 53.760 32.529 1.00 12.52 C ATOM 564 C ILE E 79 48.448 53.041 31.236 1.00 12.07 C ATOM 565 O ILE E 79 49.289 53.513 30.464 1.00 9.85 O ATOM 566 CB ILE E 79 46.736 54.512 32.321 1.00 13.54 C ATOM 567 CG1 ILE E 79 46.848 55.515 31.196 1.00 13.68 C ATOM 568 CG2 ILE E 79 46.314 55.288 33.599 1.00 14.17 C ATOM 569 CD1 ILE E 79 45.456 55.988 30.651 1.00 17.00 C ATOM 570 N GLY E 80 47.781 51.920 31.014 1.00 10.61 N ATOM 571 CA GLY E 80 47.807 51.289 29.708 1.00 11.26 C ATOM 572 C GLY E 80 49.187 50.847 29.264 1.00 10.88 C ATOM 573 O GLY E 80 49.941 50.218 30.023 1.00 11.57 O ATOM 574 N VAL E 81 49.480 51.155 28.009 1.00 11.14 N ATOM 575 CA VAL E 81 50.762 50.778 27.402 1.00 11.68 C ATOM 576 C VAL E 81 51.582 52.032 27.180 1.00 11.38 C ATOM 577 O VAL E 81 51.102 53.159 27.409 1.00 12.55 O ATOM 578 CB VAL E 81 50.566 50.013 26.074 1.00 11.37 C ATOM 579 CG1 VAL E 81 49.949 48.610 26.346 1.00 12.09 C ATOM 580 CG2 VAL E 81 49.691 50.849 25.027 1.00 10.05 C ATOM 581 N LEU E 82 52.821 51.843 26.773 1.00 10.90 N ATOM 582 CA LEU E 82 53.725 52.950 26.403 1.00 10.43 C ATOM 583 C LEU E 82 54.039 52.800 24.927 1.00 10.78 C ATOM 584 O LEU E 82 54.340 51.687 24.462 1.00 11.73 O ATOM 585 CB LEU E 82 55.034 52.778 27.210 1.00 9.20 C ATOM 586 CG LEU E 82 56.187 53.752 26.871 1.00 10.15 C ATOM 587 CD1 LEU E 82 55.706 55.211 27.199 1.00 10.50 C ATOM 588 CD2 LEU E 82 57.502 53.406 27.666 1.00 12.05 C ATOM 589 N GLY E 83 53.974 53.891 24.178 1.00 10.91 N ATOM 590 CA GLY E 83 54.259 53.840 22.755 1.00 10.20 C ATOM 591 C GLY E 83 55.767 53.957 22.472 1.00 10.06 C ATOM 592 O GLY E 83 56.557 54.311 23.346 1.00 9.32 O ATOM 593 N VAL E 84 56.149 53.664 21.242 1.00 9.19 N ATOM 594 CA VAL E 84 57.532 53.830 20.847 1.00 8.52 C ATOM 595 C VAL E 84 57.980 55.316 20.957 1.00 9.18 C ATOM 596 O VAL E 84 59.081 55.590 21.447 1.00 9.69 O ATOM 597 CB VAL E 84 57.756 53.301 19.405 1.00 8.41 C ATOM 598 CG1 VAL E 84 59.219 53.620 18.929 1.00 7.44 C ATOM 599 CG2 VAL E 84 57.524 51.721 19.357 1.00 8.83 C ATOM 600 N ALA E 85 57.135 56.247 20.473 1.00 9.25 N ATOM 601 CA ALA E 85 57.432 57.683 20.465 1.00 8.95 C ATOM 602 C ALA E 85 56.240 58.393 21.186 1.00 8.09 C ATOM 603 O ALA E 85 55.377 58.968 20.506 1.00 7.87 O ATOM 604 CB ALA E 85 57.569 58.189 18.973 1.00 8.31 C ATOM 605 N PRO E 86 56.191 58.307 22.522 1.00 9.43 N ATOM 606 CA PRO E 86 54.992 58.720 23.284 1.00 9.73 C ATOM 607 C PRO E 86 54.713 60.227 23.280 1.00 10.42 C ATOM 608 O PRO E 86 53.612 60.595 23.636 1.00 11.70 O ATOM 609 CB PRO E 86 55.262 58.181 24.705 1.00 10.81 C ATOM 610 CG PRO E 86 56.765 58.170 24.804 1.00 10.04 C ATOM 611 CD PRO E 86 57.207 57.688 23.416 1.00 7.56 C ATOM 612 N SER E 87 55.650 61.048 22.796 1.00 10.16 N ATOM 613 CA SER E 87 55.373 62.471 22.646 1.00 10.71 C ATOM 614 C SER E 87 55.093 62.886 21.204 1.00 11.17 C ATOM 615 O SER E 87 54.952 64.090 20.932 1.00 11.12 O ATOM 616 CB SER E 87 56.553 63.340 23.172 1.00 10.80 C ATOM 617 OG SER E 87 56.749 63.114 24.560 1.00 11.30 O ATOM 618 N ALA E 88 55.062 61.948 20.264 1.00 10.84 N ATOM 619 CA ALA E 88 54.796 62.358 18.871 1.00 11.75 C ATOM 620 C ALA E 88 53.464 63.084 18.699 1.00 11.86 C ATOM 621 O ALA E 88 52.514 62.849 19.453 1.00 12.45 O ATOM 622 CB ALA E 88 54.852 61.135 17.912 1.00 12.16 C ATOM 623 N SER E 89 53.403 63.973 17.703 1.00 11.86 N ATOM 624 CA SER E 89 52.134 64.608 17.326 1.00 12.17 C ATOM 625 C SER E 89 51.423 63.669 16.371 1.00 12.08 C ATOM 626 O SER E 89 51.866 63.464 15.238 1.00 11.01 O ATOM 627 CB SER E 89 52.362 65.996 16.682 1.00 11.64 C ATOM 628 OG SER E 89 52.909 66.873 17.665 1.00 14.66 O ATOM 629 N LEU E 90 50.322 63.087 16.849 1.00 12.84 N ATOM 630 CA LEU E 90 49.652 61.991 16.138 1.00 13.03 C ATOM 631 C LEU E 90 48.487 62.524 15.296 1.00 12.90 C ATOM 632 O LEU E 90 47.597 63.199 15.832 1.00 13.10 O ATOM 633 CB LEU E 90 49.157 60.974 17.201 1.00 14.16 C ATOM 634 CG LEU E 90 48.676 59.564 17.004 1.00 19.25 C ATOM 635 CD1 LEU E 90 49.762 58.705 16.277 1.00 18.34 C ATOM 636 CD2 LEU E 90 48.342 58.906 18.361 1.00 16.38 C ATOM 637 N TYR E 91 48.458 62.181 13.999 1.00 12.24 N ATOM 638 CA TYR E 91 47.383 62.643 13.109 1.00 11.62 C ATOM 639 C TYR E 91 46.578 61.443 12.571 1.00 12.67 C ATOM 640 O TYR E 91 47.147 60.479 12.035 1.00 11.73 O ATOM 641 CB TYR E 91 47.944 63.479 11.952 1.00 11.76 C ATOM 642 CG TYR E 91 48.511 64.780 12.477 1.00 12.33 C ATOM 643 CD1 TYR E 91 49.777 64.811 13.073 1.00 12.65 C ATOM 644 CD2 TYR E 91 47.739 65.952 12.472 1.00 14.76 C ATOM 645 CE1 TYR E 91 50.287 65.999 13.618 1.00 12.92 C ATOM 646 CE2 TYR E 91 48.231 67.139 13.023 1.00 14.64 C ATOM 647 CZ TYR E 91 49.507 67.144 13.572 1.00 16.45 C ATOM 648 OH TYR E 91 50.073 68.276 14.115 1.00 19.34 O ATOM 649 N ALA E 92 45.255 61.502 12.736 1.00 12.04 N ATOM 650 CA ALA E 92 44.391 60.429 12.256 1.00 12.32 C ATOM 651 C ALA E 92 44.001 60.767 10.799 1.00 13.48 C ATOM 652 O ALA E 92 43.237 61.703 10.559 1.00 13.72 O ATOM 653 CB ALA E 92 43.097 60.323 13.142 1.00 11.89 C ATOM 654 N VAL E 93 44.502 59.992 9.836 1.00 12.45 N ATOM 655 CA VAL E 93 44.129 60.243 8.428 1.00 13.61 C ATOM 656 C VAL E 93 43.323 59.025 7.984 1.00 13.74 C ATOM 657 O VAL E 93 43.883 57.976 7.647 1.00 14.57 O ATOM 658 CB VAL E 93 45.387 60.479 7.543 1.00 14.05 C ATOM 659 CG1 VAL E 93 45.006 60.752 6.054 1.00 13.70 C ATOM 660 CG2 VAL E 93 46.236 61.612 8.134 1.00 12.75 C ATOM 661 N LYS E 94 41.989 59.179 8.016 1.00 13.93 N ATOM 662 CA LYS E 94 41.109 58.046 7.824 1.00 14.86 C ATOM 663 C LYS E 94 40.904 57.800 6.331 1.00 15.68 C ATOM 664 O LYS E 94 40.402 58.686 5.612 1.00 16.14 O ATOM 665 CB LYS E 94 39.752 58.294 8.524 1.00 13.52 C ATOM 666 CG LYS E 94 38.780 57.096 8.324 1.00 16.61 C ATOM 667 CD LYS E 94 37.358 57.440 8.823 1.00 20.36 C ATOM 668 CE LYS E 94 37.208 57.127 10.239 1.00 24.64 C ATOM 669 NZ LYS E 94 35.736 57.101 10.689 1.00 24.89 N ATOM 670 N VAL E 95 41.311 56.617 5.878 1.00 14.97 N ATOM 671 CA VAL E 95 41.183 56.244 4.475 1.00 14.84 C ATOM 672 C VAL E 95 40.524 54.886 4.281 1.00 15.97 C ATOM 673 O VAL E 95 40.375 54.421 3.123 1.00 16.08 O ATOM 674 CB VAL E 95 42.579 56.213 3.757 1.00 14.37 C ATOM 675 CG1 VAL E 95 43.275 57.618 3.848 1.00 13.37 C ATOM 676 CG2 VAL E 95 43.474 55.004 4.273 1.00 15.08 C ATOM 677 N LEU E 96 40.156 54.231 5.394 1.00 17.04 N ATOM 678 CA LEU E 96 39.453 52.937 5.344 1.00 19.15 C ATOM 679 C LEU E 96 38.078 53.116 5.940 1.00 21.45 C ATOM 680 O LEU E 96 37.955 53.760 6.989 1.00 21.32 O ATOM 681 CB LEU E 96 40.195 51.841 6.172 1.00 18.94 C ATOM 682 CG LEU E 96 41.662 51.632 5.817 1.00 18.42 C ATOM 683 CD1 LEU E 96 42.319 50.620 6.787 1.00 18.10 C ATOM 684 CD2 LEU E 96 41.757 51.061 4.346 1.00 19.30 C ATOM 685 N GLY E 97 37.049 52.561 5.290 1.00 24.50 N ATOM 686 CA GLY E 97 35.732 52.517 5.901 1.00 29.48 C ATOM 687 C GLY E 97 35.647 51.496 7.040 1.00 32.24 C ATOM 688 O GLY E 97 36.469 50.573 7.100 1.00 33.32 O ATOM 689 N ALA E 98 34.683 51.681 7.957 1.00 34.19 N ATOM 690 CA ALA E 98 34.398 50.749 9.077 1.00 35.09 C ATOM 691 C ALA E 98 34.527 49.253 8.719 1.00 35.79 C ATOM 692 O ALA E 98 35.125 48.463 9.501 1.00 35.53 O ATOM 693 CB ALA E 98 33.004 51.027 9.665 1.00 35.72 C ATOM 694 N ASP E 99 33.960 48.875 7.567 1.00 34.56 N ATOM 695 CA ASP E 99 34.178 47.554 6.950 1.00 36.12 C ATOM 696 C ASP E 99 35.644 47.118 6.624 1.00 34.86 C ATOM 697 O ASP E 99 35.887 45.992 6.203 1.00 36.33 O ATOM 698 CB ASP E 99 33.265 47.390 5.702 1.00 35.72 C ATOM 699 CG ASP E 99 33.879 47.936 4.410 1.00 40.14 C ATOM 700 OD1 ASP E 99 34.772 48.838 4.422 1.00 40.04 O ATOM 701 OD2 ASP E 99 33.490 47.524 3.293 1.00 41.46 O ATOM 702 N GLY E 100 36.622 47.989 6.826 1.00 33.77 N ATOM 703 CA GLY E 100 38.004 47.604 6.592 1.00 29.67 C ATOM 704 C GLY E 100 38.410 47.463 5.130 1.00 28.42 C ATOM 705 O GLY E 100 39.146 46.523 4.781 1.00 26.33 O ATOM 706 N SER E 101 37.893 48.346 4.267 1.00 25.70 N ATOM 707 CA SER E 101 38.486 48.508 2.933 1.00 24.23 C ATOM 708 C SER E 101 38.517 49.978 2.488 1.00 21.53 C ATOM 709 O SER E 101 37.731 50.811 2.963 1.00 20.91 O ATOM 710 CB SER E 101 37.887 47.574 1.877 1.00 25.02 C ATOM 711 OG SER E 101 36.896 48.229 1.101 1.00 27.21 O ATOM 712 N GLY E 102 39.480 50.296 1.633 1.00 19.84 N ATOM 713 CA GLY E 102 39.580 51.636 1.080 1.00 19.10 C ATOM 714 C GLY E 102 39.856 51.612 -0.414 1.00 18.15 C ATOM 715 O GLY E 102 40.556 50.740 -0.919 1.00 18.89 O ATOM 716 N GLN E 103 39.294 52.578 -1.134 1.00 18.82 N ATOM 717 CA GLN E 103 39.619 52.785 -2.541 1.00 19.05 C ATOM 718 C GLN E 103 41.018 53.364 -2.681 1.00 19.37 C ATOM 719 O GLN E 103 41.461 54.139 -1.805 1.00 18.69 O ATOM 720 CB AGLN E 103 38.587 53.708 -3.184 0.50 18.92 C ATOM 721 CB BGLN E 103 38.625 53.771 -3.159 0.50 19.07 C ATOM 722 CG AGLN E 103 37.167 53.118 -3.130 0.50 20.93 C ATOM 723 CG BGLN E 103 37.159 53.312 -3.100 0.50 22.23 C ATOM 724 CD AGLN E 103 36.151 53.907 -3.924 0.50 23.15 C ATOM 725 CD BGLN E 103 36.917 52.028 -3.868 0.50 25.56 C ATOM 726 OE1AGLN E 103 36.508 54.727 -4.765 0.50 24.53 O ATOM 727 OE1BGLN E 103 37.317 51.911 -5.029 0.50 29.30 O ATOM 728 NE2AGLN E 103 34.880 53.656 -3.660 0.50 24.86 N ATOM 729 NE2BGLN E 103 36.269 51.054 -3.224 0.50 28.82 N ATOM 730 N TYR E 104 41.704 53.035 -3.780 1.00 19.18 N ATOM 731 CA TYR E 104 43.034 53.599 -4.016 1.00 19.11 C ATOM 732 C TYR E 104 43.032 55.139 -3.936 1.00 18.96 C ATOM 733 O TYR E 104 43.951 55.735 -3.346 1.00 17.59 O ATOM 734 CB TYR E 104 43.667 53.117 -5.331 1.00 19.30 C ATOM 735 CG TYR E 104 44.397 51.778 -5.229 1.00 20.79 C ATOM 736 CD1 TYR E 104 43.743 50.651 -4.724 1.00 21.02 C ATOM 737 CD2 TYR E 104 45.734 51.633 -5.664 1.00 22.22 C ATOM 738 CE1 TYR E 104 44.376 49.425 -4.665 1.00 23.56 C ATOM 739 CE2 TYR E 104 46.381 50.396 -5.584 1.00 23.40 C ATOM 740 CZ TYR E 104 45.696 49.304 -5.081 1.00 25.10 C ATOM 741 OH TYR E 104 46.275 48.053 -4.956 1.00 28.51 O ATOM 742 N SER E 105 42.007 55.771 -4.516 1.00 19.36 N ATOM 743 CA SER E 105 41.905 57.227 -4.462 1.00 19.90 C ATOM 744 C SER E 105 41.852 57.802 -3.037 1.00 19.00 C ATOM 745 O SER E 105 42.368 58.887 -2.804 1.00 17.95 O ATOM 746 CB SER E 105 40.718 57.771 -5.304 1.00 19.77 C ATOM 747 OG SER E 105 39.483 57.405 -4.724 1.00 23.89 O ATOM 748 N TRP E 106 41.236 57.088 -2.099 1.00 18.42 N ATOM 749 CA TRP E 106 41.158 57.571 -0.709 1.00 18.57 C ATOM 750 C TRP E 106 42.557 57.533 -0.054 1.00 18.04 C ATOM 751 O TRP E 106 42.923 58.472 0.653 1.00 17.28 O ATOM 752 CB TRP E 106 40.172 56.760 0.129 1.00 18.08 C ATOM 753 CG TRP E 106 38.780 56.606 -0.459 1.00 21.58 C ATOM 754 CD1 TRP E 106 38.224 57.300 -1.531 1.00 20.34 C ATOM 755 CD2 TRP E 106 37.766 55.711 0.008 1.00 20.62 C ATOM 756 NE1 TRP E 106 36.930 56.875 -1.732 1.00 21.07 N ATOM 757 CE2 TRP E 106 36.622 55.901 -0.812 1.00 20.93 C ATOM 758 CE3 TRP E 106 37.694 54.781 1.067 1.00 19.48 C ATOM 759 CZ2 TRP E 106 35.425 55.177 -0.621 1.00 22.86 C ATOM 760 CZ3 TRP E 106 36.518 54.046 1.250 1.00 24.09 C ATOM 761 CH2 TRP E 106 35.394 54.247 0.394 1.00 23.54 C ATOM 762 N ILE E 107 43.319 56.457 -0.303 1.00 16.60 N ATOM 763 CA ILE E 107 44.674 56.339 0.273 1.00 16.24 C ATOM 764 C ILE E 107 45.531 57.466 -0.335 1.00 16.69 C ATOM 765 O ILE E 107 46.237 58.181 0.386 1.00 14.54 O ATOM 766 CB ILE E 107 45.294 54.926 0.010 1.00 16.68 C ATOM 767 CG1 ILE E 107 44.793 53.871 1.037 1.00 17.07 C ATOM 768 CG2 ILE E 107 46.827 54.967 0.106 1.00 17.24 C ATOM 769 CD1 ILE E 107 43.302 53.503 0.995 1.00 18.90 C ATOM 770 N ILE E 108 45.446 57.637 -1.656 1.00 15.28 N ATOM 771 CA ILE E 108 46.177 58.715 -2.323 1.00 15.73 C ATOM 772 C ILE E 108 45.825 60.094 -1.753 1.00 15.58 C ATOM 773 O ILE E 108 46.727 60.913 -1.466 1.00 15.72 O ATOM 774 CB ILE E 108 45.935 58.643 -3.878 1.00 15.94 C ATOM 775 CG1 ILE E 108 46.688 57.431 -4.447 1.00 14.44 C ATOM 776 CG2 ILE E 108 46.403 59.968 -4.596 1.00 15.32 C ATOM 777 CD1 ILE E 108 46.112 56.957 -5.861 1.00 17.61 C ATOM 778 N ASN E 109 44.535 60.355 -1.562 1.00 14.91 N ATOM 779 CA ASN E 109 44.125 61.635 -0.994 1.00 16.35 C ATOM 780 C ASN E 109 44.690 61.839 0.427 1.00 16.00 C ATOM 781 O ASN E 109 45.060 62.959 0.800 1.00 15.35 O ATOM 782 CB ASN E 109 42.605 61.775 -0.993 1.00 16.09 C ATOM 783 CG ASN E 109 42.046 62.076 -2.398 1.00 20.95 C ATOM 784 OD1 ASN E 109 42.773 62.498 -3.277 1.00 23.58 O ATOM 785 ND2 ASN E 109 40.756 61.856 -2.590 1.00 20.69 N ATOM 786 N GLY E 110 44.740 60.743 1.208 1.00 15.83 N ATOM 787 CA GLY E 110 45.316 60.794 2.555 1.00 13.97 C ATOM 788 C GLY E 110 46.807 61.105 2.467 1.00 14.41 C ATOM 789 O GLY E 110 47.318 61.901 3.264 1.00 13.37 O ATOM 790 N ILE E 111 47.518 60.455 1.534 1.00 13.43 N ATOM 791 CA ILE E 111 48.951 60.775 1.370 1.00 13.87 C ATOM 792 C ILE E 111 49.124 62.277 0.983 1.00 14.26 C ATOM 793 O ILE E 111 49.974 62.975 1.545 1.00 14.85 O ATOM 794 CB ILE E 111 49.629 59.847 0.365 1.00 13.58 C ATOM 795 CG1 ILE E 111 49.619 58.395 0.888 1.00 12.65 C ATOM 796 CG2 ILE E 111 51.108 60.326 0.036 1.00 13.44 C ATOM 797 CD1 ILE E 111 49.852 57.308 -0.261 1.00 13.03 C ATOM 798 N GLU E 112 48.308 62.756 0.044 1.00 14.77 N ATOM 799 CA GLU E 112 48.335 64.173 -0.323 1.00 15.77 C ATOM 800 C GLU E 112 48.047 65.108 0.838 1.00 14.95 C ATOM 801 O GLU E 112 48.727 66.114 0.974 1.00 16.37 O ATOM 802 CB GLU E 112 47.357 64.482 -1.497 1.00 16.36 C ATOM 803 CG GLU E 112 47.771 63.784 -2.797 1.00 18.41 C ATOM 804 CD GLU E 112 48.892 64.483 -3.562 1.00 25.26 C ATOM 805 OE1 GLU E 112 49.531 65.459 -3.058 1.00 23.73 O ATOM 806 OE2 GLU E 112 49.148 64.033 -4.701 1.00 29.56 O ATOM 807 N TRP E 113 47.071 64.777 1.680 1.00 14.94 N ATOM 808 CA TRP E 113 46.776 65.569 2.886 1.00 13.69 C ATOM 809 C TRP E 113 48.021 65.609 3.787 1.00 14.07 C ATOM 810 O TRP E 113 48.381 66.648 4.310 1.00 14.00 O ATOM 811 CB TRP E 113 45.587 64.970 3.673 1.00 13.53 C ATOM 812 CG TRP E 113 45.204 65.792 4.880 1.00 14.22 C ATOM 813 CD1 TRP E 113 44.266 66.784 4.925 1.00 16.09 C ATOM 814 CD2 TRP E 113 45.783 65.727 6.204 1.00 15.38 C ATOM 815 NE1 TRP E 113 44.226 67.337 6.183 1.00 16.12 N ATOM 816 CE2 TRP E 113 45.146 66.713 6.987 1.00 17.45 C ATOM 817 CE3 TRP E 113 46.804 64.945 6.798 1.00 16.54 C ATOM 818 CZ2 TRP E 113 45.465 66.935 8.346 1.00 17.97 C ATOM 819 CZ3 TRP E 113 47.133 65.183 8.173 1.00 17.16 C ATOM 820 CH2 TRP E 113 46.462 66.176 8.909 1.00 16.21 C ATOM 821 N ALA E 114 48.676 64.459 3.967 1.00 14.11 N ATOM 822 CA ALA E 114 49.882 64.425 4.811 1.00 13.20 C ATOM 823 C ALA E 114 50.979 65.325 4.290 1.00 13.90 C ATOM 824 O ALA E 114 51.644 66.032 5.076 1.00 14.33 O ATOM 825 CB ALA E 114 50.386 62.965 4.968 1.00 12.41 C ATOM 826 N ILE E 115 51.208 65.298 2.969 1.00 14.87 N ATOM 827 CA ILE E 115 52.233 66.176 2.389 1.00 15.38 C ATOM 828 C ILE E 115 51.827 67.651 2.663 1.00 16.12 C ATOM 829 O ILE E 115 52.628 68.442 3.187 1.00 16.15 O ATOM 830 CB ILE E 115 52.428 65.915 0.858 1.00 15.88 C ATOM 831 CG1 ILE E 115 52.943 64.500 0.584 1.00 17.10 C ATOM 832 CG2 ILE E 115 53.439 66.924 0.240 1.00 16.45 C ATOM 833 CD1 ILE E 115 52.808 64.022 -0.911 1.00 16.92 C ATOM 834 N ALA E 116 50.578 67.993 2.351 1.00 15.56 N ATOM 835 CA ALA E 116 50.107 69.391 2.429 1.00 17.16 C ATOM 836 C ALA E 116 50.143 69.924 3.873 1.00 18.28 C ATOM 837 O ALA E 116 50.238 71.155 4.100 1.00 17.91 O ATOM 838 CB ALA E 116 48.674 69.517 1.854 1.00 17.34 C ATOM 839 N ASN E 117 50.069 69.003 4.844 1.00 16.37 N ATOM 840 CA ASN E 117 50.085 69.362 6.251 1.00 16.29 C ATOM 841 C ASN E 117 51.439 69.141 6.975 1.00 15.27 C ATOM 842 O ASN E 117 51.490 69.154 8.205 1.00 15.73 O ATOM 843 CB ASN E 117 48.918 68.643 6.944 1.00 16.00 C ATOM 844 CG ASN E 117 47.581 69.319 6.620 1.00 19.06 C ATOM 845 OD1 ASN E 117 47.125 70.191 7.366 1.00 20.50 O ATOM 846 ND2 ASN E 117 46.976 68.954 5.494 1.00 15.47 N ATOM 847 N ASN E 118 52.499 68.968 6.192 1.00 14.90 N ATOM 848 CA ASN E 118 53.884 68.894 6.651 1.00 15.93 C ATOM 849 C ASN E 118 54.142 67.761 7.653 1.00 14.84 C ATOM 850 O ASN E 118 54.897 67.927 8.627 1.00 14.92 O ATOM 851 CB ASN E 118 54.339 70.250 7.223 1.00 17.26 C ATOM 852 CG ASN E 118 54.150 71.369 6.223 1.00 22.10 C ATOM 853 OD1 ASN E 118 54.634 71.299 5.117 1.00 24.77 O ATOM 854 ND2 ASN E 118 53.375 72.373 6.600 1.00 27.19 N ATOM 855 N MET E 119 53.532 66.604 7.398 1.00 14.09 N ATOM 856 CA MET E 119 53.822 65.423 8.218 1.00 11.97 C ATOM 857 C MET E 119 55.287 65.030 8.027 1.00 13.14 C ATOM 858 O MET E 119 55.797 65.064 6.886 1.00 13.50 O ATOM 859 CB MET E 119 52.926 64.247 7.766 1.00 12.52 C ATOM 860 CG MET E 119 51.411 64.420 8.055 1.00 11.58 C ATOM 861 SD MET E 119 51.002 64.603 9.846 1.00 13.78 S ATOM 862 CE MET E 119 50.546 66.359 9.887 1.00 12.34 C ATOM 863 N ASP E 120 55.954 64.638 9.123 1.00 11.65 N ATOM 864 CA ASP E 120 57.346 64.139 9.064 1.00 11.53 C ATOM 865 C ASP E 120 57.415 62.652 8.721 1.00 10.60 C ATOM 866 O ASP E 120 58.385 62.213 8.110 1.00 9.91 O ATOM 867 CB ASP E 120 58.042 64.368 10.408 1.00 10.97 C ATOM 868 CG ASP E 120 58.082 65.853 10.757 1.00 14.98 C ATOM 869 OD1 ASP E 120 58.662 66.595 9.921 1.00 12.56 O ATOM 870 OD2 ASP E 120 57.441 66.332 11.730 1.00 12.74 O ATOM 871 N VAL E 121 56.387 61.901 9.144 1.00 10.38 N ATOM 872 CA VAL E 121 56.362 60.442 8.964 1.00 9.70 C ATOM 873 C VAL E 121 54.928 60.032 8.574 1.00 10.78 C ATOM 874 O VAL E 121 53.958 60.580 9.113 1.00 9.95 O ATOM 875 CB VAL E 121 56.751 59.716 10.309 1.00 9.64 C ATOM 876 CG1 VAL E 121 56.776 58.200 10.161 1.00 8.18 C ATOM 877 CG2 VAL E 121 58.132 60.261 10.897 1.00 8.68 C ATOM 878 N ILE E 122 54.819 59.063 7.667 1.00 10.33 N ATOM 879 CA ILE E 122 53.552 58.423 7.319 1.00 11.15 C ATOM 880 C ILE E 122 53.699 56.942 7.667 1.00 11.00 C ATOM 881 O ILE E 122 54.702 56.301 7.318 1.00 11.96 O ATOM 882 CB ILE E 122 53.273 58.559 5.804 1.00 11.68 C ATOM 883 CG1 ILE E 122 52.827 59.996 5.451 1.00 11.84 C ATOM 884 CG2 ILE E 122 52.213 57.516 5.330 1.00 10.43 C ATOM 885 CD1 ILE E 122 52.720 60.220 3.917 1.00 10.28 C ATOM 886 N ASN E 123 52.700 56.404 8.366 1.00 10.82 N ATOM 887 CA ASN E 123 52.618 54.954 8.515 1.00 9.92 C ATOM 888 C ASN E 123 51.398 54.460 7.761 1.00 10.82 C ATOM 889 O ASN E 123 50.274 54.995 7.944 1.00 10.09 O ATOM 890 CB ASN E 123 52.493 54.577 9.990 1.00 10.03 C ATOM 891 CG ASN E 123 52.471 53.057 10.203 1.00 10.63 C ATOM 892 OD1 ASN E 123 53.518 52.433 10.362 1.00 11.78 O ATOM 893 ND2 ASN E 123 51.264 52.478 10.268 1.00 10.59 N ATOM 894 N MET E 124 51.607 53.425 6.942 1.00 11.81 N ATOM 895 CA MET E 124 50.495 52.749 6.246 1.00 11.40 C ATOM 896 C MET E 124 50.491 51.252 6.570 1.00 11.86 C ATOM 897 O MET E 124 51.182 50.450 5.912 1.00 11.79 O ATOM 898 CB MET E 124 50.602 52.977 4.733 1.00 13.01 C ATOM 899 CG MET E 124 50.157 54.413 4.413 1.00 14.19 C ATOM 900 SD MET E 124 50.221 54.763 