Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 30-NOV-04 1Y48 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 R65A 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: PCI2R65A 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 1Y48 1 REMARK REVDAT 2 24-FEB-09 1Y48 1 VERSN REVDAT 1 17-MAY-05 1Y48 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. 1.84 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) : 1.84 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 40315 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) : 0.157 REMARK 3 R VALUE (WORKING SET) : 0.155 REMARK 3 FREE R VALUE : 0.196 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2103 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) : 1.84 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.89 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2897 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2620 REMARK 3 BIN FREE R VALUE SET COUNT : 159 REMARK 3 BIN FREE R VALUE : 0.2730 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2497 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 77 REMARK 3 SOLVENT ATOMS : 469 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.66 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.44000 REMARK 3 B22 (A**2) : 0.44000 REMARK 3 B33 (A**2) : -0.67000 REMARK 3 B12 (A**2) : 0.22000 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): 0.097 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.102 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.067 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.270 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.965 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.944 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2683 ; 0.023 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3641 ; 1.878 ; 1.958 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 345 ; 5.945 ; 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): 406 ; 0.145 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2025 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1410 ; 0.225 ; 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): 418 ; 0.183 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 6 ; 0.057 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 33 ; 0.445 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 47 ; 0.266 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1715 ; 0.988 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2765 ; 1.588 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 968 ; 2.769 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 875 ; 4.548 ; 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 1Y48 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-04. REMARK 100 THE DEPOSITION ID IS D_1000031095. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-JAN-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40315 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.840 REMARK 200 RESOLUTION RANGE LOW (A) : 81.650 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 4.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.09400 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.1000 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, MACROSEEDED, TEMPERATURE REMARK 280 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 123.49867 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 61.74933 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 92.62400 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 30.87467 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 154.37333 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 123.49867 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 61.74933 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 30.87467 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 92.62400 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 154.37333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2460 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13070 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5900 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 25160 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -47.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 -0.866025 0.000000 93.75100 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 162.38150 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 30.87467 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 MET I 20 N CA CB CG SD CE REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLN I 47 O HOH I 155 2.10 REMARK 500 O HOH E 5092 O HOH E 5278 2.12 REMARK 500 O HOH E 5221 O HOH E 5313 2.16 REMARK 500 CG2 VAL I 53 NE2 GLN I 78 2.16 REMARK 500 O HOH E 5071 O HOH E 5336 2.16 REMARK 500 OXT HIS E 281 O HOH E 5079 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH E 5306 O HOH E 5306 9765 1.62 REMARK 500 C7 15P E 5001 C7 15P E 5001 9765 1.74 REMARK 500 O HOH E 5322 O HOH E 5322 10775 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP E 259 CB - CG - OD2 ANGL. DEV. = 5.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP E 32 -150.92 -170.93 REMARK 500 SER E 63 -24.35 106.45 REMARK 500 ALA E 73 24.59 -155.01 REMARK 500 ASN E 77 -158.30 -162.86 REMARK 500 LEU E 257 -125.64 -116.64 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 15P E 5001 REMARK 610 15P E 5002 REMARK 610 15P E 5003 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E1001 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 157.3 REMARK 620 3 ASP E 41 OD2 153.2 47.6 REMARK 620 4 LEU E 75 O 75.4 88.6 108.4 REMARK 620 5 ASN E 77 OD1 81.5 82.9 124.1 91.5 REMARK 620 6 ILE E 79 O 96.3 96.5 83.2 167.7 78.1 REMARK 620 7 VAL E 81 O 86.1 111.1 67.4 92.5 165.6 96.1 REMARK 620 N 1 2 3 4 5 6 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 93.0 REMARK 620 3 VAL E 174 O 109.0 87.8 REMARK 620 4 HOH E5142 O 104.6 87.9 146.3 REMARK 620 5 HOH E5036 O 107.6 158.9 81.0 91.5 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CIT E 2003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5003 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Y1K RELATED DB: PDB REMARK 900 RELATED ID: 1Y33 RELATED DB: PDB REMARK 900 RELATED ID: 1Y34 RELATED DB: PDB REMARK 900 RELATED ID: 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: 1Y4A RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y48 E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y48 I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y48 HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y48 HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y48 HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y48 HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y48 HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y48 HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y48 MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y48 ALA I 65 UNP Q40059 ARG 66 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 MET GLU TYR ARG ILE ASP ALA VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1001 1 HET NA E1002 1 HET CIT E2001 13 HET CIT E2002 16 HET CIT E2003 13 HET 15P E5001 11 HET 15P E5002 13 HET 15P E5003 12 HETNAM CA CALCIUM ION HETNAM NA SODIUM ION HETNAM CIT CITRIC ACID HETNAM 15P POLYETHYLENE GLYCOL (N=34) HETSYN 15P PEG 1500 FORMUL 3 CA CA 2+ FORMUL 4 NA NA 1+ FORMUL 5 CIT 3(C6 H8 O7) FORMUL 8 15P 3(C69 H140 O35) FORMUL 11 HOH *469(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 TYR E 104 ASN E 117 1 14 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O SER E 89 SHEET 4 A 7 VAL E 121 MET E 124 1 O VAL E 121 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O VAL E 198 N GLY E 178 SHEET 1 B 3 SER E 101 GLN E 103 0 SHEET 2 B 3 THR I 55 THR I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O LEU I 68 N ILE I 49 SHEET 3 D 3 VAL I 82 GLY I 83 -1 O GLY I 83 N ALA I 65 LINK OE1 GLN E 2 CA CA E1001 1555 1555 2.44 LINK OD1 ASP E 41 CA CA E1001 1555 1555 2.44 LINK OD2 ASP E 41 CA CA E1001 1555 1555 2.78 LINK O LEU E 75 CA CA E1001 1555 1555 2.37 LINK OD1 ASN E 77 CA CA E1001 1555 1555 2.44 LINK O ILE E 79 CA CA E1001 1555 1555 2.41 LINK O VAL E 81 CA CA E1001 1555 1555 2.38 LINK O GLY E 169 NA NA E1002 1555 1555 2.32 LINK O TYR E 171 NA NA E1002 1555 1555 2.36 LINK O VAL E 174 NA NA E1002 1555 1555 2.34 LINK NA NA E1002 O HOH E5142 1555 1555 2.47 LINK NA NA E1002 O HOH E5036 1555 1555 2.46 CISPEP 1 TYR E 167 PRO E 168 0 6.98 SITE 1 AC1 6 GLN E 2 ASP E 41 LEU E 75 ASN E 77 SITE 2 AC1 6 ILE E 79 VAL E 81 SITE 1 AC2 5 GLY E 169 TYR E 171 VAL E 174 HOH E5036 SITE 2 AC2 5 HOH E5142 SITE 1 AC3 13 ALA E 1 TYR E 21 LYS E 237 HIS E 238 SITE 2 AC3 13 ASN E 240 TRP E 241 HIS E 276 CIT E2002 SITE 3 AC3 13 HOH E5032 HOH E5086 HOH E5123 HOH E5319 SITE 4 AC3 13 HOH E5379 SITE 1 AC4 12 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 12 HOH E5064 HOH E5086 HOH E5231 HOH E5290 SITE 3 AC4 12 HOH E5302 HOH E5319 HOH E5379 HOH E5380 SITE 1 AC5 11 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 11 HOH E5039 HOH E5065 HOH E5090 HOH E5126 SITE 3 AC5 11 HOH E5189 HOH E5216 HOH E5275 SITE 1 AC6 4 HIS E 17 THR E 22 ASN E 76 HOH E5316 SITE 1 AC7 6 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC7 6 GLY E 146 HOH E5111 SITE 1 AC8 5 SER E 37 VAL E 44 ALA E 45 PHE E 58 SITE 2 AC8 5 HOH E5320 CRYST1 93.751 93.751 185.248 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 0.010667 0.006158 0.000000 0.00000 SCALE2 0.000000 0.012317 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005398 0.00000 ATOM 1 N ALA E 1 48.988 50.906 36.514 1.00 14.02 N ATOM 2 CA ALA E 1 50.436 50.909 36.131 1.00 13.61 C ATOM 3 C ALA E 1 50.444 50.752 34.597 1.00 14.03 C ATOM 4 O ALA E 1 49.600 50.055 34.011 1.00 13.53 O ATOM 5 CB ALA E 1 51.182 49.726 36.763 1.00 14.25 C ATOM 6 N GLN E 2 51.388 51.394 33.967 1.00 12.16 N ATOM 7 CA GLN E 2 51.617 51.183 32.527 1.00 11.72 C ATOM 8 C GLN E 2 52.456 49.925 32.304 1.00 11.62 C ATOM 9 O GLN E 2 53.301 49.568 33.144 1.00 12.49 O ATOM 10 CB GLN E 2 52.322 52.429 31.995 1.00 10.82 C ATOM 11 CG GLN E 2 52.810 52.369 30.531 1.00 11.33 C ATOM 12 CD GLN E 2 53.333 53.743 30.175 1.00 12.58 C ATOM 13 OE1 GLN E 2 52.560 54.591 29.715 1.00 12.28 O ATOM 14 NE2 GLN E 2 54.598 54.015 30.550 1.00 9.31 N ATOM 15 N SER E 3 52.214 49.247 31.169 1.00 12.31 N ATOM 16 CA SER E 3 53.040 48.122 30.708 1.00 11.55 C ATOM 17 C SER E 3 53.772 48.508 29.415 1.00 11.01 C ATOM 18 O SER E 3 53.216 49.215 28.584 1.00 10.69 O ATOM 19 CB SER E 3 52.145 46.882 30.414 1.00 12.28 C ATOM 20 OG ASER E 3 50.842 47.210 30.024 0.33 14.41 O ATOM 21 OG BSER E 3 52.891 45.762 29.989 0.33 11.52 O ATOM 22 OG CSER E 3 51.313 46.618 31.532 0.33 7.32 O ATOM 23 N VAL E 4 54.975 47.993 29.227 1.00 10.92 N ATOM 24 CA VAL E 4 55.737 48.238 28.000 1.00 11.44 C ATOM 25 C VAL E 4 55.654 46.955 27.170 1.00 11.06 C ATOM 26 O VAL E 4 56.234 45.917 27.579 1.00 11.32 O ATOM 27 CB VAL E 4 57.225 48.565 28.305 1.00 12.04 C ATOM 28 CG1 VAL E 4 57.950 48.860 26.986 1.00 13.11 C ATOM 29 CG2 VAL E 4 57.294 49.782 29.277 1.00 11.64 C ATOM 30 N PRO E 5 54.888 46.958 26.077 1.00 10.66 N ATOM 31 CA PRO E 5 54.752 45.734 25.269 1.00 11.50 C ATOM 32 C PRO E 5 56.137 45.248 24.826 1.00 11.76 C ATOM 33 O PRO E 5 57.080 46.059 24.638 1.00 11.88 O ATOM 34 CB PRO E 5 53.898 46.198 24.062 1.00 12.31 C ATOM 35 CG PRO E 5 53.155 47.495 24.571 1.00 13.15 C ATOM 36 CD PRO E 5 54.123 48.096 25.537 1.00 11.61 C ATOM 37 N TYR E 6 56.301 43.940 24.729 1.00 10.44 N ATOM 38 CA TYR E 6 57.636 43.356 24.498 1.00 11.71 C ATOM 39 C TYR E 6 58.311 43.948 23.242 1.00 11.03 C ATOM 40 O TYR E 6 59.544 44.163 23.219 1.00 10.56 O ATOM 41 CB TYR E 6 57.543 41.811 24.424 1.00 12.25 C ATOM 42 CG TYR E 6 57.185 41.286 23.003 1.00 12.46 C ATOM 43 CD1 TYR E 6 58.160 41.164 21.995 1.00 14.57 C ATOM 44 CD2 TYR E 6 55.865 40.935 22.692 1.00 12.13 C ATOM 45 CE1 TYR E 6 57.830 40.686 20.734 1.00 14.01 C ATOM 46 CE2 TYR E 6 55.538 40.484 21.463 1.00 12.05 C ATOM 47 CZ TYR E 6 56.514 40.321 20.496 1.00 13.98 C ATOM 48 OH TYR E 6 56.146 39.864 19.264 1.00 16.37 O ATOM 49 N GLY E 7 57.493 44.245 22.219 1.00 11.49 N ATOM 50 CA GLY E 7 58.000 44.734 20.939 1.00 10.09 C ATOM 51 C GLY E 7 58.702 46.104 21.072 1.00 10.99 C ATOM 52 O GLY E 7 59.705 46.366 20.394 1.00 11.26 O ATOM 53 N VAL E 8 58.198 46.957 21.966 1.00 10.02 N ATOM 54 CA VAL E 8 58.804 48.269 22.164 1.00 10.30 C ATOM 55 C VAL E 8 60.234 48.059 22.765 1.00 11.32 C ATOM 56 O VAL E 8 61.220 48.713 22.335 1.00 10.46 O ATOM 57 CB VAL E 8 57.888 49.157 23.098 1.00 10.57 C ATOM 58 CG1 VAL E 8 58.563 50.501 23.476 1.00 10.73 C ATOM 59 CG2 VAL E 8 56.537 49.394 22.406 1.00 9.02 C ATOM 60 N SER E 9 60.346 47.138 23.729 1.00 9.09 N ATOM 61 CA SER E 9 61.670 46.844 24.303 1.00 12.17 C ATOM 62 C SER E 9 62.568 46.166 23.303 1.00 10.97 C ATOM 63 O SER E 9 63.783 46.427 23.240 1.00 13.13 O ATOM 64 CB SER E 9 61.490 45.945 25.576 1.00 11.88 C ATOM 65 OG SER E 9 60.710 46.693 26.505 1.00 15.95 O ATOM 66 N GLN E 10 61.968 45.297 22.490 1.00 10.99 N ATOM 67 CA GLN E 10 62.776 44.513 21.527 1.00 12.78 C ATOM 68 C GLN E 10 63.531 45.364 20.483 1.00 13.44 C ATOM 69 O GLN E 10 64.689 45.013 20.087 1.00 13.52 O ATOM 70 CB GLN E 10 61.867 43.483 20.793 1.00 12.11 C ATOM 71 CG GLN E 10 62.651 42.439 20.016 1.00 12.80 C ATOM 72 CD GLN E 10 61.774 41.197 19.667 1.00 19.09 C ATOM 73 OE1 GLN E 10 60.908 40.816 20.447 1.00 20.51 O ATOM 74 NE2 GLN E 10 61.988 40.613 18.484 1.00 17.16 N ATOM 75 N ILE E 11 62.903 46.447 20.027 1.00 11.90 N ATOM 76 CA ILE E 11 63.560 47.313 19.045 1.00 12.19 C ATOM 77 C ILE E 11 64.460 48.367 19.745 1.00 12.52 C ATOM 78 O ILE E 11 65.019 49.242 19.073 1.00 12.88 O ATOM 79 CB ILE E 11 62.528 47.996 18.123 1.00 12.34 C ATOM 80 CG1 ILE E 11 61.665 49.009 18.936 1.00 11.74 C ATOM 81 CG2 ILE E 11 61.670 46.927 17.366 1.00 10.72 C ATOM 82 CD1 ILE E 11 60.882 50.014 18.020 1.00 10.89 C ATOM 83 N LYS E 12 64.565 48.270 21.072 1.00 12.00 N ATOM 84 CA LYS E 12 65.398 49.140 21.934 1.00 11.93 C ATOM 85 C LYS E 12 64.897 50.583 21.997 1.00 10.96 C ATOM 86 O LYS E 12 65.680 51.534 22.235 1.00 11.46 O ATOM 87 CB LYS E 12 66.930 49.036 21.626 1.00 12.86 C ATOM 88 CG LYS E 12 67.429 47.551 21.692 1.00 15.88 C ATOM 89 CD LYS E 12 68.915 47.385 21.371 1.00 21.39 C ATOM 90 CE LYS E 12 69.406 45.882 21.451 1.00 23.10 C ATOM 91 NZ LYS E 12 68.747 45.096 22.595 1.00 28.03 N ATOM 92 N ALA E 13 63.594 50.777 21.836 1.00 9.94 N ATOM 93 CA ALA E 13 63.084 52.134 22.052 1.00 9.35 C ATOM 94 C ALA E 13 63.375 52.679 23.473 1.00 10.14 C ATOM 95 O ALA E 13 63.608 53.879 23.595 1.00 11.15 O ATOM 96 CB ALA E 13 61.547 52.233 21.736 1.00 8.63 C ATOM 97 N PRO E 14 63.279 51.884 24.555 1.00 11.93 N ATOM 98 CA PRO E 14 63.557 52.448 25.903 1.00 10.93 C ATOM 99 C PRO E 14 64.970 53.125 26.003 1.00 12.40 C ATOM 100 O PRO E 14 65.141 54.053 26.826 1.00 12.97 O ATOM 101 CB PRO E 14 63.495 51.212 26.812 1.00 13.59 C ATOM 102 CG PRO E 14 62.303 50.402 26.171 1.00 11.28 C ATOM 103 CD PRO E 14 62.810 50.472 24.631 1.00 9.11 C ATOM 104 N ALA E 15 65.960 52.678 25.230 1.00 12.28 N ATOM 105 CA ALA E 15 67.259 53.403 25.207 1.00 12.82 C ATOM 106 C ALA E 15 67.096 54.853 24.758 1.00 13.98 C ATOM 107 O ALA E 15 67.714 55.743 25.356 1.00 15.04 O ATOM 108 CB ALA E 15 68.299 52.685 24.369 1.00 13.11 C ATOM 109 N LEU E 16 66.264 55.101 23.749 1.00 12.52 N ATOM 110 CA LEU E 16 66.012 56.483 23.315 1.00 12.68 C ATOM 111 C LEU E 16 65.244 57.233 24.406 1.00 11.82 C ATOM 112 O LEU E 16 65.557 58.393 24.705 1.00 11.97 O ATOM 113 CB LEU E 16 65.190 56.546 22.007 1.00 12.10 C ATOM 114 CG LEU E 16 65.975 56.535 20.677 1.00 14.01 C ATOM 115 CD1 LEU E 16 66.612 57.958 20.432 1.00 12.27 C ATOM 116 CD2 LEU E 16 67.085 55.424 20.709 1.00 14.68 C ATOM 117 N HIS E 17 64.230 56.575 24.986 1.00 11.84 N ATOM 118 CA HIS E 17 63.437 57.218 26.033 1.00 11.07 C ATOM 119 C HIS E 17 64.355 57.635 27.173 1.00 11.43 C ATOM 120 O HIS E 17 64.185 58.741 27.690 1.00 12.65 O ATOM 121 CB HIS E 17 62.371 56.255 26.584 1.00 10.41 C ATOM 122 CG HIS E 17 61.384 55.831 25.537 1.00 12.96 C ATOM 123 ND1 HIS E 17 60.446 54.857 25.775 1.00 11.42 N ATOM 124 CD2 HIS E 17 61.186 56.256 24.260 1.00 9.96 C ATOM 125 CE1 HIS E 17 59.720 54.676 24.681 1.00 15.62 C ATOM 126 NE2 HIS E 17 60.146 55.514 23.746 1.00 10.95 N ATOM 127 N SER E 18 65.325 56.793 27.528 1.00 12.35 N ATOM 128 CA SER E 18 66.234 57.105 28.653 1.00 11.76 C ATOM 129 C SER E 18 67.150 58.270 28.306 1.00 11.58 C ATOM 130 O SER E 18 67.554 59.018 29.194 1.00 10.91 O ATOM 131 CB SER E 18 67.117 55.890 29.073 1.00 11.00 C ATOM 132 OG ASER E 18 66.342 54.861 29.633 0.67 12.40 O ATOM 133 OG BSER E 18 67.956 55.444 28.062 0.33 11.29 O ATOM 134 N GLN E 19 67.485 58.417 27.014 1.00 11.29 N ATOM 135 CA GLN E 19 68.258 59.587 26.555 1.00 10.95 C ATOM 136 C GLN E 19 67.437 60.870 26.533 1.00 11.93 C ATOM 137 O GLN E 19 68.049 61.965 26.447 1.00 12.76 O ATOM 138 CB GLN E 19 68.802 59.357 25.125 1.00 10.31 C ATOM 139 CG GLN E 19 69.854 58.175 24.992 1.00 10.92 C ATOM 140 CD GLN E 19 70.132 57.878 23.483 1.00 17.16 C ATOM 141 OE1 GLN E 19 70.210 58.806 22.738 1.00 18.52 O ATOM 142 NE2 GLN E 19 70.184 56.583 23.044 1.00 16.61 N ATOM 143 N GLY E 20 66.100 60.750 26.670 1.00 12.20 N ATOM 144 CA GLY E 20 65.177 61.883 26.739 1.00 12.55 C ATOM 145 C GLY E 20 64.442 62.150 25.425 1.00 12.50 C ATOM 146 O GLY E 20 63.873 63.232 25.230 1.00 14.32 O ATOM 147 N TYR E 21 64.460 61.168 24.512 1.00 11.17 N ATOM 148 CA TYR E 21 63.846 61.317 23.167 1.00 9.78 C ATOM 149 C TYR E 21 62.663 60.400 22.974 1.00 10.46 C ATOM 150 O TYR E 21 62.756 59.192 23.260 1.00 10.63 O ATOM 151 CB TYR E 21 64.905 61.092 22.047 1.00 9.24 C ATOM 152 CG TYR E 21 65.968 62.161 22.145 1.00 10.58 C ATOM 153 CD1 TYR E 21 65.655 63.497 21.862 1.00 12.20 C ATOM 154 CD2 TYR E 21 67.292 61.834 22.525 1.00 12.58 C ATOM 155 CE1 TYR E 21 66.596 64.485 21.981 1.00 14.73 C ATOM 156 CE2 TYR E 21 68.279 62.849 22.663 1.00 12.98 C ATOM 157 CZ TYR E 21 67.889 64.166 22.402 1.00 12.78 C ATOM 158 OH TYR E 21 68.793 65.169 22.455 1.00 16.04 O ATOM 159 N THR E 22 61.511 60.988 22.636 1.00 11.06 N ATOM 160 CA THR E 22 60.224 60.277 22.657 1.00 9.53 C ATOM 161 C THR E 22 59.392 60.654 21.418 1.00 10.16 C ATOM 162 O THR E 22 58.244 60.309 21.368 1.00 8.91 O ATOM 163 CB THR E 22 59.366 60.636 23.908 1.00 11.33 C ATOM 164 OG1 THR E 22 59.302 62.068 24.044 1.00 11.98 O ATOM 165 CG2 THR E 22 59.994 60.098 25.206 1.00 12.85 C ATOM 166 N GLY E 23 59.985 61.298 20.410 1.00 10.33 N ATOM 167 CA GLY E 23 59.229 61.650 19.207 1.00 11.63 C ATOM 168 C GLY E 23 58.578 63.030 19.268 1.00 12.37 C ATOM 169 O GLY E 23 57.707 63.339 18.438 1.00 12.07 O ATOM 170 N SER E 24 58.985 63.862 20.235 1.00 12.06 N ATOM 171 CA SER E 24 58.317 65.176 20.412 1.00 13.86 C ATOM 172 C SER E 24 58.412 66.015 19.169 1.00 14.03 C ATOM 173 O SER E 24 59.472 66.085 18.548 1.00 14.11 O ATOM 174 CB SER E 24 59.005 65.985 21.487 1.00 13.65 C ATOM 175 OG ASER E 24 58.749 65.446 22.730 0.67 11.84 O ATOM 176 OG BSER E 24 58.154 67.082 21.823 0.33 13.70 O ATOM 177 N ASN E 25 57.305 66.619 18.799 1.00 16.15 N ATOM 178 CA ASN E 25 57.241 67.514 17.631 1.00 18.04 C ATOM 179 C ASN E 25 57.445 66.813 16.302 1.00 17.18 C ATOM 180 O ASN E 25 57.668 67.466 15.275 1.00 18.79 O ATOM 181 CB ASN E 25 58.213 68.687 17.778 1.00 19.43 C ATOM 182 CG ASN E 25 57.934 69.458 19.032 1.00 26.84 C ATOM 183 OD1 ASN E 25 56.766 69.732 19.341 1.00 35.37 O ATOM 184 ND2 ASN E 25 58.967 69.769 19.788 1.00 33.38 N ATOM 185 N VAL E 26 57.353 65.494 16.288 1.00 15.13 N ATOM 186 CA VAL E 26 57.437 64.821 15.005 1.00 13.42 C ATOM 187 C VAL E 26 56.001 64.445 14.600 1.00 14.57 C ATOM 188 O VAL E 26 55.258 63.884 15.390 1.00 13.57 O ATOM 189 CB VAL E 26 58.294 63.528 15.084 1.00 15.13 C ATOM 190 CG1 VAL E 26 58.307 62.799 13.664 1.00 12.75 C ATOM 191 CG2 VAL E 26 59.698 63.887 15.578 1.00 12.17 C ATOM 192 N LYS E 27 55.628 64.741 13.371 1.00 13.56 N ATOM 193 CA LYS E 27 54.223 64.541 12.967 1.00 14.74 C ATOM 194 C LYS E 27 54.174 63.215 12.228 1.00 14.42 C ATOM 195 O LYS E 27 54.819 63.086 11.190 1.00 13.27 O ATOM 196 CB LYS E 27 53.812 65.641 12.002 1.00 13.55 C ATOM 197 CG LYS E 27 53.834 67.017 12.697 1.00 14.72 C ATOM 198 CD LYS E 27 53.362 68.071 11.687 1.00 20.72 C ATOM 199 CE LYS E 27 53.133 69.401 12.378 1.00 26.60 C ATOM 200 NZ LYS E 27 54.485 70.034 12.496 1.00 32.12 N ATOM 201 N VAL E 28 53.353 62.303 12.751 1.00 13.84 N ATOM 202 CA VAL E 28 53.179 60.964 12.164 1.00 12.92 C ATOM 203 C VAL E 28 51.705 60.771 11.733 1.00 12.84 C ATOM 204 O VAL E 28 50.781 60.810 12.558 1.00 12.99 O ATOM 205 CB VAL E 28 53.577 59.846 13.167 1.00 12.12 C ATOM 206 CG1 VAL E 28 53.466 58.427 12.478 1.00 11.98 C ATOM 207 CG2 VAL E 28 55.011 60.092 13.727 1.00 10.27 C ATOM 208 N ALA E 29 51.524 60.478 10.441 1.00 12.29 N ATOM 209 CA ALA E 29 50.209 60.213 9.899 1.00 12.08 C ATOM 210 C ALA E 29 50.025 58.688 9.919 1.00 12.44 C ATOM 211 O ALA E 29 50.793 57.965 9.272 1.00 13.22 O ATOM 212 CB ALA E 29 50.098 60.771 8.414 1.00 12.13 C ATOM 213 N VAL E 30 49.033 58.225 10.661 1.00 12.18 N ATOM 214 CA VAL E 30 48.584 56.833 10.579 1.00 11.36 C ATOM 215 C VAL E 30 47.499 56.794 9.493 1.00 12.01 C ATOM 216 O VAL E 30 46.357 57.229 9.707 1.00 12.28 O ATOM 217 CB VAL E 30 48.076 56.323 11.935 1.00 13.54 C ATOM 218 CG1 VAL E 30 47.536 54.873 11.846 1.00 11.34 C ATOM 219 CG2 VAL E 30 49.256 56.395 12.965 1.00 12.03 C ATOM 220 N ILE E 31 47.886 56.320 8.323 1.00 11.29 N ATOM 221 CA ILE E 31 46.963 56.310 7.178 1.00 11.73 C ATOM 222 C ILE E 31 46.301 54.929 7.255 1.00 12.69 C ATOM 223 O ILE E 31 46.955 53.899 7.049 1.00 11.80 O ATOM 224 CB ILE E 31 47.751 56.522 5.888 1.00 12.28 C ATOM 225 CG1 ILE E 31 48.411 57.941 5.884 1.00 12.22 C ATOM 226 CG2 ILE E 31 46.824 56.262 4.610 1.00 11.91 C ATOM 227 CD1 ILE E 31 49.026 58.350 4.440 1.00 12.12 C ATOM 228 N ASP E 32 45.035 54.923 7.635 1.00 11.64 N ATOM 229 CA ASP E 32 44.465 53.695 8.161 1.00 12.43 C ATOM 230 C ASP E 32 42.935 53.842 8.328 1.00 13.86 C ATOM 231 O ASP E 32 42.282 54.626 7.616 1.00 14.21 O ATOM 232 CB ASP E 32 45.121 53.379 9.538 1.00 12.13 C ATOM 233 CG ASP E 32 45.276 51.862 9.801 1.00 13.89 C ATOM 234 OD1 ASP E 32 44.225 51.192 9.932 1.00 13.45 O ATOM 235 OD2 ASP E 32 46.411 51.293 9.906 1.00 13.81 O ATOM 236 N SER E 33 42.370 53.116 9.295 1.00 12.56 N ATOM 237 CA SER E 33 40.925 53.062 9.466 1.00 13.87 C ATOM 238 C SER E 33 40.367 54.121 10.414 1.00 14.47 C ATOM 239 O SER E 33 39.214 53.995 10.879 1.00 14.11 O ATOM 240 CB SER E 33 40.532 51.640 9.937 1.00 13.93 C ATOM 241 OG SER E 33 40.814 51.435 11.337 1.00 15.98 O ATOM 242 N GLY E 34 