2.614 1.00 16.10 S ATOM 901 CE MET E 124 51.901 54.805 2.354 1.00 11.51 C ATOM 902 N SER E 125 49.723 50.890 7.590 1.00 11.46 N ATOM 903 CA SER E 125 49.587 49.476 7.966 1.00 12.17 C ATOM 904 C SER E 125 48.479 48.874 7.055 1.00 13.45 C ATOM 905 O SER E 125 47.435 48.367 7.511 1.00 12.24 O ATOM 906 CB SER E 125 49.231 49.371 9.434 1.00 11.79 C ATOM 907 OG SER E 125 50.418 49.558 10.204 1.00 11.85 O ATOM 908 N LEU E 126 48.744 48.939 5.759 1.00 13.48 N ATOM 909 CA LEU E 126 47.718 48.614 4.763 1.00 14.33 C ATOM 910 C LEU E 126 48.355 48.131 3.481 1.00 15.69 C ATOM 911 O LEU E 126 49.568 48.322 3.250 1.00 15.08 O ATOM 912 CB LEU E 126 46.832 49.823 4.439 1.00 15.15 C ATOM 913 CG ALEU E 126 47.321 51.249 4.244 0.50 13.10 C ATOM 914 CG BLEU E 126 46.566 51.074 5.222 0.50 16.07 C ATOM 915 CD1ALEU E 126 47.823 51.348 2.834 0.50 14.90 C ATOM 916 CD1BLEU E 126 46.527 52.298 4.309 0.50 16.81 C ATOM 917 CD2ALEU E 126 46.191 52.290 4.518 0.50 13.81 C ATOM 918 CD2BLEU E 126 45.233 50.844 5.805 0.50 19.04 C ATOM 919 N GLY E 127 47.559 47.498 2.619 1.00 16.16 N ATOM 920 CA GLY E 127 48.134 47.074 1.364 1.00 16.90 C ATOM 921 C GLY E 127 47.154 46.433 0.391 1.00 17.97 C ATOM 922 O GLY E 127 46.008 46.117 0.763 1.00 16.13 O ATOM 923 N GLY E 128 47.647 46.215 -0.833 1.00 18.42 N ATOM 924 CA GLY E 128 46.881 45.482 -1.847 1.00 19.14 C ATOM 925 C GLY E 128 47.883 44.812 -2.765 1.00 20.40 C ATOM 926 O GLY E 128 49.040 45.212 -2.795 1.00 19.43 O ATOM 927 N PRO E 129 47.466 43.779 -3.497 1.00 21.82 N ATOM 928 CA PRO E 129 48.391 43.052 -4.385 1.00 22.73 C ATOM 929 C PRO E 129 48.768 43.777 -5.675 1.00 23.71 C ATOM 930 O PRO E 129 49.745 43.324 -6.277 1.00 25.13 O ATOM 931 CB PRO E 129 47.594 41.781 -4.742 1.00 23.28 C ATOM 932 CG PRO E 129 46.140 42.251 -4.680 1.00 21.56 C ATOM 933 CD PRO E 129 46.124 43.148 -3.444 1.00 22.74 C ATOM 934 N SER E 130 48.073 44.825 -6.099 1.00 24.47 N ATOM 935 CA SER E 130 48.450 45.506 -7.346 1.00 26.31 C ATOM 936 C SER E 130 48.901 46.922 -7.121 1.00 27.00 C ATOM 937 O SER E 130 48.477 47.570 -6.180 1.00 27.64 O ATOM 938 CB SER E 130 47.289 45.580 -8.343 1.00 25.78 C ATOM 939 OG ASER E 130 46.121 46.006 -7.704 0.50 27.12 O ATOM 940 OG BSER E 130 46.402 44.489 -8.178 0.50 24.72 O ATOM 941 N GLY E 131 49.736 47.422 -8.005 1.00 27.48 N ATOM 942 CA GLY E 131 50.097 48.817 -7.858 1.00 28.38 C ATOM 943 C GLY E 131 49.126 49.674 -8.638 1.00 28.36 C ATOM 944 O GLY E 131 48.197 49.161 -9.311 1.00 28.70 O ATOM 945 N SER E 132 49.328 50.976 -8.555 1.00 26.18 N ATOM 946 CA SER E 132 48.862 51.863 -9.609 1.00 24.45 C ATOM 947 C SER E 132 49.916 52.957 -9.792 1.00 24.63 C ATOM 948 O SER E 132 50.660 53.302 -8.846 1.00 21.90 O ATOM 949 CB SER E 132 47.483 52.424 -9.283 1.00 24.57 C ATOM 950 OG SER E 132 47.529 53.545 -8.393 1.00 22.32 O ATOM 951 N ALA E 133 49.972 53.512 -11.004 1.00 22.88 N ATOM 952 CA ALA E 133 50.831 54.653 -11.260 1.00 22.76 C ATOM 953 C ALA E 133 50.495 55.815 -10.313 1.00 21.32 C ATOM 954 O ALA E 133 51.400 56.483 -9.838 1.00 21.15 O ATOM 955 CB ALA E 133 50.732 55.100 -12.731 1.00 24.22 C ATOM 956 N ALA E 134 49.209 56.040 -10.044 1.00 19.96 N ATOM 957 CA ALA E 134 48.818 57.169 -9.197 1.00 19.71 C ATOM 958 C ALA E 134 49.293 56.918 -7.735 1.00 19.57 C ATOM 959 O ALA E 134 49.713 57.854 -7.027 1.00 19.16 O ATOM 960 CB ALA E 134 47.289 57.387 -9.252 1.00 19.49 C ATOM 961 N LEU E 135 49.199 55.664 -7.295 1.00 19.02 N ATOM 962 CA LEU E 135 49.664 55.327 -5.938 1.00 18.48 C ATOM 963 C LEU E 135 51.178 55.515 -5.811 1.00 18.39 C ATOM 964 O LEU E 135 51.669 56.126 -4.834 1.00 17.64 O ATOM 965 CB LEU E 135 49.258 53.906 -5.560 1.00 17.54 C ATOM 966 CG LEU E 135 49.696 53.481 -4.130 1.00 18.54 C ATOM 967 CD1 LEU E 135 49.021 54.364 -3.077 1.00 16.37 C ATOM 968 CD2 LEU E 135 49.423 51.991 -3.880 1.00 18.21 C ATOM 969 N LYS E 136 51.925 54.964 -6.777 1.00 17.44 N ATOM 970 CA LYS E 136 53.385 55.136 -6.797 1.00 17.54 C ATOM 971 C LYS E 136 53.741 56.622 -6.818 1.00 17.23 C ATOM 972 O LYS E 136 54.682 57.063 -6.149 1.00 16.30 O ATOM 973 CB LYS E 136 54.034 54.422 -8.016 1.00 16.65 C ATOM 974 CG LYS E 136 55.580 54.389 -7.922 1.00 18.07 C ATOM 975 CD LYS E 136 56.251 53.726 -9.120 1.00 19.50 C ATOM 976 CE LYS E 136 57.721 53.557 -8.838 1.00 19.81 C ATOM 977 NZ LYS E 136 58.525 54.834 -8.896 1.00 19.74 N ATOM 978 N ALA E 137 53.003 57.416 -7.599 1.00 18.01 N ATOM 979 CA ALA E 137 53.345 58.843 -7.703 1.00 17.82 C ATOM 980 C ALA E 137 53.129 59.538 -6.349 1.00 17.75 C ATOM 981 O ALA E 137 53.899 60.431 -5.975 1.00 18.45 O ATOM 982 CB ALA E 137 52.499 59.535 -8.797 1.00 18.56 C ATOM 983 N ALA E 138 52.096 59.117 -5.607 1.00 16.77 N ATOM 984 CA ALA E 138 51.786 59.790 -4.336 1.00 15.70 C ATOM 985 C ALA E 138 52.861 59.485 -3.299 1.00 14.76 C ATOM 986 O ALA E 138 53.349 60.418 -2.641 1.00 13.18 O ATOM 987 CB ALA E 138 50.399 59.421 -3.821 1.00 15.87 C ATOM 988 N VAL E 139 53.262 58.210 -3.175 1.00 14.47 N ATOM 989 CA VAL E 139 54.353 57.867 -2.240 1.00 14.22 C ATOM 990 C VAL E 139 55.697 58.478 -2.678 1.00 14.89 C ATOM 991 O VAL E 139 56.459 58.975 -1.841 1.00 15.10 O ATOM 992 CB VAL E 139 54.482 56.346 -1.899 1.00 13.58 C ATOM 993 CG1 VAL E 139 53.202 55.829 -1.212 1.00 14.52 C ATOM 994 CG2 VAL E 139 54.849 55.484 -3.114 1.00 13.90 C ATOM 995 N ASP E 140 55.970 58.489 -3.988 1.00 15.08 N ATOM 996 CA ASP E 140 57.198 59.123 -4.476 1.00 16.35 C ATOM 997 C ASP E 140 57.221 60.615 -4.177 1.00 16.02 C ATOM 998 O ASP E 140 58.262 61.152 -3.761 1.00 17.15 O ATOM 999 CB ASP E 140 57.363 58.909 -5.994 1.00 16.66 C ATOM 1000 CG ASP E 140 57.744 57.467 -6.353 1.00 19.20 C ATOM 1001 OD1 ASP E 140 57.939 56.612 -5.427 1.00 17.51 O ATOM 1002 OD2 ASP E 140 57.827 57.083 -7.558 1.00 18.18 O ATOM 1003 N LYS E 141 56.085 61.283 -4.380 1.00 15.70 N ATOM 1004 CA LYS E 141 55.957 62.710 -4.056 1.00 16.42 C ATOM 1005 C LYS E 141 56.195 62.968 -2.564 1.00 14.86 C ATOM 1006 O LYS E 141 56.884 63.911 -2.195 1.00 13.83 O ATOM 1007 CB LYS E 141 54.569 63.239 -4.447 1.00 16.50 C ATOM 1008 CG LYS E 141 54.404 64.763 -4.396 1.00 19.39 C ATOM 1009 CD LYS E 141 52.924 65.145 -4.607 1.00 20.79 C ATOM 1010 CE LYS E 141 52.637 66.618 -4.331 1.00 25.20 C ATOM 1011 NZ LYS E 141 51.220 66.877 -4.765 1.00 25.59 N ATOM 1012 N ALA E 142 55.587 62.150 -1.695 1.00 13.57 N ATOM 1013 CA ALA E 142 55.796 62.318 -0.245 1.00 13.07 C ATOM 1014 C ALA E 142 57.279 62.206 0.093 1.00 12.12 C ATOM 1015 O ALA E 142 57.828 63.007 0.842 1.00 12.20 O ATOM 1016 CB ALA E 142 54.984 61.213 0.551 1.00 11.13 C ATOM 1017 N VAL E 143 57.932 61.194 -0.438 1.00 11.93 N ATOM 1018 CA VAL E 143 59.356 61.010 -0.149 1.00 12.46 C ATOM 1019 C VAL E 143 60.207 62.154 -0.742 1.00 13.29 C ATOM 1020 O VAL E 143 61.140 62.661 -0.070 1.00 12.24 O ATOM 1021 CB VAL E 143 59.831 59.619 -0.648 1.00 12.92 C ATOM 1022 CG1 VAL E 143 61.368 59.465 -0.582 1.00 11.70 C ATOM 1023 CG2 VAL E 143 59.152 58.493 0.184 1.00 11.17 C ATOM 1024 N ALA E 144 59.899 62.567 -1.981 1.00 13.99 N ATOM 1025 CA ALA E 144 60.582 63.751 -2.565 1.00 13.86 C ATOM 1026 C ALA E 144 60.413 64.990 -1.696 1.00 16.14 C ATOM 1027 O ALA E 144 61.295 65.881 -1.699 1.00 16.76 O ATOM 1028 CB ALA E 144 60.066 64.064 -4.007 1.00 13.84 C ATOM 1029 N SER E 145 59.268 65.091 -1.019 1.00 15.07 N ATOM 1030 CA SER E 145 58.947 66.245 -0.157 1.00 15.94 C ATOM 1031 C SER E 145 59.561 66.165 1.252 1.00 14.57 C ATOM 1032 O SER E 145 59.392 67.087 2.048 1.00 14.88 O ATOM 1033 CB SER E 145 57.431 66.434 -0.049 1.00 16.53 C ATOM 1034 OG SER E 145 56.904 66.673 -1.353 1.00 19.29 O ATOM 1035 N GLY E 146 60.263 65.073 1.551 1.00 14.30 N ATOM 1036 CA GLY E 146 60.966 64.945 2.809 1.00 12.57 C ATOM 1037 C GLY E 146 60.310 64.036 3.849 1.00 12.25 C ATOM 1038 O GLY E 146 60.819 63.935 4.960 1.00 11.53 O ATOM 1039 N VAL E 147 59.190 63.384 3.503 1.00 11.94 N ATOM 1040 CA VAL E 147 58.465 62.523 4.480 1.00 11.08 C ATOM 1041 C VAL E 147 59.072 61.118 4.540 1.00 11.11 C ATOM 1042 O VAL E 147 59.449 60.543 3.507 1.00 11.31 O ATOM 1043 CB VAL E 147 56.973 62.356 4.054 1.00 11.55 C ATOM 1044 CG1 VAL E 147 56.153 61.518 5.155 1.00 9.99 C ATOM 1045 CG2 VAL E 147 56.359 63.742 3.778 1.00 10.99 C ATOM 1046 N VAL E 148 59.230 60.583 5.743 1.00 10.28 N ATOM 1047 CA VAL E 148 59.603 59.172 5.906 1.00 10.79 C ATOM 1048 C VAL E 148 58.341 58.328 5.738 1.00 11.02 C ATOM 1049 O VAL E 148 57.372 58.504 6.507 1.00 11.44 O ATOM 1050 CB VAL E 148 60.194 58.907 7.330 1.00 10.70 C ATOM 1051 CG1 VAL E 148 60.499 57.406 7.513 1.00 11.64 C ATOM 1052 CG2 VAL E 148 61.526 59.774 7.554 1.00 10.76 C ATOM 1053 N VAL E 149 58.329 57.415 4.751 1.00 9.64 N ATOM 1054 CA VAL E 149 57.106 56.660 4.486 1.00 11.25 C ATOM 1055 C VAL E 149 57.350 55.187 4.823 1.00 10.40 C ATOM 1056 O VAL E 149 58.277 54.574 4.292 1.00 9.54 O ATOM 1057 CB VAL E 149 56.645 56.792 2.986 1.00 11.73 C ATOM 1058 CG1 VAL E 149 55.305 56.010 2.803 1.00 10.15 C ATOM 1059 CG2 VAL E 149 56.464 58.280 2.626 1.00 13.26 C ATOM 1060 N VAL E 150 56.533 54.645 5.736 1.00 11.48 N ATOM 1061 CA VAL E 150 56.718 53.282 6.244 1.00 10.48 C ATOM 1062 C VAL E 150 55.433 52.509 5.994 1.00 10.96 C ATOM 1063 O VAL E 150 54.343 53.043 6.231 1.00 11.37 O ATOM 1064 CB VAL E 150 56.932 53.283 7.806 1.00 12.40 C ATOM 1065 CG1 VAL E 150 57.280 51.881 8.311 1.00 10.60 C ATOM 1066 CG2 VAL E 150 58.082 54.264 8.190 1.00 9.68 C ATOM 1067 N ALA E 151 55.542 51.262 5.519 1.00 11.31 N ATOM 1068 CA ALA E 151 54.325 50.454 5.338 1.00 11.69 C ATOM 1069 C ALA E 151 54.508 48.973 5.730 1.00 11.57 C ATOM 1070 O ALA E 151 55.624 48.455 5.704 1.00 11.48 O ATOM 1071 CB ALA E 151 53.852 50.546 3.888 1.00 12.08 C ATOM 1072 N ALA E 152 53.406 48.307 6.071 1.00 10.68 N ATOM 1073 CA ALA E 152 53.395 46.856 6.312 1.00 11.56 C ATOM 1074 C ALA E 152 53.838 46.111 5.009 1.00 11.33 C ATOM 1075 O ALA E 152 53.381 46.463 3.892 1.00 11.46 O ATOM 1076 CB ALA E 152 51.956 46.407 6.765 1.00 11.31 C ATOM 1077 N ALA E 153 54.681 45.092 5.141 1.00 11.61 N ATOM 1078 CA ALA E 153 55.100 44.359 3.925 1.00 12.94 C ATOM 1079 C ALA E 153 53.954 43.540 3.311 1.00 13.48 C ATOM 1080 O ALA E 153 53.987 43.265 2.107 1.00 13.92 O ATOM 1081 CB ALA E 153 56.358 43.424 4.204 1.00 13.28 C ATOM 1082 N GLY E 154 52.975 43.138 4.140 1.00 13.65 N ATOM 1083 CA GLY E 154 51.914 42.220 3.714 1.00 13.11 C ATOM 1084 C GLY E 154 51.970 40.914 4.538 1.00 13.77 C ATOM 1085 O GLY E 154 52.964 40.603 5.197 1.00 12.31 O ATOM 1086 N ASN E 155 50.860 40.171 4.520 1.00 13.34 N ATOM 1087 CA ASN E 155 50.692 38.969 5.322 1.00 14.58 C ATOM 1088 C ASN E 155 50.461 37.776 4.362 1.00 14.93 C ATOM 1089 O ASN E 155 49.685 36.873 4.673 1.00 15.20 O ATOM 1090 CB ASN E 155 49.471 39.088 6.253 1.00 13.64 C ATOM 1091 CG ASN E 155 49.627 40.201 7.313 1.00 14.63 C ATOM 1092 OD1 ASN E 155 50.754 40.615 7.655 1.00 14.41 O ATOM 1093 ND2 ASN E 155 48.496 40.632 7.871 1.00 13.83 N ATOM 1094 N GLU E 156 51.164 37.788 3.235 1.00 15.77 N ATOM 1095 CA GLU E 156 50.994 36.709 2.221 1.00 17.37 C ATOM 1096 C GLU E 156 51.912 35.498 2.441 1.00 19.17 C ATOM 1097 O GLU E 156 51.862 34.495 1.685 1.00 20.37 O ATOM 1098 CB GLU E 156 51.254 37.282 0.840 1.00 16.74 C ATOM 1099 CG GLU E 156 50.285 38.388 0.422 1.00 19.58 C ATOM 1100 CD GLU E 156 48.815 37.937 0.450 1.00 23.13 C ATOM 1101 OE1 GLU E 156 48.545 36.769 0.146 1.00 23.41 O ATOM 1102 OE2 GLU E 156 47.928 38.740 0.792 1.00 24.56 O ATOM 1103 N GLY E 157 52.800 35.576 3.420 1.00 18.68 N ATOM 1104 CA GLY E 157 53.680 34.452 3.682 1.00 19.02 C ATOM 1105 C GLY E 157 54.583 34.150 2.487 1.00 20.54 C ATOM 1106 O GLY E 157 54.981 35.070 1.791 1.00 20.81 O ATOM 1107 N THR E 158 54.915 32.875 2.267 1.00 21.53 N ATOM 1108 CA THR E 158 55.813 32.506 1.156 1.00 25.13 C ATOM 1109 C THR E 158 55.031 32.005 -0.063 1.00 27.43 C ATOM 1110 O THR E 158 53.859 31.633 0.039 1.00 28.11 O ATOM 1111 CB THR E 158 56.825 31.420 1.569 1.00 25.00 C ATOM 1112 OG1 THR E 158 56.106 30.273 2.067 1.00 26.19 O ATOM 1113 CG2 THR E 158 57.674 31.871 2.750 1.00 23.96 C ATOM 1114 N SER E 159 55.686 32.013 -1.217 1.00 29.73 N ATOM 1115 CA SER E 159 55.101 31.435 -2.420 1.00 31.99 C ATOM 1116 C SER E 159 56.280 31.051 -3.311 1.00 32.34 C ATOM 1117 O SER E 159 56.531 31.703 -4.327 1.00 32.48 O ATOM 1118 CB SER E 159 54.183 32.448 -3.090 1.00 32.45 C ATOM 1119 OG SER E 159 53.632 31.896 -4.274 1.00 37.30 O ATOM 1120 N GLY E 160 57.036 30.042 -2.858 1.00 32.63 N ATOM 1121 CA GLY E 160 58.230 29.568 -3.537 1.00 32.92 C ATOM 1122 C GLY E 160 59.291 30.640 -3.593 1.00 33.11 C ATOM 1123 O GLY E 160 59.723 31.174 -2.560 1.00 33.39 O ATOM 1124 N SER E 161 59.708 30.973 -4.811 1.00 32.80 N ATOM 1125 CA SER E 161 60.739 31.981 -5.003 1.00 31.86 C ATOM 1126 C SER E 161 60.133 33.327 -5.409 1.00 30.62 C ATOM 1127 O SER E 161 60.864 34.228 -5.758 1.00 31.46 O ATOM 1128 CB SER E 161 61.775 31.512 -6.041 1.00 33.20 C ATOM 1129 OG ASER E 161 61.321 31.740 -7.367 0.67 33.36 O ATOM 1130 OG BSER E 161 62.070 30.133 -5.893 0.33 31.92 O ATOM 1131 N SER E 162 58.810 33.464 -5.370 1.00 28.93 N ATOM 1132 CA SER E 162 58.167 34.715 -5.772 1.00 28.22 C ATOM 1133 C SER E 162 58.163 35.712 -4.607 1.00 25.40 C ATOM 1134 O SER E 162 58.075 35.294 -3.467 1.00 23.52 O ATOM 1135 CB SER E 162 56.727 34.469 -6.202 1.00 29.83 C ATOM 1136 OG SER E 162 56.691 33.616 -7.355 1.00 33.45 O ATOM 1137 N SER E 163 58.269 37.004 -4.918 1.00 23.54 N ATOM 1138 CA SER E 163 58.060 38.048 -3.900 1.00 20.74 C ATOM 1139 C SER E 163 56.559 38.073 -3.564 1.00 20.55 C ATOM 1140 O SER E 163 55.737 37.890 -4.447 1.00 19.24 O ATOM 1141 CB SER E 163 58.499 39.397 -4.432 1.00 19.84 C ATOM 1142 OG SER E 163 57.927 40.417 -3.617 1.00 20.08 O ATOM 1143 N THR E 164 56.194 38.260 -2.299 1.00 18.19 N ATOM 1144 CA THR E 164 54.790 38.409 -1.926 1.00 16.91 C ATOM 1145 C THR E 164 54.533 39.720 -1.183 1.00 16.47 C ATOM 1146 O THR E 164 53.476 39.914 -0.588 1.00 15.19 O ATOM 1147 CB THR E 164 54.331 37.253 -1.046 1.00 17.58 C ATOM 1148 OG1 THR E 164 55.091 37.245 0.181 1.00 16.40 O ATOM 1149 CG2 THR E 164 54.638 35.849 -1.774 1.00 16.79 C ATOM 1150 N VAL E 165 55.486 40.634 -1.271 1.00 16.62 N ATOM 1151 CA VAL E 165 55.332 41.950 -0.674 1.00 16.03 C ATOM 1152 C VAL E 165 54.260 42.691 -1.479 1.00 16.21 C ATOM 1153 O VAL E 165 54.354 42.791 -2.708 1.00 16.11 O ATOM 1154 CB VAL E 165 56.701 42.713 -0.711 1.00 16.46 C ATOM 1155 CG1 VAL E 165 56.520 44.214 -0.288 1.00 15.40 C ATOM 1156 CG2 VAL E 165 57.787 41.997 0.091 1.00 15.39 C ATOM 1157 N GLY E 166 53.252 43.243 -0.795 1.00 15.25 N ATOM 1158 CA GLY E 166 52.222 44.031 -1.458 1.00 14.86 C ATOM 1159 C GLY E 166 52.545 45.515 -1.573 1.00 15.55 C ATOM 1160 O GLY E 166 53.592 45.968 -1.092 1.00 14.65 O ATOM 1161 N TYR E 167 51.618 46.262 -2.184 1.00 14.20 N ATOM 1162 CA TYR E 167 51.763 47.700 -2.398 1.00 14.92 C ATOM 1163 C TYR E 167 51.006 48.465 -1.288 1.00 14.31 C ATOM 1164 O TYR E 167 49.915 48.042 -0.896 1.00 14.04 O ATOM 1165 CB TYR E 167 51.115 48.041 -3.731 1.00 14.80 C ATOM 1166 CG TYR E 167 51.878 47.451 -4.896 1.00 16.39 C ATOM 1167 CD1 TYR E 167 52.968 48.129 -5.451 1.00 19.12 C ATOM 1168 CD2 TYR E 167 51.521 46.206 -5.417 1.00 21.69 C ATOM 1169 CE1 TYR E 167 53.696 47.582 -6.509 1.00 20.16 C ATOM 1170 CE2 TYR E 167 52.228 45.659 -6.487 1.00 21.28 C ATOM 1171 CZ TYR E 167 53.311 46.345 -7.023 1.00 23.55 C ATOM 1172 OH TYR E 167 54.026 45.781 -8.078 1.00 23.68 O ATOM 1173 N PRO E 168 51.482 49.629 -0.832 1.00 13.31 N ATOM 1174 CA PRO E 168 52.624 50.393 -1.381 1.00 13.33 C ATOM 1175 C PRO E 168 54.013 49.976 -0.851 1.00 13.03 C ATOM 1176 O PRO E 168 55.041 50.535 -1.283 1.00 12.55 O ATOM 1177 CB PRO E 168 52.264 51.850 -0.971 1.00 13.83 C ATOM 1178 CG PRO E 168 51.531 51.698 0.367 1.00 13.09 C ATOM 1179 CD PRO E 168 50.721 50.368 0.200 1.00 13.95 C ATOM 1180 N GLY E 169 54.058 49.005 0.071 1.00 12.95 N ATOM 1181 CA GLY E 169 55.331 48.528 0.620 1.00 12.48 C ATOM 1182 C GLY E 169 56.316 48.168 -0.498 1.00 13.46 C ATOM 1183 O GLY E 169 57.528 48.439 -0.377 1.00 12.70 O ATOM 1184 N LYS E 170 55.810 47.580 -1.586 1.00 13.17 N ATOM 1185 CA LYS E 170 56.701 47.084 -2.657 1.00 14.41 C ATOM 1186 C LYS E 170 57.437 48.202 -3.441 1.00 15.13 C ATOM 1187 O LYS E 170 58.454 47.919 -4.110 1.00 16.23 O ATOM 1188 CB LYS E 170 55.865 46.199 -3.614 1.00 14.90 C ATOM 1189 CG LYS E 170 56.702 45.241 -4.464 1.00 18.34 C ATOM 1190 CD LYS E 170 55.787 44.344 -5.353 1.00 21.79 C ATOM 1191 CE LYS E 170 56.633 43.390 -6.203 1.00 25.76 C ATOM 1192 NZ LYS E 170 55.805 42.313 -6.881 1.00 28.88 N ATOM 1193 N TYR E 171 56.939 49.442 -3.401 1.00 14.79 N ATOM 1194 CA TYR E 171 57.654 50.561 -4.067 1.00 15.59 C ATOM 1195 C TYR E 171 58.972 50.886 -3.379 1.00 15.70 C ATOM 1196 O TYR E 171 59.018 50.970 -2.116 1.00 15.68 O ATOM 1197 CB TYR E 171 56.796 51.823 -4.081 1.00 15.94 C ATOM 1198 CG TYR E 171 55.548 51.669 -4.907 1.00 17.14 C ATOM 1199 CD1 TYR E 171 55.622 51.243 -6.239 1.00 18.95 C ATOM 1200 CD2 TYR E 171 54.291 51.910 -4.349 1.00 18.12 C ATOM 1201 CE1 TYR E 171 54.465 51.065 -6.997 1.00 19.84 C ATOM 1202 CE2 TYR E 171 53.113 51.763 -5.116 1.00 17.22 C ATOM 1203 CZ TYR E 171 53.225 51.347 -6.440 1.00 19.51 C ATOM 1204 OH TYR E 171 52.066 51.179 -7.186 1.00 23.51 O ATOM 1205 N PRO E 172 60.044 51.093 -4.169 1.00 14.98 N ATOM 1206 CA PRO E 172 61.381 51.418 -3.622 1.00 14.77 C ATOM 1207 C PRO E 172 61.378 52.599 -2.621 1.00 13.89 C ATOM 1208 O PRO E 172 62.163 52.560 -1.651 1.00 14.93 O ATOM 1209 CB PRO E 172 62.210 51.779 -4.887 1.00 15.93 C ATOM 1210 CG PRO E 172 61.586 50.925 -5.966 1.00 16.16 C ATOM 1211 CD PRO E 172 60.072 50.945 -5.642 1.00 16.13 C ATOM 1212 N SER E 173 60.515 53.591 -2.843 1.00 13.80 N ATOM 1213 CA SER E 173 60.543 54.819 -2.013 1.00 13.66 C ATOM 1214 C SER E 173 59.957 54.567 -0.600 1.00 12.65 C ATOM 1215 O SER E 173 60.133 55.417 0.284 1.00 12.84 O ATOM 1216 CB SER E 173 59.786 55.983 -2.694 1.00 12.82 C ATOM 1217 OG SER E 173 58.390 55.659 -2.834 1.00 14.51 O ATOM 1218 N VAL E 174 59.270 53.434 -0.417 1.00 11.22 N ATOM 1219 CA VAL E 174 58.581 53.107 0.865 1.00 11.12 C ATOM 1220 C VAL E 174 59.368 52.029 1.612 1.00 12.43 C ATOM 1221 O VAL E 174 59.890 51.085 0.989 1.00 11.42 O ATOM 1222 CB VAL E 174 57.133 52.566 0.574 1.00 10.95 C ATOM 1223 CG1 VAL E 174 56.399 52.082 1.863 1.00 10.10 C ATOM 1224 CG2 VAL E 174 56.318 53.647 -0.185 1.00 10.68 C ATOM 1225 N ILE E 175 59.496 52.176 2.936 1.00 10.86 N ATOM 1226 CA ILE E 175 60.182 51.182 3.760 1.00 10.49 C ATOM 1227 C ILE E 175 59.173 50.068 4.074 1.00 10.71 C ATOM 1228 O ILE E 175 58.163 50.318 4.782 1.00 10.32 O ATOM 1229 CB ILE E 175 60.646 51.866 5.087 1.00 9.81 C ATOM 1230 CG1 ILE E 175 61.730 52.918 4.796 1.00 10.75 C ATOM 1231 CG2 ILE E 175 61.190 50.795 6.102 1.00 10.37 C ATOM 1232 CD1 ILE E 175 61.901 53.943 6.007 1.00 9.58 C ATOM 1233 N ALA E 176 59.393 48.872 3.500 1.00 10.82 N ATOM 1234 CA ALA E 176 58.483 47.738 3.733 1.00 11.07 C ATOM 1235 C ALA E 176 58.939 46.927 4.927 1.00 10.69 C ATOM 1236 O ALA E 176 60.107 46.519 5.023 1.00 11.28 O ATOM 1237 CB ALA E 176 58.402 46.802 2.462 1.00 11.87 C ATOM 1238 N VAL E 177 58.003 46.689 5.859 1.00 9.99 N ATOM 1239 CA VAL E 177 58.353 46.128 7.154 1.00 9.94 C ATOM 1240 C VAL E 177 57.676 44.762 7.371 1.00 10.67 C ATOM 1241 O VAL E 177 56.439 44.685 7.336 1.00 10.40 O ATOM 1242 CB VAL E 177 57.893 47.074 8.325 1.00 9.98 C ATOM 1243 CG1 VAL E 177 58.318 46.473 9.722 1.00 9.68 C ATOM 1244 CG2 VAL E 177 58.491 48.535 8.076 1.00 9.47 C ATOM 1245 N GLY E 178 58.475 43.731 7.658 1.00 11.12 N ATOM 1246 CA GLY E 178 57.909 42.404 7.968 1.00 11.28 C ATOM 1247 C GLY E 178 57.851 42.178 9.472 1.00 12.21 C ATOM 1248 O GLY E 178 58.343 43.018 10.290 1.00 11.10 O ATOM 1249 N ALA E 179 57.272 41.044 9.861 1.00 11.07 N ATOM 1250 CA ALA E 179 57.001 40.765 11.268 1.00 10.50 C ATOM 1251 C ALA E 179 57.837 39.627 11.828 1.00 11.54 C ATOM 1252 O ALA E 179 57.897 38.550 11.214 1.00 11.69 O ATOM 1253 CB ALA E 179 55.514 40.424 11.485 1.00 11.16 C ATOM 1254 N VAL E 180 58.410 39.865 13.004 1.00 10.61 N ATOM 1255 CA VAL E 180 59.036 38.804 13.811 1.00 11.30 C ATOM 1256 C VAL E 180 58.300 38.669 15.150 1.00 12.61 C ATOM 1257 O VAL E 180 57.517 39.562 15.539 1.00 13.55 O ATOM 1258 CB VAL E 180 60.555 39.004 14.068 1.00 11.41 C ATOM 1259 CG1 VAL E 180 61.367 38.909 12.733 1.00 11.70 C ATOM 1260 CG2 VAL E 180 60.855 40.346 14.837 1.00 11.39 C ATOM 1261 N ASP E 181 58.549 37.557 15.847 1.00 13.13 N ATOM 1262 CA ASP E 181 58.051 37.408 17.205 1.00 13.93 C ATOM 1263 C ASP E 181 59.117 37.777 18.224 1.00 14.23 C ATOM 1264 O ASP E 181 60.198 38.304 17.867 1.00 12.92 O ATOM 1265 CB ASP E 181 57.488 35.968 17.411 1.00 15.07 C ATOM 1266 CG ASP E 181 58.549 34.898 17.327 1.00 17.58 C ATOM 1267 OD1 ASP E 181 59.777 35.190 17.453 1.00 14.13 O ATOM 1268 OD2 ASP E 181 58.230 33.679 17.142 1.00 19.45 O ATOM 1269 N SER E 182 58.856 37.470 19.498 1.00 15.15 N ATOM 1270 CA SER E 182 59.763 37.876 20.577 1.00 17.35 C ATOM 1271 C SER E 182 61.101 37.134 20.595 1.00 18.50 C ATOM 1272 O SER E 182 61.990 37.529 21.330 1.00 18.17 O ATOM 1273 CB SER E 182 59.095 37.729 21.968 1.00 19.88 C ATOM 1274 OG SER E 182 58.844 36.348 22.280 1.00 19.14 O ATOM 1275 N SER E 183 61.215 36.037 19.835 1.00 17.42 N ATOM 1276 CA SER E 183 62.499 35.335 19.681 1.00 17.21 C ATOM 1277 C SER E 183 63.197 35.718 18.389 1.00 17.17 C ATOM 1278 O SER E 183 64.195 35.063 17.981 1.00 16.96 O ATOM 1279 CB SER E 183 62.277 33.800 19.685 1.00 17.93 C ATOM 1280 OG ASER E 183 61.520 33.357 20.815 0.67 19.78 O ATOM 1281 OG BSER E 183 61.610 33.415 18.512 0.33 15.84 O ATOM 1282 N ASN E 184 62.702 36.783 17.721 1.00 16.49 N ATOM 1283 CA ASN E 184 63.248 37.192 16.420 1.00 16.54 C ATOM 1284 C ASN E 184 63.003 36.219 15.261 1.00 16.72 C ATOM 1285 O ASN E 184 63.669 36.301 14.242 1.00 17.32 O ATOM 1286 CB ASN E 184 64.750 37.521 16.515 1.00 16.25 C ATOM 1287 CG ASN E 184 65.000 38.836 17.245 1.00 21.70 C ATOM 1288 OD1 ASN E 184 64.107 39.667 17.323 1.00 20.06 O ATOM 1289 ND2 ASN E 184 66.212 39.037 17.734 1.00 22.53 N ATOM 1290 N GLN E 185 62.037 35.317 15.407 1.00 16.67 N ATOM 1291 CA GLN E 185 61.663 34.418 14.313 1.00 17.20 C ATOM 1292 C GLN E 185 60.640 35.124 13.446 1.00 15.96 C ATOM 1293 O GLN E 185 59.690 35.707 13.955 1.00 14.72 O ATOM 1294 CB GLN E 185 61.040 33.126 14.876 1.00 19.01 C ATOM 1295 CG GLN E 185 62.028 32.117 15.381 1.00 28.34 C ATOM 1296 CD GLN E 185 62.817 31.492 14.226 1.00 39.59 C ATOM 1297 OE1 GLN E 185 62.226 30.921 13.280 1.00 43.75 O ATOM 1298 NE2 GLN E 185 64.146 31.646 14.267 1.00 41.68 N ATOM 1299 N ARG E 186 60.812 35.025 12.136 1.00 15.20 N ATOM 1300 CA ARG E 186 59.847 35.556 11.191 1.00 16.70 C ATOM 1301 C ARG E 186 58.498 34.876 11.468 1.00 16.58 C ATOM 1302 O ARG E 186 58.445 33.649 11.675 1.00 15.62 O ATOM 1303 CB ARG E 186 60.354 35.236 9.800 1.00 17.61 C ATOM 1304 CG ARG E 186 59.375 35.304 8.728 1.00 21.25 C ATOM 1305 CD ARG E 186 59.914 34.791 7.383 1.00 18.54 C ATOM 1306 NE ARG E 186 58.735 34.827 6.601 1.00 18.47 N ATOM 1307 CZ ARG E 186 57.904 33.795 6.467 1.00 18.75 C ATOM 1308 NH1 ARG E 186 58.192 32.625 6.998 1.00 18.58 N ATOM 1309 NH2 ARG E 186 56.780 33.959 5.797 1.00 17.78 N ATOM 1310 N ALA E 187 57.431 35.661 11.515 1.00 15.24 N ATOM 1311 CA ALA E 187 56.078 35.121 11.660 1.00 15.99 C ATOM 1312 C ALA E 187 55.706 34.415 10.357 1.00 16.11 C ATOM 1313 O ALA E 187 56.028 34.898 9.276 1.00 14.43 O ATOM 1314 CB ALA E 187 55.097 36.270 11.888 1.00 16.08 C ATOM 1315 N SER E 188 54.975 33.300 10.443 1.00 17.47 N ATOM 1316 CA SER E 188 54.707 32.504 9.204 1.00 17.73 C ATOM 1317 C SER E 188 53.950 33.274 8.133 1.00 17.20 C ATOM 1318 O SER E 188 54.126 33.027 6.943 1.00 18.42 O ATOM 1319 CB SER E 188 53.936 31.221 9.544 1.00 18.35 C ATOM 1320 OG SER E 188 52.680 31.577 10.143 1.00 23.14 O ATOM 1321 N PHE E 189 53.077 34.191 8.549 1.00 16.12 N ATOM 1322 CA PHE E 189 52.304 35.016 7.631 1.00 15.24 C ATOM 1323 C PHE E 189 53.119 36.153 6.976 1.00 14.58 C ATOM 1324 O PHE E 189 52.646 36.763 6.032 1.00 14.57 O ATOM 1325 CB PHE E 189 51.046 35.590 8.335 1.00 16.00 C ATOM 1326 CG PHE E 189 51.359 36.456 9.529 1.00 17.31 C ATOM 1327 CD1 PHE E 189 51.849 37.753 9.341 1.00 14.57 C ATOM 1328 CD2 PHE E 189 51.145 35.977 10.845 1.00 17.48 C ATOM 1329 CE1 PHE E 189 52.187 38.559 10.467 1.00 16.43 C ATOM 1330 CE2 PHE E 189 51.469 36.779 11.988 1.00 17.65 C ATOM 1331 CZ PHE E 189 51.988 38.041 11.800 1.00 14.98 C ATOM 1332 N SER E 190 54.308 36.479 7.482 1.00 14.43 N ATOM 1333 CA SER E 190 54.986 37.717 7.042 1.00 13.96 C ATOM 1334 C SER E 190 55.429 37.610 5.560 1.00 13.90 C ATOM 1335 O SER E 190 56.109 36.636 5.206 1.00 14.64 O ATOM 1336 CB SER E 190 56.219 37.976 7.947 1.00 14.55 C ATOM 1337 OG SER E 190 56.903 39.188 7.562 1.00 14.19 O ATOM 1338 N SER E 191 55.020 38.553 4.705 1.00 14.49 N ATOM 1339 CA SER E 191 55.452 38.574 3.288 1.00 14.57 C ATOM 1340 C SER E 191 56.952 38.578 3.108 1.00 15.73 C ATOM 1341 O SER E 191 57.718 39.032 3.972 1.00 15.74 O ATOM 1342 CB SER E 191 54.862 39.755 2.496 1.00 14.05 C ATOM 1343 OG SER E 191 53.474 39.565 2.263 1.00 14.03 O ATOM 1344 N VAL E 192 57.382 38.089 1.946 1.00 16.33 N ATOM 1345 CA VAL E 192 58.797 37.885 1.673 1.00 15.98 C ATOM 1346 C VAL E 192 59.153 38.413 0.295 1.00 16.50 C ATOM 1347 O VAL E 192 58.270 38.658 -0.540 1.00 16.52 O ATOM 1348 CB VAL E 192 59.180 36.379 1.771 1.00 17.64 C ATOM 1349 CG1 VAL E 192 58.990 35.887 3.208 1.00 17.02 C ATOM 1350 CG2 VAL E 192 58.372 35.518 0.700 1.00 16.33 C ATOM 1351 N GLY E 193 60.443 38.612 0.049 1.00 16.85 N ATOM 1352 CA GLY E 193 60.865 39.092 -1.265 1.00 17.70 C ATOM 1353 C GLY E 193 62.004 40.091 -1.182 1.00 18.12 C ATOM 1354 O GLY E 193 62.342 40.551 -0.093 1.00 17.79 O ATOM 1355 N PRO E 194 62.620 40.442 -2.312 1.00 18.30 N ATOM 1356 CA PRO E 194 63.761 41.375 -2.276 1.00 18.52 C ATOM 1357 C PRO E 194 63.329 42.791 -1.807 1.00 18.04 C ATOM 1358 O PRO E 194 64.173 43.575 -1.354 1.00 18.07 O ATOM 1359 CB PRO E 194 64.279 41.375 -3.726 1.00 18.63 C ATOM 1360 CG PRO E 194 63.159 40.840 -4.558 1.00 20.02 C ATOM 1361 CD PRO E 194 62.298 39.979 -3.673 1.00 19.01 C ATOM 1362 N GLU E 195 62.038 43.083 -1.865 1.00 17.01 N ATOM 1363 CA GLU E 195 61.503 44.377 -1.405 1.00 17.00 C ATOM 1364 C GLU E 195 61.325 44.489 0.114 1.00 16.65 C ATOM 1365 O GLU E 195 61.060 45.599 0.649 1.00 16.18 O ATOM 1366 CB GLU E 195 60.177 44.711 -2.120 1.00 16.32 C ATOM 1367 CG GLU E 195 60.257 44.663 -3.655 1.00 20.09 C ATOM 1368 CD GLU E 195 60.009 43.272 -4.233 1.00 23.61 C ATOM 1369 OE1 GLU E 195 59.800 42.298 -3.457 1.00 20.01 O ATOM 1370 OE2 GLU E 195 60.049 43.150 -5.482 1.00 24.67 O ATOM 1371 N LEU E 196 61.450 43.367 0.821 1.00 15.85 N ATOM 1372 CA LEU E 196 61.325 43.393 2.283 1.00 16.28 C ATOM 1373 C LEU E 196 62.544 44.159 2.793 1.00 16.00 C ATOM 1374 O LEU E 196 63.698 43.813 2.460 1.00 15.87 O ATOM 1375 CB LEU E 196 61.285 41.949 2.818 1.00 16.65 C ATOM 1376 CG LEU E 196 61.241 41.674 4.305 1.00 19.55 C ATOM 1377 CD1 LEU E 196 59.988 42.415 4.892 1.00 18.18 C ATOM 1378 CD2 LEU E 196 61.158 40.138 4.461 1.00 16.90 C ATOM 1379 N ASP E 197 62.328 45.194 3.604 1.00 14.08 N ATOM 1380 CA ASP E 197 63.442 46.028 4.005 1.00 13.19 C ATOM 1381 C ASP E 197 63.976 45.724 5.415 1.00 12.63 C ATOM 1382 O ASP E 197 65.154 45.394 5.591 1.00 12.83 O ATOM 1383 CB ASP E 197 63.030 47.487 3.896 1.00 13.74 C ATOM 1384 CG ASP E 197 64.231 48.459 3.962 1.00 16.56 C ATOM 1385 OD1 ASP E 197 65.431 48.024 3.925 1.00 16.00 O ATOM 1386 OD2 ASP E 197 64.056 49.693 4.078 1.00 17.53 O ATOM 1387 N VAL E 198 63.109 45.847 6.437 1.00 11.84 N ATOM 1388 CA VAL E 198 63.515 45.577 7.832 1.00 11.10 C ATOM 1389 C VAL E 198 62.354 44.827 8.515 1.00 11.09 C ATOM 1390 O VAL E 198 61.231 44.741 7.980 1.00 12.22 O ATOM 1391 CB VAL E 198 63.789 46.916 8.613 1.00 10.87 C ATOM 1392 CG1 VAL E 198 64.986 47.696 7.948 1.00 11.85 C ATOM 1393 CG2 VAL E 198 62.464 47.786 8.692 1.00 10.27 C ATOM 1394 N MET E 199 62.617 44.309 9.694 1.00 11.83 N ATOM 1395 CA MET E 199 61.620 43.585 10.442 1.00 11.10 C ATOM 1396 C MET E 199 61.363 44.340 11.755 1.00 10.56 C ATOM 1397 O MET E 199 62.260 45.017 12.286 1.00 9.71 O ATOM 1398 CB MET E 199 62.171 42.224 10.883 1.00 10.36 C ATOM 1399 CG MET E 199 62.637 41.306 9.705 1.00 12.59 C ATOM 1400 SD MET E 199 61.351 41.035 8.448 1.00 14.35 S ATOM 1401 CE MET E 199 60.590 39.564 9.136 1.00 13.21 C ATOM 1402 N ALA E 200 60.176 44.119 12.319 1.00 10.61 N ATOM 1403 CA ALA E 200 59.910 44.604 13.683 1.00 10.22 C ATOM 1404 C ALA E 200 58.901 43.656 14.357 1.00 10.04 C ATOM 1405 O ALA E 200 58.302 42.794 13.672 1.00 10.18 O ATOM 1406 CB ALA E 200 59.388 46.081 13.636 1.00 9.48 C ATOM 1407 N PRO E 201 58.697 43.771 15.674 1.00 10.79 N ATOM 1408 CA PRO E 201 57.744 42.851 16.362 1.00 10.40 C ATOM 1409 C PRO E 201 56.320 42.949 15.771 1.00 10.78 C ATOM 1410 O PRO E 201 55.751 44.067 15.687 1.00 10.49 O ATOM 1411 CB PRO E 201 57.752 43.353 17.810 1.00 10.67 C ATOM 1412 CG PRO E 201 59.238 43.923 17.928 1.00 11.11 C ATOM 1413 CD PRO E 201 59.359 44.718 16.611 1.00 10.15 C ATOM 1414 N GLY E 202 55.738 41.795 15.379 1.00 9.81 N ATOM 1415 CA GLY E 202 54.358 41.825 14.922 1.00 9.07 C ATOM 1416 C GLY E 202 53.529 40.624 15.377 1.00 10.29 C ATOM 1417 O GLY E 202 52.551 40.290 14.708 1.00 11.86 O ATOM 1418 N VAL E 203 53.921 39.977 16.474 1.00 11.28 N ATOM 1419 CA VAL E 203 53.158 38.844 17.030 1.00 11.97 C ATOM 1420 C VAL E 203 52.744 39.202 18.452 1.00 12.29 C ATOM 1421 O VAL E 203 53.598 39.542 19.265 1.00 11.62 O ATOM 1422 CB VAL E 203 54.018 37.553 16.995 1.00 12.02 C ATOM 1423 CG1 VAL E 203 53.262 36.356 17.621 1.00 12.26 C ATOM 1424 CG2 VAL E 203 54.414 37.226 15.517 1.00 12.95 C ATOM 1425 N SER E 204 51.444 39.086 18.742 1.00 12.38 N ATOM 1426 CA SER E 204 50.906 39.288 20.107 1.00 12.51 C ATOM 1427 C SER E 204 51.325 40.681 20.659 1.00 11.73 C ATOM 1428 O SER E 204 51.904 40.804 21.756 1.00 10.53 O ATOM 1429 CB SER E 204 51.400 38.179 21.034 1.00 14.55 C ATOM 1430 OG ASER E 204 51.020 36.904 20.505 0.67 14.66 O ATOM 1431 OG BSER E 204 50.700 38.222 22.261 0.33 13.63 O ATOM 1432 N ILE E 205 51.028 41.702 19.864 1.00 10.16 N ATOM 1433 CA ILE E 205 51.404 43.076 20.187 1.00 9.85 C ATOM 1434 C ILE E 205 50.261 43.758 20.906 1.00 9.62 C ATOM 1435 O ILE E 205 49.199 43.978 20.313 1.00 10.05 O ATOM 1436 CB ILE E 205 51.717 43.851 18.882 1.00 9.46 C ATOM 1437 CG1 ILE E 205 52.816 43.146 18.054 1.00 10.03 C ATOM 1438 CG2 ILE E 205 52.106 45.371 19.174 1.00 9.91 C ATOM 1439 CD1 ILE E 205 54.200 42.950 18.820 1.00 9.40 C ATOM 1440 N GLN E 206 50.466 44.053 22.182 1.00 9.95 N ATOM 1441 CA GLN E 206 49.465 44.761 22.988 1.00 10.75 C ATOM 1442 C GLN E 206 49.454 46.245 22.619 1.00 11.13 C ATOM 1443 O GLN E 206 50.525 46.885 22.532 1.00 9.49 O ATOM 1444 CB GLN E 206 49.796 44.625 24.494 1.00 10.92 C ATOM 1445 CG GLN E 206 49.458 43.233 25.098 1.00 14.72 C ATOM 1446 CD GLN E 206 47.923 42.989 25.237 1.00 15.10 C ATOM 1447 OE1 GLN E 206 47.118 43.928 25.109 1.00 15.88 O ATOM 1448 NE2 GLN E 206 47.542 41.743 25.548 1.00 16.13 N ATOM 1449 N SER E 207 48.254 46.803 22.422 1.00 10.54 N ATOM 1450 CA SER E 207 48.131 48.233 22.183 1.00 9.91 C ATOM 1451 C SER E 207 46.703 48.712 22.510 1.00 10.15 C ATOM 1452 O SER E 207 45.852 47.932 22.971 1.00 9.56 O ATOM 1453 CB SER E 207 48.465 48.557 20.701 1.00 10.22 C ATOM 1454 OG SER E 207 48.537 49.953 20.523 1.00 8.97 O ATOM 1455 N THR E 208 46.444 49.992 22.233 1.00 10.95 N ATOM 1456 CA THR E 208 45.135 50.652 22.520 1.00 10.59 C ATOM 1457 C THR E 208 44.048 50.226 21.515 1.00 11.27 C ATOM 1458 O THR E 208 44.344 50.053 20.347 1.00 11.37 O ATOM 1459 CB THR E 208 45.339 52.162 22.385 1.00 10.85 C ATOM 1460 OG1 THR E 208 46.084 52.424 21.172 1.00 9.12 O ATOM 1461 CG2 THR E 208 46.228 52.692 23.553 1.00 10.09 C ATOM 1462 N LEU E 209 42.818 50.020 22.003 1.00 11.17 N ATOM 1463 CA LEU E 209 41.640 49.676 21.156 1.00 11.76 C ATOM 1464 C LEU E 209 40.502 50.621 21.543 1.00 12.21 C ATOM 1465 O LEU E 209 40.458 51.103 22.682 1.00 13.25 O ATOM 1466 CB LEU E 209 41.224 48.204 21.371 1.00 11.40 C ATOM 1467 CG LEU E 209 42.194 47.153 20.757 1.00 11.82 C ATOM 1468 CD1 LEU E 209 41.819 45.689 21.191 1.00 11.67 C ATOM 1469 CD2 LEU E 209 42.262 47.283 19.240 1.00 11.75 C ATOM 1470 N PRO E 210 39.577 50.899 20.623 1.00 13.38 N ATOM 1471 CA PRO E 210 38.522 51.884 20.884 1.00 13.15 C ATOM 1472 C PRO E 210 37.657 51.551 22.123 1.00 13.65 C ATOM 1473 O PRO E 210 37.504 50.361 22.519 1.00 13.92 O ATOM 1474 CB PRO E 210 37.688 51.841 19.604 1.00 14.86 C ATOM 1475 CG PRO E 210 38.712 51.425 18.553 1.00 13.71 C ATOM 1476 CD PRO E 210 39.496 50.341 19.250 1.00 12.10 C ATOM 1477 N GLY E 211 37.135 52.611 22.718 1.00 14.01 N ATOM 1478 CA GLY E 211 36.312 52.505 23.917 1.00 14.79 C ATOM 1479 C GLY E 211 37.172 52.167 25.134 1.00 14.73 C ATOM 1480 O GLY E 211 36.750 51.394 26.003 1.00 14.98 O ATOM 1481 N ASN E 212 38.362 52.777 25.209 1.00 13.84 N ATOM 1482 CA ASN E 212 39.246 52.623 26.376 1.00 13.32 C ATOM 1483 C ASN E 212 39.543 51.152 26.660 1.00 13.74 C ATOM 1484 O ASN E 212 39.382 50.647 27.798 1.00 13.61 O ATOM 1485 CB ASN E 212 38.655 53.344 27.618 1.00 14.98 C ATOM 1486 CG ASN E 212 39.618 53.359 28.772 1.00 16.07 C ATOM 1487 OD1 ASN E 212 40.840 53.311 28.576 1.00 15.94 O ATOM 1488 ND2 ASN E 212 39.078 53.405 29.995 1.00 18.95 N ATOM 1489 N LYS E 213 39.961 50.430 25.620 1.00 12.49 N ATOM 1490 CA LYS E 213 40.339 49.025 25.793 1.00 11.79 C ATOM 1491 C LYS E 213 41.784 48.832 25.345 1.00 11.34 C ATOM 1492 O LYS E 213 42.411 49.787 24.860 1.00 11.10 O ATOM 1493 CB LYS E 213 39.427 48.115 24.920 1.00 12.60 C ATOM 1494 CG LYS E 213 37.892 48.203 25.267 1.00 13.32 C ATOM 1495 CD LYS E 213 37.643 47.621 26.662 1.00 18.83 C ATOM 1496 CE LYS E 213 36.132 47.497 27.016 1.00 23.84 C ATOM 1497 NZ ALYS E 213 36.000 46.970 28.421 0.33 19.80 N ATOM 1498 NZ BLYS E 213 35.504 48.827 27.207 0.67 21.82 N ATOM 1499 N TYR E 214 42.325 47.631 25.565 1.00 10.34 N ATOM 1500 CA TYR E 214 43.655 47.224 25.071 1.00 11.17 C ATOM 1501 C TYR E 214 43.526 45.803 24.559 1.00 12.07 C ATOM 1502 O TYR E 214 42.658 45.042 25.026 1.00 13.56 O ATOM 1503 CB TYR E 214 44.726 47.250 26.194 1.00 10.71 C ATOM 1504 CG TYR E 214 44.824 48.630 26.852 1.00 11.63 C ATOM 1505 CD1 TYR E 214 45.697 49.617 26.349 1.00 10.76 C ATOM 1506 CD2 TYR E 214 43.965 48.969 27.931 1.00 12.47 C ATOM 1507 CE1 TYR E 214 45.736 50.910 26.933 1.00 9.46 C ATOM 1508 CE2 TYR E 214 43.983 50.271 28.500 1.00 14.89 C ATOM 1509 CZ TYR E 214 44.877 51.221 27.997 1.00 13.13 C ATOM 1510 OH TYR E 214 44.921 52.472 28.584 1.00 10.87 O ATOM 1511 N GLY E 215 44.395 45.403 23.653 1.00 11.92 N ATOM 1512 CA GLY E 215 44.391 44.020 23.231 1.00 11.35 C ATOM 1513 C GLY E 215 45.582 43.698 22.336 1.00 11.55 C ATOM 1514 O GLY E 215 46.217 44.603 21.795 1.00 10.41 O ATOM 1515 N ALA E 216 45.893 42.403 22.250 1.00 11.39 N ATOM 1516 CA ALA E 216 47.008 41.880 21.457 1.00 11.99 C ATOM 1517 C ALA E 216 46.546 41.466 20.043 1.00 13.11 C ATOM 1518 O ALA E 216 45.605 40.648 19.883 1.00 12.46 O ATOM 1519 CB ALA E 216 47.610 40.648 22.197 1.00 12.96 C ATOM 1520 N TYR E 217 47.194 42.040 19.024 1.00 12.57 N ATOM 1521 CA TYR E 217 46.944 41.712 17.620 1.00 12.05 C ATOM 1522 C ATYR E 217 48.237 41.187 16.988 0.50 12.14 C ATOM 1523 C BTYR E 217 48.245 41.298 16.918 0.50 12.15 C ATOM 1524 O ATYR E 217 49.335 41.354 17.554 0.50 11.24 O ATOM 1525 O BTYR E 217 49.345 41.593 17.407 0.50 11.17 O ATOM 1526 CB ATYR E 217 46.590 43.021 16.859 0.50 11.13 C ATOM 1527 CB BTYR E 217 46.198 42.833 16.890 0.50 11.91 C ATOM 1528 CG ATYR E 217 45.163 43.524 16.931 0.50 11.17 C ATOM 1529 CG BTYR E 217 44.684 42.795 17.089 0.50 14.64 C ATOM 1530 CD1ATYR E 217 44.262 43.021 17.865 0.50 6.65 C ATOM 1531 CD1BTYR E 217 44.017 43.852 17.694 0.50 15.62 C ATOM 1532 CD2ATYR E 217 44.718 44.522 16.055 0.50 7.93 C ATOM 1533 CD2BTYR E 217 43.921 41.708 16.653 0.50 16.04 C ATOM 1534 CE1ATYR E 217 42.955 43.455 17.907 0.50 8.05 C ATOM 1535 CE1BTYR E 217 42.625 43.841 17.861 0.50 17.16 C ATOM 1536 CE2ATYR E 217 43.417 44.988 16.091 0.50 10.24 C ATOM 1537 CE2BTYR E 217 42.514 41.688 16.817 0.50 18.66 C ATOM 1538 CZ ATYR E 217 42.533 44.443 17.025 0.50 9.94 C ATOM 1539 CZ BTYR E 217 41.881 42.766 17.426 0.50 18.52 C ATOM 1540 OH ATYR E 217 41.236 44.884 17.085 0.50 12.70 O ATOM 1541 OH BTYR E 217 40.492 42.758 17.589 0.50 19.32 O ATOM 1542 N ASN E 218 48.094 40.570 15.808 1.00 12.12 N ATOM 1543 CA ASN E 218 49.215 40.042 15.016 1.00 12.64 C ATOM 1544 C ASN E 218 49.115 40.634 13.639 1.00 11.98 C ATOM 1545 O ASN E 218 48.017 40.865 13.141 1.00 13.82 O ATOM 1546 CB ASN E 218 49.143 38.477 14.881 1.00 13.35 C ATOM 1547 CG ASN E 218 48.991 37.779 16.225 1.00 15.87 C ATOM 1548 OD1 ASN E 218 49.898 37.740 17.010 1.00 16.48 O ATOM 1549 ND2 ASN E 218 47.799 37.242 16.495 1.00 20.77 N ATOM 1550 N GLY E 219 50.255 40.874 13.002 1.00 11.44 N ATOM 1551 CA GLY E 219 50.231 41.277 11.595 1.00 10.95 C ATOM 1552 C GLY E 219 51.448 42.095 11.203 1.00 11.41 C ATOM 1553 O GLY E 219 52.127 42.653 12.081 1.00 10.53 O ATOM 1554 N THR E 220 51.722 42.232 9.902 1.00 10.85 N ATOM 1555 CA THR E 220 52.735 43.240 9.534 1.00 11.24 C ATOM 1556 C THR E 220 52.174 44.637 9.831 1.00 10.73 C ATOM 1557 O THR E 220 52.950 45.607 9.874 1.00 10.23 O ATOM 1558 CB THR