41.182 55.149 10.715 1.00 14.34 N ATOM 243 CA GLY E 34 40.805 56.177 11.703 1.00 14.13 C ATOM 244 C GLY E 34 41.577 55.875 13.021 1.00 15.54 C ATOM 245 O GLY E 34 42.310 54.885 13.113 1.00 14.64 O ATOM 246 N ILE E 35 41.415 56.735 14.024 1.00 14.27 N ATOM 247 CA ILE E 35 41.996 56.498 15.336 1.00 14.19 C ATOM 248 C ILE E 35 40.952 56.923 16.344 1.00 14.94 C ATOM 249 O ILE E 35 40.427 58.022 16.247 1.00 14.96 O ATOM 250 CB ILE E 35 43.267 57.397 15.574 1.00 12.53 C ATOM 251 CG1 ILE E 35 44.350 57.183 14.492 1.00 13.53 C ATOM 252 CG2 ILE E 35 43.856 57.080 16.973 1.00 13.23 C ATOM 253 CD1 ILE E 35 45.611 58.062 14.723 1.00 11.33 C ATOM 254 N ASP E 36 40.683 56.092 17.334 1.00 14.80 N ATOM 255 CA ASP E 36 39.755 56.499 18.387 1.00 16.00 C ATOM 256 C ASP E 36 40.415 57.518 19.339 1.00 17.34 C ATOM 257 O ASP E 36 41.130 57.162 20.285 1.00 16.26 O ATOM 258 CB ASP E 36 39.265 55.273 19.127 1.00 15.76 C ATOM 259 CG ASP E 36 38.320 55.602 20.288 1.00 19.59 C ATOM 260 OD1 ASP E 36 37.888 56.776 20.486 1.00 19.99 O ATOM 261 OD2 ASP E 36 38.018 54.719 21.096 1.00 23.58 O ATOM 262 N SER E 37 40.091 58.784 19.108 1.00 17.77 N ATOM 263 CA SER E 37 40.737 59.904 19.818 1.00 20.14 C ATOM 264 C SER E 37 40.260 59.997 21.259 1.00 19.42 C ATOM 265 O SER E 37 40.926 60.651 22.054 1.00 21.86 O ATOM 266 CB SER E 37 40.460 61.238 19.117 1.00 20.08 C ATOM 267 OG SER E 37 39.066 61.531 19.174 1.00 22.98 O ATOM 268 N SER E 38 39.141 59.353 21.592 1.00 17.35 N ATOM 269 CA SER E 38 38.685 59.305 22.994 1.00 16.94 C ATOM 270 C SER E 38 39.462 58.333 23.901 1.00 16.10 C ATOM 271 O SER E 38 39.221 58.288 25.100 1.00 16.65 O ATOM 272 CB SER E 38 37.187 58.939 23.077 1.00 16.04 C ATOM 273 OG ASER E 38 36.991 57.590 22.732 0.50 16.57 O ATOM 274 OG BSER E 38 36.389 59.987 22.520 0.50 14.93 O ATOM 275 N HIS E 39 40.294 57.474 23.328 1.00 14.81 N ATOM 276 CA HIS E 39 41.065 56.539 24.137 1.00 14.04 C ATOM 277 C HIS E 39 41.985 57.388 25.086 1.00 13.75 C ATOM 278 O HIS E 39 42.719 58.243 24.613 1.00 12.84 O ATOM 279 CB HIS E 39 41.964 55.677 23.242 1.00 13.90 C ATOM 280 CG HIS E 39 42.381 54.390 23.915 1.00 13.87 C ATOM 281 ND1 HIS E 39 43.179 54.375 25.034 1.00 11.66 N ATOM 282 CD2 HIS E 39 42.037 53.103 23.678 1.00 9.50 C ATOM 283 CE1 HIS E 39 43.322 53.127 25.455 1.00 13.44 C ATOM 284 NE2 HIS E 39 42.650 52.333 24.632 1.00 12.80 N ATOM 285 N PRO E 40 41.991 57.100 26.374 1.00 14.88 N ATOM 286 CA PRO E 40 42.794 57.902 27.292 1.00 14.62 C ATOM 287 C PRO E 40 44.278 57.625 27.150 1.00 14.54 C ATOM 288 O PRO E 40 45.055 58.415 27.667 1.00 13.47 O ATOM 289 CB PRO E 40 42.303 57.473 28.682 1.00 15.43 C ATOM 290 CG PRO E 40 41.817 56.108 28.503 1.00 16.94 C ATOM 291 CD PRO E 40 41.234 56.047 27.083 1.00 14.42 C ATOM 292 N ASP E 41 44.673 56.573 26.439 1.00 12.64 N ATOM 293 CA ASP E 41 46.112 56.351 26.234 1.00 12.95 C ATOM 294 C ASP E 41 46.595 56.822 24.879 1.00 12.72 C ATOM 295 O ASP E 41 47.688 56.448 24.445 1.00 12.61 O ATOM 296 CB ASP E 41 46.433 54.862 26.433 1.00 12.54 C ATOM 297 CG ASP E 41 47.842 54.650 27.009 1.00 14.29 C ATOM 298 OD1 ASP E 41 48.356 55.561 27.657 1.00 12.30 O ATOM 299 OD2 ASP E 41 48.456 53.573 26.907 1.00 12.57 O ATOM 300 N LEU E 42 45.785 57.650 24.197 1.00 13.04 N ATOM 301 CA LEU E 42 46.249 58.253 22.942 1.00 14.53 C ATOM 302 C LEU E 42 45.975 59.737 22.988 1.00 14.66 C ATOM 303 O LEU E 42 44.976 60.180 23.570 1.00 15.35 O ATOM 304 CB LEU E 42 45.479 57.649 21.711 1.00 14.61 C ATOM 305 CG LEU E 42 45.668 56.153 21.458 1.00 13.31 C ATOM 306 CD1 LEU E 42 44.737 55.648 20.333 1.00 11.71 C ATOM 307 CD2 LEU E 42 47.099 55.856 21.080 1.00 10.78 C ATOM 308 N LYS E 43 46.795 60.499 22.286 1.00 13.99 N ATOM 309 CA LYS E 43 46.480 61.891 22.020 1.00 14.72 C ATOM 310 C LYS E 43 46.531 62.136 20.509 1.00 15.20 C ATOM 311 O LYS E 43 47.586 62.023 19.874 1.00 17.15 O ATOM 312 CB LYS E 43 47.520 62.778 22.702 1.00 14.15 C ATOM 313 CG LYS E 43 47.195 64.314 22.502 1.00 18.74 C ATOM 314 CD LYS E 43 48.263 65.132 23.249 1.00 27.26 C ATOM 315 CE LYS E 43 47.952 66.635 23.349 1.00 34.07 C ATOM 316 NZ LYS E 43 49.157 67.263 24.046 1.00 37.82 N ATOM 317 N VAL E 44 45.415 62.467 19.909 1.00 14.89 N ATOM 318 CA VAL E 44 45.408 62.654 18.462 1.00 14.70 C ATOM 319 C VAL E 44 45.471 64.145 18.169 1.00 16.79 C ATOM 320 O VAL E 44 44.640 64.911 18.690 1.00 14.88 O ATOM 321 CB VAL E 44 44.160 61.999 17.806 1.00 15.05 C ATOM 322 CG1 VAL E 44 44.160 62.240 16.268 1.00 14.90 C ATOM 323 CG2 VAL E 44 44.088 60.481 18.082 1.00 15.07 C ATOM 324 N ALA E 45 46.430 64.570 17.335 1.00 15.75 N ATOM 325 CA ALA E 45 46.698 66.000 17.144 1.00 16.59 C ATOM 326 C ALA E 45 45.880 66.560 15.973 1.00 17.65 C ATOM 327 O ALA E 45 45.696 67.762 15.873 1.00 17.86 O ATOM 328 CB ALA E 45 48.197 66.197 16.816 1.00 15.14 C ATOM 329 N GLY E 46 45.463 65.722 15.028 1.00 16.34 N ATOM 330 CA GLY E 46 44.656 66.222 13.910 1.00 16.82 C ATOM 331 C GLY E 46 44.391 65.038 12.990 1.00 17.41 C ATOM 332 O GLY E 46 44.676 63.876 13.331 1.00 17.28 O ATOM 333 N GLY E 47 43.914 65.330 11.798 1.00 16.72 N ATOM 334 CA GLY E 47 43.634 64.287 10.830 1.00 17.18 C ATOM 335 C GLY E 47 42.526 64.693 9.867 1.00 17.18 C ATOM 336 O GLY E 47 42.128 65.856 9.824 1.00 16.70 O ATOM 337 N ALA E 48 42.172 63.767 8.997 1.00 16.90 N ATOM 338 CA ALA E 48 41.185 64.020 7.937 1.00 17.56 C ATOM 339 C ALA E 48 40.703 62.666 7.447 1.00 17.94 C ATOM 340 O ALA E 48 41.472 61.695 7.475 1.00 17.51 O ATOM 341 CB ALA E 48 41.819 64.804 6.788 1.00 18.35 C ATOM 342 N SER E 49 39.446 62.587 6.993 1.00 18.59 N ATOM 343 CA SER E 49 38.928 61.341 6.437 1.00 18.05 C ATOM 344 C SER E 49 38.756 61.460 4.932 1.00 19.34 C ATOM 345 O SER E 49 38.116 62.409 4.444 1.00 18.23 O ATOM 346 CB SER E 49 37.578 60.982 7.056 1.00 19.10 C ATOM 347 OG SER E 49 37.063 59.817 6.400 1.00 21.57 O ATOM 348 N MET E 50 39.286 60.491 4.207 1.00 19.08 N ATOM 349 CA MET E 50 39.050 60.365 2.766 1.00 19.76 C ATOM 350 C MET E 50 37.980 59.293 2.424 1.00 20.03 C ATOM 351 O MET E 50 37.841 58.945 1.267 1.00 20.09 O ATOM 352 CB MET E 50 40.349 59.953 2.085 1.00 18.92 C ATOM 353 CG MET E 50 41.579 60.792 2.495 1.00 20.03 C ATOM 354 SD MET E 50 41.290 62.531 2.210 1.00 24.59 S ATOM 355 CE MET E 50 42.176 63.280 3.630 1.00 27.00 C ATOM 356 N VAL E 51 37.308 58.736 3.421 1.00 19.24 N ATOM 357 CA VAL E 51 36.299 57.693 3.195 1.00 22.03 C ATOM 358 C VAL E 51 34.961 58.423 3.040 1.00 22.29 C ATOM 359 O VAL E 51 34.485 59.022 4.011 1.00 21.78 O ATOM 360 CB VAL E 51 36.237 56.668 4.395 1.00 21.04 C ATOM 361 CG1 VAL E 51 35.106 55.615 4.192 1.00 23.25 C ATOM 362 CG2 VAL E 51 37.609 55.960 4.503 1.00 20.39 C ATOM 363 N PRO E 52 34.381 58.408 1.830 1.00 24.36 N ATOM 364 CA PRO E 52 33.178 59.231 1.552 1.00 25.57 C ATOM 365 C PRO E 52 32.020 58.944 2.521 1.00 26.35 C ATOM 366 O PRO E 52 31.331 59.888 2.916 1.00 27.13 O ATOM 367 CB PRO E 52 32.825 58.882 0.089 1.00 26.48 C ATOM 368 CG PRO E 52 34.100 58.285 -0.494 1.00 26.11 C ATOM 369 CD PRO E 52 34.801 57.625 0.654 1.00 23.48 C ATOM 370 N SER E 53 31.820 57.701 2.964 1.00 26.76 N ATOM 371 CA SER E 53 30.713 57.452 3.899 1.00 28.43 C ATOM 372 C SER E 53 31.074 57.376 5.398 1.00 28.31 C ATOM 373 O SER E 53 30.208 57.069 6.246 1.00 27.26 O ATOM 374 CB SER E 53 29.946 56.192 3.532 1.00 30.04 C ATOM 375 OG SER E 53 30.753 55.058 3.777 1.00 34.36 O ATOM 376 N GLU E 54 32.335 57.670 5.741 1.00 27.32 N ATOM 377 CA GLU E 54 32.725 57.739 7.152 1.00 26.06 C ATOM 378 C GLU E 54 33.594 58.989 7.327 1.00 25.83 C ATOM 379 O GLU E 54 34.822 58.915 7.202 1.00 25.24 O ATOM 380 CB GLU E 54 33.502 56.497 7.540 1.00 26.94 C ATOM 381 CG GLU E 54 32.686 55.225 7.605 1.00 27.98 C ATOM 382 CD GLU E 54 33.521 54.016 8.026 1.00 32.09 C ATOM 383 OE1 GLU E 54 34.476 54.178 8.840 1.00 32.83 O ATOM 384 OE2 GLU E 54 33.214 52.892 7.557 1.00 33.05 O ATOM 385 N THR E 55 32.958 60.121 7.608 1.00 23.73 N ATOM 386 CA THR E 55 33.627 61.394 7.485 1.00 24.07 C ATOM 387 C THR E 55 34.403 61.830 8.730 1.00 23.13 C ATOM 388 O THR E 55 35.058 62.879 8.713 1.00 23.63 O ATOM 389 CB THR E 55 32.618 62.526 7.110 1.00 24.94 C ATOM 390 OG1 THR E 55 31.657 62.630 8.157 1.00 26.58 O ATOM 391 CG2 THR E 55 31.817 62.190 5.831 1.00 25.14 C ATOM 392 N ASN E 56 34.305 61.068 9.812 1.00 22.54 N ATOM 393 CA ASN E 56 35.004 61.407 11.042 1.00 20.78 C ATOM 394 C ASN E 56 36.283 60.541 11.185 1.00 19.26 C ATOM 395 O ASN E 56 36.202 59.328 11.415 1.00 18.03 O ATOM 396 CB ASN E 56 34.082 61.212 12.238 1.00 20.49 C ATOM 397 CG ASN E 56 34.686 61.747 13.528 1.00 22.27 C ATOM 398 OD1 ASN E 56 35.861 62.182 13.578 1.00 20.48 O ATOM 399 ND2 ASN E 56 33.906 61.696 14.590 1.00 23.95 N ATOM 400 N PRO E 57 37.469 61.129 11.035 1.00 18.49 N ATOM 401 CA PRO E 57 38.673 60.300 11.143 1.00 18.06 C ATOM 402 C PRO E 57 38.975 59.882 12.595 1.00 18.35 C ATOM 403 O PRO E 57 39.878 59.027 12.801 1.00 17.64 O ATOM 404 CB PRO E 57 39.785 61.223 10.615 1.00 17.46 C ATOM 405 CG PRO E 57 39.278 62.633 11.037 1.00 16.84 C ATOM 406 CD PRO E 57 37.802 62.548 10.776 1.00 17.92 C ATOM 407 N PHE E 58 38.281 60.500 13.567 1.00 18.26 N ATOM 408 CA PHE E 58 38.474 60.242 14.992 1.00 18.19 C ATOM 409 C PHE E 58 37.537 59.183 15.534 1.00 18.62 C ATOM 410 O PHE E 58 37.488 58.922 16.732 1.00 18.78 O ATOM 411 CB PHE E 58 38.391 61.559 15.754 1.00 17.98 C ATOM 412 CG PHE E 58 39.233 62.654 15.119 1.00 20.76 C ATOM 413 CD1 PHE E 58 40.619 62.471 14.927 1.00 18.39 C ATOM 414 CD2 PHE E 58 38.635 63.832 14.644 1.00 22.33 C ATOM 415 CE1 PHE E 58 41.391 63.447 14.328 1.00 20.80 C ATOM 416 CE2 PHE E 58 39.393 64.846 14.032 1.00 22.28 C ATOM 417 CZ PHE E 58 40.787 64.672 13.862 1.00 22.66 C ATOM 418 N GLN E 59 36.854 58.520 14.607 1.00 18.33 N ATOM 419 CA GLN E 59 36.004 57.387 14.905 1.00 19.67 C ATOM 420 C GLN E 59 36.555 56.213 14.105 1.00 19.35 C ATOM 421 O GLN E 59 36.636 56.270 12.854 1.00 20.01 O ATOM 422 CB GLN E 59 34.547 57.694 14.493 1.00 20.76 C ATOM 423 CG GLN E 59 33.614 56.499 14.714 1.00 25.62 C ATOM 424 CD AGLN E 59 32.149 56.872 14.669 0.50 28.31 C ATOM 425 CD BGLN E 59 33.348 56.206 16.171 0.50 28.14 C ATOM 426 OE1AGLN E 59 31.772 58.033 14.904 0.50 30.75 O ATOM 427 OE1BGLN E 59 33.295 57.117 16.992 0.50 31.00 O ATOM 428 NE2AGLN E 59 31.314 55.893 14.361 0.50 28.33 N ATOM 429 NE2BGLN E 59 33.169 54.925 16.502 0.50 31.43 N ATOM 430 N ASP E 60 36.952 55.156 14.820 1.00 17.28 N ATOM 431 CA ASP E 60 37.563 54.027 14.178 1.00 17.11 C ATOM 432 C ASP E 60 36.594 52.860 14.312 1.00 17.44 C ATOM 433 O ASP E 60 36.488 52.244 15.375 1.00 15.26 O ATOM 434 CB ASP E 60 38.921 53.733 14.830 1.00 16.09 C ATOM 435 CG ASP E 60 39.523 52.395 14.361 1.00 17.56 C ATOM 436 OD1 ASP E 60 39.056 51.775 13.358 1.00 17.20 O ATOM 437 OD2 ASP E 60 40.523 51.923 14.937 1.00 13.93 O ATOM 438 N ASN E 61 35.857 52.585 13.236 1.00 18.63 N ATOM 439 CA ASN E 61 34.830 51.537 13.293 1.00 20.26 C ATOM 440 C ASN E 61 35.378 50.151 12.999 1.00 20.17 C ATOM 441 O ASN E 61 34.635 49.185 12.986 1.00 21.29 O ATOM 442 CB ASN E 61 33.705 51.880 12.294 1.00 21.79 C ATOM 443 CG ASN E 61 33.008 53.173 12.647 1.00 22.21 C ATOM 444 OD1 ASN E 61 32.447 53.308 13.727 1.00 26.97 O ATOM 445 ND2 ASN E 61 33.077 54.127 11.754 1.00 23.78 N ATOM 446 N ASN E 62 36.670 50.048 12.735 1.00 17.59 N ATOM 447 CA ASN E 62 37.306 48.742 12.462 1.00 17.03 C ATOM 448 C ASN E 62 38.088 48.227 13.704 1.00 16.11 C ATOM 449 O ASN E 62 37.911 47.063 14.119 1.00 15.88 O ATOM 450 CB ASN E 62 38.240 48.857 11.246 1.00 16.13 C ATOM 451 CG ASN E 62 38.989 47.584 10.960 1.00 16.66 C ATOM 452 OD1 ASN E 62 39.948 47.240 11.650 1.00 16.51 O ATOM 453 ND2 ASN E 62 38.539 46.846 9.948 1.00 15.61 N ATOM 454 N SER E 63 38.867 49.141 14.318 1.00 15.25 N ATOM 455 CA SER E 63 39.781 48.893 15.486 1.00 14.90 C ATOM 456 C SER E 63 41.272 48.892 15.083 1.00 14.56 C ATOM 457 O SER E 63 42.169 49.146 15.933 1.00 13.98 O ATOM 458 CB SER E 63 39.490 47.578 16.243 1.00 14.85 C ATOM 459 OG SER E 63 40.098 46.443 15.613 1.00 15.71 O ATOM 460 N HIS E 64 41.539 48.601 13.810 1.00 13.09 N ATOM 461 CA HIS E 64 42.906 48.405 13.339 1.00 12.31 C ATOM 462 C HIS E 64 43.727 49.712 13.452 1.00 12.61 C ATOM 463 O HIS E 64 44.864 49.671 13.944 1.00 11.74 O ATOM 464 CB HIS E 64 42.881 47.911 11.875 1.00 12.03 C ATOM 465 CG HIS E 64 44.222 47.708 11.244 1.00 14.09 C ATOM 466 ND1 HIS E 64 44.850 48.709 10.525 1.00 12.87 N ATOM 467 CD2 HIS E 64 44.998 46.598 11.107 1.00 12.98 C ATOM 468 CE1 HIS E 64 45.959 48.222 9.991 1.00 13.61 C ATOM 469 NE2 HIS E 64 46.067 46.944 10.315 1.00 14.12 N ATOM 470 N GLY E 65 43.173 50.841 13.020 1.00 12.42 N ATOM 471 CA GLY E 65 43.962 52.098 13.003 1.00 12.06 C ATOM 472 C GLY E 65 44.340 52.499 14.448 1.00 12.27 C ATOM 473 O GLY E 65 45.400 53.073 14.728 1.00 12.68 O ATOM 474 N THR E 66 43.450 52.203 15.371 1.00 12.05 N ATOM 475 CA THR E 66 43.666 52.571 16.786 1.00 11.99 C ATOM 476 C THR E 66 44.799 51.689 17.380 1.00 12.35 C ATOM 477 O THR E 66 45.648 52.165 18.158 1.00 11.88 O ATOM 478 CB THR E 66 42.366 52.368 17.549 1.00 12.86 C ATOM 479 OG1 THR E 66 41.409 53.328 17.088 1.00 13.82 O ATOM 480 CG2 THR E 66 42.544 52.664 19.094 1.00 13.30 C ATOM 481 N HIS E 67 44.831 50.435 16.973 1.00 12.23 N ATOM 482 CA HIS E 67 45.892 49.519 17.469 1.00 11.76 C ATOM 483 C HIS E 67 47.255 49.990 16.918 1.00 11.45 C ATOM 484 O HIS E 67 48.288 50.106 17.664 1.00 11.42 O ATOM 485 CB HIS E 67 45.527 48.098 17.060 1.00 11.60 C ATOM 486 CG HIS E 67 46.348 47.048 17.734 1.00 10.92 C ATOM 487 ND1 HIS E 67 47.637 46.778 17.348 1.00 10.59 N ATOM 488 CD2 HIS E 67 46.097 46.269 18.819 1.00 9.45 C ATOM 489 CE1 HIS E 67 48.131 45.819 18.110 1.00 8.78 C ATOM 490 NE2 HIS E 67 47.236 45.518 19.041 1.00 11.02 N ATOM 491 N VAL E 68 47.305 50.178 15.591 1.00 9.99 N ATOM 492 CA VAL E 68 48.512 50.717 14.965 1.00 10.43 C ATOM 493 C VAL E 68 48.975 52.000 15.631 1.00 10.40 C ATOM 494 O VAL E 68 50.208 52.202 15.873 1.00 10.86 O ATOM 495 CB VAL E 68 48.276 50.916 13.451 1.00 11.69 C ATOM 496 CG1 VAL E 68 49.391 51.746 12.744 1.00 11.38 C ATOM 497 CG2 VAL E 68 48.093 49.521 12.798 1.00 8.44 C ATOM 498 N ALA E 69 48.036 52.920 15.832 1.00 10.40 N ATOM 499 CA ALA E 69 48.397 54.202 16.467 1.00 10.22 C ATOM 500 C ALA E 69 49.043 54.037 17.837 1.00 10.14 C ATOM 501 O ALA E 69 49.990 54.781 18.154 1.00 10.79 O ATOM 502 CB ALA E 69 47.151 55.130 16.576 1.00 9.82 C ATOM 503 N GLY E 70 48.511 53.118 18.677 1.00 8.68 N ATOM 504 CA GLY E 70 49.090 52.847 20.006 1.00 7.59 C ATOM 505 C GLY E 70 50.494 52.288 19.959 1.00 9.70 C ATOM 506 O GLY E 70 51.341 52.556 20.845 1.00 9.79 O ATOM 507 N THR E 71 50.794 51.500 18.931 1.00 9.20 N ATOM 508 CA THR E 71 52.176 51.051 18.805 1.00 9.43 C ATOM 509 C THR E 71 53.068 52.237 18.456 1.00 10.42 C ATOM 510 O THR E 71 54.189 52.334 18.975 1.00 9.48 O ATOM 511 CB THR E 71 52.300 49.972 17.731 1.00 10.88 C ATOM 512 OG1 THR E 71 51.595 48.796 18.195 1.00 10.67 O ATOM 513 CG2 THR E 71 53.777 49.564 17.502 1.00 9.17 C ATOM 514 N VAL E 72 52.601 53.107 17.568 1.00 8.79 N ATOM 515 CA VAL E 72 53.402 54.303 17.257 1.00 9.70 C ATOM 516 C VAL E 72 53.620 55.158 18.517 1.00 10.10 C ATOM 517 O VAL E 72 54.740 55.654 18.765 1.00 11.20 O ATOM 518 CB VAL E 72 52.736 55.214 16.177 1.00 9.52 C ATOM 519 CG1 VAL E 72 53.675 56.498 15.880 1.00 9.00 C ATOM 520 CG2 VAL E 72 52.504 54.402 14.850 1.00 8.82 C ATOM 521 N ALA E 73 52.548 55.414 19.268 1.00 10.77 N ATOM 522 CA ALA E 73 52.534 56.591 20.133 1.00 10.69 C ATOM 523 C ALA E 73 51.601 56.501 21.346 1.00 9.83 C ATOM 524 O ALA E 73 51.232 57.562 21.894 1.00 10.57 O ATOM 525 CB ALA E 73 52.166 57.899 19.242 1.00 10.85 C ATOM 526 N ALA E 74 51.267 55.296 21.833 1.00 8.55 N ATOM 527 CA ALA E 74 50.526 55.256 23.117 1.00 9.11 C ATOM 528 C ALA E 74 51.275 56.145 24.175 1.00 10.70 C ATOM 529 O ALA E 74 52.541 56.112 24.265 1.00 10.54 O ATOM 530 CB ALA E 74 50.347 53.806 23.632 1.00 8.85 C ATOM 531 N LEU E 75 50.499 56.902 24.944 1.00 10.48 N ATOM 532 CA LEU E 75 51.073 57.926 25.855 1.00 11.19 C ATOM 533 C LEU E 75 51.916 57.320 26.980 1.00 11.78 C ATOM 534 O LEU E 75 51.641 56.230 27.448 1.00 9.96 O ATOM 535 CB LEU E 75 49.965 58.765 26.503 1.00 9.91 C ATOM 536 CG LEU E 75 49.151 59.571 25.477 1.00 12.02 C ATOM 537 CD1 LEU E 75 48.011 60.229 26.226 1.00 10.98 C ATOM 538 CD2 LEU E 75 50.041 60.607 24.766 1.00 9.22 C ATOM 539 N ASN E 76 52.935 58.066 27.406 1.00 11.23 N ATOM 540 CA ASN E 76 53.767 57.677 28.514 1.00 11.41 C ATOM 541 C ASN E 76 53.126 58.240 29.792 1.00 12.32 C ATOM 542 O ASN E 76 53.104 59.458 30.024 1.00 12.25 O ATOM 543 CB ASN E 76 55.171 58.295 28.347 1.00 11.72 C ATOM 544 CG ASN E 76 56.131 57.868 29.470 1.00 11.85 C ATOM 545 OD1 ASN E 76 55.897 56.848 30.134 1.00 12.58 O ATOM 546 ND2 ASN E 76 57.188 58.703 29.740 1.00 11.25 N ATOM 547 N ASN E 77 52.555 57.357 30.590 1.00 10.97 N ATOM 548 CA ASN E 77 51.757 57.786 31.756 1.00 11.20 C ATOM 549 C ASN E 77 51.641 56.550 32.649 1.00 13.30 C ATOM 550 O ASN E 77 52.491 55.641 32.555 1.00 13.71 O ATOM 551 CB ASN E 77 50.387 58.378 31.302 1.00 11.35 C ATOM 552 CG ASN E 77 49.614 57.403 30.413 1.00 11.39 C ATOM 553 OD1 ASN E 77 49.897 56.189 30.420 1.00 10.46 O ATOM 554 ND2 ASN E 77 48.705 57.938 29.590 1.00 12.24 N ATOM 555 N SER E 78 50.639 56.494 33.532 1.00 14.86 N ATOM 556 CA SER E 78 50.525 55.330 34.402 1.00 14.40 C ATOM 557 C SER E 78 49.413 54.358 33.973 1.00 14.38 C ATOM 558 O SER E 78 48.899 53.641 34.792 1.00 14.15 O ATOM 559 CB SER E 78 50.335 55.764 35.893 1.00 14.89 C ATOM 560 OG SER E 78 49.135 56.522 36.029 1.00 15.83 O ATOM 561 N ILE E 79 49.056 54.305 32.697 1.00 12.86 N ATOM 562 CA ILE E 79 48.001 53.400 32.297 1.00 13.58 C ATOM 563 C ILE E 79 48.389 52.741 30.966 1.00 12.99 C ATOM 564 O ILE E 79 49.268 53.208 30.242 1.00 10.85 O ATOM 565 CB ILE E 79 46.618 54.173 32.088 1.00 14.62 C ATOM 566 CG1 ILE E 79 46.735 55.114 30.910 1.00 16.58 C ATOM 567 CG2 ILE E 79 46.206 55.005 33.320 1.00 13.21 C ATOM 568 CD1 ILE E 79 45.321 55.632 30.362 1.00 15.67 C ATOM 569 N GLY E 80 47.702 51.658 30.668 1.00 11.24 N ATOM 570 CA GLY E 80 47.723 51.058 29.350 1.00 10.93 C ATOM 571 C GLY E 80 49.108 50.588 28.948 1.00 10.50 C ATOM 572 O GLY E 80 49.792 49.909 29.687 1.00 10.29 O ATOM 573 N VAL E 81 49.484 50.947 27.723 1.00 11.12 N ATOM 574 CA VAL E 81 50.766 50.496 27.148 1.00 11.29 C ATOM 575 C VAL E 81 51.633 51.746 26.926 1.00 11.28 C ATOM 576 O VAL E 81 51.212 52.829 27.287 1.00 13.60 O ATOM 577 CB VAL E 81 50.506 49.760 25.806 1.00 10.50 C ATOM 578 CG1 VAL E 81 49.907 48.352 26.091 1.00 12.13 C ATOM 579 CG2 VAL E 81 49.581 50.602 24.820 1.00 10.87 C ATOM 580 N LEU E 82 52.826 51.601 26.349 1.00 12.84 N ATOM 581 CA LEU E 82 53.710 52.734 26.017 1.00 10.77 C ATOM 582 C LEU E 82 54.046 52.598 24.535 1.00 12.00 C ATOM 583 O LEU E 82 54.398 51.520 24.085 1.00 13.26 O ATOM 584 CB LEU E 82 54.992 52.591 26.873 1.00 10.08 C ATOM 585 CG LEU E 82 56.134 53.572 26.603 1.00 10.83 C ATOM 586 CD1 LEU E 82 55.617 54.963 27.029 1.00 9.13 C ATOM 587 CD2 LEU E 82 57.450 53.186 27.403 1.00 10.74 C ATOM 588 N GLY E 83 53.937 53.681 23.769 1.00 10.76 N ATOM 589 CA GLY E 83 54.213 53.631 22.349 1.00 9.94 C ATOM 590 C GLY E 83 55.723 53.755 22.130 1.00 10.80 C ATOM 591 O GLY E 83 56.498 54.062 23.037 1.00 10.72 O ATOM 592 N VAL E 84 56.138 53.415 20.926 1.00 8.77 N ATOM 593 CA VAL E 84 57.532 53.606 20.579 1.00 9.21 C ATOM 594 C VAL E 84 57.958 55.094 20.708 1.00 10.37 C ATOM 595 O VAL E 84 59.070 55.371 21.164 1.00 10.92 O ATOM 596 CB VAL E 84 57.802 53.100 19.141 1.00 8.25 C ATOM 597 CG1 VAL E 84 59.292 53.384 18.718 1.00 10.90 C ATOM 598 CG2 VAL E 84 57.538 51.506 19.087 1.00 8.92 C ATOM 599 N ALA E 85 57.094 56.005 20.225 1.00 8.37 N ATOM 600 CA ALA E 85 57.364 57.457 20.204 1.00 10.28 C ATOM 601 C ALA E 85 56.184 58.133 20.915 1.00 9.56 C ATOM 602 O ALA E 85 55.308 58.730 20.290 1.00 8.95 O ATOM 603 CB ALA E 85 57.462 57.926 18.691 1.00 10.62 C ATOM 604 N PRO E 86 56.159 58.046 22.234 1.00 9.72 N ATOM 605 CA PRO E 86 54.976 58.458 22.984 1.00 11.01 C ATOM 606 C PRO E 86 54.692 59.968 22.988 1.00 12.00 C ATOM 607 O PRO E 86 53.574 60.346 23.341 1.00 13.31 O ATOM 608 CB PRO E 86 55.274 57.948 24.403 1.00 10.53 C ATOM 609 CG PRO E 86 56.791 57.893 24.465 1.00 9.00 C ATOM 610 CD PRO E 86 57.194 57.432 23.101 1.00 9.74 C ATOM 611 N SER E 87 55.639 60.795 22.543 1.00 11.71 N ATOM 612 CA SER E 87 55.350 62.247 22.415 1.00 12.93 C ATOM 613 C SER E 87 55.049 62.669 20.986 1.00 11.49 C ATOM 614 O SER E 87 54.880 63.880 20.711 1.00 12.84 O ATOM 615 CB SER E 87 56.525 63.082 22.942 1.00 11.72 C ATOM 616 OG SER E 87 56.761 62.716 24.290 1.00 12.57 O ATOM 617 N ALA E 88 54.996 61.710 20.069 1.00 10.62 N ATOM 618 CA ALA E 88 54.743 62.047 18.644 1.00 10.70 C ATOM 619 C ALA E 88 53.407 62.789 18.472 1.00 12.47 C ATOM 620 O ALA E 88 52.470 62.591 19.278 1.00 13.69 O ATOM 621 CB ALA E 88 54.766 60.749 17.736 1.00 11.50 C ATOM 622 N SER E 89 53.336 63.658 17.452 1.00 13.14 N ATOM 623 CA SER E 89 52.091 64.310 17.075 1.00 14.08 C ATOM 624 C SER E 89 51.435 63.338 16.115 1.00 13.37 C ATOM 625 O SER E 89 51.936 63.099 15.015 1.00 12.88 O ATOM 626 CB SER E 89 52.366 65.697 16.435 1.00 14.39 C ATOM 627 OG SER E 89 52.989 66.557 17.413 1.00 16.89 O ATOM 628 N LEU E 90 50.332 62.756 16.559 1.00 13.02 N ATOM 629 CA LEU E 90 49.685 61.651 15.854 1.00 13.48 C ATOM 630 C LEU E 90 48.509 62.177 15.023 1.00 14.07 C ATOM 631 O LEU E 90 47.631 62.836 15.563 1.00 14.55 O ATOM 632 CB LEU E 90 49.151 60.706 16.949 1.00 14.82 C ATOM 633 CG LEU E 90 48.662 59.319 16.661 1.00 19.29 C ATOM 634 CD1 LEU E 90 49.848 58.527 16.041 1.00 19.06 C ATOM 635 CD2 LEU E 90 48.164 58.703 17.999 1.00 14.81 C ATOM 636 N TYR E 91 48.459 61.838 13.741 1.00 13.39 N ATOM 637 CA TYR E 91 47.368 62.286 12.857 1.00 12.74 C ATOM 638 C TYR E 91 46.585 61.105 12.313 1.00 13.79 C ATOM 639 O TYR E 91 47.187 60.168 11.801 1.00 13.01 O ATOM 640 CB TYR E 91 47.915 63.085 11.682 1.00 12.02 C ATOM 641 CG TYR E 91 48.482 64.381 12.186 1.00 10.82 C ATOM 642 CD1 TYR E 91 49.713 64.398 12.808 1.00 11.36 C ATOM 643 CD2 TYR E 91 47.724 65.553 12.151 1.00 13.18 C ATOM 644 CE1 TYR E 91 50.233 65.628 13.390 1.00 12.95 C ATOM 645 CE2 TYR E 91 48.224 66.759 12.726 1.00 15.08 C ATOM 646 CZ TYR E 91 49.488 66.770 13.298 1.00 18.62 C ATOM 647 OH TYR E 91 50.054 67.932 13.831 1.00 22.12 O ATOM 648 N ALA E 92 45.263 61.141 12.512 1.00 13.27 N ATOM 649 CA ALA E 92 44.369 60.096 12.019 1.00 14.74 C ATOM 650 C ALA E 92 44.038 60.416 10.561 1.00 14.45 C ATOM 651 O ALA E 92 43.253 61.331 10.293 1.00 14.23 O ATOM 652 CB ALA E 92 43.073 60.090 12.858 1.00 12.90 C ATOM 653 N VAL E 93 44.597 59.667 9.614 1.00 14.00 N ATOM 654 CA VAL E 93 44.278 59.937 8.184 1.00 14.13 C ATOM 655 C VAL E 93 