E 220 53.234 43.115 8.072 1.00 11.18 C ATOM 1559 OG1 THR E 220 52.115 43.029 7.174 1.00 11.09 O ATOM 1560 CG2 THR E 220 54.027 41.793 7.864 1.00 11.59 C ATOM 1561 N SER E 221 50.839 44.752 9.996 1.00 10.13 N ATOM 1562 CA SER E 221 50.208 46.003 10.535 1.00 9.92 C ATOM 1563 C SER E 221 50.830 46.487 11.851 1.00 10.59 C ATOM 1564 O SER E 221 50.908 47.687 12.090 1.00 10.25 O ATOM 1565 CB SER E 221 48.708 45.877 10.798 1.00 9.39 C ATOM 1566 OG SER E 221 47.937 46.050 9.604 1.00 11.17 O ATOM 1567 N MET E 222 51.153 45.535 12.717 1.00 9.68 N ATOM 1568 CA MET E 222 51.703 45.809 14.044 1.00 9.70 C ATOM 1569 C MET E 222 53.193 46.083 13.970 1.00 9.50 C ATOM 1570 O MET E 222 53.725 46.779 14.829 1.00 10.19 O ATOM 1571 CB MET E 222 51.482 44.611 14.994 1.00 10.40 C ATOM 1572 CG MET E 222 50.027 44.516 15.505 1.00 9.85 C ATOM 1573 SD MET E 222 48.691 44.248 14.213 1.00 11.99 S ATOM 1574 CE MET E 222 47.941 45.815 14.157 1.00 9.94 C ATOM 1575 N ALA E 223 53.878 45.508 12.971 1.00 9.90 N ATOM 1576 CA ALA E 223 55.306 45.713 12.832 1.00 9.79 C ATOM 1577 C ALA E 223 55.643 47.143 12.309 1.00 9.12 C ATOM 1578 O ALA E 223 56.502 47.842 12.837 1.00 9.30 O ATOM 1579 CB ALA E 223 55.887 44.642 11.867 1.00 8.50 C ATOM 1580 N SER E 224 54.913 47.568 11.278 1.00 9.14 N ATOM 1581 CA SER E 224 55.124 48.881 10.616 1.00 8.78 C ATOM 1582 C SER E 224 55.205 50.046 11.634 1.00 9.46 C ATOM 1583 O SER E 224 56.130 50.873 11.564 1.00 9.76 O ATOM 1584 CB SER E 224 54.005 49.125 9.595 1.00 10.16 C ATOM 1585 OG SER E 224 54.211 50.318 8.837 1.00 9.86 O ATOM 1586 N PRO E 225 54.244 50.183 12.553 1.00 8.74 N ATOM 1587 CA PRO E 225 54.325 51.322 13.489 1.00 7.84 C ATOM 1588 C PRO E 225 55.469 51.264 14.475 1.00 9.59 C ATOM 1589 O PRO E 225 55.775 52.345 15.004 1.00 9.19 O ATOM 1590 CB PRO E 225 52.954 51.312 14.208 1.00 8.24 C ATOM 1591 CG PRO E 225 52.568 49.752 14.127 1.00 7.68 C ATOM 1592 CD PRO E 225 52.965 49.462 12.701 1.00 9.62 C ATOM 1593 N HIS E 226 56.078 50.111 14.752 1.00 8.25 N ATOM 1594 CA HIS E 226 57.330 50.163 15.523 1.00 9.10 C ATOM 1595 C HIS E 226 58.388 50.994 14.742 1.00 8.79 C ATOM 1596 O HIS E 226 59.171 51.745 15.342 1.00 8.02 O ATOM 1597 CB HIS E 226 57.884 48.751 15.804 1.00 8.34 C ATOM 1598 CG HIS E 226 57.107 47.978 16.858 1.00 9.81 C ATOM 1599 ND1 HIS E 226 55.979 47.221 16.559 1.00 8.39 N ATOM 1600 CD2 HIS E 226 57.320 47.817 18.184 1.00 9.71 C ATOM 1601 CE1 HIS E 226 55.530 46.639 17.663 1.00 8.48 C ATOM 1602 NE2 HIS E 226 56.318 46.989 18.668 1.00 9.08 N ATOM 1603 N VAL E 227 58.436 50.780 13.428 1.00 9.19 N ATOM 1604 CA VAL E 227 59.407 51.491 12.577 1.00 8.88 C ATOM 1605 C VAL E 227 59.002 52.975 12.385 1.00 9.09 C ATOM 1606 O VAL E 227 59.865 53.848 12.391 1.00 8.85 O ATOM 1607 CB VAL E 227 59.560 50.771 11.203 1.00 9.20 C ATOM 1608 CG1 VAL E 227 60.574 51.501 10.285 1.00 9.77 C ATOM 1609 CG2 VAL E 227 60.024 49.287 11.426 1.00 9.55 C ATOM 1610 N ALA E 228 57.715 53.260 12.205 1.00 8.24 N ATOM 1611 CA ALA E 228 57.312 54.684 12.081 1.00 8.44 C ATOM 1612 C ALA E 228 57.602 55.395 13.413 1.00 9.05 C ATOM 1613 O ALA E 228 58.076 56.525 13.427 1.00 8.62 O ATOM 1614 CB ALA E 228 55.787 54.804 11.748 1.00 9.05 C ATOM 1615 N GLY E 229 57.259 54.750 14.541 1.00 8.58 N ATOM 1616 CA GLY E 229 57.588 55.326 15.850 1.00 7.61 C ATOM 1617 C GLY E 229 59.115 55.484 16.000 1.00 9.40 C ATOM 1618 O GLY E 229 59.589 56.488 16.574 1.00 8.70 O ATOM 1619 N ALA E 230 59.893 54.523 15.525 1.00 8.66 N ATOM 1620 CA ALA E 230 61.380 54.623 15.657 1.00 9.21 C ATOM 1621 C ALA E 230 61.888 55.814 14.818 1.00 8.95 C ATOM 1622 O ALA E 230 62.774 56.567 15.253 1.00 8.71 O ATOM 1623 CB ALA E 230 62.089 53.313 15.206 1.00 9.49 C ATOM 1624 N ALA E 231 61.303 56.015 13.648 1.00 8.41 N ATOM 1625 CA ALA E 231 61.667 57.186 12.831 1.00 8.35 C ATOM 1626 C ALA E 231 61.373 58.510 13.579 1.00 8.97 C ATOM 1627 O ALA E 231 62.175 59.461 13.505 1.00 8.47 O ATOM 1628 CB ALA E 231 60.858 57.180 11.487 1.00 7.96 C ATOM 1629 N ALA E 232 60.244 58.576 14.296 1.00 9.21 N ATOM 1630 CA ALA E 232 59.945 59.745 15.121 1.00 8.35 C ATOM 1631 C ALA E 232 60.929 59.946 16.259 1.00 8.87 C ATOM 1632 O ALA E 232 61.309 61.093 16.535 1.00 9.57 O ATOM 1633 CB ALA E 232 58.435 59.707 15.645 1.00 8.12 C ATOM 1634 N LEU E 233 61.316 58.865 16.974 1.00 8.89 N ATOM 1635 CA LEU E 233 62.368 58.979 17.997 1.00 9.02 C ATOM 1636 C LEU E 233 63.641 59.559 17.395 1.00 9.82 C ATOM 1637 O LEU E 233 64.247 60.473 17.978 1.00 10.56 O ATOM 1638 CB LEU E 233 62.761 57.601 18.592 1.00 9.03 C ATOM 1639 CG LEU E 233 61.649 57.020 19.504 1.00 8.75 C ATOM 1640 CD1 LEU E 233 62.087 55.628 20.024 1.00 8.41 C ATOM 1641 CD2 LEU E 233 61.294 57.990 20.695 1.00 8.32 C ATOM 1642 N ILE E 234 64.079 58.991 16.266 1.00 9.29 N ATOM 1643 CA ILE E 234 65.327 59.447 15.626 1.00 8.74 C ATOM 1644 C ILE E 234 65.269 60.949 15.243 1.00 9.88 C ATOM 1645 O ILE E 234 66.228 61.683 15.495 1.00 10.03 O ATOM 1646 CB ILE E 234 65.632 58.566 14.369 1.00 7.84 C ATOM 1647 CG1 ILE E 234 65.947 57.123 14.821 1.00 7.30 C ATOM 1648 CG2 ILE E 234 66.818 59.201 13.514 1.00 10.56 C ATOM 1649 CD1 ILE E 234 65.879 56.053 13.617 1.00 9.21 C ATOM 1650 N LEU E 235 64.159 61.374 14.632 1.00 8.61 N ATOM 1651 CA LEU E 235 63.956 62.789 14.272 1.00 9.99 C ATOM 1652 C LEU E 235 63.898 63.703 15.511 1.00 10.82 C ATOM 1653 O LEU E 235 64.368 64.848 15.454 1.00 12.23 O ATOM 1654 CB LEU E 235 62.675 62.965 13.435 1.00 9.29 C ATOM 1655 CG LEU E 235 62.853 62.503 11.961 1.00 8.57 C ATOM 1656 CD1 LEU E 235 61.484 62.445 11.268 1.00 9.86 C ATOM 1657 CD2 LEU E 235 63.820 63.469 11.161 1.00 10.80 C ATOM 1658 N SER E 236 63.345 63.219 16.627 1.00 10.18 N ATOM 1659 CA SER E 236 63.344 64.036 17.852 1.00 10.30 C ATOM 1660 C SER E 236 64.753 64.227 18.414 1.00 10.55 C ATOM 1661 O SER E 236 65.054 65.300 18.997 1.00 12.59 O ATOM 1662 CB SER E 236 62.344 63.508 18.922 1.00 9.28 C ATOM 1663 OG SER E 236 62.806 62.327 19.592 1.00 10.32 O ATOM 1664 N LYS E 237 65.638 63.254 18.187 1.00 10.04 N ATOM 1665 CA LYS E 237 67.049 63.403 18.604 1.00 10.65 C ATOM 1666 C LYS E 237 67.888 64.180 17.545 1.00 12.19 C ATOM 1667 O LYS E 237 68.862 64.875 17.903 1.00 12.40 O ATOM 1668 CB LYS E 237 67.700 62.047 18.890 1.00 9.40 C ATOM 1669 CG LYS E 237 69.104 62.182 19.508 1.00 11.29 C ATOM 1670 CD LYS E 237 69.696 60.833 19.880 1.00 12.17 C ATOM 1671 CE LYS E 237 71.155 61.016 20.390 1.00 12.47 C ATOM 1672 NZ LYS E 237 71.803 59.671 20.634 1.00 14.47 N ATOM 1673 N HIS E 238 67.539 64.029 16.270 1.00 11.03 N ATOM 1674 CA HIS E 238 68.266 64.641 15.156 1.00 11.39 C ATOM 1675 C HIS E 238 67.258 65.387 14.239 1.00 12.16 C ATOM 1676 O HIS E 238 66.972 64.912 13.155 1.00 12.89 O ATOM 1677 CB HIS E 238 69.054 63.563 14.356 1.00 11.74 C ATOM 1678 CG HIS E 238 70.062 62.801 15.171 1.00 12.74 C ATOM 1679 ND1 HIS E 238 71.320 63.307 15.459 1.00 12.36 N ATOM 1680 CD2 HIS E 238 69.999 61.568 15.758 1.00 12.68 C ATOM 1681 CE1 HIS E 238 71.990 62.409 16.180 1.00 12.77 C ATOM 1682 NE2 HIS E 238 71.211 61.349 16.374 1.00 13.63 N ATOM 1683 N PRO E 239 66.693 66.514 14.682 1.00 13.94 N ATOM 1684 CA PRO E 239 65.593 67.168 13.937 1.00 15.25 C ATOM 1685 C PRO E 239 65.996 67.671 12.539 1.00 15.74 C ATOM 1686 O PRO E 239 65.132 67.911 11.717 1.00 16.80 O ATOM 1687 CB PRO E 239 65.178 68.368 14.817 1.00 16.67 C ATOM 1688 CG PRO E 239 65.899 68.190 16.128 1.00 18.37 C ATOM 1689 CD PRO E 239 67.034 67.222 15.936 1.00 14.07 C ATOM 1690 N ASN E 240 67.273 67.749 12.253 1.00 15.17 N ATOM 1691 CA ASN E 240 67.678 68.127 10.876 1.00 16.85 C ATOM 1692 C AASN E 240 67.926 67.004 9.919 0.50 15.64 C ATOM 1693 C BASN E 240 68.309 66.989 10.040 0.50 15.95 C ATOM 1694 O AASN E 240 68.113 67.273 8.719 0.50 15.29 O ATOM 1695 O BASN E 240 69.022 67.199 9.040 0.50 15.34 O ATOM 1696 CB AASN E 240 68.991 68.916 11.028 0.50 15.09 C ATOM 1697 CB BASN E 240 68.394 69.470 10.792 0.50 17.57 C ATOM 1698 CG AASN E 240 68.715 70.397 11.175 0.50 15.12 C ATOM 1699 CG BASN E 240 69.633 69.432 11.531 0.50 17.62 C ATOM 1700 OD1AASN E 240 67.671 70.834 10.739 0.50 14.21 O ATOM 1701 OD1BASN E 240 69.904 68.422 12.138 0.50 20.19 O ATOM 1702 ND2AASN E 240 69.605 71.154 11.822 0.50 9.83 N ATOM 1703 ND2BASN E 240 70.416 70.504 11.502 0.50 18.04 N ATOM 1704 N TRP E 241 67.982 65.765 10.436 1.00 14.66 N ATOM 1705 CA TRP E 241 68.231 64.604 9.558 1.00 13.81 C ATOM 1706 C TRP E 241 67.077 64.537 8.561 1.00 13.54 C ATOM 1707 O TRP E 241 65.921 64.761 8.922 1.00 12.96 O ATOM 1708 CB TRP E 241 68.299 63.292 10.328 1.00 12.98 C ATOM 1709 CG TRP E 241 69.658 63.018 10.972 1.00 12.17 C ATOM 1710 CD1 TRP E 241 70.758 63.897 11.070 1.00 14.18 C ATOM 1711 CD2 TRP E 241 70.076 61.805 11.615 1.00 14.65 C ATOM 1712 NE1 TRP E 241 71.793 63.275 11.735 1.00 13.29 N ATOM 1713 CE2 TRP E 241 71.413 61.995 12.069 1.00 14.40 C ATOM 1714 CE3 TRP E 241 69.445 60.582 11.896 1.00 13.37 C ATOM 1715 CZ2 TRP E 241 72.108 61.022 12.765 1.00 12.41 C ATOM 1716 CZ3 TRP E 241 70.165 59.592 12.585 1.00 11.03 C ATOM 1717 CH2 TRP E 241 71.467 59.824 13.018 1.00 14.29 C ATOM 1718 N THR E 242 67.401 64.250 7.304 1.00 12.00 N ATOM 1719 CA THR E 242 66.410 64.112 6.255 1.00 11.75 C ATOM 1720 C THR E 242 65.770 62.751 6.378 1.00 11.14 C ATOM 1721 O THR E 242 66.280 61.887 7.076 1.00 10.51 O ATOM 1722 CB THR E 242 67.105 64.157 4.856 1.00 12.42 C ATOM 1723 OG1 THR E 242 68.099 63.114 4.795 1.00 13.92 O ATOM 1724 CG2 THR E 242 67.909 65.501 4.689 1.00 13.44 C ATOM 1725 N ASN E 243 64.686 62.551 5.641 1.00 10.43 N ATOM 1726 CA ASN E 243 64.091 61.198 5.562 1.00 11.99 C ATOM 1727 C ASN E 243 65.121 60.183 5.010 1.00 11.95 C ATOM 1728 O ASN E 243 65.172 59.051 5.474 1.00 12.11 O ATOM 1729 CB ASN E 243 62.797 61.214 4.749 1.00 10.58 C ATOM 1730 CG ASN E 243 62.953 61.825 3.336 1.00 12.63 C ATOM 1731 OD1 ASN E 243 63.923 62.565 3.015 1.00 11.89 O ATOM 1732 ND2 ASN E 243 61.966 61.540 2.486 1.00 13.78 N ATOM 1733 N THR E 244 65.936 60.594 4.033 1.00 10.91 N ATOM 1734 CA THR E 244 66.998 59.721 3.492 1.00 12.21 C ATOM 1735 C THR E 244 67.904 59.213 4.609 1.00 12.58 C ATOM 1736 O THR E 244 68.218 58.027 4.667 1.00 12.43 O ATOM 1737 CB THR E 244 67.891 60.579 2.579 1.00 13.83 C ATOM 1738 OG1 THR E 244 67.055 61.233 1.624 1.00 13.10 O ATOM 1739 CG2 THR E 244 68.814 59.689 1.779 1.00 16.86 C ATOM 1740 N GLN E 245 68.302 60.142 5.492 1.00 12.19 N ATOM 1741 CA GLN E 245 69.196 59.820 6.605 1.00 12.87 C ATOM 1742 C GLN E 245 68.497 58.963 7.671 1.00 12.51 C ATOM 1743 O GLN E 245 69.116 58.045 8.224 1.00 12.23 O ATOM 1744 CB GLN E 245 69.762 61.099 7.261 1.00 12.69 C ATOM 1745 CG AGLN E 245 70.527 60.895 8.519 0.50 10.76 C ATOM 1746 CG BGLN E 245 70.754 61.888 6.423 0.50 14.30 C ATOM 1747 CD AGLN E 245 71.772 60.006 8.398 0.50 13.14 C ATOM 1748 CD BGLN E 245 71.232 63.176 7.093 0.50 15.67 C ATOM 1749 OE1AGLN E 245 72.299 59.557 9.421 0.50 13.46 O ATOM 1750 OE1BGLN E 245 70.432 63.983 7.575 0.50 14.60 O ATOM 1751 NE2AGLN E 245 72.252 59.768 7.177 0.50 11.44 N ATOM 1752 NE2BGLN E 245 72.537 63.370 7.116 0.50 17.80 N ATOM 1753 N VAL E 246 67.241 59.288 7.979 1.00 11.79 N ATOM 1754 CA VAL E 246 66.483 58.464 8.944 1.00 11.15 C ATOM 1755 C VAL E 246 66.347 57.014 8.412 1.00 10.70 C ATOM 1756 O VAL E 246 66.596 56.030 9.127 1.00 11.74 O ATOM 1757 CB VAL E 246 65.080 59.054 9.214 1.00 10.87 C ATOM 1758 CG1 VAL E 246 64.279 58.090 10.118 1.00 10.64 C ATOM 1759 CG2 VAL E 246 65.228 60.421 9.931 1.00 10.33 C ATOM 1760 N ARG E 247 66.001 56.896 7.142 1.00 10.35 N ATOM 1761 CA ARG E 247 65.870 55.568 6.526 1.00 11.28 C ATOM 1762 C ARG E 247 67.192 54.802 6.560 1.00 11.72 C ATOM 1763 O ARG E 247 67.232 53.631 6.999 1.00 11.16 O ATOM 1764 CB ARG E 247 65.329 55.701 5.081 1.00 11.86 C ATOM 1765 CG ARG E 247 65.340 54.347 4.319 1.00 12.45 C ATOM 1766 CD ARG E 247 64.466 54.395 3.079 1.00 12.80 C ATOM 1767 NE ARG E 247 64.445 53.082 2.443 1.00 14.74 N ATOM 1768 CZ ARG E 247 63.655 52.753 1.416 1.00 16.53 C ATOM 1769 NH1 ARG E 247 62.827 53.655 0.860 1.00 14.15 N ATOM 1770 NH2 ARG E 247 63.738 51.516 0.926 1.00 16.18 N ATOM 1771 N SER E 248 68.282 55.447 6.126 1.00 11.46 N ATOM 1772 CA SER E 248 69.576 54.752 6.169 1.00 12.79 C ATOM 1773 C SER E 248 69.935 54.379 7.596 1.00 12.15 C ATOM 1774 O SER E 248 70.502 53.321 7.816 1.00 11.12 O ATOM 1775 CB SER E 248 70.760 55.573 5.578 1.00 14.18 C ATOM 1776 OG ASER E 248 70.472 56.076 4.296 0.67 13.30 O ATOM 1777 OG BSER E 248 70.893 56.821 6.185 0.33 11.64 O ATOM 1778 N SER E 249 69.647 55.249 8.569 1.00 11.46 N ATOM 1779 CA SER E 249 70.066 54.948 9.923 1.00 10.70 C ATOM 1780 C SER E 249 69.370 53.687 10.428 1.00 11.00 C ATOM 1781 O SER E 249 69.984 52.894 11.130 1.00 11.80 O ATOM 1782 CB SER E 249 69.827 56.131 10.884 1.00 10.81 C ATOM 1783 OG ASER E 249 70.222 57.364 10.321 0.33 11.22 O ATOM 1784 OG BSER E 249 68.479 56.282 11.196 0.67 9.42 O ATOM 1785 N LEU E 250 68.102 53.509 10.093 1.00 10.22 N ATOM 1786 CA LEU E 250 67.390 52.264 10.507 1.00 10.68 C ATOM 1787 C LEU E 250 67.906 51.026 9.771 1.00 10.93 C ATOM 1788 O LEU E 250 68.046 49.938 10.352 1.00 11.37 O ATOM 1789 CB LEU E 250 65.880 52.420 10.218 1.00 10.51 C ATOM 1790 CG LEU E 250 65.216 53.398 11.237 1.00 11.58 C ATOM 1791 CD1 LEU E 250 63.927 54.031 10.684 1.00 11.95 C ATOM 1792 CD2 LEU E 250 64.979 52.666 12.586 1.00 10.61 C ATOM 1793 N GLU E 251 68.141 51.187 8.472 1.00 10.83 N ATOM 1794 CA GLU E 251 68.627 50.060 7.628 1.00 10.72 C ATOM 1795 C GLU E 251 70.035 49.634 8.016 1.00 11.14 C ATOM 1796 O GLU E 251 70.335 48.429 8.052 1.00 11.59 O ATOM 1797 CB GLU E 251 68.606 50.453 6.147 1.00 10.90 C ATOM 1798 CG GLU E 251 67.166 50.540 5.615 1.00 12.27 C ATOM 1799 CD GLU E 251 67.091 51.185 4.217 1.00 16.89 C ATOM 1800 OE1 GLU E 251 68.082 51.772 3.737 1.00 16.53 O ATOM 1801 OE2 GLU E 251 66.021 51.111 3.594 1.00 16.89 O ATOM 1802 N ASN E 252 70.870 50.613 8.358 1.00 10.78 N ATOM 1803 CA ASN E 252 72.302 50.371 8.570 1.00 10.77 C ATOM 1804 C ASN E 252 72.628 49.863 9.959 1.00 10.85 C ATOM 1805 O ASN E 252 73.807 49.554 10.222 1.00 9.76 O ATOM 1806 CB ASN E 252 73.123 51.664 8.290 1.00 10.91 C ATOM 1807 CG ASN E 252 73.089 52.087 6.805 1.00 10.71 C ATOM 1808 OD1 ASN E 252 73.594 53.185 6.449 1.00 14.38 O ATOM 1809 ND2 ASN E 252 72.428 51.302 5.973 1.00 7.37 N ATOM 1810 N THR E 253 71.630 49.785 10.863 1.00 9.53 N ATOM 1811 CA THR E 253 71.907 49.406 12.269 1.00 10.62 C ATOM 1812 C THR E 253 71.003 48.262 12.775 1.00 10.68 C ATOM 1813 O THR E 253 70.941 47.994 13.976 1.00 11.43 O ATOM 1814 CB THR E 253 71.719 50.609 13.235 1.00 10.76 C ATOM 1815 OG1 THR E 253 70.368 51.116 13.099 1.00 9.73 O ATOM 1816 CG2 THR E 253 72.648 51.775 12.807 1.00 10.49 C ATOM 1817 N THR E 254 70.306 47.600 11.861 1.00 10.45 N ATOM 1818 CA THR E 254 69.526 46.422 12.253 1.00 10.32 C ATOM 1819 C THR E 254 70.425 45.334 12.876 1.00 10.82 C ATOM 1820 O THR E 254 71.644 45.259 12.627 1.00 11.07 O ATOM 1821 CB THR E 254 68.879 45.742 11.034 1.00 10.41 C ATOM 1822 OG1 THR E 254 69.916 45.537 10.035 1.00 10.73 O ATOM 1823 CG2 THR E 254 67.784 46.622 10.355 1.00 8.19 C ATOM 1824 N THR E 255 69.780 44.451 13.633 1.00 10.69 N ATOM 1825 CA THR E 255 70.410 43.207 14.049 1.00 11.63 C ATOM 1826 C THR E 255 70.085 42.214 12.931 1.00 12.52 C ATOM 1827 O THR E 255 68.934 41.889 12.712 1.00 11.80 O ATOM 1828 CB THR E 255 69.804 42.774 15.361 1.00 11.35 C ATOM 1829 OG1 THR E 255 70.240 43.699 16.374 1.00 12.66 O ATOM 1830 CG2 THR E 255 70.409 41.399 15.844 1.00 12.28 C ATOM 1831 N LYS E 256 71.105 41.748 12.213 1.00 13.61 N ATOM 1832 CA LYS E 256 70.835 40.842 11.077 1.00 14.85 C ATOM 1833 C LYS E 256 70.324 39.507 11.617 1.00 15.45 C ATOM 1834 O LYS E 256 70.794 39.042 12.673 1.00 16.18 O ATOM 1835 CB LYS E 256 72.057 40.656 10.163 1.00 15.70 C ATOM 1836 CG LYS E 256 72.532 41.992 9.479 1.00 14.51 C ATOM 1837 CD LYS E 256 72.144 42.043 7.982 1.00 18.22 C ATOM 1838 CE LYS E 256 72.360 43.467 7.432 1.00 18.37 C ATOM 1839 NZ LYS E 256 72.640 43.560 5.913 1.00 14.15 N ATOM 1840 N LEU E 257 69.352 38.951 10.899 1.00 15.68 N ATOM 1841 CA LEU E 257 68.673 37.718 11.292 1.00 18.68 C ATOM 1842 C LEU E 257 69.018 36.720 10.163 1.00 21.24 C ATOM 1843 O LEU E 257 70.191 36.525 9.875 1.00 24.23 O ATOM 1844 CB LEU E 257 67.156 37.945 11.521 1.00 16.66 C ATOM 1845 CG LEU E 257 66.869 38.975 12.653 1.00 17.10 C ATOM 1846 CD1 LEU E 257 65.372 39.283 12.881 1.00 14.22 C ATOM 1847 CD2 LEU E 257 67.591 38.642 13.977 1.00 18.23 C ATOM 1848 N GLY E 258 68.065 36.134 9.490 1.00 23.55 N ATOM 1849 CA GLY E 258 68.420 35.201 8.411 1.00 24.04 C ATOM 1850 C GLY E 258 68.623 35.798 7.028 1.00 24.18 C ATOM 1851 O GLY E 258 68.943 36.993 6.845 1.00 23.52 O ATOM 1852 N ASP E 259 68.375 34.964 6.017 1.00 23.29 N ATOM 1853 CA ASP E 259 68.433 35.424 4.642 1.00 22.45 C ATOM 1854 C ASP E 259 67.545 36.632 4.376 1.00 21.18 C ATOM 1855 O ASP E 259 66.411 36.657 4.836 1.00 19.78 O ATOM 1856 CB ASP E 259 67.992 34.306 3.712 1.00 23.97 C ATOM 1857 CG ASP E 259 68.313 34.629 2.293 1.00 29.30 C ATOM 1858 OD1 ASP E 259 69.458 34.286 1.882 1.00 40.54 O ATOM 1859 OD2 ASP E 259 67.554 35.257 1.533 1.00 29.83 O ATOM 1860 N SER E 260 68.035 37.593 3.600 1.00 19.03 N ATOM 1861 CA SER E 260 67.317 38.844 3.342 1.00 20.10 C ATOM 1862 C SER E 260 65.992 38.679 2.587 1.00 19.11 C ATOM 1863 O SER E 260 65.112 39.512 2.675 1.00 17.48 O ATOM 1864 CB SER E 260 68.225 39.861 2.637 1.00 20.14 C ATOM 1865 OG SER E 260 68.628 39.351 1.386 1.00 24.03 O ATOM 1866 N PHE E 261 65.824 37.555 1.882 1.00 19.01 N ATOM 1867 CA PHE E 261 64.565 37.281 1.220 1.00 18.06 C ATOM 1868 C PHE E 261 63.438 37.122 2.265 1.00 17.54 C ATOM 1869 O PHE E 261 62.299 37.482 2.018 1.00 17.37 O ATOM 1870 CB PHE E 261 64.711 35.987 0.404 1.00 19.08 C ATOM 1871 CG PHE E 261 63.532 35.664 -0.436 1.00 18.44 C ATOM 1872 CD1 PHE E 261 63.438 36.166 -1.734 1.00 20.85 C ATOM 1873 CD2 PHE E 261 62.519 34.809 0.056 1.00 21.06 C ATOM 1874 CE1 PHE E 261 62.318 35.868 -2.528 1.00 22.03 C ATOM 1875 CE2 PHE E 261 61.391 34.498 -0.753 1.00 22.12 C ATOM 1876 CZ PHE E 261 61.311 35.038 -2.036 1.00 20.28 C ATOM 1877 N TYR E 262 63.789 36.573 3.428 1.00 16.82 N ATOM 1878 CA TYR E 262 62.800 36.310 4.488 1.00 17.56 C ATOM 1879 C TYR E 262 62.843 37.355 5.607 1.00 16.13 C ATOM 1880 O TYR E 262 61.851 37.522 6.298 1.00 15.63 O ATOM 1881 CB TYR E 262 63.039 34.952 5.138 1.00 17.78 C ATOM 1882 CG TYR E 262 62.905 33.831 4.121 1.00 22.41 C ATOM 1883 CD1 TYR E 262 61.641 33.365 3.719 1.00 24.69 C ATOM 1884 CD2 TYR E 262 64.047 33.274 3.524 1.00 25.59 C ATOM 1885 CE1 TYR E 262 61.520 32.335 2.730 1.00 27.11 C ATOM 1886 CE2 TYR E 262 63.932 32.252 2.528 1.00 29.35 C ATOM 1887 CZ TYR E 262 62.676 31.804 2.150 1.00 29.13 C ATOM 1888 OH TYR E 262 62.574 30.813 1.194 1.00 30.70 O ATOM 1889 N TYR E 263 64.015 37.953 5.811 1.00 14.88 N ATOM 1890 CA TYR E 263 64.226 38.861 6.951 1.00 15.02 C ATOM 1891 C TYR E 263 64.628 40.304 6.588 1.00 15.02 C ATOM 1892 O TYR E 263 64.850 41.100 7.494 1.00 15.13 O ATOM 1893 CB TYR E 263 65.282 38.266 7.905 1.00 13.59 C ATOM 1894 CG TYR E 263 64.777 37.089 8.712 1.00 15.35 C ATOM 1895 CD1 TYR E 263 64.137 37.287 9.952 1.00 15.87 C ATOM 1896 CD2 TYR E 263 64.933 35.776 8.248 1.00 18.45 C ATOM 1897 CE1 TYR E 263 63.667 36.185 10.724 1.00 15.18 C ATOM 1898 CE2 TYR E 263 64.477 34.672 9.000 1.00 17.96 C ATOM 1899 CZ TYR E 263 63.853 34.878 10.229 1.00 16.30 C ATOM 1900 OH TYR E 263 63.358 33.812 10.965 1.00 18.98 O ATOM 1901 N GLY E 264 64.729 40.630 5.299 1.00 15.39 N ATOM 1902 CA GLY E 264 65.354 41.886 4.866 1.00 15.35 C ATOM 1903 C GLY E 264 66.688 42.071 5.603 1.00 15.43 C ATOM 1904 O GLY E 264 67.492 41.113 5.771 1.00 15.90 O ATOM 1905 N LYS E 265 66.944 43.300 6.043 1.00 14.14 N ATOM 1906 CA LYS E 265 68.159 43.613 6.834 1.00 14.21 C ATOM 1907 C LYS E 265 68.148 43.165 8.311 1.00 13.26 C ATOM 1908 O LYS E 265 69.165 43.274 9.007 1.00 13.44 O ATOM 1909 CB LYS E 265 68.469 45.118 6.707 1.00 13.88 C ATOM 1910 CG LYS E 265 68.686 45.450 5.175 1.00 16.78 C ATOM 1911 CD LYS E 265 68.765 46.919 4.918 1.00 16.59 C ATOM 1912 CE LYS E 265 68.916 47.191 3.371 1.00 20.07 C ATOM 1913 NZ LYS E 265 67.683 46.870 2.514 1.00 22.24 N ATOM 1914 N GLY E 266 67.016 42.652 8.780 1.00 12.94 N ATOM 1915 CA GLY E 266 66.941 42.172 10.153 1.00 12.24 C ATOM 1916 C GLY E 266 66.084 43.109 11.030 1.00 11.51 C ATOM 1917 O GLY E 266 65.342 43.950 10.524 1.00 11.67 O ATOM 1918 N LEU E 267 66.222 42.950 12.333 1.00 10.95 N ATOM 1919 CA LEU E 267 65.386 43.674 13.308 1.00 10.30 C ATOM 1920 C LEU E 267 65.890 45.089 13.544 1.00 9.88 C ATOM 1921 O LEU E 267 67.075 45.245 13.813 1.00 9.81 O ATOM 1922 CB LEU E 267 65.502 42.944 14.663 1.00 10.61 C ATOM 1923 CG LEU E 267 64.793 43.617 15.865 1.00 11.03 C ATOM 1924 CD1 LEU E 267 63.276 43.578 15.701 1.00 11.64 C ATOM 1925 CD2 LEU E 267 65.200 42.788 17.117 1.00 12.93 C ATOM 1926 N ILE E 268 65.016 46.112 13.481 1.00 10.09 N ATOM 1927 CA ILE E 268 65.490 47.449 13.789 1.00 10.51 C ATOM 1928 C ILE E 268 65.982 47.575 15.217 1.00 11.00 C ATOM 1929 O ILE E 268 65.490 46.900 16.155 1.00 10.50 O ATOM 1930 CB ILE E 268 64.404 48.519 13.477 1.00 9.60 C ATOM 1931 CG1 ILE E 268 63.130 48.306 14.317 1.00 9.58 C ATOM 1932 CG2 ILE E 268 64.072 48.518 11.953 1.00 10.52 C ATOM 1933 CD1 ILE E 268 62.363 49.694 14.602 1.00 8.78 C ATOM 1934 N ASN E 269 66.922 48.510 15.397 1.00 11.10 N ATOM 1935 CA ASN E 269 67.503 48.802 16.679 1.00 10.42 C ATOM 1936 C ASN E 269 67.570 50.342 16.714 1.00 11.07 C ATOM 1937 O ASN E 269 68.471 50.916 16.125 1.00 10.20 O ATOM 1938 CB ASN E 269 68.914 48.156 16.770 1.00 10.82 C ATOM 1939 CG ASN E 269 69.690 48.590 18.017 1.00 11.02 C ATOM 1940 OD1 ASN E 269 69.277 49.523 18.727 1.00 13.09 O ATOM 1941 ND2 ASN E 269 70.813 47.899 18.303 1.00 12.47 N ATOM 1942 N VAL E 270 66.609 50.996 17.364 1.00 10.20 N ATOM 1943 CA VAL E 270 66.556 52.477 17.268 1.00 10.19 C ATOM 1944 C VAL E 270 67.692 53.137 18.128 1.00 11.32 C ATOM 1945 O VAL E 270 68.129 54.240 17.823 1.00 11.29 O ATOM 1946 CB VAL E 270 65.148 52.997 17.614 1.00 11.57 C ATOM 1947 CG1 VAL E 270 64.800 52.751 19.053 1.00 11.02 C ATOM 1948 CG2 VAL E 270 64.980 54.505 17.267 1.00 9.89 C ATOM 1949 N GLN E 271 68.164 52.452 19.174 1.00 9.50 N ATOM 1950 CA GLN E 271 69.305 52.939 19.939 1.00 10.88 C ATOM 1951 C GLN E 271 70.520 53.136 19.022 1.00 11.28 C ATOM 1952 O GLN E 271 71.142 54.213 19.020 1.00 11.79 O ATOM 1953 CB GLN E 271 69.672 51.965 21.058 1.00 11.09 C ATOM 1954 CG GLN E 271 70.902 52.480 21.909 1.00 13.52 C ATOM 1955 CD GLN E 271 71.258 51.494 23.010 1.00 16.57 C ATOM 1956 OE1 GLN E 271 71.031 50.302 22.840 1.00 17.60 O ATOM 1957 NE2 GLN E 271 71.752 51.991 24.150 1.00 15.38 N ATOM 1958 N ALA E 272 70.872 52.083 18.283 1.00 10.83 N ATOM 1959 CA ALA E 272 71.988 52.161 17.310 1.00 11.66 C ATOM 1960 C ALA E 272 71.693 53.157 16.167 1.00 11.70 C ATOM 1961 O ALA E 272 72.589 53.926 15.767 1.00 11.17 O ATOM 1962 CB ALA E 272 72.313 50.790 16.740 1.00 10.33 C ATOM 1963 N ALA E 273 70.451 53.161 15.669 1.00 11.19 N ATOM 1964 CA ALA E 273 70.072 54.079 14.589 1.00 10.86 C ATOM 1965 C ALA E 273 70.302 55.552 14.965 1.00 11.95 C ATOM 1966 O ALA E 273 70.716 56.382 14.123 1.00 11.44 O ATOM 1967 CB ALA E 273 68.615 53.866 14.202 1.00 10.58 C ATOM 1968 N ALA E 274 70.038 55.866 16.236 1.00 11.83 N ATOM 1969 CA ALA E 274 70.052 57.272 16.641 1.00 12.51 C ATOM 1970 C ALA E 274 71.438 57.746 17.103 1.00 12.95 C ATOM 1971 O ALA E 274 71.560 58.867 17.605 1.00 12.55 O ATOM 1972 CB ALA E 274 68.955 57.511 17.720 1.00 10.98 C ATOM 1973 N GLN E 275 72.482 56.908 16.949 1.00 13.42 N ATOM 1974 CA GLN E 275 73.859 57.352 17.203 1.00 14.23 C ATOM 1975 C GLN E 275 74.377 58.017 15.945 1.00 14.14 C ATOM 1976 O GLN E 275 73.759 57.863 14.892 1.00 13.99 O ATOM 1977 CB GLN E 275 74.755 56.150 17.551 1.00 14.63 C ATOM 1978 CG GLN E 275 74.457 55.552 18.985 1.00 19.78 C ATOM 1979 CD GLN E 275 74.564 56.616 20.104 1.00 26.70 C ATOM 1980 OE1 GLN E 275 73.562 57.255 20.521 1.00 32.76 O ATOM 1981 NE2 GLN E 275 75.775 56.841 20.555 1.00 32.34 N ATOM 1982 N AHIS E 276 75.501 58.731 15.995 0.50 14.18 N ATOM 1983 N BHIS E 276 75.523 58.717 16.086 0.50 14.32 N ATOM 1984 CA AHIS E 276 75.990 59.326 14.742 0.50 14.58 C ATOM 1985 CA BHIS E 276 76.235 59.402 14.988 0.50 15.36 C ATOM 1986 C AHIS E 276 76.625 58.263 13.831 0.50 15.95 C ATOM 1987 C BHIS E 276 76.714 58.395 13.936 0.50 16.32 C ATOM 1988 O AHIS E 276 76.420 58.269 12.619 0.50 17.11 O ATOM 1989 O BHIS E 276 76.489 58.582 12.738 0.50 17.39 O ATOM 1990 CB AHIS E 276 76.957 60.473 15.012 0.50 14.46 C ATOM 1991 CB BHIS E 276 77.475 60.181 15.517 0.50 14.68 C ATOM 1992 CG AHIS E 276 76.266 61.759 15.324 0.50 11.85 C ATOM 1993 CG BHIS E 276 77.156 61.218 16.552 0.50 15.39 C ATOM 1994 ND1AHIS E 276 76.332 62.357 16.563 0.50 11.07 N ATOM 1995 ND1BHIS E 276 76.230 62.215 16.343 0.50 15.35 N ATOM 1996 CD2AHIS E 276 75.486 62.559 14.559 0.50 11.97 C ATOM 1997 CD2BHIS E 276 77.638 61.412 17.806 0.50 15.73 C ATOM 1998 CE1AHIS E 276 75.616 63.469 16.551 0.50 10.09 C ATOM 1999 CE1BHIS E 276 76.151 62.980 17.419 0.50 15.49 C ATOM 2000 NE2AHIS E 276 75.089 63.613 15.347 0.50 9.68 N ATOM 2001 NE2BHIS E 276 76.971 62.498 18.334 0.50 16.44 N ATOM 2002 N HIS E 277 77.378 57.349 14.417 1.00 15.95 N ATOM 2003 CA HIS E 277 78.019 56.305 13.604 1.00 18.04 C ATOM 2004 C HIS E 277 77.239 55.000 13.670 1.00 16.10 C ATOM 2005 O HIS E 277 76.791 54.573 14.764 1.00 16.35 O ATOM 2006 CB HIS E 277 79.479 56.156 14.043 1.00 21.22 C ATOM 2007 CG HIS E 277 80.246 57.441 13.869 1.00 28.63 C ATOM 2008 ND1 HIS E 277 80.791 58.136 14.929 1.00 34.50 N ATOM 2009 CD2 HIS E 277 80.419 58.227 12.776 1.00 34.15 C ATOM 2010 CE1 HIS E 277 81.343 59.252 14.481 1.00 34.51 C ATOM 2011 NE2 HIS E 277 81.116 59.342 13.182 1.00 36.18 N ATOM 2012 N HIS E 278 77.014 54.424 12.499 1.00 15.00 N ATOM 2013 CA HIS E 278 76.072 53.301 12.353 1.00 14.50 C ATOM 2014 C HIS E 278 76.780 52.018 11.972 1.00 13.93 C ATOM 2015 O HIS E 278 77.626 52.011 11.087 1.00 14.44 O ATOM 2016 CB HIS E 278 75.008 53.602 11.310 1.00 14.34 C ATOM 2017 CG HIS E 278 74.200 54.833 11.629 1.00 16.48 C ATOM 2018 ND1 HIS E 278 73.915 55.807 10.696 1.00 15.97 N ATOM 2019 CD2 HIS E 278 73.632 55.239 12.789 1.00 16.04 C ATOM 2020 CE1 HIS E 278 73.210 56.771 11.273 1.00 16.92 C ATOM 2021 NE2 HIS E 278 73.025 56.448 12.542 1.00 15.21 N ATOM 2022 N HIS E 279 76.420 50.944 12.633 1.00 14.03 N ATOM 2023 CA HIS E 279 76.797 49.598 12.171 1.00 13.66 C ATOM 2024 C HIS E 279 75.780 48.610 12.743 1.00 12.95 C ATOM 2025 O HIS E 279 75.025 48.956 13.670 1.00 11.99 O ATOM 2026 CB HIS E 279 78.203 49.240 12.644 1.00 15.30 C ATOM 2027 CG HIS E 279 78.398 49.376 14.119 1.00 20.31 C ATOM 2028 ND1 HIS E 279 78.939 50.508 14.693 1.00 26.75 N ATOM 2029 CD2 HIS E 279 78.150 48.520 15.139 1.00 27.03 C ATOM 2030 CE1 HIS E 279 78.998 50.349 16.008 1.00 29.06 C ATOM 2031 NE2 HIS E 279 78.543 49.143 16.303 1.00 28.03 N ATOM 2032 N HIS E 280 75.799 47.399 12.213 1.00 11.97 N ATOM 2033 CA HIS E 280 74.863 46.360 12.623 1.00 12.92 C ATOM 2034 C HIS E 280 75.334 45.744 13.950 1.00 14.48 C ATOM 2035 O HIS E 280 76.538 45.657 14.207 1.00 13.38 O ATOM 2036 CB HIS E 280 74.821 45.288 11.541 1.00 12.03 C ATOM 2037 CG HIS E 280 74.239 45.774 10.249 1.00 13.12 C ATOM 2038 ND1 HIS E 280 72.891 46.043 10.105 1.00 10.39 N ATOM 2039 CD2 HIS E 280 74.817 46.055 9.053 1.00 14.05 C ATOM 2040 CE1 HIS E 280 72.659 46.473 8.872 1.00 10.99 C ATOM 2041 NE2 HIS E 280 73.808 46.469 8.205 1.00 11.52 N ATOM 2042 N HIS E 281 74.381 45.310 14.784 1.00 16.37 N ATOM 2043 CA HIS E 281 74.727 44.474 15.946 1.00 18.90 C ATOM 2044 C HIS E 281 74.220 43.078 15.784 1.00 20.64 C ATOM 2045 O HIS E 281 74.355 42.389 16.801 1.00 24.15 O ATOM 2046 CB HIS E 281 74.244 45.087 17.276 1.00 19.43 C ATOM 2047 CG HIS E 281 74.749 46.466 17.499 1.00 21.50 C ATOM 2048 ND1 HIS E 281 75.593 46.789 18.536 1.00 25.82 N ATOM 2049 CD2 HIS E 281 74.543 47.614 16.804 1.00 22.12 C ATOM 2050 CE1 HIS E 281 75.873 48.080 18.483 1.00 27.09 C ATOM 2051 NE2 HIS E 281 75.282 48.594 17.418 1.00 24.66 N ATOM 2052 OXT HIS E 281 73.747 42.626 14.720 1.00 20.02 O TER 2053 HIS E 281 ATOM 2054 N MET I 20 45.978 21.678 8.089 1.00 44.17 N ATOM 2055 CA MET I 20 44.758 22.528 7.967 1.00 43.85 C ATOM 2056 C MET I 20 44.682 23.194 6.590 1.00 41.70 C ATOM 2057 O MET I 20 45.687 23.750 6.107 1.00 42.06 O ATOM 2058 CB MET I 20 44.748 23.612 9.064 1.00 45.04 C ATOM 2059 CG MET I 20 43.359 23.935 9.608 1.00 47.23 C ATOM 2060 SD AMET I 20 43.398 24.446 11.350 0.50 49.87 S ATOM 2061 SD BMET I 20 42.186 22.545 9.423 0.50 49.36 S ATOM 2062 CE AMET I 20 44.584 23.231 12.078 0.50 48.01 C ATOM 2063 CE BMET I 20 41.255 23.004 7.932 0.50 48.79 C ATOM 2064 N LYS I 21 43.508 23.123 5.954 1.00 39.16 N ATOM 2065 CA LYS I 21 43.292 23.857 4.700 1.00 35.83 C ATOM 2066 C LYS I 21 43.198 25.334 5.026 1.00 32.98 C ATOM 2067 O LYS I 21 42.301 25.727 5.757 1.00 32.95 O ATOM 2068 CB LYS I 21 42.009 23.413 4.006 1.00 36.42 C ATOM 2069 CG LYS I 21 41.898 24.006 2.608 1.00 35.22 C ATOM 2070 CD LYS I 21 41.202 23.103 1.647 1.00 35.33 C ATOM 2071 CE LYS I 21 41.349 23.643 0.246 1.00 34.54 C ATOM 2072 NZ LYS I 21 40.498 22.878 -0.682 1.00 39.73 N ATOM 2073 N THR I 22 44.115 26.145 4.502 1.00 29.74 N ATOM 2074 CA THR I 22 44.059 27.596 4.737 1.00 27.37 C ATOM 2075 C THR I 22 44.037 28.481 3.478 1.00 24.99 C ATOM 2076 O THR I 22 44.091 29.715 3.589 1.00 23.06 O ATOM 2077 CB THR I 22 45.228 28.052 5.629 1.00 27.71 C ATOM 2078 OG1 THR I 22 46.454 27.722 4.985 1.00 28.96 O ATOM 2079 CG2 THR I 22 45.274 27.242 6.947 1.00 31.01 C ATOM 2080 N GLU I 23 44.024 27.875 2.286 1.00 22.58 N ATOM 2081 CA GLU I 23 43.874 28.649 1.039 1.00 21.39 C ATOM 2082 C GLU I 23 43.024 27.820 0.085 1.00 18.95 C ATOM 2083 O GLU I 23 43.048 26.571 0.157 1.00 18.68 O ATOM 2084 CB GLU I 23 45.214 28.956 0.360 1.00 23.26 C ATOM 2085 CG GLU I 23 46.360 29.162 1.328 1.00 29.74 C ATOM 2086 CD GLU I 23 47.459 30.056 0.767 1.00 37.05 C ATOM 2087 OE1 GLU I 23 48.147 30.702 1.609 1.00 37.52 O ATOM 2088 OE2 GLU I 23 47.646 30.096 -0.494 1.00 37.61 O ATOM 2089 N TRP I 24 42.294 28.503 -0.792 1.00 16.60 N ATOM 2090 CA TRP I 24 41.297 27.833 -1.680 1.00 16.37 C ATOM 2091 C TRP I 24 41.499 28.314 -3.116 1.00 16.07 C ATOM 2092 O TRP I 24 40.620 28.986 -3.682 1.00 15.45 O ATOM 2093 CB TRP I 24 39.851 28.142 -1.206 1.00 16.26 C ATOM 2094 CG TRP I 24 39.459 27.519 0.118 1.00 17.46 C ATOM 2095 CD1 TRP I 24 38.730 26.373 0.312 1.00 18.78 C ATOM 2096 CD2 TRP I 24 39.733 28.032 1.435 1.00 17.97 C ATOM 2097 NE1 TRP I 24 38.555 26.124 1.660 1.00 17.82 N ATOM 2098 CE2 TRP I 24 39.148 27.129 2.374 1.00 18.15 C ATOM 2099 CE3 TRP I 24 40.374 29.183 1.918 1.00 16.45 C ATOM 2100 CZ2 TRP I 24 39.221 27.323 3.765 1.00 19.04 C ATOM 2101 CZ3 TRP I 24 40.460 29.378 3.324 1.00 17.53 C ATOM 2102 CH2 TRP I 24 39.881 28.447 4.219 1.00 19.49 C ATOM 2103 N PRO I 25 42.647 27.997 -3.749 1.00 17.33 N ATOM 2104 CA PRO I 25 42.894 28.485 -5.120 1.00 17.21 C ATOM 2105 C PRO I 25 41.862 27.954 -6.149 1.00 18.21 C ATOM 2106 O PRO I 25 41.631 28.641 -7.154 1.00 18.47 O ATOM 2107 CB PRO I 25 44.334 28.007 -5.432 1.00 17.99 C ATOM 2108 CG PRO I 25 44.524 26.798 -4.521 1.00 18.53 C ATOM 2109 CD PRO I 25 43.760 27.160 -3.236 1.00 18.19 C ATOM 2110 N GLU I 26 41.235 26.810 -5.862 1.00 17.23 N ATOM 2111 CA GLU I 26 40.230 26.222 -6.726 1.00 18.55 C ATOM 2112 C GLU I 26 38.932 27.088 -6.780 1.00 17.99 C ATOM 2113 O GLU I 26 38.066 26.884 -7.657 1.00 17.08 O ATOM 2114 CB GLU I 26 39.939 24.766 -6.263 1.00 19.59 C ATOM 2115 CG GLU I 26 39.189 24.648 -4.927 1.00 22.29 C ATOM 2116 CD GLU I 26 40.089 24.740 -3.663 1.00 26.45 C ATOM 2117 OE1 GLU I 26 41.301 25.051 -3.750 1.00 24.99 O ATOM 2118 OE2 GLU I 26 39.573 24.477 -2.567 1.00 29.82 O ATOM 2119 N LEU I 27 38.807 28.069 -5.873 1.00 15.32 N ATOM 2120 CA LEU I 27 37.597 28.903 -5.865 1.00 15.20 C ATOM 2121 C LEU I 27 37.694 30.131 -6.776 1.00 15.25 C ATOM 2122 O LEU I 27 36.699 30.823 -6.979 1.00 16.05 O ATOM 2123 CB LEU I 27 37.248 29.327 -4.435 1.00 14.05 C ATOM 2124 CG LEU I 27 36.738 28.191 -3.534 1.00 17.32 C ATOM 2125 CD1 LEU I 27 36.505 28.782 -2.094 1.00 16.50 C ATOM 2126 CD2 LEU I 27 35.443 27.505 -4.058 1.00 17.76 C ATOM 2127 N VAL I 28 38.888 30.437 -7.304 1.00 14.96 N ATOM 2128 CA VAL I 28 39.013 31.629 -8.143 1.00 14.21 C ATOM 2129 C VAL I 28 38.127 31.419 -9.380 1.00 14.78 C ATOM 2130 O VAL I 28 38.122 30.316 -9.934 1.00 14.87 O ATOM 2131 CB VAL I 28 40.470 31.855 -8.583 1.00 13.93 C ATOM 2132 CG1 VAL I 28 40.548 32.997 -9.616 1.00 17.19 C ATOM 2133 CG2 VAL I 28 41.325 32.176 -7.330 1.00 15.38 C ATOM 2134 N GLY I 29 37.357 32.441 -9.763 1.00 14.85 N ATOM 2135 CA GLY I 29 36.425 32.346 -10.895 1.00 15.87 C ATOM 2136 C GLY I 29 35.024 31.758 -10.592 1.00 16.43 C ATOM 2137 O GLY I 29 34.146 31.759 -11.469 1.00 16.80 O ATOM 2138 N LYS I 30 34.813 31.248 -9.385 1.00 14.87 N ATOM 2139 CA LYS I 30 33.494 30.774 -8.946 1.00 13.97 C ATOM 2140 C LYS I 30 32.726 31.928 -8.393 1.00 13.99 C ATOM 2141 O LYS I 30 33.309 32.956 -8.045 1.00 13.60 O ATOM 2142 CB LYS I 30 33.619 29.723 -7.835 1.00 13.42 C ATOM 2143 CG LYS I 30 34.453 28.507 -8.197 1.00 18.42 C ATOM 2144 CD LYS I 30 33.910 27.724 -9.306 1.00 25.41 C ATOM 2145 CE LYS I 30 34.707 26.363 -9.397 1.00 31.26 C ATOM 2146 NZ LYS I 30 33.911 25.232 -8.787 1.00 37.20 N ATOM 2147 N SER I 31 31.427 31.730 -8.218 1.00 12.90 N ATOM 2148 CA SER I 31 30.550 32.728 -7.580 1.00 12.22 C ATOM 2149 C SER I 31 30.952 32.916 -6.124 1.00 11.95 C ATOM 2150 O SER I 31 31.447 31.992 -5.462 1.00 11.44 O ATOM 2151 CB SER I 31 29.085 32.284 -7.589 1.00 11.53 C ATOM 2152 OG SER I 31 28.901 31.090 -6.815 1.00 10.34 O ATOM 2153 N VAL I 32 30.692 34.121 -5.624 1.00 10.25 N ATOM 2154 CA VAL I 32 30.942 34.391 -4.195 1.00 10.78 C ATOM 2155 C VAL I 32 30.066 33.425 -3.354 1.00 11.44 C ATOM 2156 O VAL I 32 30.485 33.027 -2.284 1.00 10.75 O ATOM 2157 CB VAL I 32 30.680 35.911 -3.857 1.00 11.27 C ATOM 2158 CG1 VAL I 32 29.142 36.260 -3.961 1.00 12.66 C ATOM 2159 CG2 VAL I 32 31.224 36.266 -2.447 1.00 10.88 C ATOM 2160 N GLU I 33 28.853 33.064 -3.844 1.00 10.11 N ATOM 2161 CA GLU I 33 27.967 32.135 -3.088 1.00 11.67 C ATOM 2162 C GLU I 33 28.617 30.778 -2.916 1.00 12.11 C ATOM 2163 O GLU I 33 28.641 30.209 -1.805 1.00 12.02 O ATOM 2164 CB GLU I 33 26.596 31.974 -3.803 1.00 11.09 C ATOM 2165 CG GLU I 33 25.726 33.246 -3.759 1.00 13.14 C ATOM 2166 CD GLU I 33 26.008 34.277 -4.864 1.00 14.64 C ATOM 2167 OE1 GLU I 33 26.903 34.094 -5.744 1.00 11.42 O ATOM 2168 OE2 GLU I 33 25.326 35.325 -4.861 1.00 14.82 O ATOM 2169 N GLU I 34 29.151 30.230 -4.013 1.00 12.12 N ATOM 2170 CA GLU I 34 29.776 28.909 -3.892 1.00 12.69 C ATOM 2171 C GLU I 34 31.023 28.970 -3.015 1.00 12.38 C ATOM 2172 O GLU I 34 31.280 28.078 -2.186 1.00 11.61 O ATOM 2173 CB GLU I 34 30.119 28.332 -5.276 1.00 14.28 C ATOM 2174 CG GLU I 34 30.741 26.945 -5.155 1.00 16.26 C ATOM 2175 CD GLU I 34 31.011 26.296 -6.508 1.00 22.88 C ATOM 2176 OE1 GLU I 34 30.405 26.706 -7.531 1.00 18.84 O ATOM 2177 OE2 GLU I 34 31.830 25.360 -6.512 1.00 25.19 O ATOM 2178 N ALA I 35 31.811 30.044 -3.185 1.00 12.10 N ATOM 2179 CA ALA I 35 32.980 30.184 -2.311 1.00 12.81 C ATOM 2180 C ALA I 35 32.596 30.199 -0.830 1.00 12.54 C ATOM 2181 O ALA I 35 33.268 29.541 -0.032 1.00 13.58 O ATOM 2182 CB ALA I 35 33.790 31.462 -2.696 1.00 12.60 C ATOM 2183 N LYS I 36 31.552 30.963 -0.434 1.00 13.65 N ATOM 2184 CA LYS I 36 31.130 31.015 0.990 1.00 12.87 C ATOM 2185 C LYS I 36 30.755 29.612 1.476 1.00 13.00 C ATOM 2186 O LYS I 36 31.158 29.180 2.549 1.00 11.41 O ATOM 2187 CB LYS I 36 29.911 31.912 1.209 1.00 13.86 C ATOM 2188 CG LYS I 36 30.212 33.431 1.049 1.00 20.67 C ATOM 2189 CD LYS I 36 28.877 34.226 1.270 1.00 23.66 C ATOM 2190 CE LYS I 36 29.082 35.721 1.301 1.00 33.08 C ATOM 2191 NZ LYS I 36 27.811 36.533 1.485 1.00 34.14 N ATOM 2192 N LYS I 37 30.000 28.892 0.659 1.00 11.54 N ATOM 2193 CA LYS I 37 29.544 27.541 1.061 1.00 12.13 C ATOM 2194 C LYS I 37 30.713 26.601 1.286 1.00 11.41 C ATOM 2195 O LYS I 37 30.770 25.858 2.272 1.00 12.14 O ATOM 2196 CB LYS I 37 28.633 26.962 -0.035 1.00 12.37 C ATOM 2197 CG LYS I 37 28.097 25.578 0.385 1.00 16.34 C ATOM 2198 CD LYS I 37 27.210 24.992 -0.693 1.00 21.16 C ATOM 2199 CE LYS I 37 26.603 23.699 -0.149 1.00 27.55 C ATOM 2200 NZ LYS I 37 25.385 23.223 -0.927 1.00 30.80 N ATOM 2201 N VAL I 38 31.660 26.608 0.358 1.00 12.25 N ATOM 2202 CA VAL I 38 32.799 25.710 0.439 1.00 12.58 C ATOM 2203 C VAL I 38 33.700 26.079 1.630 1.00 12.76 C ATOM 2204 O VAL I 38 34.125 25.195 2.407 1.00 13.57 O ATOM 2205 CB VAL I 38 33.634 25.768 -0.871 1.00 13.53 C ATOM 2206 CG1 VAL I 38 35.031 25.059 -0.683 1.00 14.94 C ATOM 2207 CG2 VAL I 38 32.861 25.044 -2.032 1.00 13.00 C ATOM 2208 N ILE I 39 33.987 27.369 1.776 1.00 12.27 N ATOM 2209 CA ILE I 39 34.801 27.776 2.902 1.00 13.85 C ATOM 2210 C ILE I 39 34.158 27.387 4.247 1.00 12.54 C ATOM 2211 O ILE I 39 34.860 26.903 5.183 1.00 14.13 O ATOM 2212 CB ILE I 39 35.154 29.293 2.819 1.00 14.65 C ATOM 2213 CG1 ILE I 39 36.203 29.530 1.694 1.00 15.19 C ATOM 2214 CG2 ILE I 39 35.764 29.752 4.190 1.00 14.56 C ATOM 2215 CD1 ILE I 39 36.118 30.972 1.099 1.00 16.74 C ATOM 2216 N LEU I 40 32.851 27.609 4.383 1.00 12.56 N ATOM 2217 CA LEU I 40 32.154 