43.465 58.727 7.720 1.00 15.15 C ATOM 656 O VAL E 93 44.021 57.670 7.427 1.00 15.58 O ATOM 657 CB VAL E 93 45.549 60.141 7.333 1.00 14.38 C ATOM 658 CG1 VAL E 93 45.156 60.414 5.829 1.00 13.53 C ATOM 659 CG2 VAL E 93 46.368 61.300 7.906 1.00 12.07 C ATOM 660 N LYS E 94 42.139 58.855 7.784 1.00 14.67 N ATOM 661 CA LYS E 94 41.292 57.695 7.617 1.00 14.93 C ATOM 662 C LYS E 94 41.056 57.486 6.124 1.00 15.38 C ATOM 663 O LYS E 94 40.442 58.330 5.471 1.00 14.94 O ATOM 664 CB LYS E 94 39.961 57.939 8.298 1.00 14.94 C ATOM 665 CG LYS E 94 38.978 56.770 8.161 1.00 17.29 C ATOM 666 CD LYS E 94 37.869 57.139 9.149 1.00 20.86 C ATOM 667 CE LYS E 94 36.795 56.207 9.186 1.00 24.29 C ATOM 668 NZ LYS E 94 35.948 56.587 10.387 1.00 23.48 N ATOM 669 N VAL E 95 41.541 56.362 5.608 1.00 14.37 N ATOM 670 CA VAL E 95 41.337 56.038 4.200 1.00 14.48 C ATOM 671 C VAL E 95 40.729 54.653 4.052 1.00 14.53 C ATOM 672 O VAL E 95 40.569 54.200 2.910 1.00 14.68 O ATOM 673 CB VAL E 95 42.673 56.078 3.435 1.00 14.89 C ATOM 674 CG1 VAL E 95 43.395 57.507 3.646 1.00 13.00 C ATOM 675 CG2 VAL E 95 43.616 54.884 3.878 1.00 12.87 C ATOM 676 N LEU E 96 40.491 53.960 5.186 1.00 14.26 N ATOM 677 CA LEU E 96 39.853 52.633 5.191 1.00 16.23 C ATOM 678 C LEU E 96 38.546 52.722 5.957 1.00 16.59 C ATOM 679 O LEU E 96 38.483 53.397 6.991 1.00 16.25 O ATOM 680 CB LEU E 96 40.757 51.549 5.875 1.00 16.13 C ATOM 681 CG LEU E 96 42.181 51.490 5.311 1.00 17.41 C ATOM 682 CD1 LEU E 96 43.035 50.520 6.111 1.00 15.23 C ATOM 683 CD2 LEU E 96 42.151 51.039 3.791 1.00 17.47 C ATOM 684 N GLY E 97 37.502 52.037 5.483 1.00 18.58 N ATOM 685 CA GLY E 97 36.243 52.012 6.212 1.00 18.25 C ATOM 686 C GLY E 97 36.176 50.920 7.256 1.00 19.71 C ATOM 687 O GLY E 97 37.164 50.194 7.478 1.00 19.94 O ATOM 688 N ALA E 98 35.023 50.810 7.913 1.00 18.85 N ATOM 689 CA ALA E 98 34.781 49.772 8.931 1.00 19.83 C ATOM 690 C ALA E 98 35.233 48.354 8.522 1.00 19.61 C ATOM 691 O ALA E 98 35.736 47.594 9.360 1.00 17.24 O ATOM 692 CB ALA E 98 33.285 49.754 9.369 1.00 19.34 C ATOM 693 N ASP E 99 35.069 48.001 7.237 1.00 19.33 N ATOM 694 CA ASP E 99 35.399 46.643 6.810 1.00 19.63 C ATOM 695 C ASP E 99 36.889 46.450 6.531 1.00 18.49 C ATOM 696 O ASP E 99 37.306 45.366 6.121 1.00 16.60 O ATOM 697 CB ASP E 99 34.539 46.173 5.618 1.00 21.47 C ATOM 698 CG ASP E 99 34.792 46.952 4.345 1.00 24.60 C ATOM 699 OD1 ASP E 99 35.759 47.769 4.223 1.00 25.40 O ATOM 700 OD2 ASP E 99 34.036 46.785 3.360 1.00 27.22 O ATOM 701 N GLY E 100 37.682 47.519 6.717 1.00 17.07 N ATOM 702 CA GLY E 100 39.136 47.374 6.635 1.00 16.94 C ATOM 703 C GLY E 100 39.653 47.616 5.227 1.00 17.29 C ATOM 704 O GLY E 100 40.824 47.414 4.974 1.00 17.46 O ATOM 705 N SER E 101 38.773 48.034 4.314 1.00 16.72 N ATOM 706 CA SER E 101 39.139 48.204 2.894 1.00 16.35 C ATOM 707 C SER E 101 38.992 49.669 2.436 1.00 15.49 C ATOM 708 O SER E 101 38.176 50.413 2.980 1.00 16.83 O ATOM 709 CB SER E 101 38.273 47.292 2.021 1.00 16.38 C ATOM 710 OG ASER E 101 37.004 47.886 1.804 0.67 14.59 O ATOM 711 OG BSER E 101 38.446 47.579 0.651 0.33 17.75 O ATOM 712 N GLY E 102 39.798 50.065 1.456 1.00 15.90 N ATOM 713 CA GLY E 102 39.693 51.380 0.850 1.00 16.04 C ATOM 714 C GLY E 102 40.039 51.320 -0.605 1.00 16.93 C ATOM 715 O GLY E 102 40.874 50.472 -1.051 1.00 18.44 O ATOM 716 N GLN E 103 39.461 52.246 -1.373 1.00 18.27 N ATOM 717 CA GLN E 103 39.781 52.348 -2.804 1.00 18.76 C ATOM 718 C GLN E 103 41.126 52.994 -2.939 1.00 19.78 C ATOM 719 O GLN E 103 41.499 53.795 -2.062 1.00 21.11 O ATOM 720 CB AGLN E 103 38.722 53.186 -3.530 0.67 18.95 C ATOM 721 CB BGLN E 103 38.746 53.211 -3.539 0.33 18.84 C ATOM 722 CG AGLN E 103 37.312 52.559 -3.357 0.67 21.77 C ATOM 723 CG BGLN E 103 37.411 52.499 -3.848 0.33 20.39 C ATOM 724 CD AGLN E 103 36.204 53.251 -4.127 0.67 26.22 C ATOM 725 CD BGLN E 103 37.555 51.367 -4.854 0.33 21.68 C ATOM 726 OE1AGLN E 103 36.441 54.187 -4.896 0.67 27.12 O ATOM 727 OE1BGLN E 103 38.371 51.439 -5.779 0.33 22.78 O ATOM 728 NE2AGLN E 103 34.977 52.810 -3.893 0.67 27.40 N ATOM 729 NE2BGLN E 103 36.763 50.315 -4.672 0.33 23.57 N ATOM 730 N TYR E 104 41.842 52.704 -4.025 1.00 16.60 N ATOM 731 CA TYR E 104 43.142 53.322 -4.212 1.00 19.47 C ATOM 732 C TYR E 104 43.094 54.867 -4.121 1.00 19.86 C ATOM 733 O TYR E 104 43.987 55.500 -3.541 1.00 20.27 O ATOM 734 CB TYR E 104 43.806 52.866 -5.537 1.00 18.58 C ATOM 735 CG TYR E 104 44.503 51.509 -5.471 1.00 21.21 C ATOM 736 CD1 TYR E 104 43.829 50.390 -5.007 1.00 25.79 C ATOM 737 CD2 TYR E 104 45.847 51.340 -5.895 1.00 22.65 C ATOM 738 CE1 TYR E 104 44.439 49.140 -4.962 1.00 24.04 C ATOM 739 CE2 TYR E 104 46.465 50.040 -5.842 1.00 24.25 C ATOM 740 CZ TYR E 104 45.728 48.970 -5.370 1.00 24.67 C ATOM 741 OH TYR E 104 46.248 47.689 -5.264 1.00 29.16 O ATOM 742 N SER E 105 42.062 55.488 -4.690 1.00 20.91 N ATOM 743 CA SER E 105 42.028 56.933 -4.685 1.00 21.25 C ATOM 744 C SER E 105 41.896 57.474 -3.258 1.00 20.00 C ATOM 745 O SER E 105 42.325 58.581 -2.991 1.00 20.68 O ATOM 746 CB SER E 105 40.861 57.484 -5.513 1.00 21.67 C ATOM 747 OG SER E 105 39.640 57.038 -4.966 1.00 24.51 O ATOM 748 N TRP E 106 41.252 56.731 -2.374 1.00 19.76 N ATOM 749 CA TRP E 106 41.187 57.151 -0.957 1.00 19.96 C ATOM 750 C TRP E 106 42.578 57.166 -0.319 1.00 19.32 C ATOM 751 O TRP E 106 42.945 58.143 0.345 1.00 18.59 O ATOM 752 CB TRP E 106 40.253 56.272 -0.152 1.00 19.84 C ATOM 753 CG TRP E 106 38.845 56.130 -0.731 1.00 21.17 C ATOM 754 CD1 TRP E 106 38.278 56.826 -1.804 1.00 22.72 C ATOM 755 CD2 TRP E 106 37.832 55.250 -0.247 1.00 19.91 C ATOM 756 NE1 TRP E 106 36.988 56.391 -1.992 1.00 22.17 N ATOM 757 CE2 TRP E 106 36.690 55.418 -1.070 1.00 21.26 C ATOM 758 CE3 TRP E 106 37.771 54.330 0.824 1.00 17.73 C ATOM 759 CZ2 TRP E 106 35.515 54.674 -0.894 1.00 22.90 C ATOM 760 CZ3 TRP E 106 36.590 53.591 1.010 1.00 23.42 C ATOM 761 CH2 TRP E 106 35.473 53.776 0.148 1.00 21.83 C ATOM 762 N ILE E 107 43.340 56.091 -0.515 1.00 18.43 N ATOM 763 CA ILE E 107 44.699 56.006 0.051 1.00 17.85 C ATOM 764 C ILE E 107 45.510 57.172 -0.534 1.00 18.57 C ATOM 765 O ILE E 107 46.229 57.893 0.193 1.00 17.96 O ATOM 766 CB ILE E 107 45.388 54.613 -0.266 1.00 18.71 C ATOM 767 CG1 ILE E 107 44.899 53.459 0.637 1.00 21.06 C ATOM 768 CG2 ILE E 107 46.948 54.690 -0.112 1.00 18.00 C ATOM 769 CD1 ILE E 107 43.408 53.230 0.734 1.00 17.42 C ATOM 770 N ILE E 108 45.399 57.381 -1.852 1.00 16.53 N ATOM 771 CA ILE E 108 46.173 58.421 -2.503 1.00 17.23 C ATOM 772 C ILE E 108 45.810 59.804 -1.948 1.00 16.78 C ATOM 773 O ILE E 108 46.708 60.593 -1.627 1.00 18.76 O ATOM 774 CB ILE E 108 46.018 58.342 -4.077 1.00 19.28 C ATOM 775 CG1 ILE E 108 46.723 57.078 -4.626 1.00 17.42 C ATOM 776 CG2 ILE E 108 46.597 59.644 -4.762 1.00 19.35 C ATOM 777 CD1 ILE E 108 46.226 56.698 -6.086 1.00 17.07 C ATOM 778 N ASN E 109 44.524 60.061 -1.752 1.00 16.91 N ATOM 779 CA ASN E 109 44.095 61.337 -1.191 1.00 18.28 C ATOM 780 C ASN E 109 44.668 61.522 0.244 1.00 18.25 C ATOM 781 O ASN E 109 44.975 62.639 0.672 1.00 16.98 O ATOM 782 CB ASN E 109 42.557 61.430 -1.163 1.00 16.35 C ATOM 783 CG ASN E 109 41.964 61.657 -2.569 1.00 22.03 C ATOM 784 OD1 ASN E 109 42.668 62.078 -3.479 1.00 23.84 O ATOM 785 ND2 ASN E 109 40.704 61.278 -2.757 1.00 22.34 N ATOM 786 N GLY E 110 44.801 60.419 0.981 1.00 18.39 N ATOM 787 CA GLY E 110 45.359 60.531 2.340 1.00 16.64 C ATOM 788 C GLY E 110 46.853 60.828 2.311 1.00 16.26 C ATOM 789 O GLY E 110 47.336 61.638 3.131 1.00 16.21 O ATOM 790 N ILE E 111 47.575 60.193 1.370 1.00 15.04 N ATOM 791 CA ILE E 111 49.000 60.456 1.189 1.00 16.12 C ATOM 792 C ILE E 111 49.172 61.913 0.783 1.00 16.80 C ATOM 793 O ILE E 111 50.032 62.600 1.330 1.00 16.50 O ATOM 794 CB ILE E 111 49.658 59.515 0.148 1.00 16.39 C ATOM 795 CG1 ILE E 111 49.637 58.034 0.629 1.00 17.28 C ATOM 796 CG2 ILE E 111 51.101 59.972 -0.201 1.00 13.82 C ATOM 797 CD1 ILE E 111 49.830 57.090 -0.505 1.00 13.90 C ATOM 798 N GLU E 112 48.345 62.369 -0.169 1.00 16.43 N ATOM 799 CA GLU E 112 48.355 63.807 -0.523 1.00 16.31 C ATOM 800 C GLU E 112 48.070 64.724 0.663 1.00 16.17 C ATOM 801 O GLU E 112 48.725 65.768 0.794 1.00 16.75 O ATOM 802 CB GLU E 112 47.381 64.117 -1.681 1.00 17.56 C ATOM 803 CG GLU E 112 47.748 63.431 -2.997 1.00 19.13 C ATOM 804 CD GLU E 112 48.899 64.063 -3.778 1.00 28.53 C ATOM 805 OE1 GLU E 112 49.574 65.031 -3.310 1.00 29.67 O ATOM 806 OE2 GLU E 112 49.137 63.589 -4.921 1.00 32.67 O ATOM 807 N TRP E 113 47.108 64.368 1.504 1.00 15.23 N ATOM 808 CA TRP E 113 46.782 65.218 2.661 1.00 16.23 C ATOM 809 C TRP E 113 48.038 65.268 3.587 1.00 16.49 C ATOM 810 O TRP E 113 48.387 66.331 4.109 1.00 15.05 O ATOM 811 CB TRP E 113 45.563 64.693 3.435 1.00 14.81 C ATOM 812 CG TRP E 113 45.185 65.492 4.634 1.00 17.35 C ATOM 813 CD1 TRP E 113 44.223 66.480 4.688 1.00 18.70 C ATOM 814 CD2 TRP E 113 45.765 65.425 5.958 1.00 18.63 C ATOM 815 NE1 TRP E 113 44.166 67.004 5.958 1.00 19.13 N ATOM 816 CE2 TRP E 113 45.100 66.393 6.754 1.00 19.86 C ATOM 817 CE3 TRP E 113 46.800 64.656 6.549 1.00 20.90 C ATOM 818 CZ2 TRP E 113 45.415 66.615 8.115 1.00 19.38 C ATOM 819 CZ3 TRP E 113 47.137 64.884 7.910 1.00 17.05 C ATOM 820 CH2 TRP E 113 46.413 65.868 8.681 1.00 16.43 C ATOM 821 N ALA E 114 48.695 64.114 3.775 1.00 15.43 N ATOM 822 CA ALA E 114 49.881 64.056 4.648 1.00 15.51 C ATOM 823 C ALA E 114 50.989 64.946 4.117 1.00 15.67 C ATOM 824 O ALA E 114 51.617 65.668 4.884 1.00 15.88 O ATOM 825 CB ALA E 114 50.369 62.564 4.803 1.00 15.83 C ATOM 826 N ILE E 115 51.219 64.934 2.795 1.00 15.83 N ATOM 827 CA ILE E 115 52.260 65.802 2.223 1.00 17.01 C ATOM 828 C ILE E 115 51.873 67.287 2.447 1.00 18.02 C ATOM 829 O ILE E 115 52.713 68.109 2.833 1.00 18.58 O ATOM 830 CB ILE E 115 52.443 65.535 0.686 1.00 16.74 C ATOM 831 CG1 ILE E 115 52.862 64.096 0.420 1.00 17.50 C ATOM 832 CG2 ILE E 115 53.458 66.540 0.088 1.00 18.71 C ATOM 833 CD1 ILE E 115 52.654 63.633 -1.078 1.00 17.33 C ATOM 834 N ALA E 116 50.615 67.620 2.192 1.00 18.32 N ATOM 835 CA ALA E 116 50.142 69.043 2.225 1.00 18.70 C ATOM 836 C ALA E 116 50.126 69.535 3.651 1.00 19.83 C ATOM 837 O ALA E 116 50.223 70.744 3.912 1.00 18.48 O ATOM 838 CB ALA E 116 48.730 69.179 1.623 1.00 20.14 C ATOM 839 N ASN E 117 50.029 68.588 4.605 1.00 18.41 N ATOM 840 CA ASN E 117 50.047 68.967 5.996 1.00 17.95 C ATOM 841 C ASN E 117 51.381 68.775 6.729 1.00 17.15 C ATOM 842 O ASN E 117 51.410 68.781 7.958 1.00 16.52 O ATOM 843 CB ASN E 117 48.862 68.330 6.725 1.00 18.05 C ATOM 844 CG ASN E 117 47.515 68.987 6.313 1.00 19.32 C ATOM 845 OD1 ASN E 117 47.033 69.912 6.988 1.00 22.41 O ATOM 846 ND2 ASN E 117 46.921 68.520 5.225 1.00 19.04 N ATOM 847 N ASN E 118 52.458 68.622 5.967 1.00 17.35 N ATOM 848 CA ASN E 118 53.824 68.593 6.487 1.00 17.88 C ATOM 849 C ASN E 118 54.103 67.449 7.472 1.00 17.54 C ATOM 850 O ASN E 118 54.853 67.615 8.411 1.00 17.23 O ATOM 851 CB ASN E 118 54.258 69.992 7.041 1.00 18.91 C ATOM 852 CG ASN E 118 53.991 71.111 5.995 1.00 25.20 C ATOM 853 OD1 ASN E 118 54.447 71.019 4.871 1.00 28.77 O ATOM 854 ND2 ASN E 118 53.167 72.102 6.351 1.00 29.71 N ATOM 855 N MET E 119 53.531 66.263 7.213 1.00 14.99 N ATOM 856 CA MET E 119 53.798 65.095 8.030 1.00 13.71 C ATOM 857 C MET E 119 55.254 64.722 7.825 1.00 14.20 C ATOM 858 O MET E 119 55.799 64.833 6.712 1.00 14.70 O ATOM 859 CB MET E 119 52.883 63.917 7.616 1.00 13.64 C ATOM 860 CG MET E 119 51.429 64.176 7.863 1.00 12.87 C ATOM 861 SD MET E 119 51.015 64.279 9.610 1.00 15.24 S ATOM 862 CE MET E 119 50.535 66.106 9.714 1.00 15.68 C ATOM 863 N ASP E 120 55.901 64.322 8.911 1.00 12.11 N ATOM 864 CA ASP E 120 57.294 63.866 8.856 1.00 12.05 C ATOM 865 C ASP E 120 57.398 62.378 8.541 1.00 11.35 C ATOM 866 O ASP E 120 58.396 61.915 7.970 1.00 12.77 O ATOM 867 CB ASP E 120 57.920 64.102 10.237 1.00 11.38 C ATOM 868 CG ASP E 120 57.993 65.585 10.561 1.00 15.80 C ATOM 869 OD1 ASP E 120 58.639 66.330 9.768 1.00 16.41 O ATOM 870 OD2 ASP E 120 57.394 66.055 11.534 1.00 15.32 O ATOM 871 N VAL E 121 56.364 61.645 8.931 1.00 11.17 N ATOM 872 CA VAL E 121 56.378 60.190 8.775 1.00 11.07 C ATOM 873 C VAL E 121 54.977 59.747 8.367 1.00 12.20 C ATOM 874 O VAL E 121 53.987 60.246 8.916 1.00 12.92 O ATOM 875 CB VAL E 121 56.766 59.471 10.122 1.00 11.67 C ATOM 876 CG1 VAL E 121 56.840 57.916 9.936 1.00 10.66 C ATOM 877 CG2 VAL E 121 58.133 60.037 10.707 1.00 12.32 C ATOM 878 N ILE E 122 54.906 58.786 7.438 1.00 11.86 N ATOM 879 CA ILE E 122 53.672 58.082 7.152 1.00 10.29 C ATOM 880 C ILE E 122 53.804 56.622 7.513 1.00 11.86 C ATOM 881 O ILE E 122 54.818 55.971 7.169 1.00 12.90 O ATOM 882 CB ILE E 122 53.366 58.204 5.639 1.00 11.80 C ATOM 883 CG1 ILE E 122 52.801 59.606 5.342 1.00 9.39 C ATOM 884 CG2 ILE E 122 52.337 57.134 5.201 1.00 8.99 C ATOM 885 CD1 ILE E 122 52.804 59.885 3.762 1.00 11.49 C ATOM 886 N ASN E 123 52.793 56.113 8.212 1.00 11.31 N ATOM 887 CA ASN E 123 52.674 54.684 8.398 1.00 11.79 C ATOM 888 C ASN E 123 51.474 54.213 7.621 1.00 12.38 C ATOM 889 O ASN E 123 50.369 54.776 7.762 1.00 11.77 O ATOM 890 CB ASN E 123 52.483 54.317 9.866 1.00 11.60 C ATOM 891 CG ASN E 123 52.456 52.797 10.071 1.00 11.15 C ATOM 892 OD1 ASN E 123 53.517 52.165 10.170 1.00 11.03 O ATOM 893 ND2 ASN E 123 51.252 52.211 10.108 1.00 9.53 N ATOM 894 N MET E 124 51.686 53.166 6.811 1.00 13.19 N ATOM 895 CA MET E 124 50.590 52.521 6.086 1.00 12.80 C ATOM 896 C MET E 124 50.524 51.011 6.391 1.00 12.45 C ATOM 897 O MET E 124 51.164 50.192 5.706 1.00 13.22 O ATOM 898 CB MET E 124 50.766 52.730 4.560 1.00 12.33 C ATOM 899 CG MET E 124 50.167 54.109 4.194 1.00 13.33 C ATOM 900 SD MET E 124 50.366 54.464 2.391 1.00 16.57 S ATOM 901 CE MET E 124 51.964 54.621 2.243 1.00 13.10 C ATOM 902 N SER E 125 49.775 50.634 7.417 1.00 12.00 N ATOM 903 CA SER E 125 49.710 49.219 7.778 1.00 12.47 C ATOM 904 C SER E 125 48.622 48.585 6.875 1.00 13.50 C ATOM 905 O SER E 125 47.549 48.210 7.331 1.00 13.23 O ATOM 906 CB SER E 125 49.345 49.086 9.255 1.00 11.95 C ATOM 907 OG SER E 125 50.547 49.331 10.012 1.00 10.85 O ATOM 908 N LEU E 126 48.895 48.529 5.569 1.00 13.67 N ATOM 909 CA LEU E 126 47.825 48.221 4.637 1.00 13.76 C ATOM 910 C LEU E 126 48.493 47.787 3.342 1.00 15.17 C ATOM 911 O LEU E 126 49.726 47.964 3.161 1.00 14.93 O ATOM 912 CB LEU E 126 46.888 49.447 4.437 1.00 13.25 C ATOM 913 CG LEU E 126 47.497 50.820 4.128 1.00 15.59 C ATOM 914 CD1 LEU E 126 48.149 50.858 2.708 1.00 18.68 C ATOM 915 CD2 LEU E 126 46.455 51.945 4.289 1.00 17.37 C ATOM 916 N GLY E 127 47.733 47.183 2.435 1.00 15.22 N ATOM 917 CA GLY E 127 48.363 46.812 1.175 1.00 16.84 C ATOM 918 C GLY E 127 47.401 46.050 0.244 1.00 18.32 C ATOM 919 O GLY E 127 46.268 45.728 0.629 1.00 15.96 O ATOM 920 N GLY E 128 47.857 45.816 -0.987 1.00 19.95 N ATOM 921 CA GLY E 128 47.138 44.912 -1.887 1.00 21.35 C ATOM 922 C GLY E 128 48.128 44.356 -2.880 1.00 22.34 C ATOM 923 O GLY E 128 49.259 44.848 -2.983 1.00 21.08 O ATOM 924 N PRO E 129 47.717 43.300 -3.594 1.00 24.57 N ATOM 925 CA PRO E 129 48.631 42.568 -4.489 1.00 24.38 C ATOM 926 C PRO E 129 49.001 43.316 -5.777 1.00 25.34 C ATOM 927 O PRO E 129 50.027 42.964 -6.399 1.00 25.07 O ATOM 928 CB PRO E 129 47.878 41.247 -4.776 1.00 25.07 C ATOM 929 CG PRO E 129 46.424 41.588 -4.543 1.00 24.79 C ATOM 930 CD PRO E 129 46.379 42.673 -3.497 1.00 24.14 C ATOM 931 N SER E 130 48.242 44.338 -6.142 1.00 25.89 N ATOM 932 CA SER E 130 48.539 45.127 -7.338 1.00 27.54 C ATOM 933 C SER E 130 48.853 46.567 -6.976 1.00 29.25 C ATOM 934 O SER E 130 48.283 47.112 -6.027 1.00 30.73 O ATOM 935 CB SER E 130 47.336 45.175 -8.304 1.00 27.54 C ATOM 936 OG ASER E 130 46.156 45.553 -7.633 0.33 26.83 O ATOM 937 OG BSER E 130 46.724 43.910 -8.384 0.67 25.89 O ATOM 938 N GLY E 131 49.707 47.190 -7.765 1.00 29.84 N ATOM 939 CA GLY E 131 49.937 48.617 -7.599 1.00 30.97 C ATOM 940 C GLY E 131 49.162 49.394 -8.649 1.00 31.01 C ATOM 941 O GLY E 131 48.354 48.816 -9.405 1.00 31.43 O ATOM 942 N SER E 132 49.392 50.698 -8.685 1.00 29.13 N ATOM 943 CA SER E 132 48.912 51.541 -9.776 1.00 27.31 C ATOM 944 C SER E 132 49.954 52.642 -9.962 1.00 27.78 C ATOM 945 O SER E 132 50.750 52.952 -9.028 1.00 25.91 O ATOM 946 CB SER E 132 47.518 52.086 -9.489 1.00 26.76 C ATOM 947 OG SER E 132 47.494 53.184 -8.573 1.00 23.52 O ATOM 948 N ALA E 133 49.995 53.200 -11.173 1.00 26.14 N ATOM 949 CA ALA E 133 50.915 54.271 -11.440 1.00 25.63 C ATOM 950 C ALA E 133 50.646 55.430 -10.471 1.00 24.18 C ATOM 951 O ALA E 133 51.583 56.073 -9.991 1.00 24.38 O ATOM 952 CB ALA E 133 50.871 54.719 -12.971 1.00 25.89 C ATOM 953 N ALA E 134 49.384 55.686 -10.174 1.00 22.91 N ATOM 954 CA ALA E 134 49.046 56.839 -9.357 1.00 22.26 C ATOM 955 C ALA E 134 49.400 56.591 -7.869 1.00 22.23 C ATOM 956 O ALA E 134 49.800 57.534 -7.169 1.00 21.43 O ATOM 957 CB ALA E 134 47.564 57.221 -9.489 1.00 22.03 C ATOM 958 N LEU E 135 49.273 55.338 -7.404 1.00 21.61 N ATOM 959 CA LEU E 135 49.721 55.012 -6.026 1.00 20.22 C ATOM 960 C LEU E 135 51.238 55.189 -5.928 1.00 20.36 C ATOM 961 O LEU E 135 51.777 55.819 -4.987 1.00 19.18 O ATOM 962 CB LEU E 135 49.294 53.598 -5.634 1.00 18.53 C ATOM 963 CG LEU E 135 49.747 53.186 -4.213 1.00 20.20 C ATOM 964 CD1 LEU E 135 49.089 54.121 -3.197 1.00 17.57 C ATOM 965 CD2 LEU E 135 49.422 51.675 -3.902 1.00 19.07 C ATOM 966 N LYS E 136 51.945 54.638 -6.910 1.00 20.07 N ATOM 967 CA LYS E 136 53.389 54.783 -6.933 1.00 20.06 C ATOM 968 C LYS E 136 53.742 56.289 -6.962 1.00 20.30 C ATOM 969 O LYS E 136 54.646 56.746 -6.256 1.00 20.29 O ATOM 970 CB LYS E 136 54.018 54.051 -8.122 1.00 18.58 C ATOM 971 CG LYS E 136 55.557 54.138 -8.091 1.00 20.65 C ATOM 972 CD LYS E 136 56.210 53.429 -9.282 1.00 24.49 C ATOM 973 CE LYS E 136 57.646 53.177 -9.021 1.00 22.39 C ATOM 974 NZ LYS E 136 58.427 54.449 -9.040 1.00 25.26 N ATOM 975 N ALA E 137 53.028 57.056 -7.777 1.00 20.60 N ATOM 976 CA ALA E 137 53.346 58.480 -7.874 1.00 20.61 C ATOM 977 C ALA E 137 53.126 59.186 -6.515 1.00 20.34 C ATOM 978 O ALA E 137 53.879 60.095 -6.158 1.00 20.84 O ATOM 979 CB ALA E 137 52.523 59.146 -8.988 1.00 19.96 C ATOM 980 N ALA E 138 52.074 58.795 -5.790 1.00 18.92 N ATOM 981 CA ALA E 138 51.797 59.438 -4.483 1.00 18.48 C ATOM 982 C ALA E 138 52.898 59.156 -3.464 1.00 17.66 C ATOM 983 O ALA E 138 53.360 60.095 -2.782 1.00 16.23 O ATOM 984 CB ALA E 138 50.468 59.040 -3.933 1.00 18.66 C ATOM 985 N VAL E 139 53.312 57.893 -3.343 1.00 16.69 N ATOM 986 CA VAL E 139 54.343 57.580 -2.338 1.00 16.95 C ATOM 987 C VAL E 139 55.673 58.176 -2.801 1.00 17.03 C ATOM 988 O VAL E 139 56.450 58.662 -1.985 1.00 15.65 O ATOM 989 CB VAL E 139 54.465 56.027 -2.008 1.00 16.61 C ATOM 990 CG1 VAL E 139 53.197 55.498 -1.327 1.00 17.28 C ATOM 991 CG2 VAL E 139 54.847 55.180 -3.280 1.00 17.83 C ATOM 992 N ASP E 140 55.950 58.186 -4.122 1.00 17.24 N ATOM 993 CA ASP E 140 57.215 58.767 -4.576 1.00 18.59 C ATOM 994 C ASP E 140 57.258 60.269 -4.282 1.00 17.11 C ATOM 995 O ASP E 140 58.329 60.828 -3.927 1.00 18.37 O ATOM 996 CB ASP E 140 57.438 58.549 -6.101 1.00 19.00 C ATOM 997 CG ASP E 140 57.764 57.095 -6.459 1.00 22.59 C ATOM 998 OD1 ASP E 140 57.990 56.254 -5.546 1.00 21.10 O ATOM 999 OD2 ASP E 140 57.816 56.695 -7.652 1.00 21.91 O ATOM 1000 N LYS E 141 56.111 60.927 -4.451 1.00 17.23 N ATOM 1001 CA LYS E 141 56.033 62.372 -4.226 1.00 17.30 C ATOM 1002 C LYS E 141 56.238 62.635 -2.741 1.00 16.65 C ATOM 1003 O LYS E 141 56.909 63.585 -2.351 1.00 16.64 O ATOM 1004 CB LYS E 141 54.634 62.916 -4.649 1.00 17.70 C ATOM 1005 CG LYS E 141 54.398 64.431 -4.482 1.00 20.30 C ATOM 1006 CD LYS E 141 52.935 64.805 -4.826 1.00 24.35 C ATOM 1007 CE LYS E 141 52.557 66.277 -4.474 1.00 23.76 C ATOM 1008 NZ LYS E 141 51.178 66.511 -4.954 1.00 27.19 N ATOM 1009 N ALA E 142 55.654 61.787 -1.896 1.00 15.78 N ATOM 1010 CA ALA E 142 55.824 62.003 -0.416 1.00 15.35 C ATOM 1011 C ALA E 142 57.283 61.878 -0.041 1.00 14.53 C ATOM 1012 O ALA E 142 57.823 62.675 0.714 1.00 15.08 O ATOM 1013 CB ALA E 142 54.950 60.955 0.390 1.00 14.50 C ATOM 1014 N VAL E 143 57.959 60.878 -0.588 1.00 14.78 N ATOM 1015 CA VAL E 143 59.381 60.724 -0.302 1.00 15.14 C ATOM 1016 C VAL E 143 60.214 61.881 -0.858 1.00 16.02 C ATOM 1017 O VAL E 143 61.126 62.391 -0.159 1.00 16.09 O ATOM 1018 CB VAL E 143 59.890 59.364 -0.803 1.00 15.34 C ATOM 1019 CG1 VAL E 143 61.420 59.245 -0.754 1.00 16.05 C ATOM 1020 CG2 VAL E 143 59.159 58.224 0.041 1.00 14.81 C ATOM 1021 N ALA E 144 59.926 62.268 -2.114 1.00 16.50 N ATOM 1022 CA ALA E 144 60.607 63.417 -2.728 1.00 18.00 C ATOM 1023 C ALA E 144 60.416 64.674 -1.868 1.00 18.14 C ATOM 1024 O ALA E 144 61.312 65.555 -1.826 1.00 19.31 O ATOM 1025 CB ALA E 144 60.102 63.677 -4.193 1.00 17.28 C ATOM 1026 N SER E 145 59.270 64.754 -1.192 1.00 18.37 N ATOM 1027 CA SER E 145 58.935 65.895 -0.332 1.00 18.86 C ATOM 1028 C SER E 145 59.577 65.798 1.051 1.00 18.47 C ATOM 1029 O SER E 145 59.437 66.714 1.830 1.00 17.61 O ATOM 1030 CB SER E 145 57.416 65.995 -0.107 1.00 19.69 C ATOM 1031 OG SER E 145 56.798 66.260 -1.342 1.00 24.27 O ATOM 1032 N GLY E 146 60.254 64.693 1.367 1.00 16.45 N ATOM 1033 CA GLY E 146 60.961 64.617 2.646 1.00 15.16 C ATOM 1034 C GLY E 146 60.281 63.730 3.690 1.00 13.71 C ATOM 1035 O GLY E 146 60.750 63.644 4.812 1.00 13.76 O ATOM 1036 N VAL E 147 59.184 63.062 3.339 1.00 14.79 N ATOM 1037 CA VAL E 147 58.450 62.224 4.313 1.00 13.85 C ATOM 1038 C VAL E 147 59.071 60.812 4.378 1.00 14.45 C ATOM 1039 O VAL E 147 59.417 60.227 3.346 1.00 14.58 O ATOM 1040 CB VAL E 147 56.953 62.025 3.922 1.00 15.21 C ATOM 1041 CG1 VAL E 147 56.183 61.195 5.000 1.00 13.21 C ATOM 1042 CG2 VAL E 147 56.260 63.403 3.623 1.00 13.40 C ATOM 1043 N VAL E 148 59.231 60.280 5.590 1.00 12.40 N ATOM 1044 CA VAL E 148 59.650 58.874 5.761 1.00 12.14 C ATOM 1045 C VAL E 148 58.387 58.040 5.553 1.00 12.39 C ATOM 1046 O VAL E 148 57.425 58.236 6.279 1.00 12.87 O ATOM 1047 CB VAL E 148 60.216 58.631 7.204 1.00 11.52 C ATOM 1048 CG1 VAL E 148 60.523 57.134 7.441 1.00 13.25 C ATOM 1049 CG2 VAL E 148 61.544 59.455 7.436 1.00 9.32 C ATOM 1050 N VAL E 149 58.373 57.117 4.590 1.00 10.53 N ATOM 1051 CA VAL E 149 57.147 56.357 4.358 1.00 11.37 C ATOM 1052 C VAL E 149 57.393 54.882 4.692 1.00 11.48 C ATOM 1053 O VAL E 149 58.295 54.270 4.115 1.00 12.40 O ATOM 1054 CB VAL E 149 56.671 56.492 2.849 1.00 11.27 C ATOM 1055 CG1 VAL E 149 55.305 55.798 2.650 1.00 10.99 C ATOM 1056 CG2 VAL E 149 56.454 57.941 2.508 1.00 12.24 C ATOM 1057 N VAL E 150 56.558 54.318 5.566 1.00 11.55 N ATOM 1058 CA VAL E 150 56.784 52.962 6.074 1.00 10.87 C ATOM 1059 C VAL E 150 55.486 52.238 5.787 1.00 11.93 C ATOM 1060 O VAL E 150 54.397 52.797 5.957 1.00 11.98 O ATOM 1061 CB VAL E 150 56.993 52.971 7.615 1.00 11.50 C ATOM 1062 CG1 VAL E 150 57.284 51.559 8.144 1.00 10.88 C ATOM 1063 CG2 VAL E 150 58.163 53.985 7.996 1.00 7.79 C ATOM 1064 N ALA E 151 55.583 51.001 5.324 1.00 12.49 N ATOM 1065 CA ALA E 151 54.345 50.197 5.130 1.00 13.22 C ATOM 1066 C ALA E 151 54.558 48.738 5.569 1.00 13.14 C ATOM 1067 O ALA E 151 55.688 48.282 5.589 1.00 14.39 O ATOM 1068 CB ALA E 151 53.945 50.217 3.631 1.00 12.39 C ATOM 1069 N ALA E 152 53.473 48.034 5.878 1.00 12.86 N ATOM 1070 CA ALA E 152 53.500 46.576 6.123 1.00 14.44 C ATOM 1071 C ALA E 152 53.922 45.849 4.842 1.00 13.47 C ATOM 1072 O ALA E 152 53.459 46.228 3.761 1.00 12.92 O ATOM 1073 CB ALA E 152 52.104 46.104 6.535 1.00 14.82 C ATOM 1074 N ALA E 153 54.758 44.810 4.964 1.00 13.44 N ATOM 1075 CA ALA E 153 55.220 44.053 3.762 1.00 16.16 C ATOM 1076 C ALA E 153 54.062 43.251 3.148 1.00 17.32 C ATOM 1077 O ALA E 153 54.018 43.023 1.897 1.00 17.58 O ATOM 1078 CB ALA E 153 56.389 43.127 4.136 1.00 14.68 C ATOM 1079 N GLY E 154 53.088 42.906 3.997 1.00 16.50 N ATOM 1080 CA GLY E 154 51.980 42.018 3.604 1.00 16.97 C ATOM 1081 C GLY E 154 52.012 40.690 4.394 1.00 16.33 C ATOM 1082 O GLY E 154 53.051 40.307 4.959 1.00 16.22 O ATOM 1083 N ASN E 155 50.882 39.997 4.427 1.00 16.48 N ATOM 1084 CA ASN E 155 50.753 38.762 5.186 1.00 17.33 C ATOM 1085 C ASN E 155 50.515 37.569 4.236 1.00 18.97 C ATOM 1086 O ASN E 155 49.712 36.669 4.543 1.00 18.86 O ATOM 1087 CB ASN E 155 49.581 38.818 6.176 1.00 16.16 C ATOM 1088 CG ASN E 155 49.698 39.962 7.177 1.00 16.40 C ATOM 1089 OD1 ASN E 155 50.809 40.410 7.504 1.00 16.89 O ATOM 1090 ND2 ASN E 155 48.573 40.421 7.670 1.00 12.63 N ATOM 1091 N GLU E 156 51.210 37.579 3.107 1.00 19.73 N ATOM 1092 CA GLU E 156 51.003 36.531 2.081 1.00 22.53 C ATOM 1093 C GLU E 156 51.871 35.305 2.266 1.00 23.84 C ATOM 1094 O GLU E 156 51.741 34.326 1.507 1.00 25.51 O ATOM 1095 CB GLU E 156 51.262 37.090 0.715 1.00 21.97 C ATOM 1096 CG GLU E 156 50.368 38.240 0.401 1.00 27.33 C ATOM 1097 CD GLU E 156 48.967 37.765 0.462 1.00 36.21 C ATOM 1098 OE1 GLU E 156 48.749 36.652 -0.065 1.00 40.82 O ATOM 1099 OE2 GLU E 156 48.116 38.449 1.075 1.00 41.07 O ATOM 1100 N GLY E 157 52.754 35.340 3.265 1.00 23.29 N ATOM 1101 CA GLY E 157 53.615 34.221 3.560 1.00 23.09 C ATOM 1102 C GLY E 157 54.559 33.937 2.399 1.00 24.30 C ATOM 1103 O GLY E 157 54.996 34.861 1.714 1.00 23.45 O ATOM 1104 N THR E 158 54.864 32.663 2.160 1.00 25.51 N ATOM 1105 CA THR E 158 55.796 32.301 1.081 1.00 28.36 C ATOM 1106 C THR E 158 55.084 31.723 -0.127 1.00 30.51 C ATOM 1107 O THR E 158 53.989 31.172 -0.006 1.00 30.69 O ATOM 1108 CB THR E 158 56.850 31.247 1.542 1.00 28.21 C ATOM 1109 OG1 THR E 158 56.143 30.063 1.971 1.00 29.19 O ATOM 1110 CG2 THR E 158 57.623 31.703 2.766 1.00 26.00 C ATOM 1111 N SER E 159 55.723 31.826 -1.293 1.00 32.35 N ATOM 1112 CA SER E 159 55.127 31.266 -2.502 1.00 34.97 C ATOM 1113 C SER E 159 56.269 30.794 -3.381 1.00 35.19 C ATOM 1114 O SER E 159 56.569 31.409 -4.409 1.00 35.04 O ATOM 1115 CB SER E 159 54.286 32.321 -3.199 1.00 35.13 C ATOM 1116 OG SER E 159 53.691 31.773 -4.352 1.00 39.86 O ATOM 1117 N GLY E 160 56.962 29.751 -2.912 1.00 35.65 N ATOM 1118 CA GLY E 160 58.156 29.272 -3.573 1.00 35.84 C ATOM 1119 C GLY E 160 59.270 30.290 -3.599 1.00 36.37 C ATOM 1120 O GLY E 160 59.774 30.724 -2.549 1.00 37.02 O ATOM 1121 N SER E 161 59.680 30.673 -4.805 1.00 35.78 N ATOM 1122 CA SER E 161 60.733 31.656 -4.949 1.00 34.83 C ATOM 1123 C SER E 161 60.183 33.005 -5.415 1.00 33.70 C ATOM 1124 O SER E 161 60.961 33.887 -5.705 1.00 34.16 O ATOM 1125 CB SER E 161 61.832 31.152 -5.902 1.00 37.27 C ATOM 1126 OG SER E 161 61.361 31.122 -7.246 1.00 36.64 O ATOM 1127 N SER E 162 58.858 33.174 -5.449 1.00 31.59 N ATOM 1128 CA SER E 162 58.261 34.448 -5.849 1.00 31.45 C ATOM 1129 C SER E 162 58.225 35.456 -4.682 1.00 29.61 C ATOM 1130 O SER E 162 58.072 35.072 -3.535 1.00 28.31 O ATOM 1131 CB SER E 162 56.826 34.282 -6.319 1.00 31.59 C ATOM 1132 OG SER E 162 56.699 33.237 -7.276 1.00 36.50 O ATOM 1133 N SER E 163 58.362 36.734 -5.001 1.00 27.59 N ATOM 1134 CA SER E 163 58.126 37.762 -4.007 1.00 25.95 C ATOM 1135 C SER E 163 56.648 37.785 -3.671 1.00 25.04 C ATOM 1136 O SER E 163 55.805 37.674 -4.559 1.00 24.42 O ATOM 1137 CB SER E 163 58.532 39.108 -4.551 1.00 25.89 C ATOM 1138 OG SER E 163 58.044 40.100 -3.670 1.00 25.15 O ATOM 1139 N THR E 164 56.307 37.940 -2.395 1.00 23.58 N ATOM 1140 CA THR E 164 54.900 38.085 -2.026 1.00 20.93 C ATOM 1141 C THR E 164 54.635 39.444 -1.325 1.00 20.98 C ATOM 1142 O THR E 164 53.573 39.658 -0.751 1.00 19.95 O ATOM 1143 CB THR E 164 54.436 36.975 -1.083 1.00 22.10 C ATOM 1144 OG1 THR E 164 55.201 37.013 0.131 1.00 18.52 O ATOM 1145 CG2 THR E 164 54.668 35.544 -1.683 1.00 21.39 C ATOM 1146 N VAL E 165 55.604 40.356 -1.380 1.00 19.72 N ATOM 1147 CA VAL E 165 55.424 41.685 -0.800 1.00 18.45 C ATOM 1148 C VAL E 165 54.338 42.432 -1.556 1.00 18.75 C ATOM 1149 O VAL E 165 54.374 42.511 -2.787 1.00 19.79 O ATOM 1150 CB VAL E 165 56.781 42.459 -0.853 1.00 19.17 C ATOM 1151 CG1 VAL E 165 56.635 43.938 -0.359 1.00 14.36 C ATOM 1152 CG2 VAL E 165 57.846 41.707 -0.098 1.00 17.57 C ATOM 1153 N GLY E 166 53.373 43.004 -0.859 1.00 17.82 N ATOM 1154 CA GLY E 166 52.349 43.775 -1.531 1.00 17.73 C ATOM 1155 C GLY E 166 52.709 45.252 -1.669 1.00 17.65 C ATOM 1156 O GLY E 166 53.772 45.733 -1.182 1.00 17.87 O ATOM 1157 N TYR E 167 51.806 45.974 -2.323 1.00 16.82 N ATOM 1158 CA TYR E 167 51.945 47.416 -2.538 1.00 15.88 C ATOM 1159 C TYR E 167 51.131 48.125 -1.455 1.00 16.28 C ATOM 1160 O TYR E 167 50.021 47.673 -1.117 1.00 14.35 O ATOM 1161 CB TYR E 167 51.331 47.817 -3.892 1.00 16.69 C ATOM 1162 CG TYR E 167 52.048 47.195 -5.052 1.00 18.75 C ATOM 1163 CD1 TYR E 167 53.116 47.839 -5.662 1.00 19.34 C ATOM 1164 CD2 TYR E 167 51.686 45.908 -5.494 1.00 23.57 C ATOM 1165 CE1 TYR E 167 53.814 47.235 -6.734 1.00 22.14 C ATOM 1166 CE2 TYR E 167 52.325 45.312 -6.579 1.00 22.23 C ATOM 1167 CZ TYR E 167 53.390 45.974 -7.187 1.00 23.93 C ATOM 1168 OH TYR E 167 54.043 45.349 -8.228 1.00 26.61 O ATOM 1169 N PRO E 168 51.565 49.304 -0.989 1.00 15.24 N ATOM 1170 CA PRO E 168 52.691 50.067 -1.523 1.00 14.70 C ATOM 1171 C PRO E 168 54.060 49.668 -0.971 1.00 14.36 C ATOM 1172 O PRO E 168 55.076 50.234 -1.417 1.00 15.27 O ATOM 1173 CB PRO E 168 52.330 51.519 -1.105 1.00 14.60 C ATOM 1174 CG PRO E 168 51.577 51.350 0.202 1.00 13.85 C ATOM 1175 CD PRO E 168 50.797 50.015 0.059 1.00 15.16 C ATOM 1176 N GLY E 169 54.131 48.654 -0.099 1.00 14.74 N ATOM 1177 CA GLY E 169 55.430 48.318 0.483 1.00 13.71 C ATOM 1178 C GLY E 169 56.431 47.933 -0.614 1.00 15.67 C ATOM 1179 O GLY E 169 57.648 48.165 -0.462 1.00 14.74 O ATOM 1180 N LYS E 170 55.923 47.339 -1.709 1.00 16.11 N ATOM 1181 CA LYS E 170 56.767 46.771 -2.782 1.00 17.08 C ATOM 1182 C LYS E 170 57.484 47.872 -3.576 1.00 17.88 C ATOM 1183 O LYS E 170 58.554 47.628 -4.197 1.00 18.87 O ATOM 1184 CB LYS E 170 55.884 45.901 -3.721 1.00 17.00 C ATOM 1185 CG LYS E 170 56.696 45.031 -4.688 1.00 20.91 C ATOM 1186 CD LYS E 170 55.834 44.058 -5.500 1.00 25.49 C ATOM 1187 CE LYS E 170 56.737 43.274 -6.457 1.00 29.19 C ATOM 1188 NZ LYS E 170 56.115 42.057 -7.048 1.00 32.30 N ATOM 1189 N TYR E 171 56.954 49.101 -3.535 1.00 17.28 N ATOM 1190 CA TYR E 171 57.665 50.232 -4.175 1.00 17.51 C ATOM 1191 C TYR E 171 59.000 50.584 -3.492 1.00 18.12 C ATOM 1192 O TYR E 171 59.049 50.703 -2.232 1.00 19.48 O ATOM 1193 CB TYR E 171 56.789 51.501 -4.220 1.00 16.97 C ATOM 1194 CG TYR E 171 55.538 51.376 -5.037 1.00 18.79 C ATOM 1195 CD1 TYR E 171 55.585 50.951 -6.387 1.00 20.01 C ATOM 1196 CD2 TYR E 171 54.297 51.634 -4.468 1.00 17.21 C ATOM 1197 CE1 TYR E 171 54.413 50.813 -7.120 1.00 19.86 C ATOM 1198 CE2 TYR E 171 53.105 51.546 -5.217 1.00 19.03 C ATOM 1199 CZ TYR E 171 53.187 51.135 -6.537 1.00 19.63 C ATOM 1200 OH TYR E 171 52.042 51.002 -7.275 1.00 21.03 O ATOM 1201 N PRO E 172 60.060 50.787 -4.276 1.00 16.90 N ATOM 1202 CA PRO E 172 61.397 51.132 -3.725 1.00 17.92 C ATOM 1203 C PRO E 172 61.402 52.367 -2.794 1.00 17.37 C ATOM 1204 O PRO E 172 62.162 52.377 -1.812 1.00 17.91 O ATOM 1205 CB PRO E 172 62.266 51.350 -4.997 1.00 18.47 C ATOM 1206 CG PRO E 172 61.591 50.396 -6.025 1.00 18.83 C ATOM 1207 CD PRO E 172 60.096 50.643 -5.763 1.00 18.05 C ATOM 1208 N SER E 173 60.534 53.359 -3.046 1.00 16.47 N ATOM 1209 CA SER E 173 60.582 54.538 -2.164 1.00 16.51 C ATOM 1210 C SER E 173 60.000 54.280 -0.730 1.00 16.20 C ATOM 1211 O SER E 173 60.175 55.124 0.152 1.00 15.92 O ATOM 1212 CB SER E 173 59.858 55.726 -2.794 1.00 15.61 C ATOM 1213 OG SER E 173 58.486 55.374 -2.976 1.00 16.31 O ATOM 1214 N VAL E 174 59.290 53.171 -0.536 1.00 14.24 N ATOM 1215 CA VAL E 174 58.578 52.859 0.724 1.00 14.66 C ATOM 1216 C VAL E 174 59.396 51.795 1.499 1.00 14.90 C ATOM 1217 O VAL E 174 59.940 50.865 0.900 1.00 14.22 O ATOM 1218 CB VAL E 174 57.127 52.298 0.391 1.00 14.59 C ATOM 1219 CG1 VAL E 174 56.361 51.832 1.631 1.00 13.59 C ATOM 1220 CG2 VAL E 174 56.308 53.376 -0.383 1.00 13.15 C ATOM 1221 N ILE E 175 59.541 51.946 2.813 1.00 12.09 N ATOM 1222 CA ILE E 175 60.215 50.913 3.597 1.00 12.10 C ATOM 1223 C ILE E 175 59.203 49.792 3.883 1.00 11.71 C ATOM 1224 O ILE E 175 58.230 50.034 4.613 1.00 10.96 O ATOM 1225 CB ILE E 175 60.712 51.560 4.916 1.00 11.37 C ATOM 1226 CG1 ILE E 175 61.746 52.704 4.593 1.00 10.50 C ATOM 1227 CG2 ILE E 175 61.301 50.499 5.945 1.00 13.94 C ATOM 1228 CD1 ILE E 175 61.881 53.684 5.816 1.00 10.43 C ATOM 1229 N ALA E 176 59.442 48.598 3.345 1.00 11.58 N ATOM 1230 CA ALA E 176 58.538 47.431 3.585 1.00 12.87 C ATOM 1231 C ALA E 176 58.997 46.647 4.788 1.00 12.36 C ATOM 1232 O ALA E 176 60.167 46.252 4.895 1.00 12.40 O ATOM 1233 CB ALA E 176 58.471 46.448 2.326 1.00 13.82 C ATOM 1234 N VAL E 177 58.054 46.437 5.704 1.00 12.31 N ATOM 1235 CA VAL E 177 58.384 45.841 7.007 1.00 12.47 C ATOM 1236 C VAL E 177 57.674 44.524 7.229 1.00 11.64 C ATOM 1237 O VAL E 177 56.448 44.465 7.163 1.00 12.94 O ATOM 1238 CB VAL E 177 57.953 46.805 8.157 1.00 11.66 C ATOM 1239 CG1 VAL E 177 58.346 46.207 9.553 1.00 11.08 C ATOM 1240 CG2 VAL E 177 58.589 48.265 7.885 1.00 9.65 C ATOM 1241 N GLY E 178 58.445 43.489 7.521 1.00 12.68 N ATOM 1242 CA GLY E 178 57.913 42.163 7.796 1.00 12.27 C ATOM 1243 C GLY E 178 57.872 41.951 9.294 1.00 14.15 C ATOM 1244 O GLY E 178 58.387 42.768 10.058 1.00 12.93 O ATOM 1245 N ALA E 179 57.302 40.828 9.714 1.00 12.59 N ATOM 1246 CA ALA E 179 56.998 40.595 11.138 1.00 13.16 C ATOM 1247 C ALA E 179 57.820 39.446 11.697 1.00 13.91 C ATOM 1248 O ALA E 179 57.840 38.344 11.109 1.00 14.31 O ATOM 1249 CB ALA E 179 55.521 40.271 11.316 1.00 13.45 C ATOM 1250 N VAL E 180 58.441 39.682 12.849 1.00 12.95 N ATOM 1251 CA VAL E 180 59.007 38.599 13.643 1.00 12.56 C ATOM 1252 C VAL E 180 58.283 38.449 14.976 1.00 13.69 C ATOM 1253 O VAL E 180 57.504 39.321 15.366 1.00 14.22 O ATOM 1254 CB VAL E 180 60.549 38.761 13.878 1.00 10.77 C ATOM 1255 CG1 VAL E 180 61.302 38.706 12.575 1.00 11.75 C ATOM 1256 CG2 VAL E 180 60.837 40.104 14.645 1.00 12.49 C ATOM 1257 N ASP E 181 58.546 37.347 15.695 1.00 13.48 N ATOM 1258 CA ASP E 181 58.035 37.239 17.063 1.00 14.47 C ATOM 1259 C ASP E 181 59.118 37.625 18.097 1.00 13.82 C ATOM 1260 O ASP E 181 60.191 38.136 17.740 1.00 12.29 O ATOM 1261 CB ASP E 181 57.476 35.814 17.300 1.00 15.05 C ATOM 1262 CG ASP E 181 58.520 34.761 17.146 1.00 18.19 C ATOM 1263 OD1 ASP E 181 59.731 35.070 17.302 1.00 15.91 O ATOM 1264 OD2 ASP E 181 58.221 33.577 16.840 1.00 19.04 O ATOM 1265 N SER E 182 58.866 37.351 19.374 1.00 15.53 N ATOM 1266 CA SER E 182 59.783 37.735 20.439 1.00 18.15 C ATOM 1267 C SER E 182 61.099 36.959 20.460 1.00 19.95 C ATOM 1268 O SER E 182 62.023 37.347 21.189 1.00 20.54 O ATOM 1269 CB SER E 182 59.097 37.602 21.850 1.00 20.14 C ATOM 1270 OG SER E 182 58.792 36.234 22.119 1.00 19.45 O ATOM 1271 N SER E 183 61.200 35.877 19.683 1.00 19.23 N ATOM 1272 CA SER E 183 62.456 35.157 19.541 1.00 19.88 C ATOM 1273 C SER E 183 63.158 35.541 18.248 1.00 19.39 C ATOM 1274 O SER E 183 64.169 34.899 17.865 1.00 19.44 O ATOM 1275 CB SER E 183 62.229 33.622 19.551 1.00 20.80 C ATOM 1276 OG ASER E 183 61.387 33.220 20.623 0.67 21.89 O ATOM 1277 OG BSER E 183 61.401 33.261 18.473 0.33 20.93 O ATOM 1278 N ASN E 184 62.611 36.549 17.545 1.00 18.07 N ATOM 1279 CA ASN E 184 63.179 36.991 16.247 1.00 18.06 C ATOM 1280 C ASN E 184 62.972 36.044 15.057 1.00 18.12 C ATOM 1281 O ASN E 184 63.680 36.167 14.038 1.00 17.76 O ATOM 1282 CB ASN E 184 64.672 37.331 16.374 1.00 18.65 C ATOM 1283 CG ASN E 184 64.892 38.668 17.075 1.00 22.35 C ATOM 1284 OD1 ASN E 184 64.020 39.537 17.050 1.00 24.67 O ATOM 1285 ND2 ASN E 184 66.067 38.851 17.658 1.00 21.76 N ATOM 1286 N GLN E 185 62.010 35.131 15.186 1.00 17.71 N ATOM 1287 CA GLN E 185 61.643 34.208 14.111 1.00 18.44 C ATOM 1288 C GLN E 185 60.607 34.880 13.269 1.00 18.08 C ATOM 1289 O GLN E 185 59.660 35.447 13.809 1.00 16.27 O ATOM 1290 CB GLN E 185 60.960 32.957 14.709 1.00 20.85 C ATOM 1291 CG GLN E 185 61.897 31.909 15.155 1.00 28.85 C ATOM 1292 CD GLN E 185 62.667 31.302 13.993 1.00 40.96 C ATOM 1293 OE1 GLN E 185 62.072 30.679 13.077 1.00 44.09 O ATOM 1294 NE2 GLN E 185 63.999 31.494 14.006 1.00 43.62 N ATOM 1295 N ARG E 186 60.753 34.785 11.951 1.00 17.30 N ATOM 1296 CA ARG E 186 59.799 35.326 11.024 1.00 19.19 C ATOM 1297 C ARG E 186 58.443 34.700 11.336 1.00 18.22 C ATOM 1298 O ARG E 186 58.346 33.479 11.526 1.00 18.77 O ATOM 1299 CB ARG E 186 60.240 34.886 9.620 1.00 19.40 C ATOM 1300 CG ARG E 186 59.439 35.327 8.537 1.00 23.91 C ATOM 1301 CD ARG E 186 59.877 34.666 7.166 1.00 23.61 C ATOM 1302 NE ARG E 186 58.630 34.611 6.463 1.00 21.48 N ATOM 1303 CZ ARG E 186 57.834 33.551 6.352 1.00 22.38 C ATOM 1304 NH1 ARG E 186 58.179 32.361 6.813 1.00 18.90 N ATOM 1305 NH2 ARG E 186 56.668 33.703 5.751 1.00 21.20 N ATOM 1306 N ALA E 187 57.398 35.504 11.401 1.00 17.40 N ATOM 1307 CA ALA E 187 56.035 34.964 11.518 1.00 18.13 C ATOM 1308 C ALA E 187 55.703 34.201 10.209 1.00 18.45 C ATOM 1309 O ALA E 187 56.095 34.636 9.138 1.00 16.62 O ATOM 1310 CB ALA E 187 55.046 36.119 11.681 1.00 17.93 C ATOM 1311 N SER E 188 54.965 33.085 10.278 1.00 19.45 N ATOM 1312 CA SER E 188 54.738 32.303 9.039 1.00 20.07 C ATOM 1313 C SER E 188 53.944 33.058 7.963 1.00 19.32 C ATOM 1314 O SER E 188 54.166 32.828 6.779 1.00 20.20 O ATOM 1315 CB SER E 188 54.061 30.951 9.362 1.00 20.00 C ATOM 1316 OG SER E 188 52.758 31.228 9.868 1.00 25.40 O ATOM 1317 N PHE E 189 53.016 33.943 8.356 1.00 18.47 N ATOM 1318 CA PHE E 189 52.255 34.765 7.408 1.00 18.44 C ATOM 1319 C PHE E 189 53.058 35.933 6.768 1.00 18.20 C ATOM 1320 O PHE E 189 52.601 36.552 5.798 1.00 19.50 O ATOM 1321 CB PHE E 189 50.994 35.367 8.102 1.00 17.49 C ATOM 1322 CG PHE E 189 51.309 36.230 9.324 1.00 19.53 C ATOM 1323 CD1 PHE E 189 51.814 37.536 9.166 1.00 18.93 C ATOM 1324 CD2 PHE E 189 51.079 35.745 10.626 1.00 19.10 C ATOM 1325 CE1 PHE E 189 52.146 38.315 10.284 1.00 15.72 C ATOM 1326 CE2 PHE E 189 51.378 36.516 11.747 1.00 19.40 C ATOM 1327 CZ PHE E 189 51.942 37.790 11.588 1.00 17.08 C ATOM 1328 N SER E 190 54.211 36.276 7.301 1.00 18.61 N ATOM 1329 CA SER E 190 54.971 37.489 6.866 1.00 17.80 C ATOM 1330 C SER E 190 55.463 37.390 5.406 1.00 18.29 C ATOM 1331 O SER E 190 56.184 36.448 5.064 1.00 18.80 O ATOM 1332 CB SER E 190 56.195 37.697 7.783 1.00 18.33 C ATOM 1333 OG SER E 190 56.873 38.927 7.504 1.00 17.32 O ATOM 1334 N SER E 191 55.120 38.372 4.575 1.00 18.37 N ATOM 1335 CA SER E 191 55.498 38.357 3.142 1.00 18.48 C ATOM 1336 C SER E 191 56.980 38.321 2.951 1.00 18.64 C ATOM 1337 O SER E 191 57.752 38.723 3.850 1.00 19.15 O ATOM 1338 CB SER E 191 54.920 39.559 2.397 1.00 17.56 C ATOM 1339 OG SER E 191 53.568 39.306 2.128 1.00 18.53 O ATOM 1340 N VAL E 192 57.407 37.786 1.801 1.00 19.08 N ATOM 1341 CA VAL E 192 58.834 37.598 1.558 1.00 18.20 C ATOM 1342 C VAL E 192 59.205 38.140 0.185 1.00 18.43 C ATOM 1343 O VAL E 192 58.331 38.407 -0.636 1.00 17.90 O ATOM 1344 CB VAL E 192 59.257 36.092 1.717 1.00 18.94 C ATOM 1345 CG1 VAL E 192 59.079 35.634 3.165 1.00 16.57 C ATOM 1346 CG2 VAL E 192 58.480 35.193 0.694 1.00 16.00 C ATOM 1347 N GLY E 193 60.487 38.333 -0.060 1.00 19.36 N ATOM 1348 CA GLY E 193 60.905 38.839 -1.376 1.00 19.96 C ATOM 1349 C GLY E 193 62.049 39.822 -1.281 1.00 21.08 C ATOM 1350 O GLY E 193 62.360 40.314 -0.179 1.00 21.46 O ATOM 1351 N PRO E 194 62.683 40.149 -2.418 1.00 20.51 N ATOM 1352 CA PRO E 194 63.797 41.093 -2.381 1.00 20.36 C ATOM 1353 C PRO E 194 63.340 42.506 -1.935 1.00 19.19 C ATOM 1354 O PRO E 194 64.199 43.273 -1.516 1.00 19.62 O ATOM 1355 CB PRO E 194 64.347 41.082 -3.827 1.00 19.87 C ATOM 1356 CG PRO E 194 63.305 40.445 -4.702 1.00 21.08 C ATOM 1357 CD PRO E 194 62.433 39.611 -3.785 1.00 21.49 C ATOM 1358 N GLU E 195 62.049 42.815 -1.986 1.00 18.88 N ATOM 1359 CA GLU E 195 61.540 44.150 -1.532 1.00 18.40 C ATOM 1360 C GLU E 195 61.396 44.263 -0.008 1.00 17.71 C ATOM 1361 O GLU E 195 61.107 45.356 0.526 1.00 19.12 O ATOM 1362 CB GLU E 195 60.186 44.460 -2.184 1.00 18.15 C ATOM 1363 CG GLU E 195 60.270 44.381 -3.727 1.00 21.46 C ATOM 1364 CD GLU E 195 60.056 42.966 -4.288 1.00 25.61 C ATOM 1365 OE1 GLU E 195 59.858 41.998 -3.494 1.00 23.96 O ATOM 1366 OE2 GLU E 195 60.078 42.823 -5.560 1.00 28.11 O ATOM 1367 N LEU E 196 61.539 43.147 0.699 1.00 16.30 N ATOM 1368 CA LEU E 196 61.390 43.176 2.139 1.00 15.97 C ATOM 1369 C LEU E 196 62.572 43.964 2.656 1.00 16.44 C ATOM 1370 O LEU E 196 63.720 43.582 2.379 1.00 16.19 O ATOM 1371 CB LEU E 196 61.480 41.744 2.673 1.00 16.46 C ATOM 1372 CG LEU E 196 61.294 41.443 4.137 1.00 18.31 C ATOM 1373 CD1 LEU E 196 60.043 42.178 4.723 1.00 18.13 C ATOM 1374 CD2 LEU E 196 61.174 39.863 4.322 1.00 17.23 C ATOM 1375 N ASP E 197 62.354 45.027 3.451 1.00 14.68 N ATOM 1376 CA ASP E 197 63.499 45.829 3.859 1.00 13.29 C ATOM 1377 C ASP E 197 63.966 45.481 5.266 1.00 13.68 C ATOM 1378 O ASP E 197 65.168 45.153 5.476 1.00 13.54 O ATOM 1379 CB ASP E 197 63.110 47.303 3.746 1.00 13.46 C ATOM 1380 CG ASP E 197 64.290 48.243 3.826 1.00 15.74 C ATOM 1381 OD1 ASP E 197 65.469 47.798 3.822 1.00 17.58 O ATOM 1382 OD2 ASP E 197 64.127 49.500 3.879 1.00 19.64 O ATOM 1383 N VAL E 198 63.066 45.588 6.259 1.00 12.30 N ATOM 1384 CA VAL E 198 63.459 45.321 7.662 1.00 11.97 C ATOM 1385 C VAL E 198 62.336 44.586 8.339 1.00 12.96 C ATOM 1386 O VAL E 198 61.197 44.488 7.819 1.00 14.18 O ATOM 1387 CB VAL E 198 63.762 46.633 8.446 1.00 12.12 C ATOM 1388 CG1 VAL E 198 64.903 47.491 7.736 1.00 12.18 C ATOM 1389 CG2 VAL E 198 62.429 47.497 8.595 1.00 9.67 C ATOM 1390 N MET E 199 62.629 44.072 9.515 1.00 12.41 N ATOM 1391 CA MET E 199 61.615 43.366 10.276 1.00 12.99 C ATOM 1392 C MET E 199 61.364 44.121 11.591 1.00 11.99 C ATOM 1393 O MET E 199 62.269 44.816 12.120 1.00 11.95 O ATOM 1394 CB MET E 199 62.112 41.982 10.722 1.00 12.75 C ATOM 1395 CG MET E 199 62.675 41.051 9.605 1.00 15.95 C ATOM 1396 SD MET E 199 61.416 40.785 8.318 1.00 15.86 S ATOM 1397 CE MET E 199 60.565 39.321 8.973 1.00 16.47 C ATOM 1398 N ALA E 200 60.200 43.876 12.180 1.00 10.82 N ATOM 1399 CA ALA E 200 59.907 44.402 13.532 1.00 10.95 C ATOM 1400 C ALA E 200 58.886 43.462 14.151 1.00 10.51 C ATOM 1401 O ALA E 200 58.331 42.615 13.455 1.00 11.33 O ATOM 1402 CB ALA E 200 59.301 45.824 13.434 1.00 10.13 C ATOM 1403 N PRO E 201 58.679 43.537 15.465 1.00 11.58 N ATOM 1404 CA PRO E 201 57.739 42.600 16.119 1.00 10.66 C ATOM 1405 C PRO E 201 56.313 42.724 15.583 1.00 11.45 C ATOM 1406 O PRO E 201 55.778 43.850 15.488 1.00 10.53 O ATOM 1407 CB PRO E 201 57.740 43.058 17.585 1.00 11.78 C ATOM 1408 CG PRO E 201 59.194 43.633 17.791 1.00 11.23 C ATOM 1409 CD PRO E 201 59.357 44.446 16.429 1.00 10.79 C ATOM 1410 N GLY E 202 55.691 41.570 15.247 1.00 10.53 N ATOM 1411 CA GLY E 202 54.347 41.610 14.693 1.00 12.42 C ATOM 1412 C GLY E 202 53.548 40.410 15.114 1.00 13.02 C ATOM 1413 O GLY E 202 52.573 40.065 14.429 1.00 15.34 O ATOM 1414 N VAL E 203 53.950 39.797 16.231 1.00 13.78 N ATOM 1415 CA VAL E 203 53.199 38.655 16.805 1.00 13.54 C ATOM 1416 C VAL E 203 52.780 38.986 18.232 1.00 13.58 C ATOM 1417 O VAL E 203 53.625 39.319 19.056 1.00 14.91 O ATOM 1418 CB VAL E 203 54.049 37.343 16.777 1.00 14.36 C ATOM 1419 CG1 VAL E 203 53.260 36.174 17.422 1.00 13.24 C ATOM 1420 CG2 VAL E 203 54.447 36.998 15.293 1.00 14.93 C ATOM 1421 N SER E 204 51.473 38.872 18.525 1.00 14.30 N ATOM 1422 CA SER E 204 50.959 39.061 19.886 1.00 13.63 C ATOM 1423 C SER E 204 51.415 40.445 20.431 1.00 12.70 C ATOM 1424 O SER E 204 51.939 40.559 21.544 1.00 12.34 O ATOM 1425 CB SER E 204 51.403 37.910 20.812 1.00 14.93 C ATOM 1426 OG ASER E 204 51.021 36.630 20.294 0.67 15.22 O ATOM 1427 OG BSER E 204 50.782 38.063 22.052 0.33 14.18 O ATOM 1428 N ILE E 205 51.135 41.471 19.648 1.00 12.39 N ATOM 1429 CA ILE E 205 51.466 42.874 19.958 1.00 11.84 C ATOM 1430 C ILE E 205 50.305 43.558 20.691 1.00 11.61 C ATOM 1431 O ILE E 205 49.216 43.779 20.124 1.00 11.42 O ATOM 1432 CB ILE E 205 51.803 43.654 18.638 1.00 11.22 C ATOM 1433 CG1 ILE E 205 52.964 42.987 17.871 1.00 11.05 C ATOM 1434 CG2 ILE E 205 52.124 45.185 18.942 1.00 9.73 C ATOM 1435 CD1 ILE E 205 54.257 42.686 18.719 1.00 10.21 C ATOM 1436 N GLN E 206 50.524 43.873 21.966 1.00 10.16 N ATOM 1437 CA GLN E 206 49.501 44.526 22.765 1.00 11.20 C ATOM 1438 C GLN E 206 49.454 46.009 22.430 1.00 12.18 C ATOM 1439 O GLN E 206 50.492 46.664 22.344 1.00 10.75 O ATOM 1440 CB GLN E 206 49.836 44.382 24.259 1.00 11.85 C ATOM 1441 CG GLN E 206 49.530 42.996 24.791 1.00 16.25 C ATOM 1442 CD GLN E 206 47.992 42.738 24.982 1.00 18.15 C ATOM 1443 OE1 GLN E 206 47.166 43.681 24.900 1.00 17.23 O ATOM 1444 NE2 GLN E 206 47.632 41.469 25.276 1.00 22.23 N ATOM 1445 N SER E 207 48.248 46.549 22.239 1.00 11.54 N ATOM 1446 CA SER E 207 48.162 47.991 21.958 1.00 11.64 C ATOM 1447 C SER E 207 46.703 48.446 22.259 1.00 11.34 C ATOM 1448 O SER E 207 45.868 47.636 22.666 1.00 10.73 O ATOM 1449 CB SER E 207 48.522 48.279 20.468 1.00 11.22 C ATOM 1450 OG SER E 207 48.537 49.682 20.217 1.00 12.19 O ATOM 1451 N THR E 208 46.437 49.730 22.042 1.00 12.03 N ATOM 1452 CA THR E 208 45.107 50.347 22.246 1.00 12.17 C ATOM 1453 C THR E 208 44.069 49.883 21.239 1.00 12.31 C ATOM 1454 O THR E 208 44.380 49.754 20.079 1.00 11.56 O ATOM 1455 CB THR E 208 45.264 51.858 22.106 1.00 12.03 C ATOM 1456 OG1 THR E 208 46.029 52.118 20.894 1.00 13.51 O ATOM 1457 CG2 THR E 208 46.142 52.386 23.333 1.00 10.06 C ATOM 1458 N LEU E 209 42.850 49.641 21.717 1.00 12.37 N ATOM 1459 CA LEU E 209 41.666 49.330 20.872 1.00 13.53 C ATOM 1460 C LEU E 209 40.521 50.295 21.239 1.00 13.42 C ATOM 1461 O LEU E 209 40.460 50.795 22.381 1.00 13.47 O ATOM 1462 CB