27.211 5.633 1.00 12.77 C ATOM 2218 C LEU I 40 32.080 25.704 5.904 1.00 13.78 C ATOM 2219 O LEU I 40 31.926 25.292 7.067 1.00 14.64 O ATOM 2220 CB LEU I 40 30.771 27.904 5.765 1.00 12.66 C ATOM 2221 CG LEU I 40 30.894 29.459 5.858 1.00 13.93 C ATOM 2222 CD1 LEU I 40 29.557 30.065 5.603 1.00 17.80 C ATOM 2223 CD2 LEU I 40 31.440 29.856 7.275 1.00 15.14 C ATOM 2224 N GLN I 41 32.202 24.867 4.863 1.00 12.91 N ATOM 2225 CA GLN I 41 32.337 23.415 5.067 1.00 12.69 C ATOM 2226 C GLN I 41 33.705 23.107 5.645 1.00 13.75 C ATOM 2227 O GLN I 41 33.827 22.286 6.569 1.00 13.70 O ATOM 2228 CB GLN I 41 32.199 22.663 3.744 1.00 12.55 C ATOM 2229 CG GLN I 41 30.783 22.748 3.222 1.00 13.67 C ATOM 2230 CD GLN I 41 30.515 21.877 1.999 1.00 18.91 C ATOM 2231 OE1 GLN I 41 29.347 21.586 1.688 1.00 18.03 O ATOM 2232 NE2 GLN I 41 31.576 21.503 1.279 1.00 19.97 N ATOM 2233 N ASP I 42 34.742 23.769 5.116 1.00 13.98 N ATOM 2234 CA ASP I 42 36.094 23.472 5.612 1.00 14.33 C ATOM 2235 C ASP I 42 36.385 24.121 6.935 1.00 15.86 C ATOM 2236 O ASP I 42 37.220 23.616 7.733 1.00 16.06 O ATOM 2237 CB ASP I 42 37.152 23.966 4.600 1.00 15.04 C ATOM 2238 CG ASP I 42 37.133 23.167 3.298 1.00 19.16 C ATOM 2239 OD1 ASP I 42 36.600 22.021 3.303 1.00 23.81 O ATOM 2240 OD2 ASP I 42 37.573 23.623 2.220 1.00 18.74 O ATOM 2241 N LYS I 43 35.734 25.256 7.177 1.00 13.46 N ATOM 2242 CA LYS I 43 36.055 26.111 8.323 1.00 15.49 C ATOM 2243 C LYS I 43 34.756 26.744 8.808 1.00 14.78 C ATOM 2244 O LYS I 43 34.462 27.919 8.499 1.00 14.15 O ATOM 2245 CB LYS I 43 37.074 27.191 7.843 1.00 15.26 C ATOM 2246 CG LYS I 43 37.715 28.042 8.983 1.00 17.79 C ATOM 2247 CD LYS I 43 38.641 29.130 8.384 1.00 21.78 C ATOM 2248 CE LYS I 43 39.138 30.159 9.452 1.00 21.38 C ATOM 2249 NZ LYS I 43 40.079 29.464 10.415 1.00 22.40 N ATOM 2250 N PRO I 44 33.919 25.959 9.496 1.00 14.87 N ATOM 2251 CA PRO I 44 32.585 26.431 9.889 1.00 15.41 C ATOM 2252 C PRO I 44 32.531 27.690 10.754 1.00 15.76 C ATOM 2253 O PRO I 44 31.503 28.392 10.703 1.00 15.93 O ATOM 2254 CB PRO I 44 31.968 25.239 10.675 1.00 16.86 C ATOM 2255 CG PRO I 44 32.814 24.047 10.340 1.00 15.59 C ATOM 2256 CD PRO I 44 34.165 24.542 9.863 1.00 15.11 C ATOM 2257 N ALA I 45 33.572 27.942 11.537 1.00 16.97 N ATOM 2258 CA ALA I 45 33.592 29.144 12.362 1.00 19.61 C ATOM 2259 C ALA I 45 34.181 30.365 11.637 1.00 20.23 C ATOM 2260 O ALA I 45 34.307 31.422 12.262 1.00 20.64 O ATOM 2261 CB ALA I 45 34.395 28.888 13.653 1.00 20.44 C ATOM 2262 N ALA I 46 34.567 30.227 10.360 1.00 18.61 N ATOM 2263 CA ALA I 46 35.146 31.362 9.606 1.00 18.03 C ATOM 2264 C ALA I 46 34.303 32.643 9.631 1.00 18.63 C ATOM 2265 O ALA I 46 33.075 32.610 9.497 1.00 17.51 O ATOM 2266 CB ALA I 46 35.429 30.958 8.148 1.00 16.81 C ATOM 2267 N GLN I 47 34.977 33.782 9.793 1.00 17.93 N ATOM 2268 CA GLN I 47 34.337 35.080 9.657 1.00 19.35 C ATOM 2269 C GLN I 47 34.601 35.576 8.275 1.00 18.61 C ATOM 2270 O GLN I 47 35.719 35.977 7.947 1.00 19.59 O ATOM 2271 CB GLN I 47 34.865 36.057 10.720 1.00 20.02 C ATOM 2272 CG AGLN I 47 34.886 35.434 12.146 0.67 23.33 C ATOM 2273 CG BGLN I 47 34.054 35.952 12.035 0.33 21.82 C ATOM 2274 CD AGLN I 47 33.486 35.050 12.664 0.67 29.23 C ATOM 2275 CD BGLN I 47 34.831 36.340 13.293 0.33 24.10 C ATOM 2276 OE1AGLN I 47 32.607 35.913 12.822 0.67 32.66 O ATOM 2277 OE1BGLN I 47 35.136 35.488 14.145 0.33 23.83 O ATOM 2278 NE2AGLN I 47 33.285 33.760 12.926 0.67 31.10 N ATOM 2279 NE2BGLN I 47 35.125 37.624 13.426 0.33 25.39 N ATOM 2280 N ILE I 48 33.570 35.525 7.436 1.00 18.11 N ATOM 2281 CA ILE I 48 33.745 35.814 6.032 1.00 17.81 C ATOM 2282 C ILE I 48 33.409 37.261 5.737 1.00 18.11 C ATOM 2283 O ILE I 48 32.339 37.757 6.131 1.00 18.42 O ATOM 2284 CB ILE I 48 32.891 34.836 5.138 1.00 18.99 C ATOM 2285 CG1 ILE I 48 33.433 33.399 5.352 1.00 18.99 C ATOM 2286 CG2 ILE I 48 32.950 35.298 3.668 1.00 17.81 C ATOM 2287 CD1 ILE I 48 32.897 32.326 4.463 1.00 22.25 C ATOM 2288 N ILE I 49 34.296 37.924 5.000 1.00 17.22 N ATOM 2289 CA ILE I 49 34.111 39.324 4.640 1.00 19.11 C ATOM 2290 C ILE I 49 34.272 39.470 3.137 1.00 16.91 C ATOM 2291 O ILE I 49 35.282 39.054 2.581 1.00 16.31 O ATOM 2292 CB ILE I 49 35.147 40.137 5.502 1.00 21.03 C ATOM 2293 CG1 ILE I 49 34.486 40.479 6.864 1.00 25.39 C ATOM 2294 CG2 ILE I 49 35.663 41.347 4.829 1.00 25.15 C ATOM 2295 CD1 ILE I 49 35.115 39.788 8.001 1.00 32.65 C ATOM 2296 N VAL I 50 33.264 40.019 2.476 1.00 15.76 N ATOM 2297 CA VAL I 50 33.295 40.168 1.023 1.00 16.27 C ATOM 2298 C VAL I 50 33.657 41.627 0.678 1.00 17.26 C ATOM 2299 O VAL I 50 33.032 42.541 1.191 1.00 17.43 O ATOM 2300 CB VAL I 50 31.943 39.801 0.389 1.00 15.87 C ATOM 2301 CG1 VAL I 50 31.942 40.006 -1.133 1.00 17.39 C ATOM 2302 CG2 VAL I 50 31.589 38.331 0.744 1.00 16.50 C ATOM 2303 N LEU I 51 34.642 41.822 -0.195 1.00 16.77 N ATOM 2304 CA LEU I 51 35.145 43.159 -0.526 1.00 17.35 C ATOM 2305 C LEU I 51 35.419 43.192 -2.007 1.00 16.84 C ATOM 2306 O LEU I 51 35.731 42.146 -2.596 1.00 16.70 O ATOM 2307 CB LEU I 51 36.480 43.428 0.227 1.00 17.06 C ATOM 2308 CG LEU I 51 36.456 43.369 1.778 1.00 21.47 C ATOM 2309 CD1 LEU I 51 37.885 43.511 2.372 1.00 22.20 C ATOM 2310 CD2 LEU I 51 35.525 44.445 2.365 1.00 24.13 C ATOM 2311 N PRO I 52 35.389 44.376 -2.627 1.00 18.29 N ATOM 2312 CA PRO I 52 35.757 44.494 -4.050 1.00 17.52 C ATOM 2313 C PRO I 52 37.258 44.225 -4.261 1.00 17.87 C ATOM 2314 O PRO I 52 38.083 44.732 -3.491 1.00 18.64 O ATOM 2315 CB PRO I 52 35.440 45.961 -4.415 1.00 18.13 C ATOM 2316 CG PRO I 52 34.653 46.535 -3.224 1.00 20.31 C ATOM 2317 CD PRO I 52 35.044 45.678 -2.007 1.00 18.75 C ATOM 2318 N VAL I 53 37.593 43.463 -5.289 1.00 16.58 N ATOM 2319 CA VAL I 53 38.973 43.251 -5.681 1.00 17.59 C ATOM 2320 C VAL I 53 39.559 44.632 -6.053 1.00 17.89 C ATOM 2321 O VAL I 53 38.821 45.513 -6.469 1.00 17.67 O ATOM 2322 CB VAL I 53 39.083 42.262 -6.854 1.00 17.74 C ATOM 2323 CG1 VAL I 53 38.556 42.871 -8.159 1.00 17.62 C ATOM 2324 CG2 VAL I 53 40.556 41.689 -6.969 1.00 19.03 C ATOM 2325 N GLY I 54 40.852 44.817 -5.824 1.00 18.69 N ATOM 2326 CA GLY I 54 41.488 46.089 -6.137 1.00 19.82 C ATOM 2327 C GLY I 54 41.253 47.177 -5.075 1.00 20.72 C ATOM 2328 O GLY I 54 41.390 48.379 -5.374 1.00 22.20 O ATOM 2329 N THR I 55 40.846 46.791 -3.873 1.00 19.89 N ATOM 2330 CA THR I 55 40.816 47.760 -2.776 1.00 19.93 C ATOM 2331 C THR I 55 42.017 47.512 -1.875 1.00 19.20 C ATOM 2332 O THR I 55 42.723 46.515 -1.995 1.00 18.31 O ATOM 2333 CB THR I 55 39.538 47.695 -1.933 1.00 20.27 C ATOM 2334 OG1 THR I 55 39.278 46.337 -1.602 1.00 21.62 O ATOM 2335 CG2 THR I 55 38.346 48.159 -2.724 1.00 23.07 C ATOM 2336 N ILE I 56 42.222 48.443 -0.964 1.00 17.59 N ATOM 2337 CA ILE I 56 43.319 48.362 -0.019 1.00 17.01 C ATOM 2338 C ILE I 56 42.720 47.902 1.295 1.00 15.25 C ATOM 2339 O ILE I 56 41.644 48.342 1.645 1.00 15.75 O ATOM 2340 CB ILE I 56 43.912 49.808 0.155 1.00 18.75 C ATOM 2341 CG1 ILE I 56 44.655 50.269 -1.103 1.00 20.13 C ATOM 2342 CG2 ILE I 56 44.798 49.898 1.423 1.00 18.18 C ATOM 2343 CD1 ILE I 56 45.850 49.392 -1.490 1.00 24.25 C ATOM 2344 N VAL I 57 43.417 47.047 2.045 1.00 13.93 N ATOM 2345 CA VAL I 57 42.856 46.589 3.322 1.00 13.53 C ATOM 2346 C VAL I 57 43.927 46.682 4.392 1.00 13.43 C ATOM 2347 O VAL I 57 45.130 46.693 4.076 1.00 12.57 O ATOM 2348 CB VAL I 57 42.355 45.102 3.234 1.00 13.75 C ATOM 2349 CG1 VAL I 57 41.106 44.969 2.222 1.00 14.81 C ATOM 2350 CG2 VAL I 57 43.521 44.142 2.882 1.00 13.69 C ATOM 2351 N PRO I 58 43.531 46.737 5.658 1.00 14.25 N ATOM 2352 CA PRO I 58 44.530 46.762 6.751 1.00 13.90 C ATOM 2353 C PRO I 58 45.277 45.442 6.852 1.00 15.00 C ATOM 2354 O PRO I 58 44.757 44.419 6.393 1.00 16.00 O ATOM 2355 CB PRO I 58 43.671 47.002 8.027 1.00 15.38 C ATOM 2356 CG PRO I 58 42.242 46.590 7.673 1.00 15.46 C ATOM 2357 CD PRO I 58 42.149 46.821 6.158 1.00 14.74 C ATOM 2358 N MET I 59 46.500 45.461 7.400 1.00 13.61 N ATOM 2359 CA MET I 59 47.370 44.292 7.438 1.00 14.75 C ATOM 2360 C MET I 59 47.497 43.545 8.795 1.00 13.70 C ATOM 2361 O MET I 59 48.569 43.046 9.159 1.00 13.78 O ATOM 2362 CB MET I 59 48.758 44.679 6.877 1.00 14.39 C ATOM 2363 CG MET I 59 48.687 45.054 5.404 1.00 15.45 C ATOM 2364 SD MET I 59 48.447 43.469 4.433 1.00 17.94 S ATOM 2365 CE MET I 59 47.229 43.922 3.315 1.00 18.28 C ATOM 2366 N GLU I 60 46.399 43.420 9.515 1.00 14.31 N ATOM 2367 CA GLU I 60 46.366 42.555 10.670 1.00 15.34 C ATOM 2368 C GLU I 60 46.124 41.091 10.184 1.00 16.13 C ATOM 2369 O GLU I 60 45.581 40.859 9.066 1.00 15.98 O ATOM 2370 CB GLU I 60 45.270 43.119 11.561 1.00 16.47 C ATOM 2371 CG AGLU I 60 43.858 42.639 11.350 0.50 18.04 C ATOM 2372 CG BGLU I 60 45.293 42.961 13.025 0.50 16.92 C ATOM 2373 CD AGLU I 60 43.129 43.407 10.267 0.50 17.18 C ATOM 2374 CD BGLU I 60 44.083 43.664 13.558 0.50 17.37 C ATOM 2375 OE1AGLU I 60 43.585 43.386 9.096 0.50 15.65 O ATOM 2376 OE1BGLU I 60 44.224 44.776 14.108 0.50 17.02 O ATOM 2377 OE2AGLU I 60 42.071 43.976 10.589 0.50 17.64 O ATOM 2378 OE2BGLU I 60 42.984 43.111 13.381 0.50 15.85 O ATOM 2379 N TYR I 61 46.584 40.119 10.952 1.00 15.99 N ATOM 2380 CA TYR I 61 46.438 38.709 10.542 1.00 17.20 C ATOM 2381 C TYR I 61 45.506 38.027 11.552 1.00 19.19 C ATOM 2382 O TYR I 61 45.842 37.914 12.755 1.00 18.54 O ATOM 2383 CB TYR I 61 47.803 38.001 10.457 1.00 18.10 C ATOM 2384 CG TYR I 61 47.753 36.568 9.912 1.00 19.14 C ATOM 2385 CD1 TYR I 61 47.608 36.345 8.548 1.00 20.53 C ATOM 2386 CD2 TYR I 61 47.855 35.458 10.766 1.00 22.65 C ATOM 2387 CE1 TYR I 61 47.564 35.048 8.011 1.00 21.61 C ATOM 2388 CE2 TYR I 61 47.793 34.126 10.243 1.00 24.51 C ATOM 2389 CZ TYR I 61 47.646 33.942 8.856 1.00 26.08 C ATOM 2390 OH TYR I 61 47.580 32.671 8.278 1.00 28.32 O ATOM 2391 N ARG I 62 44.328 37.606 11.078 1.00 18.50 N ATOM 2392 CA ARG I 62 43.335 37.005 11.938 1.00 20.52 C ATOM 2393 C ARG I 62 43.065 35.590 11.394 1.00 21.60 C ATOM 2394 O ARG I 62 42.491 35.447 10.304 1.00 19.29 O ATOM 2395 CB ARG I 62 42.063 37.811 11.896 1.00 21.18 C ATOM 2396 CG ARG I 62 42.183 39.219 12.406 1.00 25.17 C ATOM 2397 CD ARG I 62 40.859 39.904 12.475 1.00 31.71 C ATOM 2398 NE ARG I 62 40.990 41.242 13.019 1.00 36.56 N ATOM 2399 CZ ARG I 62 40.001 41.893 13.590 1.00 38.79 C ATOM 2400 NH1 ARG I 62 38.809 41.299 13.672 1.00 39.12 N ATOM 2401 NH2 ARG I 62 40.202 43.118 14.078 1.00 36.15 N ATOM 2402 N ILE I 63 43.454 34.585 12.177 1.00 21.88 N ATOM 2403 CA ILE I 63 43.310 33.175 11.825 1.00 23.53 C ATOM 2404 C ILE I 63 41.838 32.762 11.575 1.00 22.64 C ATOM 2405 O ILE I 63 41.588 31.780 10.900 1.00 23.93 O ATOM 2406 CB ILE I 63 43.975 32.294 12.968 1.00 24.03 C ATOM 2407 CG1AILE I 63 44.409 30.911 12.494 0.50 25.44 C ATOM 2408 CG1BILE I 63 43.452 32.659 14.358 0.50 25.57 C ATOM 2409 CG2AILE I 63 43.079 32.241 14.191 0.50 25.49 C ATOM 2410 CG2BILE I 63 45.498 32.376 12.870 0.50 24.34 C ATOM 2411 CD1AILE I 63 45.529 30.346 13.372 0.50 24.60 C ATOM 2412 CD1BILE I 63 43.039 31.427 15.202 0.50 28.38 C ATOM 2413 N ASP I 64 40.896 33.511 12.127 1.00 22.60 N ATOM 2414 CA ASP I 64 39.469 33.168 12.066 1.00 23.36 C ATOM 2415 C ASP I 64 38.786 33.774 10.834 1.00 21.57 C ATOM 2416 O ASP I 64 37.637 33.447 10.530 1.00 22.60 O ATOM 2417 CB ASP I 64 38.806 33.659 13.347 1.00 24.38 C ATOM 2418 CG AASP I 64 39.113 35.171 13.637 1.00 32.62 C ATOM 2419 OD1AASP I 64 40.259 35.526 14.114 1.00 36.37 O ATOM 2420 OD2AASP I 64 38.255 36.067 13.392 1.00 37.88 O ATOM 2421 N ARG I 65 39.486 34.665 10.125 1.00 19.09 N ATOM 2422 CA ARG I 65 38.869 35.462 9.039 1.00 16.52 C ATOM 2423 C ARG I 65 39.256 34.917 7.678 1.00 15.98 C ATOM 2424 O ARG I 65 40.359 34.424 7.490 1.00 16.07 O ATOM 2425 CB ARG I 65 39.341 36.920 9.114 1.00 17.39 C ATOM 2426 CG ARG I 65 38.747 37.845 8.005 1.00 15.02 C ATOM 2427 CD ARG I 65 39.081 39.334 8.294 1.00 16.23 C ATOM 2428 NE ARG I 65 40.547 39.530 8.394 1.00 16.12 N ATOM 2429 CZ ARG I 65 41.104 40.677 8.822 1.00 16.16 C ATOM 2430 NH1 ARG I 65 40.312 41.699 9.195 1.00 15.89 N ATOM 2431 NH2 ARG I 65 42.423 40.795 8.861 1.00 16.10 N ATOM 2432 N VAL I 66 38.319 35.004 6.734 1.00 15.49 N ATOM 2433 CA VAL I 66 38.585 34.740 5.323 1.00 14.67 C ATOM 2434 C VAL I 66 37.945 35.846 4.492 1.00 14.51 C ATOM 2435 O VAL I 66 36.718 35.953 4.357 1.00 14.93 O ATOM 2436 CB VAL I 66 38.083 33.353 4.826 1.00 15.03 C ATOM 2437 CG1 VAL I 66 38.477 33.169 3.345 1.00 14.08 C ATOM 2438 CG2 VAL I 66 38.653 32.176 5.688 1.00 13.48 C ATOM 2439 N ARG I 67 38.790 36.684 3.914 1.00 13.12 N ATOM 2440 CA ARG I 67 38.309 37.704 2.991 1.00 13.50 C ATOM 2441 C ARG I 67 38.079 37.075 1.615 1.00 13.61 C ATOM 2442 O ARG I 67 38.900 36.276 1.137 1.00 13.67 O ATOM 2443 CB ARG I 67 39.371 38.769 2.818 1.00 13.61 C ATOM 2444 CG ARG I 67 39.536 39.685 4.046 1.00 14.37 C ATOM 2445 CD ARG I 67 40.479 40.842 3.670 1.00 17.55 C ATOM 2446 NE ARG I 67 40.627 41.826 4.746 1.00 16.84 N ATOM 2447 CZ ARG I 67 41.734 41.969 5.490 1.00 18.77 C ATOM 2448 NH1 ARG I 67 42.774 41.161 5.313 1.00 18.58 N ATOM 2449 NH2 ARG I 67 41.800 42.952 6.406 1.00 14.67 N ATOM 2450 N LEU I 68 36.976 37.484 0.987 1.00 13.50 N ATOM 2451 CA LEU I 68 36.679 37.108 -0.395 1.00 13.69 C ATOM 2452 C LEU I 68 36.642 38.364 -1.238 1.00 13.45 C ATOM 2453 O LEU I 68 35.774 39.246 -1.041 1.00 14.06 O ATOM 2454 CB LEU I 68 35.325 36.395 -0.484 1.00 13.05 C ATOM 2455 CG LEU I 68 35.224 35.058 0.246 1.00 15.43 C ATOM 2456 CD1 LEU I 68 33.761 34.504 0.158 1.00 14.51 C ATOM 2457 CD2 LEU I 68 36.273 34.071 -0.330 1.00 15.66 C ATOM 2458 N PHE I 69 37.593 38.456 -2.155 1.00 12.43 N ATOM 2459 CA PHE I 69 37.662 39.598 -3.052 1.00 13.97 C ATOM 2460 C PHE I 69 36.950 39.279 -4.355 1.00 13.57 C ATOM 2461 O PHE I 69 37.349 38.366 -5.067 1.00 14.08 O ATOM 2462 CB PHE I 69 39.128 39.905 -3.336 1.00 13.50 C ATOM 2463 CG PHE I 69 39.818 40.533 -2.145 1.00 15.51 C ATOM 2464 CD1 PHE I 69 39.608 41.877 -1.845 1.00 14.94 C ATOM 2465 CD2 PHE I 69 40.630 39.773 -1.329 1.00 15.99 C ATOM 2466 CE1 PHE I 69 40.266 42.484 -0.702 1.00 15.66 C ATOM 2467 CE2 PHE I 69 41.288 40.356 -0.200 1.00 15.71 C ATOM 2468 CZ PHE I 69 41.081 41.700 0.102 1.00 14.65 C ATOM 2469 N VAL I 70 35.924 40.064 -4.659 1.00 14.14 N ATOM 2470 CA VAL I 70 35.120 39.818 -5.859 1.00 15.14 C ATOM 2471 C VAL I 70 35.297 40.865 -6.956 1.00 15.92 C ATOM 2472 O VAL I 70 35.587 42.048 -6.685 1.00 16.76 O ATOM 2473 CB VAL I 70 33.605 39.661 -5.502 1.00 14.26 C ATOM 2474 CG1 VAL I 70 33.404 38.390 -4.610 1.00 13.10 C ATOM 2475 CG2 VAL I 70 33.053 40.905 -4.804 1.00 15.66 C ATOM 2476 N ASP I 71 35.109 40.423 -8.184 1.00 16.49 N ATOM 2477 CA ASP I 71 35.064 41.352 -9.297 1.00 17.90 C ATOM 2478 C ASP I 71 33.671 41.985 -9.389 1.00 17.86 C ATOM 2479 O ASP I 71 32.852 41.817 -8.481 1.00 17.44 O ATOM 2480 CB ASP I 71 35.572 40.708 -10.576 1.00 17.69 C ATOM 2481 CG ASP I 71 34.659 39.539 -11.080 1.00 19.31 C ATOM 2482 OD1 ASP I 71 33.465 39.453 -10.689 1.00 16.05 O ATOM 2483 OD2 ASP I 71 35.094 38.676 -11.848 1.00 20.93 O ATOM 2484 N ARG I 72 33.436 42.813 -10.427 1.00 19.28 N ATOM 2485 CA ARG I 72 32.160 43.538 -10.503 1.00 20.81 C ATOM 2486 C ARG I 72 30.956 42.609 -10.813 1.00 20.36 C ATOM 2487 O ARG I 72 29.816 43.055 -10.679 1.00 19.37 O ATOM 2488 CB ARG I 72 32.239 44.683 -11.530 1.00 22.77 C ATOM 2489 CG ARG I 72 32.251 44.146 -12.933 1.00 26.15 C ATOM 2490 CD ARG I 72 32.548 45.144 -14.093 1.00 36.06 C ATOM 2491 NE ARG I 72 32.865 44.303 -15.247 1.00 40.78 N ATOM 2492 CZ ARG I 72 31.976 43.897 -16.154 1.00 43.20 C ATOM 2493 NH1 ARG I 72 30.710 44.324 -16.098 1.00 41.10 N ATOM 2494 NH2 ARG I 72 32.374 43.090 -17.143 1.00 45.13 N ATOM 2495 N LEU I 73 31.227 41.349 -11.191 1.00 19.55 N ATOM 2496 CA LEU I 73 30.174 40.330 -11.458 1.00 18.36 C ATOM 2497 C LEU I 73 29.852 39.479 -10.222 1.00 17.90 C ATOM 2498 O LEU I 73 28.958 38.635 -10.276 1.00 17.51 O ATOM 2499 CB LEU I 73 30.578 39.416 -12.629 1.00 18.83 C ATOM 2500 CG LEU I 73 30.950 40.085 -13.982 1.00 20.56 C ATOM 2501 CD1 LEU I 73 31.295 39.054 -15.060 1.00 19.81 C ATOM 2502 CD2 LEU I 73 29.801 40.996 -14.413 1.00 21.80 C ATOM 2503 N ASP I 74 30.564 39.724 -9.108 1.00 16.34 N ATOM 2504 CA ASP I 74 30.439 38.978 -7.861 1.00 15.91 C ATOM 2505 C ASP I 74 31.040 37.569 -8.004 1.00 14.26 C ATOM 2506 O ASP I 74 30.609 36.629 -7.326 1.00 13.41 O ATOM 2507 CB ASP I 74 28.982 38.899 -7.364 1.00 16.81 C ATOM 2508 CG ASP I 74 28.782 39.530 -5.981 1.00 19.20 C ATOM 2509 OD1 ASP I 74 29.721 40.174 -5.476 1.00 23.13 O ATOM 2510 OD2 ASP I 74 27.712 39.460 -5.330 1.00 18.25 O ATOM 2511 N ASN I 75 32.062 37.427 -8.852 1.00 13.89 N ATOM 2512 CA ASN I 75 32.844 36.196 -8.864 1.00 13.77 C ATOM 2513 C ASN I 75 34.178 36.385 -8.120 1.00 13.50 C ATOM 2514 O ASN I 75 34.689 37.518 -8.041 1.00 12.64 O ATOM 2515 CB ASN I 75 33.110 35.729 -10.283 1.00 13.77 C ATOM 2516 CG ASN I 75 31.822 35.432 -11.038 1.00 14.85 C ATOM 2517 OD1 ASN I 75 30.889 34.823 -10.474 1.00 15.33 O ATOM 2518 ND2 ASN I 75 31.768 35.855 -12.321 1.00 10.92 N ATOM 2519 N ILE I 76 34.733 35.294 -7.583 1.00 13.30 N ATOM 2520 CA ILE I 76 36.017 35.404 -6.819 1.00 12.85 C ATOM 2521 C ILE I 76 37.154 35.806 -7.756 1.00 13.16 C ATOM 2522 O ILE I 76 37.345 35.155 -8.791 1.00 14.48 O ATOM 2523 CB ILE I 76 36.359 34.046 -6.163 1.00 11.75 C ATOM 2524 CG1 ILE I 76 35.224 33.642 -5.193 1.00 8.82 C ATOM 2525 CG2 ILE I 76 37.791 34.100 -5.464 1.00 11.26 C ATOM 2526 CD1 ILE I 76 34.915 34.731 -4.074 1.00 12.32 C ATOM 2527 N ALA I 77 37.930 36.837 -7.393 1.00 14.52 N ATOM 2528 CA ALA I 77 38.969 37.384 -8.297 1.00 15.43 C ATOM 2529 C ALA I 77 40.389 37.280 -7.737 1.00 17.90 C ATOM 2530 O ALA I 77 41.330 37.719 -8.411 1.00 19.94 O ATOM 2531 CB ALA I 77 38.685 38.856 -8.654 1.00 15.96 C ATOM 2532 N GLN I 78 40.538 36.647 -6.569 1.00 16.35 N ATOM 2533 CA GLN I 78 41.832 36.500 -5.864 1.00 18.54 C ATOM 2534 C GLN I 78 41.731 35.192 -5.034 1.00 17.34 C ATOM 2535 O GLN I 78 40.633 34.894 -4.516 1.00 16.78 O ATOM 2536 CB GLN I 78 41.974 37.716 -4.932 1.00 18.91 C ATOM 2537 CG GLN I 78 43.308 37.817 -4.159 1.00 23.02 C ATOM 2538 CD GLN I 78 43.481 39.210 -3.573 1.00 25.06 C ATOM 2539 OE1 GLN I 78 43.194 40.207 -4.248 1.00 24.48 O ATOM 2540 NE2 GLN I 78 43.910 39.286 -2.307 1.00 23.86 N ATOM 2541 N VAL I 79 42.821 34.418 -4.899 1.00 15.67 N ATOM 2542 CA VAL I 79 42.781 33.199 -4.072 1.00 16.04 C ATOM 2543 C VAL I 79 42.345 33.538 -2.643 1.00 16.00 C ATOM 2544 O VAL I 79 43.033 34.341 -1.933 1.00 16.16 O ATOM 2545 CB VAL I 79 44.187 32.500 -4.016 1.00 15.43 C ATOM 2546 CG1 VAL I 79 44.190 31.314 -3.076 1.00 16.46 C ATOM 2547 CG2 VAL I 79 44.624 32.080 -5.432 1.00 15.88 C ATOM 2548 N PRO I 80 41.231 32.953 -2.192 1.00 15.08 N ATOM 2549 CA PRO I 80 40.848 33.130 -0.785 1.00 14.42 C ATOM 2550 C PRO