LEU E 209 41.240 47.878 21.076 1.00 11.46 C ATOM 1463 CG LEU E 209 42.252 46.864 20.543 1.00 12.50 C ATOM 1464 CD1 LEU E 209 41.912 45.383 21.034 1.00 13.42 C ATOM 1465 CD2 LEU E 209 42.320 46.922 18.997 1.00 12.43 C ATOM 1466 N PRO E 210 39.622 50.565 20.296 1.00 14.44 N ATOM 1467 CA PRO E 210 38.523 51.513 20.549 1.00 15.40 C ATOM 1468 C PRO E 210 37.671 51.184 21.789 1.00 16.34 C ATOM 1469 O PRO E 210 37.493 50.000 22.167 1.00 16.55 O ATOM 1470 CB PRO E 210 37.684 51.456 19.257 1.00 15.07 C ATOM 1471 CG PRO E 210 38.741 51.018 18.142 1.00 15.10 C ATOM 1472 CD PRO E 210 39.568 49.972 18.929 1.00 13.78 C ATOM 1473 N GLY E 211 37.111 52.231 22.389 1.00 16.51 N ATOM 1474 CA GLY E 211 36.243 52.048 23.549 1.00 16.44 C ATOM 1475 C GLY E 211 37.094 51.794 24.787 1.00 16.27 C ATOM 1476 O GLY E 211 36.698 51.029 25.665 1.00 15.01 O ATOM 1477 N ASN E 212 38.304 52.380 24.820 1.00 15.42 N ATOM 1478 CA ASN E 212 39.170 52.260 25.986 1.00 15.92 C ATOM 1479 C ASN E 212 39.512 50.818 26.311 1.00 15.97 C ATOM 1480 O ASN E 212 39.402 50.369 27.476 1.00 16.03 O ATOM 1481 CB ASN E 212 38.551 52.981 27.213 1.00 16.23 C ATOM 1482 CG ASN E 212 39.524 53.040 28.407 1.00 17.94 C ATOM 1483 OD1 ASN E 212 40.749 53.020 28.222 1.00 18.90 O ATOM 1484 ND2 ASN E 212 38.988 53.044 29.618 1.00 19.66 N ATOM 1485 N LYS E 213 39.951 50.080 25.283 1.00 14.41 N ATOM 1486 CA LYS E 213 40.339 48.660 25.446 1.00 14.02 C ATOM 1487 C LYS E 213 41.812 48.498 25.034 1.00 12.49 C ATOM 1488 O LYS E 213 42.428 49.460 24.571 1.00 12.74 O ATOM 1489 CB LYS E 213 39.430 47.744 24.562 1.00 15.20 C ATOM 1490 CG LYS E 213 37.904 47.762 24.933 1.00 16.59 C ATOM 1491 CD LYS E 213 37.701 47.135 26.355 1.00 22.40 C ATOM 1492 CE LYS E 213 36.186 46.922 26.777 1.00 26.94 C ATOM 1493 NZ ALYS E 213 36.121 46.180 28.136 0.50 20.68 N ATOM 1494 NZ BLYS E 213 35.469 48.210 26.559 0.50 19.81 N ATOM 1495 N TYR E 214 42.375 47.311 25.276 1.00 12.10 N ATOM 1496 CA TYR E 214 43.700 46.916 24.798 1.00 13.49 C ATOM 1497 C TYR E 214 43.593 45.487 24.307 1.00 13.61 C ATOM 1498 O TYR E 214 42.678 44.764 24.730 1.00 14.56 O ATOM 1499 CB TYR E 214 44.742 46.938 25.959 1.00 12.43 C ATOM 1500 CG TYR E 214 44.796 48.305 26.577 1.00 12.93 C ATOM 1501 CD1 TYR E 214 45.667 49.295 26.075 1.00 13.02 C ATOM 1502 CD2 TYR E 214 43.913 48.656 27.641 1.00 15.54 C ATOM 1503 CE1 TYR E 214 45.685 50.617 26.629 1.00 12.60 C ATOM 1504 CE2 TYR E 214 43.943 49.976 28.209 1.00 14.86 C ATOM 1505 CZ TYR E 214 44.840 50.931 27.696 1.00 12.53 C ATOM 1506 OH TYR E 214 44.835 52.215 28.235 1.00 11.19 O ATOM 1507 N GLY E 215 44.527 45.053 23.464 1.00 13.46 N ATOM 1508 CA GLY E 215 44.461 43.693 23.002 1.00 13.68 C ATOM 1509 C GLY E 215 45.650 43.365 22.132 1.00 12.92 C ATOM 1510 O GLY E 215 46.242 44.255 21.561 1.00 12.08 O ATOM 1511 N ALA E 216 45.945 42.080 22.029 1.00 11.76 N ATOM 1512 CA ALA E 216 47.072 41.579 21.267 1.00 13.23 C ATOM 1513 C ALA E 216 46.647 41.257 19.823 1.00 14.21 C ATOM 1514 O ALA E 216 45.763 40.403 19.623 1.00 14.61 O ATOM 1515 CB ALA E 216 47.610 40.290 21.944 1.00 13.63 C ATOM 1516 N TYR E 217 47.248 41.937 18.843 1.00 13.18 N ATOM 1517 CA TYR E 217 46.987 41.649 17.408 1.00 13.33 C ATOM 1518 C TYR E 217 48.254 41.118 16.766 1.00 14.00 C ATOM 1519 O TYR E 217 49.359 41.245 17.344 1.00 13.67 O ATOM 1520 CB TYR E 217 46.578 42.924 16.653 1.00 12.49 C ATOM 1521 CG TYR E 217 45.110 43.324 16.750 1.00 12.73 C ATOM 1522 CD1 TYR E 217 44.252 42.764 17.688 1.00 13.29 C ATOM 1523 CD2 TYR E 217 44.588 44.255 15.852 1.00 12.49 C ATOM 1524 CE1 TYR E 217 42.907 43.161 17.762 1.00 15.05 C ATOM 1525 CE2 TYR E 217 43.238 44.630 15.879 1.00 14.77 C ATOM 1526 CZ TYR E 217 42.413 44.087 16.845 1.00 12.81 C ATOM 1527 OH TYR E 217 41.077 44.435 16.871 1.00 15.11 O ATOM 1528 N ASN E 218 48.103 40.528 15.558 1.00 13.45 N ATOM 1529 CA ASN E 218 49.211 39.910 14.825 1.00 14.42 C ATOM 1530 C ASN E 218 49.164 40.524 13.443 1.00 13.02 C ATOM 1531 O ASN E 218 48.097 40.845 12.972 1.00 14.50 O ATOM 1532 CB ASN E 218 49.000 38.381 14.692 1.00 13.82 C ATOM 1533 CG ASN E 218 48.899 37.693 16.062 1.00 17.34 C ATOM 1534 OD1 ASN E 218 49.853 37.617 16.784 1.00 17.29 O ATOM 1535 ND2 ASN E 218 47.728 37.168 16.384 1.00 22.11 N ATOM 1536 N GLY E 219 50.293 40.669 12.799 1.00 13.53 N ATOM 1537 CA GLY E 219 50.315 41.045 11.383 1.00 12.35 C ATOM 1538 C GLY E 219 51.530 41.861 11.029 1.00 11.83 C ATOM 1539 O GLY E 219 52.161 42.473 11.916 1.00 12.31 O ATOM 1540 N THR E 220 51.843 41.971 9.740 1.00 11.52 N ATOM 1541 CA THR E 220 52.849 42.961 9.384 1.00 12.11 C ATOM 1542 C THR E 220 52.279 44.368 9.660 1.00 11.61 C ATOM 1543 O THR E 220 53.070 45.302 9.771 1.00 12.51 O ATOM 1544 CB THR E 220 53.357 42.827 7.915 1.00 12.56 C ATOM 1545 OG1 THR E 220 52.240 42.735 7.018 1.00 12.20 O ATOM 1546 CG2 THR E 220 54.143 41.510 7.721 1.00 11.32 C ATOM 1547 N SER E 221 50.948 44.525 9.756 1.00 11.63 N ATOM 1548 CA SER E 221 50.375 45.803 10.238 1.00 12.34 C ATOM 1549 C SER E 221 50.937 46.246 11.609 1.00 11.62 C ATOM 1550 O SER E 221 50.995 47.439 11.889 1.00 12.09 O ATOM 1551 CB SER E 221 48.870 45.719 10.462 1.00 11.19 C ATOM 1552 OG SER E 221 48.172 45.845 9.252 1.00 11.60 O ATOM 1553 N MET E 222 51.246 45.273 12.468 1.00 11.30 N ATOM 1554 CA MET E 222 51.719 45.579 13.804 1.00 11.32 C ATOM 1555 C MET E 222 53.225 45.844 13.761 1.00 12.72 C ATOM 1556 O MET E 222 53.745 46.510 14.646 1.00 12.72 O ATOM 1557 CB MET E 222 51.466 44.361 14.748 1.00 12.21 C ATOM 1558 CG MET E 222 49.992 44.275 15.248 1.00 11.42 C ATOM 1559 SD MET E 222 48.686 44.078 13.903 1.00 13.12 S ATOM 1560 CE MET E 222 47.960 45.672 13.861 1.00 9.48 C ATOM 1561 N ALA E 223 53.923 45.304 12.748 1.00 11.40 N ATOM 1562 CA ALA E 223 55.362 45.486 12.663 1.00 11.53 C ATOM 1563 C ALA E 223 55.658 46.921 12.169 1.00 10.98 C ATOM 1564 O ALA E 223 56.504 47.611 12.696 1.00 11.29 O ATOM 1565 CB ALA E 223 56.000 44.411 11.685 1.00 10.56 C ATOM 1566 N SER E 224 54.978 47.318 11.109 1.00 10.54 N ATOM 1567 CA SER E 224 55.193 48.633 10.455 1.00 11.36 C ATOM 1568 C SER E 224 55.220 49.816 11.451 1.00 10.71 C ATOM 1569 O SER E 224 56.149 50.603 11.365 1.00 11.36 O ATOM 1570 CB SER E 224 54.127 48.860 9.375 1.00 11.22 C ATOM 1571 OG SER E 224 54.289 50.091 8.665 1.00 12.15 O ATOM 1572 N PRO E 225 54.249 49.974 12.363 1.00 10.55 N ATOM 1573 CA PRO E 225 54.310 51.129 13.278 1.00 9.16 C ATOM 1574 C PRO E 225 55.481 51.061 14.270 1.00 11.10 C ATOM 1575 O PRO E 225 55.857 52.125 14.755 1.00 11.24 O ATOM 1576 CB PRO E 225 52.925 51.105 14.024 1.00 8.98 C ATOM 1577 CG PRO E 225 52.529 49.566 13.900 1.00 7.42 C ATOM 1578 CD PRO E 225 52.967 49.253 12.496 1.00 9.61 C ATOM 1579 N HIS E 226 56.088 49.898 14.533 1.00 10.39 N ATOM 1580 CA HIS E 226 57.333 49.937 15.325 1.00 9.89 C ATOM 1581 C HIS E 226 58.381 50.743 14.566 1.00 9.99 C ATOM 1582 O HIS E 226 59.157 51.492 15.157 1.00 10.02 O ATOM 1583 CB HIS E 226 57.892 48.522 15.585 1.00 8.92 C ATOM 1584 CG HIS E 226 57.120 47.753 16.630 1.00 10.22 C ATOM 1585 ND1 HIS E 226 56.000 47.002 16.328 1.00 10.86 N ATOM 1586 CD2 HIS E 226 57.356 47.558 17.952 1.00 9.86 C ATOM 1587 CE1 HIS E 226 55.534 46.440 17.434 1.00 10.84 C ATOM 1588 NE2 HIS E 226 56.349 46.739 18.430 1.00 10.55 N ATOM 1589 N VAL E 227 58.405 50.555 13.259 1.00 8.52 N ATOM 1590 CA VAL E 227 59.388 51.239 12.412 1.00 10.25 C ATOM 1591 C VAL E 227 58.989 52.722 12.190 1.00 9.86 C ATOM 1592 O VAL E 227 59.875 53.595 12.185 1.00 9.94 O ATOM 1593 CB VAL E 227 59.568 50.495 11.048 1.00 9.98 C ATOM 1594 CG1 VAL E 227 60.606 51.206 10.123 1.00 8.17 C ATOM 1595 CG2 VAL E 227 60.033 49.040 11.292 1.00 9.73 C ATOM 1596 N ALA E 228 57.699 53.005 11.987 1.00 9.79 N ATOM 1597 CA ALA E 228 57.261 54.414 11.900 1.00 9.82 C ATOM 1598 C ALA E 228 57.614 55.113 13.217 1.00 10.47 C ATOM 1599 O ALA E 228 58.145 56.248 13.216 1.00 11.28 O ATOM 1600 CB ALA E 228 55.760 54.525 11.629 1.00 8.99 C ATOM 1601 N GLY E 229 57.226 54.508 14.344 1.00 10.73 N ATOM 1602 CA GLY E 229 57.601 55.034 15.676 1.00 10.28 C ATOM 1603 C GLY E 229 59.109 55.233 15.801 1.00 10.39 C ATOM 1604 O GLY E 229 59.598 56.274 16.307 1.00 10.98 O ATOM 1605 N ALA E 230 59.879 54.259 15.334 1.00 9.12 N ATOM 1606 CA ALA E 230 61.367 54.403 15.421 1.00 9.32 C ATOM 1607 C ALA E 230 61.850 55.627 14.621 1.00 9.75 C ATOM 1608 O ALA E 230 62.739 56.344 15.045 1.00 10.71 O ATOM 1609 CB ALA E 230 62.076 53.119 14.941 1.00 9.74 C ATOM 1610 N ALA E 231 61.302 55.833 13.435 1.00 8.70 N ATOM 1611 CA ALA E 231 61.654 56.976 12.621 1.00 10.22 C ATOM 1612 C ALA E 231 61.359 58.284 13.393 1.00 10.57 C ATOM 1613 O ALA E 231 62.152 59.257 13.317 1.00 9.92 O ATOM 1614 CB ALA E 231 60.809 56.972 11.301 1.00 9.46 C ATOM 1615 N ALA E 232 60.218 58.329 14.098 1.00 10.35 N ATOM 1616 CA ALA E 232 59.905 59.496 14.907 1.00 8.98 C ATOM 1617 C ALA E 232 60.903 59.654 16.048 1.00 10.01 C ATOM 1618 O ALA E 232 61.273 60.790 16.357 1.00 9.47 O ATOM 1619 CB ALA E 232 58.427 59.421 15.456 1.00 9.96 C ATOM 1620 N LEU E 233 61.331 58.565 16.733 1.00 9.76 N ATOM 1621 CA LEU E 233 62.351 58.744 17.774 1.00 9.75 C ATOM 1622 C LEU E 233 63.642 59.337 17.185 1.00 11.41 C ATOM 1623 O LEU E 233 64.285 60.214 17.801 1.00 11.68 O ATOM 1624 CB LEU E 233 62.722 57.393 18.412 1.00 10.12 C ATOM 1625 CG LEU E 233 61.574 56.800 19.287 1.00 11.14 C ATOM 1626 CD1 LEU E 233 62.053 55.384 19.787 1.00 7.66 C ATOM 1627 CD2 LEU E 233 61.278 57.732 20.447 1.00 9.12 C ATOM 1628 N ILE E 234 64.073 58.785 16.048 1.00 10.04 N ATOM 1629 CA ILE E 234 65.331 59.196 15.427 1.00 10.55 C ATOM 1630 C ILE E 234 65.236 60.688 15.048 1.00 11.25 C ATOM 1631 O ILE E 234 66.158 61.455 15.303 1.00 11.30 O ATOM 1632 CB ILE E 234 65.593 58.352 14.196 1.00 10.08 C ATOM 1633 CG1 ILE E 234 65.913 56.908 14.649 1.00 9.28 C ATOM 1634 CG2 ILE E 234 66.810 58.975 13.364 1.00 11.30 C ATOM 1635 CD1 ILE E 234 65.754 55.868 13.461 1.00 10.28 C ATOM 1636 N LEU E 235 64.124 61.080 14.422 1.00 10.87 N ATOM 1637 CA LEU E 235 63.896 62.493 14.104 1.00 10.68 C ATOM 1638 C LEU E 235 63.854 63.432 15.335 1.00 12.14 C ATOM 1639 O LEU E 235 64.347 64.588 15.255 1.00 12.39 O ATOM 1640 CB LEU E 235 62.636 62.670 13.250 1.00 10.45 C ATOM 1641 CG LEU E 235 62.805 62.184 11.802 1.00 11.97 C ATOM 1642 CD1 LEU E 235 61.409 62.064 11.089 1.00 15.02 C ATOM 1643 CD2 LEU E 235 63.804 63.142 11.026 1.00 13.60 C ATOM 1644 N SER E 236 63.300 62.966 16.458 1.00 12.13 N ATOM 1645 CA SER E 236 63.304 63.807 17.680 1.00 12.00 C ATOM 1646 C SER E 236 64.693 63.978 18.207 1.00 12.56 C ATOM 1647 O SER E 236 65.001 65.035 18.801 1.00 14.13 O ATOM 1648 CB SER E 236 62.337 63.315 18.775 1.00 12.07 C ATOM 1649 OG SER E 236 62.746 62.069 19.360 1.00 12.82 O ATOM 1650 N LYS E 237 65.569 62.990 17.981 1.00 11.47 N ATOM 1651 CA LYS E 237 66.961 63.141 18.411 1.00 12.66 C ATOM 1652 C LYS E 237 67.807 63.902 17.374 1.00 13.99 C ATOM 1653 O LYS E 237 68.769 64.577 17.753 1.00 15.39 O ATOM 1654 CB LYS E 237 67.618 61.779 18.694 1.00 11.77 C ATOM 1655 CG LYS E 237 69.004 61.932 19.270 1.00 12.41 C ATOM 1656 CD LYS E 237 69.605 60.582 19.629 1.00 12.33 C ATOM 1657 CE LYS E 237 70.985 60.759 20.310 1.00 15.14 C ATOM 1658 NZ LYS E 237 71.669 59.421 20.502 1.00 13.14 N ATOM 1659 N HIS E 238 67.454 63.787 16.087 1.00 13.71 N ATOM 1660 CA HIS E 238 68.188 64.404 14.966 1.00 13.94 C ATOM 1661 C HIS E 238 67.194 65.132 14.048 1.00 14.31 C ATOM 1662 O HIS E 238 66.915 64.670 12.969 1.00 15.18 O ATOM 1663 CB HIS E 238 68.980 63.314 14.166 1.00 13.26 C ATOM 1664 CG HIS E 238 69.976 62.544 14.993 1.00 14.72 C ATOM 1665 ND1 HIS E 238 71.252 63.027 15.253 1.00 14.08 N ATOM 1666 CD2 HIS E 238 69.908 61.316 15.586 1.00 11.66 C ATOM 1667 CE1 HIS E 238 71.920 62.132 15.961 1.00 14.02 C ATOM 1668 NE2 HIS E 238 71.122 61.096 16.197 1.00 13.84 N ATOM 1669 N PRO E 239 66.643 66.262 14.492 1.00 15.62 N ATOM 1670 CA PRO E 239 65.529 66.921 13.788 1.00 16.74 C ATOM 1671 C PRO E 239 65.925 67.384 12.385 1.00 16.98 C ATOM 1672 O PRO E 239 65.076 67.619 11.570 1.00 17.46 O ATOM 1673 CB PRO E 239 65.170 68.125 14.700 1.00 17.62 C ATOM 1674 CG PRO E 239 65.855 67.914 15.937 1.00 18.77 C ATOM 1675 CD PRO E 239 66.981 66.933 15.769 1.00 15.69 C ATOM 1676 N ASN E 240 67.215 67.418 12.094 1.00 16.93 N ATOM 1677 CA ASN E 240 67.655 67.798 10.734 1.00 17.64 C ATOM 1678 C AASN E 240 67.963 66.682 9.793 0.67 17.68 C ATOM 1679 C BASN E 240 68.322 66.664 9.942 0.33 17.28 C ATOM 1680 O AASN E 240 68.331 66.955 8.631 0.67 16.63 O ATOM 1681 O BASN E 240 69.147 66.887 9.024 0.33 16.48 O ATOM 1682 CB AASN E 240 68.981 68.585 10.926 0.67 17.27 C ATOM 1683 CB BASN E 240 68.412 69.120 10.669 0.33 17.77 C ATOM 1684 CG AASN E 240 68.695 70.051 11.083 0.67 17.51 C ATOM 1685 CG BASN E 240 69.626 69.081 11.486 0.33 15.66 C ATOM 1686 OD1AASN E 240 67.639 70.471 10.660 0.67 17.27 O ATOM 1687 OD1BASN E 240 69.901 68.062 12.077 0.33 14.93 O ATOM 1688 ND2AASN E 240 69.586 70.814 11.680 0.67 15.34 N ATOM 1689 ND2BASN E 240 70.348 70.191 11.571 0.33 15.61 N ATOM 1690 N TRP E 241 67.926 65.443 10.293 1.00 16.01 N ATOM 1691 CA TRP E 241 68.188 64.302 9.412 1.00 16.50 C ATOM 1692 C TRP E 241 67.070 64.270 8.395 1.00 15.09 C ATOM 1693 O TRP E 241 65.916 64.465 8.744 1.00 16.76 O ATOM 1694 CB TRP E 241 68.245 62.994 10.199 1.00 15.01 C ATOM 1695 CG TRP E 241 69.604 62.765 10.822 1.00 16.13 C ATOM 1696 CD1 TRP E 241 70.668 63.674 10.932 1.00 13.46 C ATOM 1697 CD2 TRP E 241 70.041 61.572 11.461 1.00 13.98 C ATOM 1698 NE1 TRP E 241 71.733 63.059 11.556 1.00 15.25 N ATOM 1699 CE2 TRP E 241 71.367 61.787 11.916 1.00 12.97 C ATOM 1700 CE3 TRP E 241 69.427 60.342 11.738 1.00 16.83 C ATOM 1701 CZ2 TRP E 241 72.086 60.826 12.583 1.00 12.39 C ATOM 1702 CZ3 TRP E 241 70.163 59.373 12.424 1.00 14.25 C ATOM 1703 CH2 TRP E 241 71.475 59.627 12.841 1.00 17.33 C ATOM 1704 N THR E 242 67.401 63.990 7.139 1.00 14.75 N ATOM 1705 CA THR E 242 66.407 63.843 6.092 1.00 14.05 C ATOM 1706 C THR E 242 65.743 62.483 6.204 1.00 13.50 C ATOM 1707 O THR E 242 66.251 61.585 6.860 1.00 14.84 O ATOM 1708 CB THR E 242 67.103 63.863 4.689 1.00 13.68 C ATOM 1709 OG1 THR E 242 68.059 62.794 4.653 1.00 16.20 O ATOM 1710 CG2 THR E 242 67.962 65.167 4.556 1.00 13.95 C ATOM 1711 N ASN E 243 64.636 62.320 5.509 1.00 12.64 N ATOM 1712 CA ASN E 243 64.030 60.971 5.394 1.00 13.56 C ATOM 1713 C ASN E 243 65.061 59.944 4.863 1.00 13.27 C ATOM 1714 O ASN E 243 65.147 58.789 5.366 1.00 13.68 O ATOM 1715 CB ASN E 243 62.761 61.015 4.561 1.00 11.15 C ATOM 1716 CG ASN E 243 62.970 61.559 3.136 1.00 13.35 C ATOM 1717 OD1 ASN E 243 63.956 62.264 2.820 1.00 13.62 O ATOM 1718 ND2 ASN E 243 62.033 61.228 2.267 1.00 14.04 N ATOM 1719 N THR E 244 65.852 60.364 3.876 1.00 12.82 N ATOM 1720 CA THR E 244 66.974 59.540 3.374 1.00 13.92 C ATOM 1721 C THR E 244 67.854 58.998 4.480 1.00 14.17 C ATOM 1722 O THR E 244 68.195 57.793 4.512 1.00 14.30 O ATOM 1723 CB THR E 244 67.876 60.379 2.437 1.00 15.40 C ATOM 1724 OG1 THR E 244 67.033 60.993 1.440 1.00 15.81 O ATOM 1725 CG2 THR E 244 68.821 59.442 1.668 1.00 18.00 C ATOM 1726 N GLN E 245 68.234 59.895 5.387 1.00 13.27 N ATOM 1727 CA GLN E 245 69.182 59.560 6.424 1.00 12.95 C ATOM 1728 C GLN E 245 68.498 58.684 7.492 1.00 13.30 C ATOM 1729 O GLN E 245 69.095 57.749 8.027 1.00 13.05 O ATOM 1730 CB GLN E 245 69.722 60.836 7.071 1.00 13.09 C ATOM 1731 CG AGLN E 245 70.380 60.586 8.356 0.50 10.84 C ATOM 1732 CG BGLN E 245 70.865 61.473 6.358 0.50 15.45 C ATOM 1733 CD AGLN E 245 71.669 59.754 8.268 0.50 13.48 C ATOM 1734 CD BGLN E 245 71.157 62.888 6.863 0.50 18.57 C ATOM 1735 OE1AGLN E 245 72.128 59.216 9.285 0.50 13.96 O ATOM 1736 OE1BGLN E 245 70.244 63.630 7.228 0.50 19.58 O ATOM 1737 NE2AGLN E 245 72.267 59.680 7.088 0.50 10.11 N ATOM 1738 NE2BGLN E 245 72.434 63.254 6.886 0.50 20.69 N ATOM 1739 N VAL E 246 67.256 59.026 7.803 1.00 13.42 N ATOM 1740 CA VAL E 246 66.497 58.221 8.778 1.00 14.42 C ATOM 1741 C VAL E 246 66.327 56.774 8.253 1.00 14.27 C ATOM 1742 O VAL E 246 66.529 55.821 9.000 1.00 15.07 O ATOM 1743 CB VAL E 246 65.105 58.829 9.075 1.00 13.45 C ATOM 1744 CG1 VAL E 246 64.261 57.835 9.925 1.00 14.43 C ATOM 1745 CG2 VAL E 246 65.269 60.176 9.820 1.00 11.76 C ATOM 1746 N ARG E 247 65.932 56.628 6.991 1.00 13.46 N ATOM 1747 CA ARG E 247 65.827 55.315 6.359 1.00 14.09 C ATOM 1748 C ARG E 247 67.146 54.566 6.373 1.00 14.66 C ATOM 1749 O ARG E 247 67.191 53.373 6.735 1.00 13.79 O ATOM 1750 CB ARG E 247 65.372 55.465 4.895 1.00 14.76 C ATOM 1751 CG ARG E 247 65.352 54.133 4.122 1.00 12.87 C ATOM 1752 CD ARG E 247 64.497 54.205 2.897 1.00 13.00 C ATOM 1753 NE ARG E 247 64.408 52.847 2.307 1.00 16.01 N ATOM 1754 CZ ARG E 247 63.620 52.502 1.283 1.00 17.07 C ATOM 1755 NH1 ARG E 247 62.827 53.414 0.690 1.00 15.34 N ATOM 1756 NH2 ARG E 247 63.640 51.240 0.865 1.00 17.17 N ATOM 1757 N SER E 248 68.234 55.213 5.952 1.00 14.47 N ATOM 1758 CA SER E 248 69.519 54.467 6.002 1.00 14.39 C ATOM 1759 C SER E 248 69.912 54.156 7.436 1.00 13.11 C ATOM 1760 O SER E 248 70.473 53.097 7.677 1.00 13.65 O ATOM 1761 CB SER E 248 70.719 55.198 5.354 1.00 14.41 C ATOM 1762 OG ASER E 248 70.407 55.898 4.166 0.50 13.20 O ATOM 1763 OG BSER E 248 70.939 56.427 5.917 0.50 14.25 O ATOM 1764 N SER E 249 69.593 55.033 8.400 1.00 12.79 N ATOM 1765 CA SER E 249 70.046 54.752 9.735 1.00 11.90 C ATOM 1766 C SER E 249 69.362 53.463 10.233 1.00 11.93 C ATOM 1767 O SER E 249 69.969 52.662 10.971 1.00 12.51 O ATOM 1768 CB SER E 249 69.776 55.909 10.731 1.00 11.90 C ATOM 1769 OG ASER E 249 70.228 57.151 10.233 0.33 12.04 O ATOM 1770 OG BSER E 249 68.413 56.016 11.014 0.67 12.77 O ATOM 1771 N LEU E 250 68.098 53.305 9.910 1.00 11.77 N ATOM 1772 CA LEU E 250 67.376 52.080 10.347 1.00 11.83 C ATOM 1773 C LEU E 250 67.847 50.826 9.601 1.00 12.78 C ATOM 1774 O LEU E 250 68.029 49.730 10.172 1.00 14.18 O ATOM 1775 CB LEU E 250 65.878 52.287 10.054 1.00 12.99 C ATOM 1776 CG LEU E 250 65.177 53.167 11.104 1.00 14.08 C ATOM 1777 CD1 LEU E 250 63.858 53.737 10.499 1.00 14.46 C ATOM 1778 CD2 LEU E 250 64.951 52.393 12.430 1.00 14.48 C ATOM 1779 N GLU E 251 68.028 50.971 8.294 1.00 13.03 N ATOM 1780 CA GLU E 251 68.586 49.853 7.502 1.00 12.72 C ATOM 1781 C GLU E 251 69.975 49.402 7.912 1.00 13.37 C ATOM 1782 O GLU E 251 70.290 48.194 7.903 1.00 13.71 O ATOM 1783 CB GLU E 251 68.555 50.205 5.989 1.00 12.93 C ATOM 1784 CG GLU E 251 67.131 50.270 5.455 1.00 12.73 C ATOM 1785 CD GLU E 251 67.062 50.940 4.073 1.00 15.41 C ATOM 1786 OE1 GLU E 251 68.068 51.506 3.634 1.00 18.62 O ATOM 1787 OE2 GLU E 251 65.980 50.924 3.445 1.00 16.25 O ATOM 1788 N ASN E 252 70.824 50.357 8.256 1.00 13.39 N ATOM 1789 CA ASN E 252 72.236 50.100 8.418 1.00 13.72 C ATOM 1790 C ASN E 252 72.576 49.596 9.820 1.00 14.32 C ATOM 1791 O ASN E 252 73.750 49.306 10.116 1.00 14.33 O ATOM 1792 CB ASN E 252 73.006 51.396 8.113 1.00 14.51 C ATOM 1793 CG ASN E 252 72.999 51.778 6.630 1.00 12.10 C ATOM 1794 OD1 ASN E 252 73.604 52.818 6.285 1.00 17.76 O ATOM 1795 ND2 ASN E 252 72.315 50.999 5.763 1.00 11.44 N ATOM 1796 N THR E 253 71.575 49.535 10.719 1.00 13.09 N ATOM 1797 CA THR E 253 71.855 49.175 12.107 1.00 13.41 C ATOM 1798 C THR E 253 71.003 48.009 12.582 1.00 12.44 C ATOM 1799 O THR E 253 70.933 47.779 13.780 1.00 14.44 O ATOM 1800 CB THR E 253 71.620 50.372 13.067 1.00 13.17 C ATOM 1801 OG1 THR E 253 70.267 50.848 12.893 1.00 12.96 O ATOM 1802 CG2 THR E 253 72.477 51.611 12.632 1.00 15.17 C ATOM 1803 N THR E 254 70.324 47.329 11.674 1.00 14.17 N ATOM 1804 CA THR E 254 69.503 46.184 12.071 1.00 13.41 C ATOM 1805 C THR E 254 70.388 45.104 12.726 1.00 13.90 C ATOM 1806 O THR E 254 71.589 45.008 12.482 1.00 13.97 O ATOM 1807 CB THR E 254 68.859 45.509 10.863 1.00 13.76 C ATOM 1808 OG1 THR E 254 69.878 45.302 9.856 1.00 13.23 O ATOM 1809 CG2 THR E 254 67.713 46.371 10.177 1.00 10.18 C ATOM 1810 N THR E 255 69.754 44.248 13.519 1.00 14.37 N ATOM 1811 CA THR E 255 70.370 42.989 13.908 1.00 14.04 C ATOM 1812 C THR E 255 70.059 42.002 12.796 1.00 15.14 C ATOM 1813 O THR E 255 68.893 41.658 12.572 1.00 14.39 O ATOM 1814 CB THR E 255 69.780 42.564 15.245 1.00 13.46 C ATOM 1815 OG1 THR E 255 70.195 43.527 16.237 1.00 14.85 O ATOM 1816 CG2 THR E 255 70.397 41.177 15.740 1.00 15.14 C ATOM 1817 N LYS E 256 71.090 41.527 12.090 1.00 17.02 N ATOM 1818 CA LYS E 256 70.857 40.595 10.960 1.00 18.33 C ATOM 1819 C LYS E 256 70.307 39.287 11.525 1.00 19.81 C ATOM 1820 O LYS E 256 70.710 38.839 12.641 1.00 19.51 O ATOM 1821 CB LYS E 256 72.144 40.376 10.103 1.00 20.63 C ATOM 1822 CG LYS E 256 72.548 41.723 9.285 1.00 18.04 C ATOM 1823 CD LYS E 256 71.976 41.782 7.812 1.00 20.12 C ATOM 1824 CE LYS E 256 72.272 43.211 7.228 1.00 20.39 C ATOM 1825 NZ LYS E 256 72.586 43.421 5.718 1.00 16.75 N ATOM 1826 N LEU E 257 69.329 38.755 10.806 1.00 19.19 N ATOM 1827 CA LEU E 257 68.633 37.555 11.217 1.00 21.93 C ATOM 1828 C LEU E 257 68.967 36.542 10.109 1.00 23.94 C ATOM 1829 O LEU E 257 70.150 36.375 9.795 1.00 27.03 O ATOM 1830 CB LEU E 257 67.141 37.830 11.416 1.00 20.10 C ATOM 1831 CG LEU E 257 66.855 38.829 12.563 1.00 18.99 C ATOM 1832 CD1 LEU E 257 65.351 39.176 12.700 1.00 15.26 C ATOM 1833 CD2 LEU E 257 67.478 38.416 13.931 1.00 20.69 C ATOM 1834 N GLY E 258 68.004 35.920 9.472 1.00 24.31 N ATOM 1835 CA GLY E 258 68.338 35.007 8.383 1.00 25.70 C ATOM 1836 C GLY E 258 68.548 35.591 6.992 1.00 26.17 C ATOM 1837 O GLY E 258 68.853 36.781 6.821 1.00 25.77 O ATOM 1838 N ASP E 259 68.353 34.735 5.980 1.00 25.54 N ATOM 1839 CA ASP E 259 68.476 35.146 4.596 1.00 25.70 C ATOM 1840 C ASP E 259 67.563 36.335 4.316 1.00 24.49 C ATOM 1841 O ASP E 259 66.414 36.358 4.776 1.00 22.99 O ATOM 1842 CB ASP E 259 68.092 34.002 3.657 1.00 26.71 C ATOM 1843 CG ASP E 259 68.380 34.343 2.230 1.00 32.67 C ATOM 1844 OD1 ASP E 259 69.534 34.048 1.795 1.00 41.76 O ATOM 1845 OD2 ASP E 259 67.591 34.951 1.487 1.00 32.20 O ATOM 1846 N SER E 260 68.062 37.277 3.530 1.00 23.21 N ATOM 1847 CA SER E 260 67.391 38.547 3.296 1.00 23.77 C ATOM 1848 C SER E 260 66.057 38.430 2.539 1.00 23.15 C ATOM 1849 O SER E 260 65.170 39.278 2.655 1.00 20.14 O ATOM 1850 CB SER E 260 68.354 39.521 2.607 1.00 24.22 C ATOM 1851 OG SER E 260 68.553 39.138 1.268 1.00 27.66 O ATOM 1852 N PHE E 261 65.887 37.320 1.809 1.00 22.44 N ATOM 1853 CA PHE E 261 64.629 37.040 1.166 1.00 21.75 C ATOM 1854 C PHE E 261 63.511 36.902 2.193 1.00 20.79 C ATOM 1855 O PHE E 261 62.379 37.288 1.911 1.00 20.76 O ATOM 1856 CB PHE E 261 64.732 35.726 0.353 1.00 21.68 C ATOM 1857 CG PHE E 261 63.540 35.445 -0.506 1.00 20.75 C ATOM 1858 CD1 PHE E 261 63.459 35.954 -1.814 1.00 19.40 C ATOM 1859 CD2 PHE E 261 62.520 34.600 -0.033 1.00 23.10 C ATOM 1860 CE1 PHE E 261 62.358 35.653 -2.621 1.00 22.54 C ATOM 1861 CE2 PHE E 261 61.400 34.290 -0.848 1.00 25.76 C ATOM 1862 CZ PHE E 261 61.324 34.820 -2.129 1.00 23.37 C ATOM 1863 N TYR E 262 63.839 36.332 3.359 1.00 19.96 N ATOM 1864 CA TYR E 262 62.856 36.040 4.411 1.00 19.88 C ATOM 1865 C TYR E 262 62.847 37.101 5.530 1.00 18.93 C ATOM 1866 O TYR E 262 61.846 37.273 6.202 1.00 18.79 O ATOM 1867 CB TYR E 262 63.157 34.678 5.046 1.00 20.78 C ATOM 1868 CG TYR E 262 62.931 33.558 4.043 1.00 24.22 C ATOM 1869 CD1 TYR E 262 61.623 33.082 3.750 1.00 26.81 C ATOM 1870 CD2 TYR E 262 64.015 32.997 3.361 1.00 27.85 C ATOM 1871 CE1 TYR E 262 61.420 32.067 2.805 1.00 27.66 C ATOM 1872 CE2 TYR E 262 63.826 31.963 2.406 1.00 29.71 C ATOM 1873 CZ TYR E 262 62.552 31.513 2.145 1.00 29.22 C ATOM 1874 OH TYR E 262 62.411 30.528 1.209 1.00 30.29 O ATOM 1875 N TYR E 263 63.976 37.778 5.713 1.00 17.95 N ATOM 1876 CA TYR E 263 64.169 38.676 6.855 1.00 18.26 C ATOM 1877 C TYR E 263 64.604 40.087 6.475 1.00 17.96 C ATOM 1878 O TYR E 263 64.885 40.890 7.368 1.00 17.40 O ATOM 1879 CB TYR E 263 65.255 38.103 7.779 1.00 17.46 C ATOM 1880 CG TYR E 263 64.757 36.936 8.600 1.00 17.53 C ATOM 1881 CD1 TYR E 263 64.124 37.135 9.844 1.00 17.00 C ATOM 1882 CD2 TYR E 263 64.857 35.626 8.104 1.00 18.17 C ATOM 1883 CE1 TYR E 263 63.669 36.028 10.614 1.00 14.96 C ATOM 1884 CE2 TYR E 263 64.413 34.522 8.846 1.00 17.69 C ATOM 1885 CZ TYR E 263 63.810 34.730 10.089 1.00 19.14 C ATOM 1886 OH TYR E 263 63.307 33.673 10.813 1.00 17.96 O ATOM 1887 N GLY E 264 64.775 40.370 5.178 1.00 17.55 N ATOM 1888 CA GLY E 264 65.381 41.622 4.771 1.00 17.36 C ATOM 1889 C GLY E 264 66.688 41.840 5.514 1.00 18.27 C ATOM 1890 O GLY E 264 67.466 40.876 5.704 1.00 18.13 O ATOM 1891 N LYS E 265 66.948 43.090 5.960 1.00 16.83 N ATOM 1892 CA LYS E 265 68.198 43.393 6.675 1.00 15.91 C ATOM 1893 C LYS E 265 68.184 42.925 8.138 1.00 15.01 C ATOM 1894 O LYS E 265 69.185 43.049 8.835 1.00 14.52 O ATOM 1895 CB LYS E 265 68.517 44.913 6.583 1.00 15.33 C ATOM 1896 CG LYS E 265 68.677 45.294 5.058 1.00 18.62 C ATOM 1897 CD LYS E 265 68.732 46.782 4.810 1.00 20.13 C ATOM 1898 CE LYS E 265 68.928 47.008 3.276 1.00 23.55 C ATOM 1899 NZ LYS E 265 67.628 46.751 2.494 1.00 25.89 N ATOM 1900 N GLY E 266 67.054 42.411 8.593 1.00 14.38 N ATOM 1901 CA GLY E 266 66.932 41.969 9.973 1.00 13.00 C ATOM 1902 C GLY E 266 66.079 42.894 10.854 1.00 13.10 C ATOM 1903 O GLY E 266 65.329 43.738 10.351 1.00 12.91 O ATOM 1904 N LEU E 267 66.230 42.744 12.167 1.00 12.87 N ATOM 1905 CA LEU E 267 65.367 43.441 13.139 1.00 11.54 C ATOM 1906 C LEU E 267 65.875 44.880 13.347 1.00 10.89 C ATOM 1907 O LEU E 267 67.044 45.076 13.599 1.00 11.52 O ATOM 1908 CB LEU E 267 65.471 42.728 14.497 1.00 11.27 C ATOM 1909 CG LEU E 267 64.785 43.400 15.726 1.00 11.28 C ATOM 1910 CD1 LEU E 267 63.253 43.417 15.557 1.00 10.40 C ATOM 1911 CD2 LEU E 267 65.160 42.542 16.962 1.00 10.81 C ATOM 1912 N ILE E 268 64.992 45.876 13.292 1.00 10.79 N ATOM 1913 CA ILE E 268 65.455 47.220 13.612 1.00 10.44 C ATOM 1914 C ILE E 268 65.935 47.371 15.039 1.00 11.43 C ATOM 1915 O ILE E 268 65.453 46.720 15.970 1.00 11.94 O ATOM 1916 CB ILE E 268 64.378 48.280 13.294 1.00 10.60 C ATOM 1917 CG1 ILE E 268 63.082 48.026 14.084 1.00 10.33 C ATOM 1918 CG2 ILE E 268 64.112 48.365 11.736 1.00 10.04 C ATOM 1919 CD1 ILE E 268 62.289 49.434 14.458 1.00 10.65 C ATOM 1920 N ASN E 269 66.900 48.267 15.199 1.00 10.70 N ATOM 1921 CA ASN E 269 67.474 48.558 16.480 1.00 11.48 C ATOM 1922 C ASN E 269 67.548 50.091 16.536 1.00 11.47 C ATOM 1923 O ASN E 269 68.433 50.682 15.911 1.00 10.01 O ATOM 1924 CB ASN E 269 68.872 47.913 16.588 1.00 11.01 C ATOM 1925 CG ASN E 269 69.617 48.363 17.852 1.00 14.21 C ATOM 1926 OD1 ASN E 269 69.198 49.308 18.578 1.00 11.20 O ATOM 1927 ND2 ASN E 269 70.713 47.693 18.134 1.00 13.70 N ATOM 1928 N VAL E 270 66.553 50.731 17.170 1.00 10.87 N ATOM 1929 CA VAL E 270 66.490 52.203 17.118 1.00 11.85 C ATOM 1930 C VAL E 270 67.604 52.886 17.966 1.00 11.24 C ATOM 1931 O VAL E 270 68.072 53.968 17.618 1.00 11.63 O ATOM 1932 CB VAL E 270 65.075 52.728 17.456 1.00 12.21 C ATOM 1933 CG1 VAL E 270 64.749 52.502 18.920 1.00 12.19 C ATOM 1934 CG2 VAL E 270 64.933 54.218 17.051 1.00 14.40 C ATOM 1935 N GLN E 271 68.065 52.239 19.030 1.00 11.31 N ATOM 1936 CA GLN E 271 69.255 52.727 19.741 1.00 13.21 C ATOM 1937 C GLN E 271 70.461 52.909 18.789 1.00 13.94 C ATOM 1938 O GLN E 271 71.104 53.975 18.790 1.00 14.57 O ATOM 1939 CB GLN E 271 69.588 51.820 20.949 1.00 12.88 C ATOM 1940 CG GLN E 271 70.890 52.259 21.689 1.00 15.55 C ATOM 1941 CD GLN E 271 71.273 51.261 22.793 1.00 20.29 C ATOM 1942 OE1 GLN E 271 71.104 50.049 22.623 1.00 23.22 O ATOM 1943 NE2 GLN E 271 71.744 51.765 23.919 1.00 17.71 N ATOM 1944 N ALA E 272 70.818 51.863 18.045 1.00 13.29 N ATOM 1945 CA ALA E 272 71.946 51.899 17.112 1.00 14.47 C ATOM 1946 C ALA E 272 71.659 52.902 15.973 1.00 13.22 C ATOM 1947 O ALA E 272 72.541 53.663 15.630 1.00 14.07 O ATOM 1948 CB ALA E 272 72.214 50.492 16.511 1.00 12.55 C ATOM 1949 N ALA E 273 70.417 52.920 15.454 1.00 12.28 N ATOM 1950 CA ALA E 273 69.996 53.829 14.376 1.00 12.20 C ATOM 1951 C ALA E 273 70.209 55.322 14.746 1.00 13.16 C ATOM 1952 O ALA E 273 70.608 56.143 13.899 1.00 12.80 O ATOM 1953 CB ALA E 273 68.507 53.582 14.028 1.00 11.73 C ATOM 1954 N ALA E 274 69.942 55.639 16.016 1.00 13.21 N ATOM 1955 CA ALA E 274 69.973 57.038 16.452 1.00 13.91 C ATOM 1956 C ALA E 274 71.356 57.483 16.912 1.00 14.66 C ATOM 1957 O ALA E 274 71.504 58.614 17.404 1.00 14.40 O ATOM 1958 CB ALA E 274 68.884 57.281 17.508 1.00 12.56 C ATOM 1959 N GLN E 275 72.380 56.604 16.791 1.00 14.91 N ATOM 1960 CA GLN E 275 73.765 57.037 17.029 1.00 16.21 C ATOM 1961 C GLN E 275 74.279 57.748 15.764 1.00 16.07 C ATOM 1962 O GLN E 275 73.673 57.614 14.697 1.00 17.34 O ATOM 1963 CB GLN E 275 74.660 55.817 17.365 1.00 16.97 C ATOM 1964 CG GLN E 275 74.362 55.231 18.808 1.00 21.11 C ATOM 1965 CD AGLN E 275 74.585 56.273 19.935 0.67 24.51 C ATOM 1966 CD BGLN E 275 75.094 53.939 19.107 0.33 22.05 C ATOM 1967 OE1AGLN E 275 73.638 56.853 20.476 0.67 30.50 O ATOM 1968 OE1BGLN E 275 74.715 53.223 20.024 0.33 25.21 O ATOM 1969 NE2AGLN E 275 75.837 56.533 20.249 0.67 29.43 N ATOM 1970 NE2BGLN E 275 76.150 53.647 18.356 0.33 22.34 N ATOM 1971 N AHIS E 276 75.389 58.464 15.838 0.50 16.19 N ATOM 1972 N BHIS E 276 75.382 58.489 15.935 0.50 16.30 N ATOM 1973 CA AHIS E 276 75.902 59.065 14.604 0.50 16.31 C ATOM 1974 CA BHIS E 276 76.097 59.154 14.838 0.50 16.87 C ATOM 1975 C AHIS E 276 76.587 58.045 13.725 0.50 17.70 C ATOM 1976 C BHIS E 276 76.540 58.091 13.832 0.50 17.89 C ATOM 1977 O AHIS E 276 76.529 58.119 12.511 0.50 18.36 O ATOM 1978 O BHIS E 276 76.219 58.169 12.653 0.50 18.38 O ATOM 1979 CB AHIS E 276 76.858 60.189 14.922 0.50 16.50 C ATOM 1980 CB BHIS E 276 77.345 59.916 15.374 0.50 16.61 C ATOM 1981 CG AHIS E 276 76.164 61.476 15.164 0.50 13.90 C ATOM 1982 CG BHIS E 276 77.041 60.962 16.404 0.50 15.50 C ATOM 1983 ND1AHIS E 276 76.185 62.110 16.387 0.50 12.92 N ATOM 1984 ND1BHIS E 276 76.184 62.012 16.166 0.50 16.80 N ATOM 1985 CD2AHIS E 276 75.431 62.253 14.336 0.50 12.90 C ATOM 1986 CD2BHIS E 276 77.474 61.112 17.679 0.50 16.32 C ATOM 1987 CE1AHIS E 276 75.484 63.225 16.300 0.50 12.53 C ATOM 1988 CE1BHIS E 276 76.110 62.774 17.240 0.50 16.60 C ATOM 1989 NE2AHIS E 276 75.015 63.333 15.067 0.50 11.79 N ATOM 1990 NE2BHIS E 276 76.863 62.236 18.184 0.50 19.00 N ATOM 1991 N HIS E 277 77.222 57.072 14.339 1.00 18.14 N ATOM 1992 CA HIS E 277 77.891 56.032 13.518 1.00 20.89 C ATOM 1993 C HIS E 277 77.116 54.743 13.545 1.00 18.54 C ATOM 1994 O HIS E 277 76.672 54.289 14.604 1.00 19.34 O ATOM 1995 CB HIS E 277 79.320 55.863 14.006 1.00 22.71 C ATOM 1996 CG HIS E 277 80.132 57.119 13.793 1.00 31.78 C ATOM 1997 ND1 HIS E 277 80.885 57.709 14.790 1.00 36.78 N ATOM 1998 CD2 HIS E 277 80.189 57.961 12.727 1.00 36.68 C ATOM 1999 CE1 HIS E 277 81.419 58.829 14.327 1.00 39.27 C ATOM 2000 NE2 HIS E 277 80.996 59.016 13.085 1.00 39.80 N ATOM 2001 N HIS E 278 76.904 54.190 12.377 1.00 16.74 N ATOM 2002 CA HIS E 278 75.984 53.057 12.241 1.00 17.18 C ATOM 2003 C HIS E 278 76.693 51.769 11.869 1.00 15.88 C ATOM 2004 O HIS E 278 77.537 51.765 10.972 1.00 17.19 O ATOM 2005 CB HIS E 278 74.967 53.400 11.169 1.00 17.05 C ATOM 2006 CG HIS E 278 74.162 54.630 11.506 1.00 19.19 C ATOM 2007 ND1 HIS E 278 73.872 55.612 10.594 1.00 18.83 N ATOM 2008 CD2 HIS E 278 73.585 55.015 12.674 1.00 19.30 C ATOM 2009 CE1 HIS E 278 73.154 56.553 11.177 1.00 21.54 C ATOM 2010 NE2 HIS E 278 72.965 56.213 12.442 1.00 16.20 N ATOM 2011 N HIS E 279 76.326 50.667 12.511 1.00 15.77 N ATOM 2012 CA HIS E 279 76.768 49.336 12.051 1.00 15.36 C ATOM 2013 C HIS E 279 75.763 48.348 12.589 1.00 14.82 C ATOM 2014 O HIS E 279 74.996 48.700 13.496 1.00 12.63 O ATOM 2015 CB HIS E 279 78.182 48.971 12.526 1.00 16.09 C ATOM 2016 CG HIS E 279 78.383 49.095 14.012 1.00 22.00 C ATOM 2017 ND1 HIS E 279 78.798 50.269 14.613 1.00 28.14 N ATOM 2018 CD2 HIS E 279 78.177 48.213 15.020 1.00 28.50 C ATOM 2019 CE1 HIS E 279 78.860 50.094 15.925 1.00 28.46 C ATOM 2020 NE2 HIS E 279 78.492 48.852 16.198 1.00 27.22 N ATOM 2021 N HIS E 280 75.758 47.150 12.011 1.00 14.56 N ATOM 2022 CA HIS E 280 74.832 46.123 12.427 1.00 15.69 C ATOM 2023 C HIS E 280 75.270 45.524 13.754 1.00 17.46 C ATOM 2024 O HIS E 280 76.460 45.436 14.026 1.00 16.45 O ATOM 2025 CB HIS E 280 74.723 45.034 11.371 1.00 14.96 C ATOM 2026 CG HIS E 280 74.144 45.519 10.070 1.00 15.05 C ATOM 2027 ND1 HIS E 280 72.799 45.790 9.923 1.00 15.20 N ATOM 2028 CD2 HIS E 280 74.719 45.799 8.875 1.00 16.16 C ATOM 2029 CE1 HIS E 280 72.564 46.192 8.683 1.00 15.01 C ATOM 2030 NE2 HIS E 280 73.711 46.208 8.025 1.00 12.78 N ATOM 2031 N HIS E 281 74.304 45.099 14.573 1.00 20.33 N ATOM 2032 CA HIS E 281 74.644 44.250 15.717 1.00 22.27 C ATOM 2033 C HIS E 281 74.155 42.851 15.525 1.00 22.91 C ATOM 2034 O HIS E 281 74.310 42.106 16.499 1.00 26.84 O ATOM 2035 CB HIS E 281 74.124 44.842 17.030 1.00 23.24 C ATOM 2036 CG HIS E 281 74.626 46.216 17.281 1.00 25.37 C ATOM 2037 ND1 HIS E 281 75.420 46.526 18.356 1.00 30.76 N ATOM 2038 CD2 HIS E 281 74.491 47.360 16.570 1.00 29.03 C ATOM 2039 CE1 HIS E 281 75.726 47.809 18.321 1.00 32.73 C ATOM 2040 NE2 HIS E 281 75.198 48.331 17.231 1.00 29.84 N ATOM 2041 OXT HIS E 281 73.676 42.416 14.476 1.00 22.31 O TER 2042 HIS E 281 ATOM 2043 C MET I 20 44.821 22.803 6.494 1.00 41.93 C ATOM 2044 O MET I 20 45.838 23.494 6.318 1.00 43.59 O ATOM 2045 N LYS I 21 43.615 23.183 6.091 1.00 40.78 N ATOM 2046 CA LYS I 21 43.401 23.877 4.813 1.00 38.76 C ATOM 2047 C LYS I 21 43.261 25.354 5.086 1.00 37.14 C ATOM 2048 O LYS I 21 42.301 25.737 5.774 1.00 37.13 O ATOM 2049 CB LYS I 21 42.100 23.393 4.166 1.00 39.46 C ATOM 2050 CG LYS I 21 41.740 24.125 2.871 1.00 38.14 C ATOM 2051 CD LYS I 21 41.426 23.140 1.787 1.00 37.08 C ATOM 2052 CE LYS I 21 41.571 23.778 0.426 1.00 38.49 C ATOM 2053 NZ LYS I 21 40.833 23.033 -0.596 1.00 40.96 N ATOM 2054 N THR I 22 44.172 26.174 4.546 1.00 34.39 N ATOM 2055 CA THR I 22 44.115 27.644 4.736 1.00 32.38 C ATOM 2056 C THR I 22 44.154 28.523 3.455 1.00 29.71 C ATOM 2057 O THR I 22 44.213 29.745 3.546 1.00 27.64 O ATOM 2058 CB THR I 22 45.289 28.076 5.582 1.00 33.23 C ATOM 2059 OG1 THR I 22 46.466 27.617 4.923 1.00 33.88 O ATOM 2060 CG2 THR I 22 45.303 27.340 6.938 1.00 36.49 C ATOM 2061 N GLU I 23 44.151 27.902 2.272 1.00 27.26 N ATOM 2062 CA GLU I 23 44.073 28.612 1.002 1.00 25.50 C ATOM 2063 C GLU I 23 43.138 27.830 0.086 1.00 23.54 C ATOM 2064 O GLU I 23 43.129 26.601 0.148 1.00 21.99 O ATOM 2065 CB GLU I 23 45.430 28.665 0.313 1.00 28.03 C ATOM 2066 CG GLU I 23 46.524 29.357 1.112 1.00 35.44 C ATOM 2067 CD GLU I 23 47.722 29.734 0.256 1.00 45.93 C ATOM 2068 OE1 GLU I 23 48.521 30.570 0.748 1.00 49.60 O ATOM 2069 OE2 GLU I 23 47.864 29.198 -0.884 1.00 47.97 O ATOM 2070 N TRP I 24 42.392 28.531 -0.770 1.00 20.30 N ATOM 2071 CA TRP I 24 41.423 27.857 -1.622 1.00 20.71 C ATOM 2072 C TRP I 24 41.615 28.328 -3.060 1.00 20.39 C ATOM 2073 O TRP I 24 40.761 29.016 -3.604 1.00 19.63 O ATOM 2074 CB TRP I 24 39.995 28.151 -1.160 1.00 20.45 C ATOM 2075 CG TRP I 24 39.620 27.502 0.161 1.00 20.62 C ATOM 2076 CD1 TRP I 24 38.934 26.338 0.347 1.00 20.11 C ATOM 2077 CD2 TRP I 24 39.895 28.014 1.468 1.00 19.97 C ATOM 2078 NE1 TRP I 24 38.756 26.098 1.694 1.00 20.70 N ATOM 2079 CE2 TRP I 24 39.364 27.087 2.410 1.00 20.99 C ATOM 2080 CE3 TRP I 24 40.537 29.161 1.944 1.00 17.30 C ATOM 2081 CZ2 TRP I 24 39.446 27.279 3.819 1.00 20.18 C ATOM 2082 CZ3 TRP I 24 40.667 29.340 3.381 1.00 19.29 C ATOM 2083 CH2 TRP I 24 40.112 28.409 4.276 1.00 20.98 C ATOM 2084 N PRO I 25 42.725 27.981 -3.707 1.00 21.33 N ATOM 2085 CA PRO I 25 42.925 28.458 -5.100 1.00 21.13 C ATOM 2086 C PRO I 25 41.864 27.923 -6.092 1.00 21.61 C ATOM 2087 O PRO I 25 41.593 28.596 -7.085 1.00 22.75 O ATOM 2088 CB PRO I 25 44.309 27.923 -5.480 1.00 21.43 C ATOM 2089 CG PRO I 25 44.545 26.767 -4.560 1.00 22.21 C ATOM 2090 CD PRO I 25 43.859 27.138 -3.220 1.00 21.49 C ATOM 2091 N GLU I 26 41.251 26.788 -5.790 1.00 21.12 N ATOM 2092 CA GLU I 26 40.228 26.206 -6.645 1.00 22.67 C ATOM 2093 C GLU I 26 38.937 27.067 -6.664 1.00 21.34 C ATOM 2094 O GLU I 26 38.066 26.867 -7.524 1.00 20.76 O ATOM 2095 CB GLU I 26 39.963 24.750 -6.218 1.00 22.63 C ATOM 2096 CG GLU I 26 39.220 24.578 -4.903 1.00 25.58 C ATOM 2097 CD GLU I 26 40.052 24.738 -3.605 1.00 30.25 C ATOM 2098 OE1 GLU I 26 41.235 25.146 -3.616 1.00 30.99 O ATOM 2099 OE2 GLU I 26 39.495 24.414 -2.546 1.00 33.64 O ATOM 2100 N LEU I 27 38.830 28.049 -5.757 1.00 18.88 N ATOM 2101 CA LEU I 27 37.639 28.904 -5.740 1.00 18.48 C ATOM 2102 C LEU I 27 37.745 30.138 -6.675 1.00 17.99 C ATOM 2103 O LEU I 27 36.764 30.832 -6.893 1.00 18.42 O ATOM 2104 CB LEU I 27 37.273 29.324 -4.307 1.00 16.49 C ATOM 2105 CG LEU I 27 36.819 28.190 -3.379 1.00 18.64 C ATOM 2106 CD1 LEU I 27 36.614 28.752 -1.914 1.00 16.53 C ATOM 2107 CD2 LEU I 27 35.539 27.483 -3.902 1.00 17.91 C ATOM 2108 N VAL I 28 38.939 30.430 -7.197 1.00 17.49 N ATOM 2109 CA VAL I 28 39.093 31.575 -8.066 1.00 18.02 C ATOM 2110 C VAL I 28 38.161 31.381 -9.286 1.00 18.49 C ATOM 2111 O VAL I 28 38.097 30.291 -9.832 1.00 18.73 O ATOM 2112 CB VAL I 28 40.566 31.804 -8.529 1.00 18.20 C ATOM 2113 CG1 VAL I 28 40.600 32.995 -9.514 1.00 19.33 C ATOM 2114 CG2 VAL I 28 41.473 32.076 -7.302 1.00 18.97 C ATOM 2115 N GLY I 29 37.407 32.408 -9.655 1.00 18.33 N ATOM 2116 CA GLY I 29 36.512 32.293 -10.806 1.00 18.93 C ATOM 2117 C GLY I 29 35.154 31.696 -10.467 1.00 20.13 C ATOM 2118 O GLY I 29 34.255 31.718 -11.317 1.00 20.70 O ATOM 2119 N LYS I 30 34.977 31.179 -9.238 1.00 19.41 N ATOM 2120 CA LYS I 30 33.636 30.740 -8.780 1.00 18.55 C ATOM 2121 C LYS I 30 32.838 31.918 -8.216 1.00 17.89 C ATOM 2122 O LYS I 30 33.393 32.998 -7.937 1.00 17.69 O ATOM 2123 CB LYS I 30 33.724 29.635 -7.702 1.00 18.89 C ATOM 2124 CG LYS I 30 34.419 28.341 -8.128 1.00 23.62 C ATOM 2125 CD LYS I 30 34.084 27.909 -9.505 1.00 30.24 C ATOM 2126 CE LYS I 30 34.817 26.576 -9.827 1.00 37.41 C ATOM 2127 NZ LYS I 30 34.575 25.599 -8.726 1.00 38.82 N ATOM 2128 N SER I 31 31.541 31.706 -8.061 1.00 16.00 N ATOM 2129 CA SER I 31 30.651 32.681 -7.423 1.00 15.03 C ATOM 2130 C SER I 31 31.055 32.888 -5.961 1.00 14.29 C ATOM 2131 O SER I 31 31.483 31.945 -5.270 1.00 12.87 O ATOM 2132 CB SER I 31 29.192 32.210 -7.483 1.00 14.02 C ATOM 2133 OG SER I 31 28.952 31.093 -6.636 1.00 14.57 O ATOM 2134 N VAL I 32 30.837 34.101 -5.469 1.00 14.11 N ATOM 2135 CA VAL I 32 31.036 34.347 -4.028 1.00 13.61 C ATOM 2136 C VAL I 32 30.218 33.346 -3.173 1.00 13.43 C ATOM 2137 O VAL I 32 30.629 32.948 -2.073 1.00 13.15 O ATOM 2138 CB VAL I 32 30.747 35.863 -3.687 1.00 14.29 C ATOM 2139 CG1 VAL I 32 29.235 36.200 -3.785 1.00 14.16 C ATOM 2140 CG2 VAL I 32 31.331 36.217 -2.287 1.00 13.87 C ATOM 2141 N GLU I 33 29.020 33.002 -3.638 1.00 12.96 N ATOM 2142 CA GLU I 33 28.132 32.094 -2.882 1.00 13.72 C ATOM 2143 C GLU I 33 28.733 30.708 -2.727 1.00 14.26 C ATOM 2144 O GLU I 33 28.731 30.123 -1.622 1.00 14.40 O ATOM 2145 CB GLU I 33 26.775 31.941 -3.596 1.00 13.28 C ATOM 2146 CG GLU I 33 25.922 33.200 -3.531 1.00 13.66 C ATOM 2147 CD GLU I 33 26.151 34.240 -4.660 1.00 16.93 C ATOM 2148 OE1 GLU I 33 26.988 34.039 -5.569 1.00 16.02 O ATOM 2149 OE2 GLU I 33 25.416 35.279 -4.674 1.00 16.06 O ATOM 2150 N GLU I 34 29.273 30.196 -3.813 1.00 14.52 N ATOM 2151 CA GLU I 34 29.867 28.869 -3.704 1.00 15.88 C ATOM 2152 C GLU I 34 31.124 28.922 -2.850 1.00 15.78 C ATOM 2153 O GLU I 34 31.336 28.037 -2.011 1.00 15.33 O ATOM 2154 CB GLU I 34 30.191 28.300 -5.085 1.00 16.73 C ATOM 2155 CG GLU I 34 30.763 26.872 -4.991 1.00 19.08 C ATOM 2156 CD GLU I 34 31.096 26.286 -6.341 1.00 27.34 C ATOM 2157 OE1 GLU I 34 30.555 26.739 -7.380 1.00 23.46 O ATOM 2158 OE2 GLU I 34 31.883 25.324 -6.345 1.00 30.26 O ATOM 2159 N ALA I 35 31.949 29.967 -3.029 1.00 14.83 N ATOM 2160 CA ALA I 35 33.100 30.140 -2.131 1.00 14.93 C ATOM 2161 C ALA I 35 32.760 30.123 -0.629 1.00 14.51 C ATOM 2162 O ALA I 35 33.453 29.453 0.151 1.00 15.07 O ATOM 2163 CB ALA I 35 33.881 31.420 -2.489 1.00 15.31 C ATOM 2164 N LYS I 36 31.742 30.875 -0.221 1.00 14.69 N ATOM 2165 CA LYS I 36 31.338 30.936 1.195 1.00 15.60 C ATOM 2166 C LYS I 36 30.942 29.515 1.648 1.00 15.67 C ATOM 2167 O LYS I 36 31.305 29.059 2.710 1.00 13.46 O ATOM 2168 CB LYS I 36 30.128 31.849 1.402 1.00 16.61 C ATOM 2169 CG LYS I 36 30.491 33.330 1.327 1.00 21.64 C ATOM 2170 CD LYS I 36 29.215 34.194 1.266 1.00 26.81 C ATOM 2171 CE LYS I 36 29.436 35.535 1.922 1.00 34.65 C ATOM 2172 NZ LYS I 36 28.250 36.487 1.752 1.00 37.64 N ATOM 2173 N LYS I 37 30.176 28.834 0.808 1.00 14.76 N ATOM 2174 CA LYS I 37 29.701 27.513 1.189 1.00 14.84 C ATOM 2175 C LYS I 37 30.901 26.557 1.386 1.00 14.44 C ATOM 2176 O LYS I 37 30.992 25.848 2.391 1.00 15.29 O ATOM 2177 CB LYS I 37 28.828 26.980 0.094 1.00 15.14 C ATOM 2178 CG LYS I 37 28.260 25.601 0.513 1.00 18.05 C ATOM 2179 CD LYS I 37 27.376 25.071 -0.611 1.00 22.03 C ATOM 2180 CE LYS I 37 27.055 23.618 -0.342 1.00 29.73 C ATOM 2181 NZ LYS I 37 25.794 23.201 -1.051 1.00 34.67 N ATOM 2182 N VAL I 38 31.802 26.535 0.415 1.00 15.56 N ATOM 2183 CA VAL I 38 32.982 25.675 0.495 1.00 15.09 C ATOM 2184 C VAL I 38 33.877 26.013 1.703 1.00 16.25 C ATOM 2185 O VAL I 38 34.233 25.129 2.492 1.00 16.77 O ATOM 2186 CB VAL I 38 33.767 25.707 -0.843 1.00 16.58 C ATOM 2187 CG1 VAL I 38 35.200 25.047 -0.655 1.00 16.92 C ATOM 2188 CG2 VAL I 38 32.942 24.909 -1.950 1.00 14.56 C ATOM 2189 N ILE I 39 34.197 27.286 1.890 1.00 16.00 N ATOM 2190 CA ILE I 39 35.022 27.677 3.009 1.00 16.10 C ATOM 2191 C ILE I 39 34.368 27.294 4.363 1.00 16.08 C ATOM 2192 O ILE I 39 35.048 26.815 5.282 1.00 15.07 O ATOM 2193 CB ILE I 39 35.285 29.213 2.933 1.00 16.63 C ATOM 2194 CG1 ILE I 39 36.287 29.492 1.791 1.00 16.19 C ATOM 2195 CG2 ILE I 39 35.856 29.715 4.289 1.00 17.42 C ATOM 2196 CD1 ILE I 39 36.174 30.957 1.237 1.00 18.60 C ATOM 2197 N LEU I 40 33.057 27.503 4.490 1.00 15.48 N ATOM 2198 CA LEU I 40 32.375 27.116 5.742 1.00 15.53 C ATOM 2199 C LEU I 40 32.299 25.612 5.965 1.00 15.38 C ATOM 2200 O LEU I 40 32.084 25.151 7.101 1.00 15.91 O ATOM 2201 CB LEU I 40 30.975 27.720 5.822 1.00 15.04 C ATOM 2202 CG LEU I 40 31.057 29.278 6.003 1.00 17.15 C ATOM 2203 CD1 LEU I 40 29.718 29.896 5.903 1.00 18.98 C ATOM 2204 CD2 LEU I 40 31.669 29.650 7.367 1.00 17.64 C ATOM 2205 N GLN I 41 32.394 24.826 4.901 1.00 14.80 N ATOM 2206 CA GLN I 41 32.484 23.375 5.095 1.00 15.99 C ATOM 2207 C GLN I 41 33.839 23.051 5.664 1.00 16.94 C ATOM 2208 O GLN I 41 33.956 22.191 6.558 1.00 17.56 O ATOM 2209 CB GLN I 41 32.338 22.631 3.788 1.00 16.56 C ATOM 2210 CG GLN I 41 30.953 22.783 3.244 1.00 16.07 C ATOM 2211 CD GLN I 41 30.714 21.913 2.015 1.00 22.00 C ATOM 2212 OE1 GLN I 41 29.560 21.590 1.679 1.00 22.08 O ATOM 2213 NE2 GLN I 41 31.800 21.552 1.330 1.00 22.52 N ATOM 2214 N ASP I 42 34.875 23.745 5.180 1.00 16.05 N ATOM 2215 CA ASP I 42 36.241 23.372 5.600 1.00 16.25 C ATOM 2216 C ASP I 42 36.552 24.006 6.940 1.00 17.78 C ATOM 2217 O ASP I 42 37.335 23.468 7.716 1.00 18.52 O ATOM 2218 CB ASP I 42 37.287 23.897 4.604 1.00 16.42 C ATOM 2219 CG ASP I 42 37.302 23.109 3.289 1.00 19.86 C ATOM 2220 OD1 ASP I 42 36.808 21.937 3.294 1.00 22.89 O ATOM 2221 OD2 ASP I 42 37.702 23.615 2.198 1.00 17.93 O ATOM 2222 N LYS I 43 35.971 25.175 7.194 1.00 16.44 N ATOM 2223 CA LYS I 43 36.295 25.970 8.379 1.00 18.07 C ATOM 2224 C LYS I 43 34.983 26.598 8.906 1.00 16.86 C ATOM 2225 O LYS I 43 34.702 27.777 8.650 1.00 17.28 O ATOM 2226 CB LYS I 43 37.285 27.063 7.939 1.00 17.94 C ATOM 2227 CG LYS I 43 37.888 27.920 9.065 1.00 21.41 C ATOM 2228 CD LYS I 43 38.884 28.958 8.417 1.00 23.61 C ATOM 2229 CE LYS I 43 39.271 30.091 9.384 1.00 23.32 C ATOM 2230 NZ LYS I 43 40.251 29.559 10.387 1.00 24.75 N ATOM 2231 N PRO I 44 34.124 25.804 9.561 1.00 17.12 N ATOM 2232 CA PRO I 44 32.786 26.273 9.905 1.00 16.79 C ATOM 2233 C PRO I 44 32.758 27.508 10.780 1.00 17.61 C ATOM 2234 O PRO I 44 31.720 28.202 10.761 1.00 17.29 O ATOM 2235 CB PRO I 44 32.161 25.089 10.713 1.00 17.25 C ATOM 2236 CG PRO I 44 32.907 23.876 10.207 1.00 18.11 C ATOM 2237 CD PRO I 44 34.331 24.386 9.901 1.00 16.74 C ATOM 2238 N ALA I 45 33.799 27.732 11.562 1.00 17.62 N ATOM 2239 CA ALA I 45 33.828 28.892 12.455 1.00 18.30 C ATOM 2240 C ALA I 45 34.426 30.141 11.763 1.00 18.90 C ATOM 2241 O ALA I 45 34.632 31.155 12.414 1.00 18.41 O ATOM 2242 CB ALA I 45 34.609 28.540 13.775 1.00 19.36 C ATOM 2243 N ALA I 46 34.687 30.069 10.443 1.00 18.38 N ATOM 2244 CA ALA I 46 35.325 31.191 9.721 1.00 18.40 C ATOM 2245 C ALA I 46 34.504 32.477 9.795 1.00 19.55 C ATOM 2246 O ALA I 46 33.272 32.457 9.655 1.00 19.74 O ATOM 2247 CB ALA I 46 35.599 30.817 8.261 1.00 17.50 C ATOM 2248 N GLN I 47 35.193 33.614 9.986 1.00 19.00 N ATOM 2249 CA GLN I 47 34.553 34.911 9.918 1.00 20.66 C ATOM 2250 C GLN I 47 34.846 35.426 8.525 1.00 20.01 C ATOM 2251 O GLN I 47 36.008 35.788 8.209 1.00 20.73 O ATOM 2252 CB GLN I 47 35.183 35.838 10.957 1.00 22.24 C ATOM 2253 CG AGLN I 47 35.024 35.293 12.387 0.67 24.47 C ATOM 2254 CG BGLN I 47 34.594 35.794 12.365 0.33 22.79 C ATOM 2255 CD AGLN I 47 33.561 35.023 12.740 0.67 31.16 C ATOM 2256 CD BGLN I 47 35.669 35.824 13.443 0.33 25.01 C ATOM 2257 OE1AGLN I 47 32.715 35.929 12.657 0.67 34.17 O ATOM 2258 OE1BGLN I 47 36.019 34.786 13.993 0.33 27.11 O ATOM 2259 NE2AGLN I 47 33.257 33.782 13.126 0.67 31.64 N ATOM 2260 NE2BGLN I 47 36.194 37.006 13.744 0.33 24.31 N ATOM 2261 N ILE I 48 33.819 35.417 7.678 1.00 19.50 N ATOM 2262 CA ILE I 48 33.978 35.718 6.283 1.00 19.54 C ATOM 2263 C ILE I 48 33.622 37.152 5.997 1.00 