I 80 41.878 32.443 0.145 1.00 14.90 C ATOM 2551 O PRO I 80 42.357 31.343 -0.137 1.00 13.39 O ATOM 2552 CB PRO I 80 39.491 32.400 -0.692 1.00 14.48 C ATOM 2553 CG PRO I 80 38.950 32.422 -2.133 1.00 13.90 C ATOM 2554 CD PRO I 80 40.207 32.171 -2.963 1.00 12.07 C ATOM 2555 N ARG I 81 42.211 33.120 1.237 1.00 15.83 N ATOM 2556 CA ARG I 81 43.064 32.504 2.274 1.00 16.73 C ATOM 2557 C ARG I 81 42.674 33.025 3.645 1.00 16.84 C ATOM 2558 O ARG I 81 42.063 34.082 3.792 1.00 16.58 O ATOM 2559 CB ARG I 81 44.540 32.803 2.007 1.00 18.06 C ATOM 2560 CG ARG I 81 44.909 34.290 2.047 1.00 20.26 C ATOM 2561 CD ARG I 81 46.417 34.549 2.405 1.00 24.07 C ATOM 2562 NE ARG I 81 46.700 35.990 2.369 1.00 23.89 N ATOM 2563 CZ ARG I 81 46.534 36.854 3.390 1.00 27.41 C ATOM 2564 NH1 ARG I 81 46.135 36.457 4.613 1.00 25.35 N ATOM 2565 NH2 ARG I 81 46.812 38.134 3.193 1.00 25.06 N ATOM 2566 N VAL I 82 43.048 32.275 4.667 1.00 16.40 N ATOM 2567 CA VAL I 82 42.808 32.716 6.031 1.00 15.28 C ATOM 2568 C VAL I 82 43.713 33.946 6.313 1.00 15.36 C ATOM 2569 O VAL I 82 44.830 34.058 5.751 1.00 15.36 O ATOM 2570 CB VAL I 82 43.112 31.538 7.038 1.00 15.69 C ATOM 2571 CG1AVAL I 82 43.389 32.034 8.419 0.50 15.56 C ATOM 2572 CG1BVAL I 82 42.316 30.251 6.666 0.50 15.51 C ATOM 2573 CG2AVAL I 82 41.984 30.457 7.028 0.50 15.15 C ATOM 2574 CG2BVAL I 82 44.575 31.248 7.170 0.50 14.53 C ATOM 2575 N GLY I 83 43.244 34.855 7.154 1.00 15.62 N ATOM 2576 CA GLY I 83 44.084 35.987 7.541 1.00 16.59 C ATOM 2577 C GLY I 83 43.293 37.260 7.718 1.00 16.91 C ATOM 2578 O GLY I 83 43.795 38.209 8.377 1.00 16.21 O ATOM 2579 OXT GLY I 83 42.139 37.345 7.225 1.00 16.16 O TER 2580 GLY I 83 HETATM 2581 CA CA E1003 50.532 54.887 28.937 1.00 14.95 CA HETATM 2582 NA NA E1002 59.745 49.390 -0.532 1.00 16.62 NA HETATM 2583 C1 CIT E2001 74.104 68.229 9.239 1.00 20.61 C HETATM 2584 O1 CIT E2001 75.213 67.694 9.148 1.00 15.32 O HETATM 2585 O2 CIT E2001 73.582 68.793 8.245 1.00 19.11 O HETATM 2586 C2 CIT E2001 73.429 68.200 10.594 1.00 15.34 C HETATM 2587 C3 CIT E2001 74.157 67.405 11.726 1.00 17.92 C HETATM 2588 O7 CIT E2001 75.642 67.666 12.175 1.00 12.34 O HETATM 2589 C4 CIT E2001 72.982 67.237 12.740 1.00 14.68 C HETATM 2590 C5 CIT E2001 73.043 66.005 13.658 1.00 17.21 C HETATM 2591 O3 CIT E2001 74.117 65.427 13.823 1.00 14.45 O HETATM 2592 O4 CIT E2001 72.021 65.566 14.252 1.00 12.48 O HETATM 2593 C6 CIT E2001 74.535 66.149 11.201 1.00 20.22 C HETATM 2594 O5 CIT E2001 75.806 65.861 11.354 1.00 12.02 O HETATM 2595 O6 CIT E2001 73.567 65.564 10.677 1.00 15.06 O HETATM 2596 C1 ACIT E2002 74.377 62.773 7.063 0.50 24.70 C HETATM 2597 C1 BCIT E2002 74.428 60.749 8.253 0.50 30.06 C HETATM 2598 O1 ACIT E2002 74.970 62.095 6.195 0.50 22.80 O HETATM 2599 O1 BCIT E2002 75.567 60.213 8.247 0.50 29.78 O HETATM 2600 O2 ACIT E2002 73.892 63.879 6.678 0.50 17.57 O HETATM 2601 O2 BCIT E2002 73.416 60.050 8.065 0.50 32.67 O HETATM 2602 C2 CIT E2002 74.259 62.227 8.507 1.00 29.41 C HETATM 2603 C3 CIT E2002 75.410 62.611 9.452 1.00 29.32 C HETATM 2604 O7 CIT E2002 75.403 61.878 10.734 1.00 28.30 O HETATM 2605 C4 CIT E2002 76.721 62.951 8.718 1.00 24.46 C HETATM 2606 C5 CIT E2002 77.800 63.604 9.603 1.00 30.77 C HETATM 2607 O3 CIT E2002 78.043 63.300 10.811 1.00 26.61 O HETATM 2608 O4 CIT E2002 78.501 64.507 9.080 1.00 32.73 O HETATM 2609 C6 CIT E2002 75.099 63.839 10.109 1.00 29.09 C HETATM 2610 O5 CIT E2002 74.846 63.711 11.357 1.00 20.64 O HETATM 2611 O6 CIT E2002 75.225 64.838 9.373 1.00 21.04 O HETATM 2612 C1 CIT E2003 32.802 50.575 29.721 1.00 37.57 C HETATM 2613 O1 CIT E2003 32.870 51.013 30.885 1.00 33.12 O HETATM 2614 O2 CIT E2003 33.335 49.468 29.417 1.00 39.37 O HETATM 2615 C2 CIT E2003 32.125 51.420 28.677 1.00 37.73 C HETATM 2616 C3 CIT E2003 33.228 52.228 27.987 1.00 40.41 C HETATM 2617 O7 CIT E2003 34.043 51.272 27.233 1.00 39.73 O HETATM 2618 C4 CIT E2003 32.540 53.144 26.975 1.00 39.74 C HETATM 2619 C5 CIT E2003 33.463 54.218 26.451 1.00 41.50 C HETATM 2620 O3 CIT E2003 34.721 54.116 26.561 1.00 40.51 O HETATM 2621 O4 CIT E2003 32.954 55.233 25.905 1.00 41.98 O HETATM 2622 C6 CIT E2003 34.136 53.016 28.978 1.00 41.59 C HETATM 2623 O5 CIT E2003 35.206 52.491 29.449 1.00 41.17 O HETATM 2624 O6 CIT E2003 33.856 54.211 29.318 1.00 40.47 O HETATM 2625 OXT 15P E5001 57.171 65.896 27.966 1.00 45.44 O HETATM 2626 C1 15P E5001 58.283 65.901 27.059 1.00 42.88 C HETATM 2627 C2 15P E5001 59.455 65.086 27.626 1.00 39.86 C HETATM 2628 O1 15P E5001 59.176 64.474 28.897 1.00 37.60 O HETATM 2629 C3 15P E5001 60.327 64.345 29.752 1.00 28.57 C HETATM 2630 C4 15P E5001 61.321 63.335 29.181 1.00 21.81 C HETATM 2631 O2 15P E5001 60.696 62.045 29.004 1.00 17.11 O HETATM 2632 C5 15P E5001 61.720 61.124 28.588 1.00 16.10 C HETATM 2633 C6 15P E5001 61.118 59.714 28.694 1.00 13.31 C HETATM 2634 O3 15P E5001 60.859 59.467 30.077 1.00 14.93 O HETATM 2635 C7 15P E5001 60.679 58.079 30.284 1.00 13.10 C HETATM 2636 O1 15P E5002 61.996 69.300 4.801 1.00 43.74 O HETATM 2637 C3 15P E5002 61.648 69.350 6.198 1.00 39.34 C HETATM 2638 C4 15P E5002 60.991 68.022 6.575 1.00 33.58 C HETATM 2639 O2 15P E5002 60.050 67.683 5.564 1.00 29.82 O HETATM 2640 C5 15P E5002 58.842 67.260 6.181 1.00 29.03 C HETATM 2641 C6 15P E5002 57.815 66.844 5.156 1.00 27.35 C HETATM 2642 O3 15P E5002 57.264 68.013 4.590 1.00 26.80 O HETATM 2643 C7 15P E5002 56.190 67.747 3.702 1.00 29.27 C HETATM 2644 C8 15P E5002 55.887 69.038 2.986 1.00 31.46 C HETATM 2645 O4 15P E5002 57.025 69.402 2.205 1.00 34.29 O HETATM 2646 C9 15P E5002 56.751 70.452 1.274 1.00 38.92 C HETATM 2647 C10 15P E5002 57.901 70.517 0.270 1.00 43.30 C HETATM 2648 O5 15P E5002 59.113 70.599 1.024 1.00 48.36 O HETATM 2649 C11 15P E5002 60.307 70.497 0.248 1.00 49.76 C HETATM 2650 C12 15P E5002 61.475 70.727 1.205 1.00 53.11 C HETATM 2651 O6 15P E5002 61.474 69.731 2.241 1.00 54.75 O HETATM 2652 C2 15P E5003 37.376 65.556 19.713 1.00 50.74 C HETATM 2653 O1 15P E5003 38.641 66.105 19.324 1.00 50.63 O HETATM 2654 C3 15P E5003 39.287 65.348 18.287 1.00 47.27 C HETATM 2655 C4 15P E5003 40.788 65.638 18.217 1.00 45.21 C HETATM 2656 O2 15P E5003 40.980 66.946 17.690 1.00 45.27 O HETATM 2657 C5 15P E5003 42.309 67.457 17.710 1.00 45.79 C HETATM 2658 C6 15P E5003 42.348 68.690 16.806 1.00 48.67 C HETATM 2659 O3 15P E5003 41.686 68.375 15.566 1.00 51.69 O HETATM 2660 C7 15P E5003 41.784 69.359 14.521 1.00 52.87 C HETATM 2661 C8 15P E5003 40.440 69.501 13.801 1.00 54.26 C HETATM 2662 O4 15P E5003 40.303 68.567 12.723 1.00 55.50 O HETATM 2663 C9 15P E5003 38.934 68.473 12.305 1.00 57.37 C HETATM 2664 C10 15P E5003 38.732 67.384 11.250 1.00 57.74 C HETATM 2665 O HOH E5004 52.787 42.928 23.365 1.00 9.24 O HETATM 2666 O HOH E5005 50.014 47.915 16.223 1.00 9.76 O HETATM 2667 O HOH E5006 52.413 48.443 21.037 1.00 9.88 O HETATM 2668 O HOH E5007 54.796 44.256 21.860 1.00 10.34 O HETATM 2669 O HOH E5008 49.788 63.786 19.633 1.00 14.12 O HETATM 2670 O HOH E5009 61.416 64.115 22.394 1.00 12.04 O HETATM 2671 O HOH E5010 48.448 52.786 9.152 1.00 12.04 O HETATM 2672 O HOH E5011 66.716 45.935 18.476 1.00 10.92 O HETATM 2673 O HOH E5012 67.862 49.867 13.114 1.00 10.79 O HETATM 2674 O HOH E5013 60.815 63.410 7.728 1.00 12.12 O HETATM 2675 O HOH E5014 52.443 50.656 22.605 1.00 10.10 O HETATM 2676 O HOH E5015 49.397 59.849 21.775 1.00 11.44 O HETATM 2677 O HOH E5016 53.471 61.055 26.470 1.00 10.84 O HETATM 2678 O HOH E5017 66.614 49.791 25.380 1.00 14.45 O HETATM 2679 O HOH E5018 58.857 45.311 27.934 1.00 14.41 O HETATM 2680 O HOH E5019 71.535 46.213 15.905 1.00 11.91 O HETATM 2681 O HOH E5020 54.860 46.860 21.112 1.00 9.66 O HETATM 2682 O HOH E5021 51.616 61.777 21.896 1.00 12.87 O HETATM 2683 O HOH E5022 68.674 43.979 18.523 1.00 16.68 O HETATM 2684 O HOH E5023 61.101 53.592 28.432 1.00 12.90 O HETATM 2685 O HOH E5024 54.647 66.520 19.661 1.00 16.02 O HETATM 2686 O HOH E5025 42.931 53.000 30.250 1.00 13.07 O HETATM 2687 O HOH E5026 43.949 56.594 11.045 1.00 13.00 O HETATM 2688 O HOH E5027 56.365 46.874 31.660 1.00 14.23 O HETATM 2689 O HOH E5028 70.963 51.764 3.800 1.00 13.31 O HETATM 2690 O HOH E5029 60.298 56.054 2.987 1.00 14.35 O HETATM 2691 O HOH E5030 67.718 63.965 1.245 1.00 15.65 O HETATM 2692 O HOH E5031 69.948 67.357 14.242 1.00 15.06 O HETATM 2693 O HOH E5032 51.935 47.704 1.925 1.00 15.35 O HETATM 2694 O HOH E5033 54.069 42.549 25.931 1.00 17.02 O HETATM 2695 O HOH E5034 62.247 57.607 4.219 1.00 13.41 O HETATM 2696 O HOH E5035 61.177 48.215 1.108 1.00 15.40 O HETATM 2697 O HOH E5036 42.883 51.100 32.069 1.00 19.24 O HETATM 2698 O HOH E5037 64.654 60.385 0.546 1.00 21.62 O HETATM 2699 O HOH E5038 33.317 55.370 31.739 1.00 18.00 O HETATM 2700 O HOH E5039 71.203 56.527 20.476 1.00 15.33 O HETATM 2701 O HOH E5040 36.549 44.208 27.110 1.00 18.50 O HETATM 2702 O HOH E5041 74.655 55.584 8.050 1.00 18.99 O HETATM 2703 O HOH E5042 40.252 44.082 24.459 1.00 16.83 O HETATM 2704 O HOH E5043 70.488 41.854 4.764 1.00 22.44 O HETATM 2705 O HOH E5044 36.877 53.048 11.228 1.00 27.31 O HETATM 2706 O HOH E5045 66.411 54.134 32.657 1.00 16.21 O HETATM 2707 O HOH E5046 56.326 61.186 26.357 1.00 17.38 O HETATM 2708 O HOH E5047 70.529 57.224 28.847 1.00 13.17 O HETATM 2709 O HOH E5048 75.179 52.497 15.504 1.00 21.47 O HETATM 2710 O HOH E5049 68.579 39.641 8.124 1.00 18.35 O HETATM 2711 O HOH E5050 51.280 44.962 1.518 1.00 18.31 O HETATM 2712 O HOH E5051 49.504 67.368 -1.375 1.00 22.27 O HETATM 2713 O HOH E5052 68.207 56.065 2.409 1.00 18.69 O HETATM 2714 O HOH E5053 71.732 53.901 2.490 1.00 19.32 O HETATM 2715 O HOH E5054 63.239 65.222 5.336 1.00 11.68 O HETATM 2716 O HOH E5055 70.556 63.107 3.505 1.00 23.60 O HETATM 2717 O HOH E5056 59.247 54.088 -5.571 1.00 14.59 O HETATM 2718 O HOH E5057 55.304 61.878 -7.744 1.00 20.06 O HETATM 2719 O HOH E5058 73.335 39.503 13.619 1.00 23.06 O HETATM 2720 O HOH E5059 72.440 49.035 20.590 1.00 19.84 O HETATM 2721 O HOH E5060 38.408 55.283 24.091 1.00 21.27 O HETATM 2722 O HOH E5061 36.280 55.277 17.949 1.00 23.29 O HETATM 2723 O HOH E5062 63.905 58.387 2.164 1.00 19.02 O HETATM 2724 O HOH E5063 72.102 64.973 4.313 1.00 23.30 O HETATM 2725 O HOH E5064 33.264 49.244 32.806 1.00 18.56 O HETATM 2726 O HOH E5065 37.446 57.621 27.306 1.00 23.01 O HETATM 2727 O HOH E5066 39.131 45.275 9.169 1.00 28.16 O HETATM 2728 O HOH E5067 53.201 47.391 34.987 1.00 20.88 O HETATM 2729 O HOH E5068 63.750 62.406 -1.028 1.00 23.84 O HETATM 2730 O HOH E5069 60.683 59.827 -4.373 1.00 21.46 O HETATM 2731 O HOH E5070 78.162 54.033 17.203 1.00 46.92 O HETATM 2732 O HOH E5071 48.347 58.669 34.178 1.00 25.48 O HETATM 2733 O HOH E5072 67.784 41.442 19.272 1.00 20.99 O HETATM 2734 O HOH E5073 58.954 37.959 6.236 1.00 19.26 O HETATM 2735 O HOH E5074 46.720 52.974 36.800 1.00 25.09 O HETATM 2736 O HOH E5075 50.569 62.345 -6.147 1.00 28.21 O HETATM 2737 O HOH E5076 61.113 63.784 25.595 1.00 19.34 O HETATM 2738 O HOH E5077 65.266 41.909 1.161 1.00 24.43 O HETATM 2739 O HOH E5078 73.980 42.098 12.521 1.00 20.83 O HETATM 2740 O HOH E5079 58.057 33.260 -1.696 1.00 24.72 O HETATM 2741 O HOH E5080 46.095 50.772 32.989 1.00 29.89 O HETATM 2742 O HOH E5081 55.075 43.954 29.112 1.00 33.82 O HETATM 2743 O HOH E5082 70.329 55.218 26.751 1.00 40.91 O HETATM 2744 O HOH E5083 66.191 43.225 21.478 1.00 23.86 O HETATM 2745 O HOH E5084 61.313 42.633 24.847 1.00 27.73 O HETATM 2746 O HOH E5085 72.333 65.583 8.243 1.00 33.84 O HETATM 2747 O HOH E5086 47.943 60.870 30.321 1.00 24.44 O HETATM 2748 O HOH E5087 55.946 37.097 20.406 1.00 25.13 O HETATM 2749 O HOH E5088 69.426 49.007 24.811 1.00 24.07 O HETATM 2750 O HOH E5089 35.657 52.523 32.327 1.00 24.21 O HETATM 2751 O HOH E5090 51.688 45.268 27.642 0.50 13.73 O HETATM 2752 O HOH E5091 57.324 68.790 9.183 1.00 22.19 O HETATM 2753 O HOH E5092 63.816 56.502 31.210 1.00 15.17 O HETATM 2754 O HOH E5093 40.254 48.636 29.327 1.00 29.80 O HETATM 2755 O HOH E5094 64.015 48.372 0.648 1.00 22.83 O HETATM 2756 O HOH E5095 47.251 55.104 -11.991 1.00 24.40 O HETATM 2757 O HOH E5096 67.257 50.684 27.894 1.00 26.56 O HETATM 2758 O HOH E5097 65.137 47.612 25.629 1.00 18.05 O HETATM 2759 O HOH E5098 40.223 54.505 -6.549 1.00 26.99 O HETATM 2760 O HOH E5099 35.798 44.621 24.341 1.00 22.38 O HETATM 2761 O HOH E5100 56.124 57.833 -9.518 1.00 27.03 O HETATM 2762 O HOH E5101 63.027 66.102 21.467 1.00 25.15 O HETATM 2763 O HOH E5102 44.608 68.707 11.618 1.00 21.25 O HETATM 2764 O HOH E5103 71.898 58.035 3.514 1.00 32.05 O HETATM 2765 O HOH E5104 45.073 54.337 -8.526 1.00 28.54 O HETATM 2766 O HOH E5105 48.401 36.732 20.830 1.00 38.31 O HETATM 2767 O HOH E5106 49.048 60.526 -7.544 1.00 19.97 O HETATM 2768 O HOH E5107 51.724 64.477 23.721 1.00 33.95 O HETATM 2769 O HOH E5108 44.835 45.879 -4.782 1.00 40.91 O HETATM 2770 O HOH E5109 72.038 60.428 4.434 1.00 38.82 O HETATM 2771 O HOH E5110 43.111 63.017 21.734 1.00 28.17 O HETATM 2772 O HOH E5111 66.221 49.898 1.227 1.00 28.59 O HETATM 2773 O HOH E5112 71.892 54.856 24.910 1.00 32.10 O HETATM 2774 O HOH E5113 64.684 64.165 1.047 1.00 31.64 O HETATM 2775 O HOH E5114 32.624 50.690 6.265 1.00 53.98 O HETATM 2776 O HOH E5115 38.659 60.818 -0.772 1.00 26.37 O HETATM 2777 O HOH E5116 57.780 55.434 31.520 1.00 11.80 O HETATM 2778 O HOH E5117 53.877 56.765 -11.079 1.00 20.55 O HETATM 2779 O HOH E5118 73.990 54.514 4.018 1.00 15.77 O HETATM 2780 O HOH E5119 65.029 45.870 0.470 1.00 34.08 O HETATM 2781 O HOH E5120 78.414 68.419 12.520 1.00 29.75 O HETATM 2782 O HOH E5121 35.168 55.660 21.989 1.00 27.23 O HETATM 2783 O HOH E5122 40.308 51.082 -5.403 1.00 24.83 O HETATM 2784 O HOH E5123 33.013 47.418 30.851 1.00 22.59 O HETATM 2785 O HOH E5124 58.768 45.773 30.861 1.00 22.44 O HETATM 2786 O HOH E5125 38.164 44.800 22.971 1.00 24.97 O HETATM 2787 O HOH E5126 37.885 65.354 7.530 1.00 25.93 O HETATM 2788 O HOH E5127 74.117 51.192 20.091 1.00 26.60 O HETATM 2789 O HOH E5128 75.762 51.094 17.692 1.00 32.83 O HETATM 2790 O HOH E5129 49.388 34.085 4.616 1.00 19.08 O HETATM 2791 O HOH E5130 35.145 62.566 4.368 1.00 38.02 O HETATM 2792 O HOH E5131 43.715 65.335 0.066 1.00 30.89 O HETATM 2793 O HOH E5132 68.044 52.811 29.089 1.00 20.85 O HETATM 2794 O HOH E5133 49.946 66.661 20.562 1.00 35.44 O HETATM 2795 O HOH E5134 39.308 44.149 6.020 1.00 23.05 O HETATM 2796 O HOH E5135 45.041 61.169 28.484 1.00 29.70 O HETATM 2797 O HOH E5136 36.008 58.192 19.214 1.00 29.52 O HETATM 2798 O HOH E5137 37.385 48.010 21.230 1.00 31.33 O HETATM 2799 O HOH E5138 60.747 48.104 -2.348 1.00 20.07 O HETATM 2800 O HOH E5139 45.007 70.288 3.994 1.00 28.05 O HETATM 2801 O HOH E5140 32.670 58.640 10.702 1.00 34.25 O HETATM 2802 O HOH E5141 52.358 50.534 -9.768 1.00 26.07 O HETATM 2803 O HOH E5142 66.700 32.415 6.707 1.00 35.49 O HETATM 2804 O HOH E5143 69.790 68.952 7.071 1.00 28.11 O HETATM 2805 O HOH E5144 35.502 65.441 7.431 1.00 33.67 O HETATM 2806 O HOH E5145 34.944 51.128 2.479 1.00 35.59 O HETATM 2807 O HOH E5146 76.467 59.124 18.615 1.00 31.65 O HETATM 2808 O HOH E5147 61.709 67.352 16.856 1.00 37.07 O HETATM 2809 O HOH E5148 35.379 46.724 31.070 1.00 31.42 O HETATM 2810 O HOH E5149 49.753 42.801 0.947 1.00 19.23 O HETATM 2811 O HOH E5150 61.697 48.237 28.790 1.00 23.16 O HETATM 2812 O HOH E5151 44.825 38.598 18.442 1.00 32.48 O HETATM 2813 O HOH E5152 49.149 41.910 -1.503 1.00 33.46 O HETATM 2814 O HOH E5153 32.261 56.016 1.718 1.00 34.79 O HETATM 2815 O HOH E5154 55.971 60.479 -9.904 1.00 30.55 O HETATM 2816 O HOH E5155 36.418 62.847 24.135 1.00 31.56 O HETATM 2817 O HOH E5156 48.652 40.708 2.636 1.00 18.73 O HETATM 2818 O HOH E5157 51.957 39.465 24.382 1.00 33.99 O HETATM 2819 O HOH E5158 54.405 54.643 -12.509 1.00 30.67 O HETATM 2820 O HOH E5159 67.099 43.973 2.335 1.00 35.51 O HETATM 2821 O HOH E5160 69.712 43.180 2.416 1.00 33.10 O HETATM 2822 O HOH E5161 39.246 44.616 18.330 1.00 34.36 O HETATM 2823 O HOH E5162 62.261 67.909 -0.126 1.00 35.39 O HETATM 2824 O HOH E5163 61.297 65.650 9.226 1.00 21.60 O HETATM 2825 O HOH E5164 50.988 69.627 -1.145 1.00 32.87 O HETATM 2826 O HOH E5165 61.590 40.451 23.346 1.00 33.28 O HETATM 2827 O HOH E5166 57.880 40.858 -8.230 1.00 38.21 O HETATM 2828 O HOH E5167 51.991 62.025 28.456 1.00 31.92 O HETATM 2829 O HOH E5168 56.181 28.605 -0.486 1.00 36.54 O HETATM 2830 O HOH E5169 59.683 58.685 -8.857 1.00 33.77 O HETATM 2831 O HOH E5170 63.682 65.746 8.101 1.00 24.09 O HETATM 2832 O HOH E5171 54.317 61.123 -11.913 1.00 29.87 O HETATM 2833 O HOH E5172 51.007 68.134 18.933 1.00 38.96 O HETATM 2834 O HOH E5173 60.959 47.057 31.189 1.00 23.88 O HETATM 2835 O HOH E5174 57.704 68.518 12.916 1.00 26.85 O HETATM 2836 O HOH E5175 51.157 32.141 5.506 1.00 27.53 O HETATM 2837 O HOH E5176 60.180 41.100 -6.985 1.00 33.66 O HETATM 2838 O HOH E5177 49.399 39.490 25.269 1.00 44.03 O HETATM 2839 O HOH E5178 60.225 42.574 27.306 1.00 42.92 O HETATM 2840 O HOH E5179 33.123 53.390 2.972 1.00 44.10 O HETATM 2841 O HOH E5180 63.709 43.427 25.016 1.00 38.61 O HETATM 2842 O HOH E5181 51.355 40.601 -2.402 1.00 34.74 O HETATM 2843 O HOH E5182 54.733 39.947 26.592 1.00 38.74 O HETATM 2844 O HOH E5183 70.842 37.431 2.963 1.00 28.31 O HETATM 2845 O HOH E5184 36.723 50.264 29.049 1.00 21.91 O HETATM 2846 O HOH E5185 56.192 30.672 6.148 1.00 31.66 O HETATM 2847 O HOH E5186 51.647 66.302 22.186 1.00 40.77 O HETATM 2848 O HOH E5187 55.764 32.927 17.941 1.00 42.31 O HETATM 2849 O HOH E5188 56.514 62.360 -13.536 1.00 42.65 O HETATM 2850 O HOH E5189 80.151 52.558 13.410 1.00 44.02 O HETATM 2851 O HOH E5190 71.360 52.890 27.421 1.00 39.67 O HETATM 2852 O HOH E5191 46.174 60.801 -7.940 1.00 38.74 O HETATM 2853 O HOH E5192 62.215 67.031 11.951 1.00 36.54 O HETATM 2854 O HOH E5193 47.024 40.369 -1.332 1.00 35.46 O HETATM 2855 O HOH E5194 50.106 70.132 10.620 1.00 33.83 O HETATM 2856 O HOH E5195 52.745 58.678 -12.631 1.00 37.44 O HETATM 2857 O HOH E5196 49.590 61.002 -10.160 1.00 31.80 O HETATM 2858 O HOH E5197 55.270 34.100 20.199 1.00 44.51 O HETATM 2859 O HOH E5198 57.380 38.211 25.525 1.00 37.86 O HETATM 2860 O HOH E5199 47.423 69.846 10.190 1.00 38.88 O HETATM 2861 O HOH E5200 58.891 47.573 -6.884 1.00 32.95 O HETATM 2862 O HOH E5201 50.022 59.002 -11.900 1.00 31.62 O HETATM 2863 O HOH E5202 63.266 65.790 26.756 1.00 40.37 O HETATM 2864 O HOH E5203 48.476 52.254 -13.199 1.00 35.42 O HETATM 2865 O HOH E5204 72.395 42.390 18.795 1.00 39.51 O HETATM 2866 O HOH E5205 63.331 31.618 9.648 1.00 36.26 O HETATM 2867 O HOH E5206 53.583 52.328 -11.716 1.00 41.31 O HETATM 2868 O HOH E5207 61.330 67.862 14.218 1.00 34.56 O HETATM 2869 O HOH E5208 34.991 51.390 17.385 1.00 41.32 O HETATM 2870 O HOH E5209 51.611 33.118 -0.513 1.00 46.30 O