20.33 C ATOM 2264 O ILE I 48 32.544 37.598 6.397 1.00 21.76 O ATOM 2265 CB ILE I 48 33.112 34.763 5.392 1.00 20.30 C ATOM 2266 CG1 ILE I 48 33.719 33.360 5.467 1.00 20.32 C ATOM 2267 CG2 ILE I 48 33.162 35.232 3.899 1.00 18.25 C ATOM 2268 CD1 ILE I 48 32.965 32.283 4.722 1.00 17.35 C ATOM 2269 N ILE I 49 34.496 37.876 5.293 1.00 19.11 N ATOM 2270 CA ILE I 49 34.113 39.211 4.827 1.00 18.21 C ATOM 2271 C ILE I 49 34.376 39.296 3.321 1.00 17.42 C ATOM 2272 O ILE I 49 35.416 38.865 2.831 1.00 18.89 O ATOM 2273 CB ILE I 49 34.875 40.358 5.618 1.00 19.53 C ATOM 2274 CG1 ILE I 49 34.296 41.727 5.270 0.50 18.26 C ATOM 2275 CG2 ILE I 49 36.341 40.347 5.334 0.50 14.11 C ATOM 2276 CD1 ILE I 49 34.443 42.742 6.422 0.50 21.91 C ATOM 2277 N VAL I 50 33.441 39.880 2.614 1.00 16.74 N ATOM 2278 CA VAL I 50 33.548 40.031 1.199 1.00 16.96 C ATOM 2279 C VAL I 50 33.953 41.478 0.855 1.00 19.32 C ATOM 2280 O VAL I 50 33.312 42.429 1.283 1.00 18.91 O ATOM 2281 CB VAL I 50 32.193 39.745 0.559 1.00 17.42 C ATOM 2282 CG1 VAL I 50 32.258 40.001 -0.917 1.00 17.93 C ATOM 2283 CG2 VAL I 50 31.787 38.247 0.872 1.00 17.37 C ATOM 2284 N LEU I 51 35.010 41.620 0.071 1.00 20.11 N ATOM 2285 CA LEU I 51 35.521 42.935 -0.298 1.00 20.91 C ATOM 2286 C LEU I 51 35.717 43.011 -1.810 1.00 21.97 C ATOM 2287 O LEU I 51 35.924 42.005 -2.479 1.00 21.38 O ATOM 2288 CB LEU I 51 36.873 43.171 0.402 1.00 20.52 C ATOM 2289 CG LEU I 51 36.945 42.952 1.929 1.00 21.75 C ATOM 2290 CD1 LEU I 51 38.405 43.021 2.476 1.00 21.24 C ATOM 2291 CD2 LEU I 51 36.004 43.941 2.677 1.00 21.29 C ATOM 2292 N PRO I 52 35.730 44.214 -2.358 1.00 22.91 N ATOM 2293 CA PRO I 52 35.991 44.377 -3.796 1.00 22.89 C ATOM 2294 C PRO I 52 37.462 44.099 -4.119 1.00 22.65 C ATOM 2295 O PRO I 52 38.331 44.635 -3.421 1.00 21.22 O ATOM 2296 CB PRO I 52 35.688 45.869 -4.027 1.00 23.54 C ATOM 2297 CG PRO I 52 34.991 46.326 -2.796 1.00 24.27 C ATOM 2298 CD PRO I 52 35.560 45.503 -1.658 1.00 24.28 C ATOM 2299 N VAL I 53 37.739 43.318 -5.170 1.00 22.40 N ATOM 2300 CA VAL I 53 39.095 43.109 -5.653 1.00 22.50 C ATOM 2301 C VAL I 53 39.665 44.480 -6.100 1.00 21.87 C ATOM 2302 O VAL I 53 38.907 45.392 -6.459 1.00 21.11 O ATOM 2303 CB VAL I 53 39.125 42.091 -6.843 1.00 23.83 C ATOM 2304 CG1 VAL I 53 38.520 42.703 -8.113 1.00 23.02 C ATOM 2305 CG2 VAL I 53 40.567 41.566 -7.112 1.00 22.72 C ATOM 2306 N GLY I 54 40.983 44.638 -6.039 1.00 22.08 N ATOM 2307 CA GLY I 54 41.586 45.921 -6.365 1.00 23.22 C ATOM 2308 C GLY I 54 41.330 47.006 -5.310 1.00 24.98 C ATOM 2309 O GLY I 54 41.319 48.209 -5.635 1.00 26.31 O ATOM 2310 N THR I 55 41.067 46.616 -4.063 1.00 23.29 N ATOM 2311 CA THR I 55 41.062 47.614 -2.974 1.00 22.54 C ATOM 2312 C THR I 55 42.302 47.371 -2.128 1.00 22.20 C ATOM 2313 O THR I 55 42.973 46.342 -2.259 1.00 22.05 O ATOM 2314 CB THR I 55 39.838 47.530 -2.064 1.00 21.79 C ATOM 2315 OG1 THR I 55 39.639 46.190 -1.627 1.00 22.85 O ATOM 2316 CG2 THR I 55 38.542 47.949 -2.814 1.00 24.39 C ATOM 2317 N ILE I 56 42.620 48.329 -1.275 1.00 20.99 N ATOM 2318 CA ILE I 56 43.727 48.157 -0.358 1.00 19.66 C ATOM 2319 C ILE I 56 43.083 47.785 1.007 1.00 18.75 C ATOM 2320 O ILE I 56 42.044 48.323 1.335 1.00 17.11 O ATOM 2321 CB ILE I 56 44.497 49.512 -0.283 1.00 20.68 C ATOM 2322 CG1 ILE I 56 45.227 49.765 -1.619 1.00 22.60 C ATOM 2323 CG2 ILE I 56 45.362 49.591 1.014 1.00 18.57 C ATOM 2324 CD1AILE I 56 46.015 51.045 -1.713 0.33 18.92 C ATOM 2325 CD1BILE I 56 46.578 49.056 -1.764 0.67 21.83 C ATOM 2326 N VAL I 57 43.741 46.937 1.817 1.00 16.97 N ATOM 2327 CA VAL I 57 43.123 46.455 3.060 1.00 16.59 C ATOM 2328 C VAL I 57 44.133 46.436 4.185 1.00 15.75 C ATOM 2329 O VAL I 57 45.348 46.393 3.943 1.00 15.32 O ATOM 2330 CB VAL I 57 42.531 44.977 2.924 1.00 17.96 C ATOM 2331 CG1 VAL I 57 41.368 44.885 1.841 1.00 18.81 C ATOM 2332 CG2 VAL I 57 43.635 43.927 2.627 1.00 17.15 C ATOM 2333 N THR I 58 43.625 46.392 5.417 1.00 14.69 N ATOM 2334 CA THR I 58 44.471 46.328 6.607 1.00 14.11 C ATOM 2335 C THR I 58 45.274 45.065 6.570 1.00 15.33 C ATOM 2336 O THR I 58 44.810 44.032 6.010 1.00 16.63 O ATOM 2337 CB THR I 58 43.590 46.291 7.880 1.00 15.26 C ATOM 2338 OG1 THR I 58 42.697 45.172 7.783 1.00 17.39 O ATOM 2339 CG2 THR I 58 42.707 47.581 8.033 1.00 14.09 C ATOM 2340 N MET I 59 46.474 45.114 7.163 1.00 14.16 N ATOM 2341 CA MET I 59 47.391 43.980 7.158 1.00 15.80 C ATOM 2342 C MET I 59 47.547 43.378 8.580 1.00 15.97 C ATOM 2343 O MET I 59 48.639 42.891 8.926 1.00 15.26 O ATOM 2344 CB MET I 59 48.772 44.370 6.557 1.00 14.84 C ATOM 2345 CG MET I 59 48.675 44.573 5.040 1.00 19.73 C ATOM 2346 SD MET I 59 48.342 42.946 4.267 1.00 23.94 S ATOM 2347 CE MET I 59 47.411 43.485 2.804 1.00 24.15 C ATOM 2348 N GLU I 60 46.478 43.398 9.388 1.00 14.94 N ATOM 2349 CA GLU I 60 46.467 42.476 10.529 1.00 16.34 C ATOM 2350 C GLU I 60 46.236 41.032 10.025 1.00 16.96 C ATOM 2351 O GLU I 60 45.753 40.825 8.903 1.00 17.15 O ATOM 2352 CB GLU I 60 45.445 42.860 11.608 1.00 16.80 C ATOM 2353 CG GLU I 60 44.032 42.309 11.443 1.00 19.50 C ATOM 2354 CD GLU I 60 43.189 43.084 10.420 1.00 21.54 C ATOM 2355 OE1 GLU I 60 43.725 43.409 9.341 1.00 21.39 O ATOM 2356 OE2 GLU I 60 41.977 43.346 10.660 1.00 24.43 O ATOM 2357 N TYR I 61 46.655 40.060 10.819 1.00 16.51 N ATOM 2358 CA TYR I 61 46.489 38.649 10.449 1.00 17.69 C ATOM 2359 C TYR I 61 45.520 38.041 11.440 1.00 18.60 C ATOM 2360 O TYR I 61 45.823 37.961 12.634 1.00 17.70 O ATOM 2361 CB TYR I 61 47.829 37.925 10.435 1.00 18.90 C ATOM 2362 CG TYR I 61 47.716 36.483 9.987 1.00 21.59 C ATOM 2363 CD1 TYR I 61 47.626 36.185 8.628 1.00 25.50 C ATOM 2364 CD2 TYR I 61 47.674 35.438 10.905 1.00 24.39 C ATOM 2365 CE1 TYR I 61 47.511 34.862 8.180 1.00 30.56 C ATOM 2366 CE2 TYR I 61 47.564 34.077 10.453 1.00 30.69 C ATOM 2367 CZ TYR I 61 47.479 33.826 9.085 1.00 34.27 C ATOM 2368 OH TYR I 61 47.375 32.544 8.557 1.00 39.60 O ATOM 2369 N ARG I 62 44.331 37.671 10.951 1.00 18.01 N ATOM 2370 CA ARG I 62 43.296 37.122 11.802 1.00 19.78 C ATOM 2371 C ARG I 62 43.124 35.667 11.362 1.00 21.57 C ATOM 2372 O ARG I 62 42.645 35.399 10.225 1.00 18.62 O ATOM 2373 CB ARG I 62 41.990 37.863 11.610 1.00 20.04 C ATOM 2374 CG ARG I 62 41.965 39.336 12.110 1.00 24.14 C ATOM 2375 CD ARG I 62 40.721 40.139 11.594 1.00 30.16 C ATOM 2376 NE ARG I 62 40.602 41.434 12.284 1.00 34.13 N ATOM 2377 CZ ARG I 62 39.859 41.646 13.366 1.00 37.04 C ATOM 2378 NH1 ARG I 62 39.104 40.649 13.862 1.00 37.05 N ATOM 2379 NH2 ARG I 62 39.855 42.849 13.948 1.00 34.26 N ATOM 2380 N ILE I 63 43.513 34.747 12.245 1.00 21.88 N ATOM 2381 CA ILE I 63 43.542 33.320 11.911 1.00 24.35 C ATOM 2382 C ILE I 63 42.098 32.783 11.746 1.00 23.01 C ATOM 2383 O ILE I 63 41.872 31.728 11.156 1.00 23.83 O ATOM 2384 CB ILE I 63 44.383 32.544 13.020 1.00 25.94 C ATOM 2385 CG1 ILE I 63 44.864 31.164 12.528 1.00 30.99 C ATOM 2386 CG2 ILE I 63 43.654 32.520 14.335 1.00 27.47 C ATOM 2387 CD1 ILE I 63 45.682 30.406 13.546 1.00 34.53 C ATOM 2388 N ASP I 64 41.126 33.505 12.273 1.00 23.19 N ATOM 2389 CA ASP I 64 39.752 33.063 12.218 1.00 23.18 C ATOM 2390 C ASP I 64 39.029 33.587 10.942 1.00 22.27 C ATOM 2391 O ASP I 64 37.903 33.171 10.668 1.00 22.38 O ATOM 2392 CB ASP I 64 38.990 33.563 13.451 1.00 24.17 C ATOM 2393 CG AASP I 64 39.204 35.061 13.699 0.50 26.27 C ATOM 2394 CG BASP I 64 39.520 33.011 14.760 0.50 24.31 C ATOM 2395 OD1AASP I 64 40.362 35.531 13.964 0.50 25.37 O ATOM 2396 OD1BASP I 64 39.651 31.777 14.877 0.50 25.29 O ATOM 2397 OD2AASP I 64 38.236 35.840 13.629 0.50 30.39 O ATOM 2398 OD2BASP I 64 39.804 33.734 15.752 0.50 25.07 O ATOM 2399 N ALA I 65 39.670 34.471 10.177 1.00 19.49 N ATOM 2400 CA ALA I 65 38.991 35.190 9.081 1.00 18.81 C ATOM 2401 C ALA I 65 39.390 34.664 7.712 1.00 18.46 C ATOM 2402 O ALA I 65 40.517 34.202 7.522 1.00 18.24 O ATOM 2403 CB ALA I 65 39.362 36.666 9.120 1.00 19.89 C ATOM 2404 N VAL I 66 38.474 34.831 6.753 1.00 18.69 N ATOM 2405 CA VAL I 66 38.772 34.694 5.341 1.00 17.26 C ATOM 2406 C VAL I 66 38.131 35.858 4.629 1.00 17.39 C ATOM 2407 O VAL I 66 36.899 36.045 4.689 1.00 18.21 O ATOM 2408 CB VAL I 66 38.240 33.310 4.767 1.00 18.07 C ATOM 2409 CG1 VAL I 66 38.632 33.185 3.283 1.00 18.17 C ATOM 2410 CG2 VAL I 66 38.792 32.132 5.580 1.00 15.72 C ATOM 2411 N ARG I 67 38.957 36.670 3.966 1.00 15.70 N ATOM 2412 CA ARG I 67 38.481 37.784 3.169 1.00 16.55 C ATOM 2413 C ARG I 67 38.302 37.264 1.756 1.00 16.68 C ATOM 2414 O ARG I 67 39.196 36.644 1.201 1.00 18.26 O ATOM 2415 CB ARG I 67 39.510 38.951 3.181 1.00 16.86 C ATOM 2416 CG ARG I 67 39.764 39.432 4.589 1.00 17.92 C ATOM 2417 CD ARG I 67 40.663 40.660 4.727 1.00 24.16 C ATOM 2418 NE ARG I 67 41.529 40.467 5.914 1.00 30.87 N ATOM 2419 CZ ARG I 67 42.211 41.442 6.528 1.00 31.60 C ATOM 2420 NH1 ARG I 67 42.081 42.723 6.086 1.00 23.72 N ATOM 2421 NH2 ARG I 67 43.002 41.117 7.586 1.00 29.12 N ATOM 2422 N LEU I 68 37.129 37.493 1.179 1.00 17.11 N ATOM 2423 CA LEU I 68 36.889 37.078 -0.212 1.00 16.91 C ATOM 2424 C LEU I 68 36.840 38.337 -1.064 1.00 17.13 C ATOM 2425 O LEU I 68 35.998 39.204 -0.838 1.00 16.99 O ATOM 2426 CB LEU I 68 35.515 36.387 -0.323 1.00 15.54 C ATOM 2427 CG LEU I 68 35.337 35.097 0.489 1.00 18.14 C ATOM 2428 CD1 LEU I 68 33.892 34.568 0.329 1.00 14.57 C ATOM 2429 CD2 LEU I 68 36.366 34.032 0.012 1.00 15.80 C ATOM 2430 N PHE I 69 37.721 38.381 -2.056 1.00 16.64 N ATOM 2431 CA PHE I 69 37.848 39.489 -2.972 1.00 17.48 C ATOM 2432 C PHE I 69 37.074 39.175 -4.243 1.00 17.91 C ATOM 2433 O PHE I 69 37.403 38.222 -4.950 1.00 15.85 O ATOM 2434 CB PHE I 69 39.321 39.757 -3.272 1.00 17.00 C ATOM 2435 CG PHE I 69 40.024 40.403 -2.080 1.00 16.14 C ATOM 2436 CD1 PHE I 69 39.895 41.780 -1.857 1.00 18.92 C ATOM 2437 CD2 PHE I 69 40.693 39.628 -1.158 1.00 20.09 C ATOM 2438 CE1 PHE I 69 40.484 42.391 -0.729 1.00 21.08 C ATOM 2439 CE2 PHE I 69 41.310 40.224 0.007 1.00 19.36 C ATOM 2440 CZ PHE I 69 41.179 41.601 0.198 1.00 18.67 C ATOM 2441 N VAL I 70 36.027 39.949 -4.468 1.00 16.86 N ATOM 2442 CA VAL I 70 35.219 39.691 -5.649 1.00 19.02 C ATOM 2443 C VAL I 70 35.384 40.734 -6.743 1.00 20.03 C ATOM 2444 O VAL I 70 35.630 41.911 -6.462 1.00 19.66 O ATOM 2445 CB VAL I 70 33.748 39.560 -5.261 1.00 19.32 C ATOM 2446 CG1 VAL I 70 33.567 38.309 -4.350 1.00 17.88 C ATOM 2447 CG2 VAL I 70 33.243 40.861 -4.551 1.00 19.08 C ATOM 2448 N ASP I 71 35.200 40.312 -7.982 1.00 20.05 N ATOM 2449 CA ASP I 71 35.098 41.273 -9.047 1.00 20.42 C ATOM 2450 C ASP I 71 33.689 41.903 -9.099 1.00 20.88 C ATOM 2451 O ASP I 71 32.838 41.665 -8.203 1.00 18.93 O ATOM 2452 CB ASP I 71 35.608 40.684 -10.353 1.00 19.66 C ATOM 2453 CG ASP I 71 34.723 39.523 -10.874 1.00 22.56 C ATOM 2454 OD1 ASP I 71 33.522 39.401 -10.480 1.00 18.45 O ATOM 2455 OD2 ASP I 71 35.168 38.702 -11.672 1.00 25.65 O ATOM 2456 N ARG I 72 33.451 42.749 -10.110 1.00 21.63 N ATOM 2457 CA ARG I 72 32.204 43.505 -10.157 1.00 23.96 C ATOM 2458 C ARG I 72 31.004 42.568 -10.493 1.00 23.85 C ATOM 2459 O ARG I 72 29.866 42.982 -10.368 1.00 23.28 O ATOM 2460 CB ARG I 72 32.301 44.672 -11.159 1.00 24.97 C ATOM 2461 CG ARG I 72 32.116 44.233 -12.619 1.00 29.52 C ATOM 2462 CD ARG I 72 32.745 45.122 -13.748 1.00 41.12 C ATOM 2463 NE ARG I 72 33.077 44.278 -14.915 1.00 45.94 N ATOM 2464 CZ ARG I 72 32.191 43.834 -15.831 1.00 49.32 C ATOM 2465 NH1 ARG I 72 30.895 44.176 -15.754 1.00 48.07 N ATOM 2466 NH2 ARG I 72 32.604 43.047 -16.839 1.00 48.55 N ATOM 2467 N LEU I 73 31.284 41.330 -10.909 1.00 22.02 N ATOM 2468 CA LEU I 73 30.225 40.329 -11.168 1.00 21.75 C ATOM 2469 C LEU I 73 29.951 39.433 -9.954 1.00 21.01 C ATOM 2470 O LEU I 73 29.110 38.550 -10.029 1.00 21.36 O ATOM 2471 CB LEU I 73 30.605 39.457 -12.367 1.00 22.04 C ATOM 2472 CG LEU I 73 30.918 40.254 -13.648 1.00 22.71 C ATOM 2473 CD1 LEU I 73 31.263 39.339 -14.782 1.00 23.52 C ATOM 2474 CD2 LEU I 73 29.703 41.142 -13.976 1.00 23.15 C ATOM 2475 N ASP I 74 30.625 39.686 -8.826 1.00 19.27 N ATOM 2476 CA ASP I 74 30.536 38.860 -7.612 1.00 18.46 C ATOM 2477 C ASP I 74 31.135 37.469 -7.764 1.00 17.18 C ATOM 2478 O ASP I 74 30.696 36.515 -7.077 1.00 15.37 O ATOM 2479 CB ASP I 74 29.086 38.713 -7.096 1.00 18.85 C ATOM 2480 CG ASP I 74 28.858 39.421 -5.783 1.00 20.87 C ATOM 2481 OD1 ASP I 74 29.785 40.109 -5.274 1.00 24.86 O ATOM 2482 OD2 ASP I 74 27.763 39.364 -5.174 1.00 22.01 O ATOM 2483 N ASN I 75 32.158 37.356 -8.601 1.00 15.24 N ATOM 2484 CA ASN I 75 32.908 36.132 -8.634 1.00 15.93 C ATOM 2485 C ASN I 75 34.251 36.384 -7.928 1.00 16.23 C ATOM 2486 O ASN I 75 34.720 37.536 -7.871 1.00 16.78 O ATOM 2487 CB ASN I 75 33.153 35.723 -10.060 1.00 15.98 C ATOM 2488 CG ASN I 75 31.865 35.428 -10.797 1.00 16.39 C ATOM 2489 OD1 ASN I 75 30.945 34.831 -10.219 1.00 15.50 O ATOM 2490 ND2 ASN I 75 31.796 35.829 -12.092 1.00 16.07 N ATOM 2491 N ILE I 76 34.815 35.321 -7.383 1.00 15.97 N ATOM 2492 CA ILE I 76 36.105 35.383 -6.690 1.00 16.40 C ATOM 2493 C ILE I 76 37.219 35.712 -7.686 1.00 17.56 C ATOM 2494 O ILE I 76 37.379 35.017 -8.705 1.00 16.97 O ATOM 2495 CB ILE I 76 36.414 34.018 -5.988 1.00 15.29 C ATOM 2496 CG1 ILE I 76 35.300 33.644 -4.996 1.00 13.40 C ATOM 2497 CG2 ILE I 76 37.875 34.044 -5.354 1.00 13.99 C ATOM 2498 CD1 ILE I 76 34.993 34.724 -3.859 1.00 11.73 C ATOM 2499 N ALA I 77 37.982 36.759 -7.365 1.00 18.45 N ATOM 2500 CA ALA I 77 39.030 37.284 -8.248 1.00 20.55 C ATOM 2501 C ALA I 77 40.439 37.141 -7.691 1.00 21.38 C ATOM 2502 O ALA I 77 41.386 37.481 -8.398 1.00 22.99 O ATOM 2503 CB ALA I 77 38.776 38.728 -8.564 1.00 20.06 C ATOM 2504 N GLN I 78 40.584 36.592 -6.476 1.00 21.18 N ATOM 2505 CA GLN I 78 41.906 36.368 -5.810 1.00 20.54 C ATOM 2506 C GLN I 78 41.790 35.055 -5.019 1.00 20.38 C ATOM 2507 O GLN I 78 40.699 34.757 -4.520 1.00 19.88 O ATOM 2508 CB GLN I 78 42.105 37.510 -4.807 1.00 21.35 C ATOM 2509 CG AGLN I 78 43.378 37.523 -3.987 0.67 23.12 C ATOM 2510 CG BGLN I 78 42.983 38.636 -5.233 0.33 20.62 C ATOM 2511 CD AGLN I 78 43.676 38.935 -3.518 0.67 26.98 C ATOM 2512 CD BGLN I 78 42.478 39.965 -4.725 0.33 23.51 C ATOM 2513 OE1AGLN I 78 43.616 39.862 -4.340 0.67 27.52 O ATOM 2514 OE1BGLN I 78 42.866 40.454 -3.646 0.33 24.13 O ATOM 2515 NE2AGLN I 78 43.956 39.120 -2.206 0.67 20.60 N ATOM 2516 NE2BGLN I 78 41.602 40.563 -5.503 0.33 23.93 N ATOM 2517 N VAL I 79 42.886 34.304 -4.856 1.00 18.62 N ATOM 2518 CA VAL I 79 42.856 33.064 -4.094 1.00 19.38 C ATOM 2519 C VAL I 79 42.447 33.415 -2.661 1.00 18.62 C ATOM 2520 O VAL I 79 43.149 34.219 -1.988 1.00 19.07 O ATOM 2521 CB VAL I 79 44.271 32.409 -4.069 1.00 19.72 C ATOM 2522 CG1 VAL I 79 44.334 31.273 -3.092 1.00 18.33 C ATOM 2523 CG2 VAL I 79 44.644 31.897 -5.456 1.00 21.89 C ATOM 2524 N PRO I 80 41.333 32.865 -2.180 1.00 17.08 N ATOM 2525 CA PRO I 80 40.975 33.119 -0.772 1.00 17.17 C ATOM 2526 C PRO I 80 42.013 32.438 0.131 1.00 17.89 C ATOM 2527 O PRO I 80 42.418 31.283 -0.118 1.00 17.17 O ATOM 2528 CB PRO I 80 39.596 32.448 -0.619 1.00 16.97 C ATOM 2529 CG PRO I 80 39.065 32.336 -2.105 1.00 15.17 C ATOM 2530 CD PRO I 80 40.334 32.011 -2.863 1.00 16.14 C ATOM 2531 N ARG I 81 42.385 33.123 1.205 1.00 19.14 N ATOM 2532 CA ARG I 81 43.184 32.492 2.251 1.00 19.89 C ATOM 2533 C ARG I 81 42.787 32.987 3.642 1.00 19.61 C ATOM 2534 O ARG I 81 42.120 34.003 3.785 1.00 17.72 O ATOM 2535 CB ARG I 81 44.666 32.797 1.991 1.00 21.91 C ATOM 2536 CG ARG I 81 45.010 34.275 2.245 1.00 26.45 C ATOM 2537 CD AARG I 81 46.203 34.800 1.496 0.50 32.32 C ATOM 2538 CD BARG I 81 46.478 34.647 1.887 0.50 29.10 C ATOM 2539 NE AARG I 81 47.445 34.209 1.959 0.50 33.95 N ATOM 2540 NE BARG I 81 46.620 34.796 0.431 0.50 29.89 N ATOM 2541 CZ AARG I 81 48.140 33.313 1.259 0.50 35.21 C ATOM 2542 CZ BARG I 81 46.190 35.849 -0.276 0.50 31.70 C ATOM 2543 NH1AARG I 81 47.700 32.892 0.067 0.50 34.56 N ATOM 2544 NH1BARG I 81 45.630 36.899 0.323 0.50 30.76 N ATOM 2545 NH2AARG I 81 49.277 32.846 1.751 0.50 33.19 N ATOM 2546 NH2BARG I 81 46.344 35.864 -1.596 0.50 33.52 N ATOM 2547 N VAL I 82 43.189 32.252 4.666 1.00 19.02 N ATOM 2548 CA VAL I 82 42.990 32.709 6.042 1.00 20.22 C ATOM 2549 C VAL I 82 43.839 33.982 6.300 1.00 20.06 C ATOM 2550 O VAL I 82 44.938 34.088 5.774 1.00 21.73 O ATOM 2551 CB VAL I 82 43.430 31.588 6.972 1.00 20.11 C ATOM 2552 CG1 VAL I 82 43.534 32.065 8.431 1.00 22.71 C ATOM 2553 CG2 VAL I 82 42.418 30.376 6.843 1.00 18.44 C ATOM 2554 N GLY I 83 43.349 34.919 7.107 1.00 20.69 N ATOM 2555 CA GLY I 83 44.192 36.042 7.534 1.00 19.69 C ATOM 2556 C GLY I 83 43.389 37.318 7.590 1.00 20.78 C ATOM 2557 O GLY I 83 43.787 38.325 8.250 1.00 20.39 O ATOM 2558 OXT GLY I 83 42.272 37.389 6.986 1.00 19.50 O TER 2559 GLY I 83 HETATM 2560 CA CA E1001 50.376 54.606 28.628 1.00 15.12 CA HETATM 2561 NA NA E1002 59.760 49.111 -0.638 1.00 18.55 NA HETATM 2562 C1 CIT E2001 74.134 67.962 9.160 1.00 17.04 C HETATM 2563 O1 CIT E2001 75.283 67.502 9.111 1.00 16.36 O HETATM 2564 O2 CIT E2001 73.564 68.481 8.166 1.00 21.51 O HETATM 2565 C2 CIT E2001 73.411 67.943 10.476 1.00 14.03 C HETATM 2566 C3 CIT E2001 74.112 67.159 11.627 1.00 18.78 C HETATM 2567 O7 CIT E2001 75.596 67.414 12.084 1.00 11.43 O HETATM 2568 C4 CIT E2001 72.897 66.902 12.575 1.00 15.98 C HETATM 2569 C5 CIT E2001 72.978 65.727 13.555 1.00 17.95 C HETATM 2570 O3 CIT E2001 74.052 65.103 13.743 1.00 17.98 O HETATM 2571 O4 CIT E2001 71.949 65.379 14.186 1.00 16.47 O HETATM 2572 C6 CIT E2001 74.486 65.908 11.127 1.00 18.95 C HETATM 2573 O5 CIT E2001 75.741 65.607 11.313 1.00 12.52 O HETATM 2574 O6 CIT E2001 73.519 65.356 10.600 1.00 15.90 O HETATM 2575 C1 ACIT E2002 74.310 62.522 6.913 0.50 29.25 C HETATM 2576 C1 BCIT E2002 74.125 60.596 8.163 0.50 32.46 C HETATM 2577 O1 ACIT E2002 74.852 61.755 6.087 0.50 29.11 O HETATM 2578 O1 BCIT E2002 75.052 60.029 7.546 0.50 34.20 O HETATM 2579 O2 ACIT E2002 73.874 63.619 6.475 0.50 25.07 O HETATM 2580 O2 BCIT E2002 73.185 59.907 8.618 0.50 35.41 O HETATM 2581 C2 CIT E2002 74.153 62.092 8.385 1.00 32.16 C HETATM 2582 C3 CIT E2002 75.307 62.392 9.345 1.00 30.56 C HETATM 2583 O7 CIT E2002 75.199 61.633 10.617 1.00 26.11 O HETATM 2584 C4 CIT E2002 76.646 62.711 8.640 1.00 24.94 C HETATM 2585 C5 CIT E2002 77.738 63.349 9.519 1.00 31.20 C HETATM 2586 O3 CIT E2002 77.946 63.096 10.753 1.00 23.37 O HETATM 2587 O4 CIT E2002 78.492 64.214 8.967 1.00 36.95 O HETATM 2588 C6 CIT E2002 75.052 63.638 10.004 1.00 28.50 C HETATM 2589 O5 CIT E2002 74.828 63.561 11.251 1.00 19.20 O HETATM 2590 O6 CIT E2002 75.163 64.605 9.245 1.00 21.32 O HETATM 2591 C1 CIT E2003 32.743 50.194 29.339 1.00 48.76 C HETATM 2592 O1 CIT E2003 32.738 50.586 30.530 1.00 45.33 O HETATM 2593 O2 CIT E2003 33.292 49.104 29.003 1.00 48.74 O HETATM 2594 C2 CIT E2003 32.103 51.058 28.288 1.00 48.35 C HETATM 2595 C3 CIT E2003 33.215 51.881 27.627 1.00 50.46 C HETATM 2596 O7 CIT E2003 34.045 50.968 26.826 1.00 47.63 O HETATM 2597 C4 CIT E2003 32.489 52.822 26.656 1.00 50.36 C HETATM 2598 C5 CIT E2003 33.423 53.857 26.062 1.00 53.45 C HETATM 2599 O3 CIT E2003 34.679 53.742 26.178 1.00 53.58 O HETATM 2600 O4 CIT E2003 32.931 54.839 25.447 1.00 54.25 O HETATM 2601 C6 CIT E2003 34.094 52.672 28.665 1.00 50.85 C HETATM 2602 O5 CIT E2003 35.191 52.199 29.142 1.00 48.78 O HETATM 2603 O6 CIT E2003 33.757 53.841 29.037 1.00 50.14 O HETATM 2604 OXT 15P E5001 56.852 65.695 27.595 1.00 47.46 O HETATM 2605 C1 15P E5001 57.960 65.647 26.692 1.00 44.59 C HETATM 2606 C2 15P E5001 59.233 65.286 27.447 1.00 43.58 C HETATM 2607 O1 15P E5001 59.021 64.238 28.422 1.00 40.14 O HETATM 2608 C3 15P E5001 60.108 64.073 29.373 1.00 34.60 C HETATM 2609 C4 15P E5001 61.166 63.120 28.816 1.00 28.74 C HETATM 2610 O2 15P E5001 60.599 61.799 28.757 1.00 21.21 O HETATM 2611 C5 15P E5001 61.584 60.852 28.325 1.00 18.25 C HETATM 2612 C6 15P E5001 60.947 59.463 28.492 1.00 16.66 C HETATM 2613 O3 15P E5001 60.762 59.197 29.869 1.00 20.81 O HETATM 2614 C7 15P E5001 60.710 57.766 30.046 1.00 18.29 C HETATM 2615 O1 15P E5002 61.584 69.057 4.484 1.00 56.32 O HETATM 2616 C3 15P E5002 61.391 69.048 5.906 1.00 54.00 C HETATM 2617 C4 15P E5002 60.834 67.697 6.365 1.00 50.86 C HETATM 2618 O2 15P E5002 59.932 67.137 5.402 1.00 46.97 O HETATM 2619 C5 15P E5002 58.596 67.006 5.917 1.00 44.80 C HETATM 2620 C6 15P E5002 57.602 66.650 4.813 1.00 41.98 C HETATM 2621 O3 15P E5002 56.867 67.794 4.429 1.00 42.20 O HETATM 2622 C7 15P E5002 56.132 67.648 3.199 1.00 44.83 C HETATM 2623 C8 15P E5002 55.986 69.006 2.504 1.00 47.72 C HETATM 2624 O4 15P E5002 57.155 69.275 1.726 1.00 50.41 O HETATM 2625 C9 15P E5002 57.182 70.503 0.996 1.00 53.17 C HETATM 2626 C10 15P E5002 58.015 70.310 -0.279 1.00 55.55 C HETATM 2627 O5 15P E5002 59.404 70.090 0.021 1.00 56.81 O HETATM 2628 C1 15P E5003 36.788 66.041 19.460 1.00 54.26 C HETATM 2629 C2 15P E5003 37.689 65.642 18.298 1.00 53.53 C HETATM 2630 O1 15P E5003 38.957 65.208 18.813 1.00 53.23 O HETATM 2631 C3 15P E5003 39.925 65.008 17.778 1.00 48.65 C HETATM 2632 C4 15P E5003 41.181 65.763 18.171 1.00 48.48 C HETATM 2633 O2 15P E5003 41.553 66.645 17.136 1.00 48.83 O HETATM 2634 C5 15P E5003 42.028 67.934 17.554 1.00 50.47 C HETATM 2635 C6 15P E5003 42.225 68.814 16.303 1.00 53.04 C HETATM 2636 O3 15P E5003 41.677 68.184 15.121 1.00 53.85 O HETATM 2637 C7 15P E5003 41.663 68.950 13.900 1.00 54.19 C HETATM 2638 C8 15P E5003 40.252 68.956 13.295 1.00 55.60 C HETATM 2639 O4 15P E5003 40.162 68.099 12.152 1.00 54.89 O HETATM 2640 O HOH E5004 52.826 42.717 23.180 1.00 11.36 O HETATM 2641 O HOH E5005 50.076 47.698 15.952 1.00 11.37 O HETATM 2642 O HOH E5006 52.430 48.119 20.844 1.00 10.22 O HETATM 2643 O HOH E5007 54.796 44.007 21.642 1.00 11.84 O HETATM 2644 O HOH E5008 49.736 63.557 19.441 1.00 15.16 O HETATM 2645 O HOH E5009 61.326 63.808 22.201 1.00 12.81 O HETATM 2646 O HOH E5010 48.548 52.594 8.953 1.00 11.86 O HETATM 2647 O HOH E5011 66.720 45.664 18.309 1.00 13.07 O HETATM 2648 O HOH E5012 67.849 49.665 12.933 1.00 12.74 O HETATM 2649 O HOH E5013 60.817 63.116 7.552 1.00 14.37 O HETATM 2650 O HOH E5014 52.442 50.464 22.390 1.00 13.30 O HETATM 2651 O HOH E5015 49.320 59.588 21.455 1.00 11.82 O HETATM 2652 O HOH E5016 40.783 45.909 27.435 1.00 12.36 O HETATM 2653 O HOH E5017 53.453 60.709 26.136 1.00 13.53 O HETATM 2654 O HOH E5018 66.572 49.552 25.273 1.00 16.55 O HETATM 2655 O HOH E5019 58.718 45.163 27.590 1.00 14.82 O HETATM 2656 O HOH E5020 71.412 46.007 15.687 1.00 13.98 O HETATM 2657 O HOH E5021 54.835 46.624 20.811 1.00 9.98 O HETATM 2658 O HOH E5022 51.570 61.395 21.612 1.00 13.71 O HETATM 2659 O HOH E5023 68.645 43.779 18.307 1.00 16.03 O HETATM 2660 O HOH E5024 60.942 53.511 28.213 1.00 15.67 O HETATM 2661 O HOH E5025 54.632 66.113 19.507 1.00 14.20 O HETATM 2662 O HOH E5026 42.818 52.739 29.891 1.00 14.14 O HETATM 2663 O HOH E5027 43.960 56.281 10.744 