HETATM 2871 O HOH E5210 67.142 33.692 12.534 0.50 31.43 O HETATM 2872 O HOH E5211 34.190 57.356 24.853 1.00 33.36 O HETATM 2873 O HOH E5212 48.474 70.329 14.546 1.00 34.13 O HETATM 2874 O HOH E5213 64.225 47.739 28.192 1.00 29.65 O HETATM 2875 O HOH E5214 44.997 62.475 26.177 1.00 40.67 O HETATM 2876 O HOH E5215 36.291 50.567 -0.169 1.00 37.32 O HETATM 2877 O HOH E5216 54.984 41.079 -4.644 1.00 35.69 O HETATM 2878 O HOH E5217 47.938 48.749 36.988 1.00 34.10 O HETATM 2879 O HOH E5218 54.499 32.255 13.061 1.00 30.27 O HETATM 2880 O HOH E5219 53.451 43.190 -8.918 1.00 39.64 O HETATM 2881 O HOH E5220 70.739 39.315 5.827 1.00 40.69 O HETATM 2882 O HOH E5221 66.902 40.551 -0.685 1.00 38.22 O HETATM 2883 O HOH E5222 46.109 59.235 33.099 1.00 45.35 O HETATM 2884 O HOH E5223 59.433 31.427 17.627 1.00 35.16 O HETATM 2885 O HOH E5224 58.240 49.880 -8.365 1.00 33.59 O HETATM 2886 O HOH E5225 74.469 61.712 3.788 1.00 38.21 O HETATM 2887 O HOH E5226 52.383 34.526 20.941 1.00 39.00 O HETATM 2888 O HOH E5227 63.737 66.480 24.335 1.00 51.84 O HETATM 2889 O HOH E5228 60.554 31.418 8.248 1.00 33.08 O HETATM 2890 O HOH E5229 61.078 53.980 -8.011 1.00 34.30 O HETATM 2891 O HOH E5230 64.576 66.926 3.746 1.00 28.44 O HETATM 2892 O HOH E5231 71.054 40.618 0.758 1.00 39.62 O HETATM 2893 O HOH E5232 45.852 58.543 35.757 1.00 30.13 O HETATM 2894 O HOH E5233 71.351 44.415 19.720 1.00 37.55 O HETATM 2895 O HOH E5234 64.171 67.832 19.017 1.00 48.14 O HETATM 2896 O HOH E5235 47.478 68.272 20.644 1.00 57.24 O HETATM 2897 O HOH E5236 39.074 41.028 17.110 1.00 38.19 O HETATM 2898 O HOH E5237 45.639 70.042 14.312 1.00 29.84 O HETATM 2899 O HOH E5238 53.203 63.512 -8.118 1.00 45.70 O HETATM 2900 O HOH E5239 47.072 64.152 26.740 1.00 46.71 O HETATM 2901 O HOH E5240 41.423 68.474 8.793 1.00 39.23 O HETATM 2902 O HOH E5241 58.203 70.682 7.148 1.00 37.55 O HETATM 2903 O HOH E5242 50.398 47.066 35.105 1.00 48.40 O HETATM 2904 O HOH E5243 51.121 69.792 -4.275 1.00 41.52 O HETATM 2905 O HOH E5244 72.944 37.345 9.183 1.00 41.40 O HETATM 2906 O HOH E5245 44.671 71.133 7.655 1.00 38.73 O HETATM 2907 O HOH E5246 72.362 50.608 27.001 1.00 43.13 O HETATM 2908 O HOH E5247 51.721 31.787 1.698 1.00 42.87 O HETATM 2909 O HOH E5248 62.925 45.118 31.304 1.00 33.09 O HETATM 2910 O HOH E5249 60.024 30.457 -0.065 1.00 40.02 O HETATM 2911 O HOH E5250 34.150 53.370 18.643 1.00 48.90 O HETATM 2912 O HOH E5251 63.161 47.783 -3.253 1.00 35.00 O HETATM 2913 O HOH E5252 46.378 69.648 18.331 1.00 45.39 O HETATM 2914 O HOH E5253 55.550 68.739 -2.436 1.00 36.43 O HETATM 2915 O HOH E5254 45.419 67.858 0.542 1.00 37.48 O HETATM 2916 O HOH E5255 29.992 60.816 8.102 1.00 44.94 O HETATM 2917 O HOH E5256 52.964 47.306 37.836 1.00 37.86 O HETATM 2918 O HOH E5257 51.672 62.771 -10.726 1.00 38.18 O HETATM 2919 O HOH E5258 46.721 68.684 -1.682 1.00 37.81 O HETATM 2920 O HOH E5259 43.938 59.353 -7.761 1.00 32.84 O HETATM 2921 O HOH E5260 54.583 45.314 33.194 1.00 36.94 O HETATM 2922 O HOH E5261 47.842 57.664 -13.279 1.00 39.51 O HETATM 2923 O HOH E5262 49.820 72.964 2.297 1.00 39.16 O HETATM 2924 O HOH E5263 42.985 60.655 -5.757 1.00 34.22 O HETATM 2925 O HOH E5264 50.103 34.762 17.847 1.00 47.51 O HETATM 2926 O HOH E5265 72.892 46.215 21.194 1.00 43.54 O HETATM 2927 O HOH E5266 68.296 36.880 17.631 1.00 41.07 O HETATM 2928 O HOH E5267 46.894 63.220 -6.144 1.00 44.84 O HETATM 2929 O HOH E5268 51.815 41.679 -4.721 1.00 47.46 O HETATM 2930 O HOH E5269 50.604 34.802 15.012 1.00 51.62 O HETATM 2931 O HOH E5270 36.461 55.911 25.562 1.00 33.35 O HETATM 2932 O HOH E5271 70.322 64.314 6.939 0.50 13.21 O HETATM 2933 O HOH E5272 50.675 31.601 8.648 1.00 40.55 O HETATM 2934 O HOH E5273 52.632 44.048 27.824 0.50 23.67 O HETATM 2935 O HOH E5274 48.050 33.877 14.269 1.00 36.82 O HETATM 2936 O HOH E5275 64.851 68.248 8.937 1.00 39.81 O HETATM 2937 O HOH E5276 33.387 58.331 19.777 1.00 42.94 O HETATM 2938 O HOH E5277 42.755 60.834 24.470 1.00 26.34 O HETATM 2939 O HOH E5278 35.709 49.315 -5.842 1.00 43.87 O HETATM 2940 O HOH E5279 43.466 56.619 -8.031 1.00 39.03 O HETATM 2941 O HOH E5280 58.599 43.094 31.796 1.00 31.84 O HETATM 2942 O HOH E5281 63.574 54.330 29.548 1.00 13.34 O HETATM 2943 O HOH E5282 76.608 42.448 18.357 1.00 35.69 O HETATM 2944 O HOH E5283 56.441 46.689 -8.830 1.00 43.70 O HETATM 2945 O HOH E5284 74.478 57.756 6.658 1.00 39.68 O HETATM 2946 O HOH E5285 58.797 37.905 -7.660 1.00 45.31 O HETATM 2947 O HOH E5286 60.025 44.896 -7.225 1.00 41.47 O HETATM 2948 O HOH E5287 58.516 29.536 -7.255 1.00 45.61 O HETATM 2949 O HOH E5288 78.316 57.315 17.269 1.00 23.57 O HETATM 2950 O HOH E5289 67.091 45.212 25.346 1.00 42.06 O HETATM 2951 O HOH E5290 56.386 67.205 23.697 1.00 34.36 O HETATM 2952 O HOH E5291 59.250 69.015 3.270 1.00 15.00 O HETATM 2953 O HOH E5292 65.976 33.959 13.690 0.50 31.21 O HETATM 2954 O HOH E5293 53.536 54.400 -15.235 1.00 38.62 O HETATM 2955 O HOH E5294 43.165 63.377 24.356 1.00 38.96 O HETATM 2956 O HOH E5295 73.863 39.843 16.301 1.00 26.02 O HETATM 2957 O HOH E5296 35.273 58.050 -3.723 1.00 41.91 O HETATM 2958 O HOH E5297 75.384 59.054 10.177 0.50 19.78 O HETATM 2959 O HOH E5298 48.950 48.465 32.026 1.00 29.24 O HETATM 2960 O HOH E5299 32.961 46.413 28.691 1.00 35.90 O HETATM 2961 O HOH E5300 65.472 52.652 30.455 1.00 40.09 O HETATM 2962 O HOH E5301 31.669 63.367 2.124 1.00 43.72 O HETATM 2963 O HOH E5302 37.238 60.700 -3.033 1.00 40.52 O HETATM 2964 O HOH E5303 60.449 51.142 -9.218 1.00 38.22 O HETATM 2965 O HOH E5304 49.025 70.452 17.218 1.00 47.86 O HETATM 2966 O HOH E5305 43.080 70.112 9.783 1.00 40.79 O HETATM 2967 O HOH E5306 43.237 65.761 21.471 1.00 50.53 O HETATM 2968 O HOH E5307 73.882 60.178 22.119 1.00 44.22 O HETATM 2969 O HOH E5308 57.795 61.629 28.632 1.00 16.98 O HETATM 2970 O HOH E5309 44.960 54.925 -11.187 1.00 49.38 O HETATM 2971 O HOH E5310 66.085 48.984 29.408 0.33 17.13 O HETATM 2972 O HOH E5311 74.630 52.969 26.021 1.00 41.65 O HETATM 2973 O HOH E5312 77.239 66.778 8.658 1.00 35.90 O HETATM 2974 O HOH E5313 38.797 68.238 16.317 1.00 43.74 O HETATM 2975 O AHOH E5314 65.096 50.157 30.274 0.67 26.78 O HETATM 2976 O HOH E5315 53.375 71.873 2.538 1.00 42.91 O HETATM 2977 O HOH E5316 50.924 64.609 26.072 1.00 40.24 O HETATM 2978 O HOH E5317 68.751 48.649 29.175 1.00 46.31 O HETATM 2979 O HOH E5318 58.662 70.969 4.535 1.00 41.71 O HETATM 2980 O HOH E5319 69.854 34.233 12.810 1.00 46.99 O HETATM 2981 O HOH E5320 49.636 72.083 -0.428 1.00 49.43 O HETATM 2982 O HOH E5321 61.044 38.341 -6.811 1.00 50.52 O HETATM 2983 O HOH E5322 39.155 62.407 -5.189 1.00 42.11 O HETATM 2984 O HOH E5323 60.084 31.568 10.907 1.00 44.08 O HETATM 2985 O HOH E5324 68.358 36.315 -0.749 1.00 42.50 O HETATM 2986 O HOH E5325 35.039 49.336 23.817 1.00 34.97 O HETATM 2987 O HOH E5326 38.072 55.503 -6.352 1.00 50.62 O HETATM 2988 O HOH E5327 74.093 49.398 25.072 1.00 45.92 O HETATM 2989 O HOH E5328 54.644 33.700 15.195 1.00 47.33 O HETATM 2990 O HOH E5329 47.342 45.112 28.363 1.00 54.27 O HETATM 2991 O HOH E5330 49.519 45.276 28.496 1.00 48.96 O HETATM 2992 O HOH E5331 53.204 36.054 -5.433 1.00 42.17 O HETATM 2993 O HOH E5332 65.479 71.746 12.304 1.00 43.79 O HETATM 2994 O HOH E5333 56.075 63.625 29.906 1.00 41.70 O HETATM 2995 O HOH E5334 58.733 33.970 20.768 1.00 41.47 O HETATM 2996 O HOH E5335 63.913 71.916 14.389 1.00 42.81 O HETATM 2997 O HOH E5336 47.130 47.212 29.690 1.00 48.46 O HETATM 2998 O HOH E5337 62.253 67.085 28.375 1.00 37.64 O HETATM 2999 O HOH E5338 58.217 55.775 -11.491 1.00 44.90 O HETATM 3000 O HOH E5339 48.282 42.760 28.949 1.00 43.07 O HETATM 3001 O HOH E5340 42.072 66.638 1.740 1.00 44.76 O HETATM 3002 O HOH E5341 36.730 61.183 19.570 1.00 45.50 O HETATM 3003 O HOH E5342 54.991 31.406 -6.611 1.00 47.57 O HETATM 3004 O HOH E5343 81.865 54.158 12.996 1.00 52.68 O HETATM 3005 O HOH E5344 54.929 68.528 21.542 1.00 53.09 O HETATM 3006 O HOH E5345 67.336 73.000 8.529 1.00 43.59 O HETATM 3007 O HOH E5346 55.293 36.908 23.202 1.00 50.24 O HETATM 3008 O HOH E5347 34.453 46.832 23.753 1.00 40.44 O HETATM 3009 O HOH E5348 67.897 46.569 -0.319 1.00 48.52 O HETATM 3010 O HOH E5349 71.376 35.611 13.891 1.00 46.07 O HETATM 3011 O HOH E5350 68.228 34.726 14.940 1.00 55.49 O HETATM 3012 O HOH E5351 30.661 47.450 30.956 1.00 42.78 O HETATM 3013 O HOH E5352 39.429 63.666 24.350 1.00 39.61 O HETATM 3014 O HOH E5353 60.967 68.295 24.283 1.00 47.42 O HETATM 3015 O HOH E5354 69.704 39.654 19.271 1.00 39.76 O HETATM 3016 O HOH E5355 45.110 60.106 30.513 1.00 42.36 O HETATM 3017 O HOH E5356 56.752 41.696 28.444 1.00 51.23 O HETATM 3018 O HOH E5357 36.536 40.409 16.626 1.00 48.39 O HETATM 3019 O HOH E5358 78.562 48.977 19.356 1.00 52.02 O HETATM 3020 O HOH E5359 50.548 38.195 -3.411 1.00 54.58 O HETATM 3021 O HOH E5360 44.128 64.744 -3.217 1.00 50.70 O HETATM 3022 O HOH E5361 70.361 42.774 22.589 1.00 40.39 O HETATM 3023 O HOH E5362 81.161 61.762 11.248 1.00 43.60 O HETATM 3024 O HOH E5363 61.826 70.733 13.209 1.00 54.92 O HETATM 3025 O HOH E5364 35.163 44.613 29.406 1.00 38.66 O HETATM 3026 O HOH E5365 78.714 58.937 19.335 1.00 65.53 O HETATM 3027 O HOH E5366 74.761 62.781 13.980 0.50 14.19 O HETATM 3028 O HOH E5367 77.524 61.320 19.000 0.50 24.36 O HETATM 3029 O HOH E5368 45.581 37.548 -0.391 1.00 32.04 O HETATM 3030 O HOH E5369 41.656 45.591 14.578 0.50 22.35 O HETATM 3031 O HOH E5370 49.503 34.328 -0.595 1.00 33.21 O HETATM 3032 O HOH E5371 37.475 43.394 7.831 1.00 39.29 O HETATM 3033 O HOH E5372 54.297 31.039 4.759 1.00 36.81 O HETATM 3034 O HOH E5373 47.177 38.578 -3.745 1.00 43.08 O HETATM 3035 O HOH E5374 35.433 65.997 12.303 1.00 54.04 O HETATM 3036 O HOH E5375 46.337 49.145 -11.280 1.00 45.55 O HETATM 3037 O HOH E5376 71.984 58.136 8.637 0.50 16.69 O HETATM 3038 O HOH E5377 46.917 38.598 -6.143 1.00 44.15 O HETATM 3039 O HOH E5378 60.760 68.816 11.188 1.00 43.27 O HETATM 3040 O HOH I 84 29.946 29.134 -8.467 1.00 11.83 O HETATM 3041 O HOH I 85 27.390 22.962 3.319 1.00 12.13 O HETATM 3042 O HOH I 86 28.519 25.444 3.996 1.00 16.44 O HETATM 3043 O HOH I 87 26.605 30.555 0.026 1.00 12.53 O HETATM 3044 O HOH I 88 41.607 36.587 4.795 1.00 13.87 O HETATM 3045 O HOH I 89 39.489 36.189 -2.471 1.00 15.15 O HETATM 3046 O HOH I 90 41.497 35.959 1.475 1.00 17.63 O HETATM 3047 O HOH I 91 31.067 31.100 10.632 1.00 17.00 O HETATM 3048 O HOH I 92 30.894 25.606 -10.021 1.00 16.71 O HETATM 3049 O HOH I 93 45.941 38.855 6.565 1.00 20.12 O HETATM 3050 O HOH I 94 41.932 36.717 -1.165 1.00 25.19 O HETATM 3051 O HOH I 95 34.168 36.973 -13.494 1.00 20.18 O HETATM 3052 O HOH I 96 47.131 32.564 5.566 1.00 22.98 O HETATM 3053 O HOH I 97 45.140 35.533 -6.157 1.00 18.96 O HETATM 3054 O HOH I 98 27.000 30.247 2.820 1.00 32.92 O HETATM 3055 O HOH I 99 30.990 40.853 3.970 1.00 26.88 O HETATM 3056 O HOH I 100 37.770 43.791 12.293 1.00 51.68 O HETATM 3057 O HOH I 101 25.517 20.669 -0.266 1.00 33.69 O HETATM 3058 O HOH I 102 43.285 38.483 4.001 1.00 25.25 O HETATM 3059 O HOH I 103 31.043 34.367 8.339 1.00 24.26 O HETATM 3060 O HOH I 104 37.481 41.840 9.573 1.00 30.98 O HETATM 3061 O HOH I 105 43.844 44.376 -0.765 1.00 35.69 O HETATM 3062 O HOH I 106 23.343 24.886 -0.388 1.00 31.95 O HETATM 3063 O HOH I 107 44.675 41.707 -0.505 1.00 25.75 O HETATM 3064 O HOH I 108 30.479 42.795 -7.057 1.00 26.49 O HETATM 3065 O HOH I 109 24.805 36.531 -2.421 1.00 27.12 O HETATM 3066 O HOH I 110 34.318 44.506 -7.402 1.00 26.70 O HETATM 3067 O HOH I 111 37.923 35.744 -11.413 1.00 34.65 O HETATM 3068 O HOH I 112 27.032 32.342 4.375 1.00 35.63 O HETATM 3069 O HOH I 113 34.562 22.062 1.280 1.00 31.10 O HETATM 3070 O HOH I 114 28.996 27.447 10.118 1.00 27.16 O HETATM 3071 O HOH I 115 37.893 29.410 12.185 1.00 42.98 O HETATM 3072 O HOH I 116 29.494 41.930 -3.323 1.00 32.99 O HETATM 3073 O HOH I 117 37.662 38.284 -12.377 1.00 30.86 O HETATM 3074 O HOH I 118 25.316 33.298 0.261 1.00 55.78 O HETATM 3075 O HOH I 119 29.037 33.926 5.085 1.00 46.97 O HETATM 3076 O HOH I 120 38.646 21.099 7.446 1.00 28.55 O HETATM 3077 O HOH I 121 32.160 22.115 -7.465 1.00 49.65 O HETATM 3078 O HOH I 122 37.986 25.082 11.262 1.00 45.39 O HETATM 3079 O HOH I 123 23.878 30.958 -1.379 1.00 27.82 O HETATM 3080 O HOH I 124 40.546 45.435 12.186 1.00 30.95 O HETATM 3081 O HOH I 125 45.664 35.477 14.377 1.00 39.09 O HETATM 3082 O HOH I 126 43.690 29.544 -8.585 1.00 26.91 O HETATM 3083 O HOH I 127 35.779 43.835 -11.756 1.00 31.20 O HETATM 3084 O HOH I 128 27.973 42.711 -8.200 1.00 39.40 O HETATM 3085 O HOH I 129 28.577 31.712 9.416 1.00 35.23 O HETATM 3086 O HOH I 130 42.439 42.953 -4.054 1.00 33.04 O HETATM 3087 O HOH I 131 44.099 40.675 1.972 1.00 22.08 O HETATM 3088 O HOH I 132 31.807 43.963 -3.065 1.00 39.88 O HETATM 3089 O HOH I 133 34.776 32.993 -13.888 1.00 36.57 O HETATM 3090 O HOH I 134 45.239 41.720 6.490 1.00 16.00 O HETATM 3091 O HOH I 135 28.319 19.896 -0.214 1.00 37.99 O HETATM 3092 O HOH I 136 45.568 35.054 -1.602 1.00 30.12 O HETATM 3093 O HOH I 137 27.151 24.163 -4.264 1.00 22.69 O HETATM 3094 O HOH I 138 37.693 22.422 -0.031 1.00 28.90 O HETATM 3095 O HOH I 139 36.401 45.854 -8.011 1.00 38.75 O HETATM 3096 O HOH I 140 31.617 44.568 -0.549 1.00 45.87 O HETATM 3097 O HOH I 141 31.002 22.989 -4.363 1.00 34.22 O HETATM 3098 O HOH I 142 31.279 20.887 -1.577 1.00 45.93 O HETATM 3099 O HOH I 143 29.142 22.850 -2.799 1.00 45.78 O HETATM 3100 O HOH I 144 39.489 26.558 12.920 1.00 51.02 O HETATM 3101 O HOH I 145 27.531 39.795 -2.931 1.00 46.63 O HETATM 3102 O HOH I 146 26.371 35.760 -0.475 1.00 54.54 O HETATM 3103 O HOH I 147 37.418 23.214 -2.502 1.00 36.79 O HETATM 3104 O HOH I 148 39.592 24.964 8.903 1.00 47.45 O HETATM 3105 O HOH I 149 44.948 24.474 -0.074 1.00 39.62 O HETATM 3106 O HOH I 150 39.012 41.018 -11.708 1.00 40.60 O HETATM 3107 O HOH I 151 27.796 43.694 -12.604 1.00 33.90 O HETATM 3108 O HOH I 152 28.826 42.993 -17.574 1.00 38.70 O HETATM 3109 O HOH I 153 40.737 28.438 -10.010 1.00 44.87 O HETATM 3110 O HOH I 154 43.496 51.821 -8.744 1.00 43.01 O HETATM 3111 O HOH I 155 29.068 37.333 4.359 1.00 43.13 O HETATM 3112 O HOH I 156 30.518 31.930 13.131 1.00 44.31 O HETATM 3113 O HOH I 157 45.500 39.595 15.027 1.00 23.29 O HETATM 3114 O HOH I 158 36.490 28.740 -11.860 1.00 38.53 O HETATM 3115 O HOH I 159 43.375 37.998 16.267 1.00 48.02 O HETATM 3116 O HOH I 160 36.080 26.525 11.774 1.00 28.15 O HETATM 3117 O HOH I 161 45.952 25.164 2.659 1.00 34.57 O HETATM 3118 O HOH I 162 42.986 43.819 9.359 0.50 13.52 O HETATM 3119 O HOH I 163 29.482 45.481 -13.869 1.00 49.41 O HETATM 3120 O HOH I 164 47.611 30.162 4.171 1.00 39.19 O HETATM 3121 O HOH I 165 37.893 38.547 13.016 1.00 41.60 O HETATM 3122 O HOH I 166 43.248 49.080 -8.147 1.00 45.53 O HETATM 3123 O HOH I 167 43.138 41.546 14.632 1.00 42.27 O HETATM 3124 O HOH I 168 47.107 28.894 -2.613 1.00 34.06 O HETATM 3125 O HOH I 169 41.405 44.019 10.241 0.50 12.98 O HETATM 3126 O HOH I 170 36.059 39.029 10.997 1.00 36.60 O HETATM 3127 O HOH I 171 47.802 25.312 5.373 1.00 45.50 O HETATM 3128 O HOH I 172 43.598 35.641 15.387 1.00 43.84 O HETATM 3129 O HOH I 173 32.217 44.991 -5.673 1.00 47.40 O HETATM 3130 O HOH I 174 28.310 38.833 2.039 1.00 44.07 O HETATM 3131 O HOH I 175 50.559 30.884 -1.059 1.00 44.53 O HETATM 3132 O HOH I 176 35.888 23.597 -4.300 1.00 46.02 O HETATM 3133 O HOH I 177 38.139 19.794 3.114 1.00 37.00 O HETATM 3134 O HOH I 178 30.327 40.556 6.519 1.00 42.34 O HETATM 3135 O HOH I 179 38.323 25.400 -10.209 1.00 48.99 O HETATM 3136 O HOH I 180 46.275 40.614 4.039 1.00 20.13 O HETATM 3137 O HOH I 181 43.906 40.678 -6.823 1.00 32.11 O HETATM 3138 O HOH I 182 43.515 37.914 1.613 1.00 30.18 O HETATM 3139 O HOH I 183 47.449 32.826 -1.405 1.00 31.52 O HETATM 3140 O HOH I 184 49.368 32.784 2.115 1.00 41.78 O HETATM 3141 O HOH I 185 25.209 33.763 2.814 1.00 46.87 O HETATM 3142 O HOH I 186 48.361 32.326 -4.204 1.00 37.99 O HETATM 3143 O HOH I 187 41.638 27.666 9.270 1.00 46.24 O CONECT 13 2581 CONECT 298 2581 CONECT 535 2581 CONECT 554 2581 CONECT 565 2581 CONECT 577 2581 CONECT 1183 2582 CONECT 1196 2582 CONECT 1221 2582 CONECT 2581 13 298 535 554 CONECT 2581 565 577 CONECT 2582 1183 1196 1221 2696 CONECT 2582 2799 CONECT 2583 2584 2585 2586 CONECT 2584 2583 CONECT 2585 2583 CONECT 2586 2583 2587 CONECT 2587 2586 2588 2589 2593 CONECT 2588 2587 CONECT 2589 2587 2590 CONECT 2590 2589 2591 2592 CONECT 2591 2590 CONECT 2592 2590 CONECT 2593 2587 2594 2595 CONECT 2594 2593 CONECT 2595 2593 CONECT 2596 2598 2600 2602 CONECT 2597 2599 2601 2602 CONECT 2598 2596 CONECT 2599 2597 CONECT 2600 2596 CONECT 2601 2597 CONECT 2602 2596 2597 2603 CONECT 2603 2602 2604 2605 2609 CONECT 2604 2603 CONECT 2605 2603 2606 CONECT 2606 2605 2607 2608 CONECT 2607 2606 CONECT 2608 2606 CONECT 2609 2603 2610 2611 CONECT 2610 2609 CONECT 2611 2609 CONECT 2612 2613 2614 2615 CONECT 2613 2612 CONECT 2614 2612 CONECT 2615 2612 2616 CONECT 2616 2615 2617 2618 2622 CONECT 2617 2616 CONECT 2618 2616 2619 CONECT 2619 2618 2620 2621 CONECT 2620 2619 CONECT 2621 2619 CONECT 2622 2616 2623 2624 CONECT 2623 2622 CONECT 2624 2622 CONECT 2625 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 2634 CONECT 2634 2633 2635 CONECT 2635 2634 CONECT 2636 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 2640 CONECT 2640 2639 2641 CONECT 2641 2640 2642 CONECT 2642 2641 2643 CONECT 2643 2642 2644 CONECT 2644 2643 2645 CONECT 2645 2644 2646 CONECT 2646 2645 2647 CONECT 2647 2646 2648 CONECT 2648 2647 2649 CONECT 2649 2648 2650 CONECT 2650 2649 2651 CONECT 2651 2650 CONECT 2652 2653 CONECT 2653 2652 2654 CONECT 2654 2653 2655 CONECT 2655 2654 2656 CONECT 2656 2655 2657 CONECT 2657 2656 2658 CONECT 2658 2657 2659 CONECT 2659 2658 2660 CONECT 2660 2659 2661 CONECT 2661 2660 2662 CONECT 2662 2661 2663 CONECT 2663 2662 2664 CONECT 2664 2663 CONECT 2696 2582 CONECT 2799 2582 MASTER 426 0 8 11 14 0 21 6 3069 2 97 27 END
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Protein Sequence Similarity
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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RCSB PDB
PDBbind
64-mer
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64-mer
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PDBbind
64-mer
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64-mer
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PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
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RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y33
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=1.7nM
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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