1.00 14.74 O HETATM 2664 O HOH E5028 56.251 46.609 31.433 1.00 18.70 O HETATM 2665 O HOH E5029 70.863 51.497 3.668 1.00 13.98 O HETATM 2666 O HOH E5030 60.389 55.761 2.836 1.00 16.39 O HETATM 2667 O HOH E5031 67.548 63.679 1.150 1.00 15.72 O HETATM 2668 O HOH E5032 69.941 67.139 14.150 1.00 16.31 O HETATM 2669 O HOH E5033 52.028 47.452 1.703 1.00 18.96 O HETATM 2670 O HOH E5034 54.001 42.388 25.703 1.00 19.03 O HETATM 2671 O HOH E5035 62.229 57.366 4.049 1.00 16.06 O HETATM 2672 O HOH E5036 61.207 48.016 1.027 1.00 18.41 O HETATM 2673 O HOH E5037 42.793 50.915 31.746 1.00 21.35 O HETATM 2674 O HOH E5038 64.751 60.123 0.372 1.00 28.17 O HETATM 2675 O HOH E5039 62.662 56.319 0.497 1.00 19.37 O HETATM 2676 O HOH E5040 71.220 56.238 20.289 1.00 18.87 O HETATM 2677 O HOH E5041 36.563 43.933 26.795 1.00 17.17 O HETATM 2678 O HOH E5042 74.542 55.314 7.905 1.00 21.04 O HETATM 2679 O HOH E5043 40.335 43.688 24.167 1.00 16.62 O HETATM 2680 O HOH E5044 70.465 41.769 4.572 1.00 22.36 O HETATM 2681 O HOH E5045 36.696 52.846 10.528 1.00 19.68 O HETATM 2682 O HOH E5046 66.166 53.995 32.335 1.00 20.95 O HETATM 2683 O HOH E5047 56.167 61.019 26.160 1.00 20.65 O HETATM 2684 O HOH E5048 56.046 48.575 33.096 1.00 18.69 O HETATM 2685 O HOH E5049 75.162 52.247 15.351 1.00 23.46 O HETATM 2686 O HOH E5050 68.547 39.431 8.059 1.00 21.72 O HETATM 2687 O HOH E5051 51.469 44.797 1.338 1.00 27.34 O HETATM 2688 O HOH E5052 49.643 67.074 -1.551 1.00 24.64 O HETATM 2689 O HOH E5053 68.228 55.863 2.320 1.00 19.17 O HETATM 2690 O HOH E5054 71.704 53.624 2.380 1.00 22.97 O HETATM 2691 O HOH E5055 63.214 64.860 5.204 1.00 14.61 O HETATM 2692 O HOH E5056 70.518 62.873 3.364 1.00 24.62 O HETATM 2693 O HOH E5057 59.311 53.841 -5.627 1.00 18.48 O HETATM 2694 O HOH E5058 55.395 61.535 -7.909 1.00 22.02 O HETATM 2695 O HOH E5059 73.222 39.419 13.500 1.00 25.10 O HETATM 2696 O HOH E5060 72.230 48.810 20.439 1.00 25.18 O HETATM 2697 O HOH E5061 38.346 54.934 23.812 1.00 19.88 O HETATM 2698 O HOH E5062 36.342 54.872 17.524 1.00 17.86 O HETATM 2699 O HOH E5063 63.834 58.078 2.072 1.00 22.60 O HETATM 2700 O HOH E5064 72.118 64.717 4.203 1.00 29.34 O HETATM 2701 O HOH E5065 67.978 53.264 1.569 1.00 19.54 O HETATM 2702 O HOH E5066 37.462 57.256 26.995 1.00 25.63 O HETATM 2703 O HOH E5067 52.838 47.236 34.708 1.00 25.64 O HETATM 2704 O HOH E5068 63.629 62.113 -1.221 1.00 27.13 O HETATM 2705 O HOH E5069 60.850 59.554 -4.516 1.00 22.22 O HETATM 2706 O HOH E5070 78.128 53.733 16.873 1.00 43.50 O HETATM 2707 O HOH E5071 48.172 58.396 33.965 1.00 27.00 O HETATM 2708 O HOH E5072 67.659 41.205 19.034 1.00 26.42 O HETATM 2709 O HOH E5073 59.015 37.767 6.053 1.00 22.16 O HETATM 2710 O HOH E5074 46.703 52.692 36.457 1.00 27.40 O HETATM 2711 O HOH E5075 46.497 37.585 2.993 1.00 46.05 O HETATM 2712 O HOH E5076 50.603 62.005 -6.288 1.00 26.48 O HETATM 2713 O HOH E5077 61.103 63.492 25.238 1.00 20.51 O HETATM 2714 O HOH E5078 65.331 41.561 1.086 1.00 25.11 O HETATM 2715 O HOH E5079 73.916 41.927 12.367 1.00 24.95 O HETATM 2716 O HOH E5080 58.108 33.172 -1.777 1.00 25.46 O HETATM 2717 O HOH E5081 45.940 50.478 32.553 1.00 27.16 O HETATM 2718 O HOH E5082 54.856 43.621 28.697 1.00 33.11 O HETATM 2719 O HOH E5083 70.010 55.055 26.605 1.00 28.07 O HETATM 2720 O HOH E5084 66.333 43.233 21.378 1.00 31.54 O HETATM 2721 O HOH E5085 61.331 42.458 24.565 1.00 26.94 O HETATM 2722 O HOH E5086 72.163 65.534 8.064 1.00 35.03 O HETATM 2723 O HOH E5087 48.087 60.596 29.915 1.00 23.17 O HETATM 2724 O HOH E5088 55.935 36.935 20.213 1.00 24.98 O HETATM 2725 O HOH E5089 69.235 48.866 24.797 1.00 26.61 O HETATM 2726 O HOH E5090 66.262 56.859 1.035 1.00 25.43 O HETATM 2727 O HOH E5091 34.410 42.665 27.891 1.00 28.71 O HETATM 2728 O HOH E5092 51.505 45.096 27.435 1.00 31.16 O HETATM 2729 O HOH E5093 57.317 68.496 9.167 1.00 32.40 O HETATM 2730 O HOH E5094 63.558 56.313 30.989 1.00 22.85 O HETATM 2731 O HOH E5095 40.282 48.360 29.069 1.00 31.24 O HETATM 2732 O HOH E5096 64.067 48.043 0.439 1.00 23.79 O HETATM 2733 O HOH E5097 47.286 55.001 -12.071 0.50 11.06 O HETATM 2734 O HOH E5098 66.977 50.358 27.705 1.00 29.48 O HETATM 2735 O HOH E5099 65.002 47.437 25.527 1.00 21.79 O HETATM 2736 O HOH E5100 40.331 54.306 -6.893 1.00 27.92 O HETATM 2737 O HOH E5101 43.131 41.498 14.716 1.00 29.29 O HETATM 2738 O HOH E5102 35.711 44.139 24.187 1.00 26.52 O HETATM 2739 O HOH E5103 56.272 57.565 -9.659 1.00 30.64 O HETATM 2740 O HOH E5104 62.907 65.813 21.392 1.00 24.24 O HETATM 2741 O HOH E5105 44.731 68.309 11.323 1.00 29.00 O HETATM 2742 O HOH E5106 45.139 54.139 -8.617 1.00 29.68 O HETATM 2743 O HOH E5107 48.547 36.536 20.640 1.00 35.09 O HETATM 2744 O HOH E5108 49.133 60.067 -7.673 1.00 25.64 O HETATM 2745 O HOH E5109 51.599 64.106 23.272 1.00 36.08 O HETATM 2746 O HOH E5110 44.930 45.402 -4.749 1.00 34.23 O HETATM 2747 O HOH E5111 59.224 68.853 3.207 1.00 29.79 O HETATM 2748 O HOH E5112 71.949 60.358 4.266 1.00 37.92 O HETATM 2749 O HOH E5113 42.997 62.539 21.447 1.00 31.12 O HETATM 2750 O HOH E5114 66.439 49.625 1.052 1.00 33.79 O HETATM 2751 O HOH E5115 71.698 54.580 24.459 1.00 30.67 O HETATM 2752 O HOH E5116 64.575 63.881 0.843 1.00 30.93 O HETATM 2753 O HOH E5117 33.115 49.450 5.401 1.00 26.08 O HETATM 2754 O HOH E5118 38.528 60.123 -0.945 1.00 29.59 O HETATM 2755 O HOH E5119 57.680 55.194 31.240 1.00 13.58 O HETATM 2756 O HOH E5120 53.901 56.450 -11.193 1.00 25.94 O HETATM 2757 O HOH E5121 73.990 54.281 3.900 1.00 18.09 O HETATM 2758 O HOH E5122 65.072 45.537 0.392 1.00 41.26 O HETATM 2759 O HOH E5123 78.457 68.165 12.271 1.00 31.04 O HETATM 2760 O HOH E5124 35.207 55.205 21.442 1.00 34.31 O HETATM 2761 O HOH E5125 40.606 50.967 -5.708 1.00 28.99 O HETATM 2762 O HOH E5126 33.034 47.029 30.546 1.00 28.99 O HETATM 2763 O HOH E5127 58.663 45.625 30.677 1.00 29.65 O HETATM 2764 O HOH E5128 38.084 44.265 22.660 1.00 28.13 O HETATM 2765 O HOH E5129 38.000 64.964 7.238 1.00 24.23 O HETATM 2766 O HOH E5130 74.013 50.927 19.933 1.00 30.70 O HETATM 2767 O HOH E5131 75.575 50.844 17.453 1.00 34.95 O HETATM 2768 O HOH E5132 49.394 33.909 4.534 1.00 21.95 O HETATM 2769 O HOH E5133 35.339 61.786 3.990 1.00 38.59 O HETATM 2770 O HOH E5134 43.807 64.873 -0.234 1.00 28.13 O HETATM 2771 O HOH E5135 67.759 52.507 28.968 1.00 25.99 O HETATM 2772 O HOH E5136 32.393 52.142 5.462 1.00 28.92 O HETATM 2773 O HOH E5137 49.762 66.160 20.141 1.00 31.86 O HETATM 2774 O HOH E5138 39.186 43.585 6.285 1.00 25.98 O HETATM 2775 O HOH E5139 44.872 61.081 27.722 1.00 29.78 O HETATM 2776 O HOH E5140 35.975 57.647 18.740 1.00 29.59 O HETATM 2777 O HOH E5141 37.453 47.802 20.725 1.00 39.11 O HETATM 2778 O HOH E5142 60.843 47.880 -2.486 1.00 18.21 O HETATM 2779 O HOH E5143 45.053 69.913 3.761 1.00 24.52 O HETATM 2780 O HOH E5144 33.621 58.361 10.265 1.00 35.32 O HETATM 2781 O HOH E5145 52.470 50.095 -9.858 1.00 29.65 O HETATM 2782 O HOH E5146 66.368 32.363 6.555 1.00 42.09 O HETATM 2783 O HOH E5147 47.386 55.054 37.702 1.00 35.12 O HETATM 2784 O HOH E5148 35.530 64.837 6.890 1.00 36.73 O HETATM 2785 O HOH E5149 35.488 50.629 2.907 1.00 26.88 O HETATM 2786 O HOH E5150 76.390 58.721 18.532 1.00 32.94 O HETATM 2787 O HOH E5151 61.618 67.235 17.017 1.00 33.18 O HETATM 2788 O HOH E5152 35.198 46.178 30.715 1.00 36.40 O HETATM 2789 O HOH E5153 49.811 42.532 0.711 1.00 29.94 O HETATM 2790 O HOH E5154 61.449 48.279 28.801 1.00 32.40 O HETATM 2791 O HOH E5155 46.307 37.581 19.242 1.00 42.80 O HETATM 2792 O HOH E5156 49.176 41.702 -1.507 1.00 47.47 O HETATM 2793 O HOH E5157 32.679 55.077 1.785 1.00 27.55 O HETATM 2794 O HOH E5158 55.967 60.254 -10.168 1.00 39.50 O HETATM 2795 O HOH E5159 36.093 62.163 23.689 1.00 32.72 O HETATM 2796 O HOH E5160 30.890 48.158 6.897 1.00 44.48 O HETATM 2797 O HOH E5161 51.989 39.406 24.070 1.00 38.19 O HETATM 2798 O HOH E5162 54.650 54.142 -12.613 1.00 35.15 O HETATM 2799 O HOH E5163 66.738 43.689 2.202 1.00 45.68 O HETATM 2800 O HOH E5164 69.694 42.940 2.317 1.00 37.44 O HETATM 2801 O HOH E5165 38.889 43.705 18.299 1.00 30.28 O HETATM 2802 O HOH E5166 62.538 67.277 0.068 1.00 37.98 O HETATM 2803 O HOH E5167 61.211 65.421 9.258 1.00 31.21 O HETATM 2804 O HOH E5168 51.117 69.362 -1.538 1.00 30.91 O HETATM 2805 O HOH E5169 61.476 40.222 23.169 1.00 27.04 O HETATM 2806 O HOH E5170 58.116 40.444 -8.474 1.00 43.47 O HETATM 2807 O HOH E5171 51.863 61.702 28.327 1.00 38.67 O HETATM 2808 O HOH E5172 56.095 28.298 -0.413 1.00 46.75 O HETATM 2809 O HOH E5173 59.953 58.332 -8.990 1.00 37.53 O HETATM 2810 O HOH E5174 63.361 65.354 7.808 1.00 33.58 O HETATM 2811 O HOH E5175 54.085 60.922 -12.002 1.00 30.26 O HETATM 2812 O HOH E5176 50.918 67.928 18.650 1.00 40.11 O HETATM 2813 O HOH E5177 69.727 52.275 30.811 1.00 40.20 O HETATM 2814 O HOH E5178 57.703 68.263 12.686 1.00 32.21 O HETATM 2815 O HOH E5179 51.111 31.974 5.287 1.00 26.91 O HETATM 2816 O HOH E5180 60.311 40.775 -7.133 1.00 35.50 O HETATM 2817 O HOH E5181 49.598 39.347 24.861 1.00 48.12 O HETATM 2818 O HOH E5182 59.813 42.550 27.231 1.00 37.73 O HETATM 2819 O HOH E5183 33.702 52.556 2.946 1.00 27.90 O HETATM 2820 O HOH E5184 63.892 42.995 24.811 1.00 37.91 O HETATM 2821 O HOH E5185 51.214 40.490 -2.042 1.00 36.57 O HETATM 2822 O HOH E5186 34.052 47.602 0.779 1.00 38.48 O HETATM 2823 O HOH E5187 54.475 39.850 26.056 1.00 39.64 O HETATM 2824 O HOH E5188 70.750 37.130 2.907 1.00 39.21 O HETATM 2825 O HOH E5189 36.651 49.910 28.778 1.00 25.22 O HETATM 2826 O HOH E5190 56.277 30.488 6.204 1.00 36.52 O HETATM 2827 O HOH E5191 51.573 66.150 22.124 1.00 47.80 O HETATM 2828 O HOH E5192 55.729 32.895 17.657 1.00 36.70 O HETATM 2829 O HOH E5193 35.357 63.141 17.242 1.00 38.21 O HETATM 2830 O HOH E5194 80.188 52.343 12.899 1.00 40.18 O HETATM 2831 O HOH E5195 69.997 52.738 27.921 1.00 35.60 O HETATM 2832 O HOH E5196 46.207 60.575 -8.066 1.00 35.92 O HETATM 2833 O HOH E5197 62.284 66.811 11.682 1.00 38.34 O HETATM 2834 O HOH E5198 47.509 40.761 0.386 1.00 41.17 O HETATM 2835 O HOH E5199 50.374 69.967 10.400 1.00 38.32 O HETATM 2836 O HOH E5200 52.561 58.010 -12.761 1.00 47.72 O HETATM 2837 O HOH E5201 49.574 60.689 -10.482 1.00 34.20 O HETATM 2838 O HOH E5202 54.856 34.294 20.215 1.00 43.69 O HETATM 2839 O HOH E5203 57.349 38.079 25.347 1.00 37.57 O HETATM 2840 O HOH E5204 47.338 69.665 9.947 1.00 36.65 O HETATM 2841 O HOH E5205 58.720 47.258 -7.015 1.00 38.13 O HETATM 2842 O HOH E5206 49.992 58.302 -12.143 1.00 35.07 O HETATM 2843 O HOH E5207 63.146 65.417 26.633 1.00 45.36 O HETATM 2844 O HOH E5208 48.516 52.012 -13.241 1.00 37.18 O HETATM 2845 O HOH E5209 72.357 41.989 18.596 1.00 38.26 O HETATM 2846 O HOH E5210 63.266 31.490 9.573 1.00 28.69 O HETATM 2847 O HOH E5211 53.704 51.930 -11.700 1.00 42.42 O HETATM 2848 O HOH E5212 61.082 67.601 13.908 1.00 43.14 O HETATM 2849 O HOH E5213 35.254 50.206 16.685 1.00 31.99 O HETATM 2850 O HOH E5214 51.392 33.147 -1.015 1.00 44.23 O HETATM 2851 O HOH E5215 66.139 33.945 13.523 1.00 41.11 O HETATM 2852 O HOH E5216 34.185 56.920 24.283 1.00 36.35 O HETATM 2853 O HOH E5217 48.371 70.032 14.094 1.00 34.91 O HETATM 2854 O HOH E5218 63.973 47.524 27.965 1.00 38.11 O HETATM 2855 O HOH E5219 44.863 62.475 25.633 1.00 39.26 O HETATM 2856 O HOH E5220 36.069 49.747 -0.063 1.00 38.36 O HETATM 2857 O HOH E5221 53.994 68.889 16.032 1.00 36.72 O HETATM 2858 O HOH E5222 55.286 40.819 -4.771 1.00 42.11 O HETATM 2859 O HOH E5223 48.129 48.143 36.827 1.00 38.04 O HETATM 2860 O HOH E5224 54.258 32.060 12.684 1.00 31.81 O HETATM 2861 O HOH E5225 53.492 42.830 -8.952 1.00 42.36 O HETATM 2862 O HOH E5226 70.764 39.151 5.653 1.00 45.47 O HETATM 2863 O HOH E5227 66.878 39.912 -0.848 1.00 40.25 O HETATM 2864 O HOH E5228 45.947 58.948 32.805 1.00 36.78 O HETATM 2865 O HOH E5229 59.497 31.287 17.461 1.00 35.52 O HETATM 2866 O HOH E5230 58.063 49.711 -8.575 1.00 44.20 O HETATM 2867 O HOH E5231 74.467 61.843 3.768 1.00 43.93 O HETATM 2868 O HOH E5232 52.368 34.354 20.580 1.00 43.75 O HETATM 2869 O HOH E5233 63.772 66.202 24.093 1.00 39.89 O HETATM 2870 O HOH E5234 60.482 31.310 8.200 1.00 37.58 O HETATM 2871 O HOH E5235 61.217 53.854 -8.218 1.00 37.55 O HETATM 2872 O HOH E5236 64.391 66.874 3.416 1.00 37.43 O HETATM 2873 O HOH E5237 71.197 40.366 0.793 1.00 43.43 O HETATM 2874 O HOH E5238 45.668 58.228 35.542 1.00 36.95 O HETATM 2875 O HOH E5239 71.251 44.056 19.553 1.00 47.50 O HETATM 2876 O HOH E5240 63.939 67.631 18.761 1.00 40.16 O HETATM 2877 O HOH E5241 47.621 68.085 20.143 1.00 44.74 O HETATM 2878 O HOH E5242 45.562 69.615 13.898 1.00 35.19 O HETATM 2879 O HOH E5243 53.388 63.065 -8.334 1.00 36.82 O HETATM 2880 O HOH E5244 47.067 63.750 26.322 1.00 43.60 O HETATM 2881 O HOH E5245 41.500 68.155 8.154 1.00 42.49 O HETATM 2882 O HOH E5246 50.164 46.504 34.679 1.00 41.92 O HETATM 2883 O HOH E5247 51.363 69.448 -4.202 1.00 45.05 O HETATM 2884 O HOH E5248 72.686 36.875 9.504 1.00 39.33 O HETATM 2885 O HOH E5249 44.784 70.870 7.471 1.00 40.85 O HETATM 2886 O HOH E5250 70.551 50.202 26.904 1.00 38.67 O HETATM 2887 O HOH E5251 36.709 43.791 11.362 1.00 33.49 O HETATM 2888 O HOH E5252 70.417 49.244 30.759 1.00 46.31 O HETATM 2889 O HOH E5253 60.179 30.016 -0.022 1.00 41.19 O HETATM 2890 O HOH E5254 34.262 52.887 18.366 1.00 40.98 O HETATM 2891 O HOH E5255 62.990 47.291 -3.502 1.00 41.82 O HETATM 2892 O HOH E5256 46.110 69.149 18.083 1.00 38.39 O HETATM 2893 O HOH E5257 55.546 68.528 -2.289 1.00 39.33 O HETATM 2894 O HOH E5258 45.191 67.384 0.388 1.00 44.19 O HETATM 2895 O HOH E5259 30.012 59.734 8.159 1.00 34.46 O HETATM 2896 O HOH E5260 52.167 62.293 -11.121 1.00 43.65 O HETATM 2897 O HOH E5261 46.572 68.438 -1.497 1.00 44.56 O HETATM 2898 O HOH E5262 43.822 59.019 -7.656 1.00 40.05 O HETATM 2899 O HOH E5263 54.322 44.998 32.883 1.00 46.06 O HETATM 2900 O HOH E5264 43.758 51.412 -8.981 1.00 45.51 O HETATM 2901 O HOH E5265 47.831 57.104 -13.396 1.00 32.98 O HETATM 2902 O HOH E5266 70.433 63.957 6.805 0.50 14.84 O HETATM 2903 O HOH E5267 49.472 62.505 28.837 1.00 47.22 O HETATM 2904 O HOH E5268 42.896 60.465 -5.630 1.00 36.41 O HETATM 2905 O HOH E5269 49.595 34.574 17.756 1.00 45.44 O HETATM 2906 O HOH E5270 72.812 45.856 20.677 1.00 47.82 O HETATM 2907 O HOH E5271 68.161 36.528 17.158 1.00 38.97 O HETATM 2908 O HOH E5272 46.334 62.987 -6.413 1.00 45.51 O HETATM 2909 O HOH E5273 52.136 41.207 -4.565 1.00 43.67 O HETATM 2910 O HOH E5274 50.213 34.925 14.947 1.00 47.14 O HETATM 2911 O HOH E5275 36.187 55.533 25.133 1.00 43.44 O HETATM 2912 O HOH E5276 64.634 32.467 -2.939 1.00 47.35 O HETATM 2913 O HOH E5277 50.583 31.481 8.246 1.00 39.07 O HETATM 2914 O HOH E5278 52.831 43.458 27.630 1.00 40.11 O HETATM 2915 O HOH E5279 47.862 33.984 14.107 1.00 37.91 O HETATM 2916 O HOH E5280 64.889 67.563 8.582 1.00 47.77 O HETATM 2917 O HOH E5281 33.461 57.584 19.264 1.00 44.50 O HETATM 2918 O HOH E5282 42.696 60.371 24.105 0.50 9.17 O HETATM 2919 O HOH E5283 31.822 54.620 -0.918 1.00 39.58 O HETATM 2920 O HOH E5284 35.719 48.774 -6.159 1.00 43.30 O HETATM 2921 O HOH E5285 43.425 56.255 -8.160 1.00 38.79 O HETATM 2922 O HOH E5286 45.415 39.850 14.803 1.00 18.37 O HETATM 2923 O HOH E5287 63.358 54.140 29.272 1.00 12.19 O HETATM 2924 O HOH E5288 76.538 42.109 18.045 1.00 39.45 O HETATM 2925 O HOH E5289 56.363 46.479 -8.917 1.00 40.45 O HETATM 2926 O HOH E5290 74.315 57.559 6.516 1.00 38.10 O HETATM 2927 O HOH E5291 59.036 37.430 -7.615 1.00 49.60 O HETATM 2928 O HOH E5292 60.187 44.571 -7.239 1.00 40.85 O HETATM 2929 O HOH E5293 78.193 56.961 17.013 1.00 26.10 O HETATM 2930 O HOH E5294 66.727 45.003 24.847 1.00 43.15 O HETATM 2931 O HOH E5295 66.497 31.815 -0.267 1.00 38.08 O HETATM 2932 O HOH E5296 56.423 66.896 23.594 1.00 37.36 O HETATM 2933 O HOH E5297 65.572 32.560 16.068 1.00 50.88 O HETATM 2934 O HOH E5298 53.418 54.326 -15.347 1.00 44.72 O HETATM 2935 O HOH E5299 43.215 63.084 23.869 1.00 36.49 O HETATM 2936 O HOH E5300 73.705 39.628 16.017 1.00 31.89 O HETATM 2937 O HOH E5301 35.046 56.982 -4.034 1.00 42.05 O HETATM 2938 O HOH E5302 75.408 58.612 9.638 1.00 45.37 O HETATM 2939 O HOH E5303 48.845 48.402 31.721 1.00 24.94 O HETATM 2940 O HOH E5304 32.934 45.807 27.928 1.00 45.55 O HETATM 2941 O HOH E5305 34.170 45.944 11.460 1.00 46.05 O HETATM 2942 O HOH E5306 64.420 52.400 30.742 1.00 43.17 O HETATM 2943 O HOH E5307 31.470 62.462 1.955 1.00 40.29 O HETATM 2944 O HOH E5308 36.528 60.015 -2.801 1.00 45.04 O HETATM 2945 O HOH E5309 54.364 70.391 18.436 1.00 44.97 O HETATM 2946 O HOH E5310 60.683 51.049 -9.451 1.00 37.44 O HETATM 2947 O HOH E5311 49.343 70.087 17.080 1.00 47.00 O HETATM 2948 O HOH E5312 43.288 69.741 9.190 1.00 39.91 O HETATM 2949 O HOH E5313 55.692 69.623 14.925 1.00 44.39 O HETATM 2950 O HOH E5314 42.973 65.499 21.202 1.00 43.80 O HETATM 2951 O HOH E5315 73.896 59.988 21.913 1.00 39.75 O HETATM 2952 O HOH E5316 57.624 61.307 28.322 1.00 18.34 O HETATM 2953 O HOH E5317 45.657 54.708 -11.455 0.50 24.20 O HETATM 2954 O HOH E5318 74.404 52.826 26.232 1.00 50.10 O HETATM 2955 O HOH E5319 77.122 66.469 8.229 1.00 39.04 O HETATM 2956 O HOH E5320 39.009 67.917 16.241 1.00 45.18 O HETATM 2957 O AHOH E5321 65.213 50.104 30.231 0.50 27.42 O HETATM 2958 O HOH E5322 80.213 61.615 16.480 1.00 40.68 O HETATM 2959 O HOH E5323 53.537 71.565 2.172 1.00 47.17 O HETATM 2960 O HOH E5324 79.978 59.122 17.364 1.00 50.19 O HETATM 2961 O HOH E5325 50.835 64.401 25.544 1.00 44.00 O HETATM 2962 O HOH E5326 41.543 60.870 25.412 0.50 22.15 O HETATM 2963 O HOH E5327 69.625 46.293 24.797 1.00 47.42 O HETATM 2964 O HOH E5328 69.879 34.380 12.537 1.00 51.42 O HETATM 2965 O HOH E5329 64.014 49.226 -1.979 1.00 45.03 O HETATM 2966 O HOH E5330 64.816 33.516 -5.384 1.00 52.36 O HETATM 2967 O HOH E5331 61.346 38.023 -6.697 1.00 48.29 O HETATM 2968 O HOH E5332 30.551 52.381 9.629 1.00 45.18 O HETATM 2969 O HOH E5333 39.257 61.539 -5.267 1.00 39.76 O HETATM 2970 O HOH E5334 60.125 31.349 11.038 1.00 47.36 O HETATM 2971 O HOH E5335 36.268 48.267 17.701 1.00 43.48 O HETATM 2972 O HOH E5336 49.981 59.480 34.442 1.00 45.38 O HETATM 2973 O HOH E5337 38.213 55.373 -6.306 1.00 44.90 O HETATM 2974 O HOH E5338 72.942 50.318 26.254 1.00 46.95 O HETATM 2975 O HOH E5339 53.767 33.377 14.525 1.00 42.99 O HETATM 2976 O HOH E5340 33.318 53.371 21.548 1.00 50.82 O HETATM 2977 O HOH E5341 61.730 35.358 23.662 1.00 44.86 O HETATM 2978 O HOH E5342 64.025 39.110 20.573 1.00 46.53 O HETATM 2979 O HOH E5343 48.684 45.235 27.752 1.00 43.61 O HETATM 2980 O HOH E5344 41.428 51.764 -8.666 1.00 38.89 O HETATM 2981 O HOH E5345 53.444 36.023 -5.276 1.00 43.63 O HETATM 2982 O HOH E5346 65.429 71.065 12.205 1.00 44.57 O HETATM 2983 O HOH E5347 55.744 63.107 29.758 1.00 50.40 O HETATM 2984 O HOH E5348 58.745 33.886 20.486 1.00 41.65 O HETATM 2985 O HOH E5349 63.946 71.555 14.299 1.00 35.53 O HETATM 2986 O HOH E5350 62.050 66.979 27.982 1.00 37.28 O HETATM 2987 O HOH E5351 48.095 42.226 28.767 1.00 41.98 O HETATM 2988 O HOH E5352 77.703 51.466 18.837 1.00 43.71 O HETATM 2989 O HOH E5353 57.256 51.864 -12.452 1.00 53.24 O HETATM 2990 O HOH E5354 54.698 31.097 -6.434 1.00 49.86 O HETATM 2991 O HOH E5355 54.886 67.897 21.424 1.00 49.58 O HETATM 2992 O HOH E5356 67.388 72.906 8.643 1.00 45.53 O HETATM 2993 O HOH E5357 55.171 36.883 23.088 1.00 50.01 O HETATM 2994 O HOH E5358 34.435 46.659 23.506 1.00 39.41 O HETATM 2995 O HOH E5359 34.835 50.342 -2.371 1.00 34.94 O HETATM 2996 O HOH E5360 68.204 46.603 -0.268 1.00 47.88 O HETATM 2997 O HOH E5361 71.248 35.730 13.981 1.00 42.56 O HETATM 2998 O HOH E5362 68.446 34.473 14.847 1.00 44.50 O HETATM 2999 O HOH E5363 68.174 50.075 -0.295 1.00 44.16 O HETATM 3000 O HOH E5364 38.867 63.516 24.078 1.00 42.90 O HETATM 3001 O HOH E5365 53.864 30.635 4.310 1.00 43.65 O HETATM 3002 O HOH E5366 60.981 67.772 24.029 1.00 51.86 O HETATM 3003 O HOH E5367 69.465 39.452 19.024 1.00 45.09 O HETATM 3004 O HOH E5368 45.199 60.006 30.054 1.00 46.34 O HETATM 3005 O HOH E5369 32.569 56.269 -3.342 1.00 39.69 O HETATM 3006 O HOH E5370 57.406 41.466 27.872 1.00 46.40 O HETATM 3007 O HOH E5371 29.765 52.193 4.803 1.00 51.54 O HETATM 3008 O HOH E5372 32.395 48.835 -3.045 1.00 55.76 O HETATM 3009 O HOH E5373 78.825 47.391 18.928 1.00 51.41 O HETATM 3010 O HOH E5374 51.109 38.276 -3.650 1.00 54.47 O HETATM 3011 O HOH E5375 56.252 50.117 -10.784 1.00 47.36 O HETATM 3012 O HOH E5376 70.472 42.679 22.155 1.00 43.48 O HETATM 3013 O HOH E5377 47.535 39.943 3.270 1.00 36.93 O HETATM 3014 O HOH E5378 78.383 57.648 19.105 1.00 54.63 O HETATM 3015 O HOH E5379 74.742 62.521 13.941 0.50 13.50 O HETATM 3016 O HOH E5380 77.078 61.219 18.908 0.50 23.90 O HETATM 3017 O HOH E5381 59.791 38.668 25.415 1.00 42.37 O HETATM 3018 O HOH I 84 29.956 29.075 -8.303 1.00 17.12 O HETATM 3019 O HOH I 85 28.643 25.363 4.011 1.00 16.52 O HETATM 3020 O HOH I 86 26.802 30.564 0.223 1.00 14.80 O HETATM 3021 O HOH I 87 41.888 36.470 4.509 1.00 17.83 O HETATM 3022 O HOH I 88 39.647 36.133 -2.414 1.00 16.90 O HETATM 3023 O HOH I 89 41.827 36.093 1.138 1.00 20.29 O HETATM 3024 O HOH I 90 31.184 31.003 10.710 1.00 20.52 O HETATM 3025 O HOH I 91 30.879 25.657 -9.863 1.00 17.95 O HETATM 3026 O HOH I 92 46.049 39.034 6.522 1.00 18.46 O HETATM 3027 O HOH I 93 42.451 36.659 -1.424 1.00 28.43 O HETATM 3028 O HOH I 94 40.229 44.596 9.009 1.00 28.20 O HETATM 3029 O HOH I 95 34.219 36.926 -13.349 1.00 18.46 O HETATM 3030 O HOH I 96 47.062 32.555 5.513 1.00 26.98 O HETATM 3031 O HOH I 97 45.260 35.467 -6.166 1.00 25.65 O HETATM 3032 O HOH I 98 30.954 40.708 3.888 1.00 26.12 O HETATM 3033 O HOH I 99 25.748 20.671 -0.268 1.00 26.85 O HETATM 3034 O HOH I 100 43.415 37.755 2.768 1.00 23.80 O HETATM 3035 O HOH I 101 31.312 33.987 8.292 1.00 31.69 O HETATM 3036 O HOH I 102 25.063 23.330 -3.337 1.00 30.88 O HETATM 3037 O HOH I 103 43.945 44.014 -0.935 1.00 39.10 O HETATM 3038 O HOH I 104 23.621 24.892 -0.620 1.00 33.84 O HETATM 3039 O HOH I 105 44.662 41.203 0.009 1.00 25.10 O HETATM 3040 O HOH I 106 30.724 42.481 -6.743 1.00 33.82 O HETATM 3041 O HOH I 107 25.086 36.619 -2.330 1.00 29.94 O HETATM 3042 O HOH I 108 34.380 44.385 -7.094 1.00 32.34 O HETATM 3043 O HOH I 109 37.909 35.655 -11.337 1.00 32.39 O HETATM 3044 O HOH I 110 27.448 32.216 4.420 1.00 31.73 O HETATM 3045 O HOH I 111 34.659 21.864 1.297 1.00 33.48 O HETATM 3046 O HOH I 112 29.229 27.348 10.247 1.00 27.54 O HETATM 3047 O HOH I 113 40.430 33.427 18.181 1.00 47.59 O HETATM 3048 O HOH I 114 29.686 42.031 -3.202 1.00 36.82 O HETATM 3049 O HOH I 115 37.726 38.273 -11.983 1.00 36.46 O HETATM 3050 O HOH I 116 25.756 32.813 0.177 1.00 32.45 O HETATM 3051 O HOH I 117 29.434 33.722 5.306 1.00 41.21 O HETATM 3052 O HOH I 118 38.671 21.018 7.473 1.00 35.52 O HETATM 3053 O HOH I 119 38.136 24.802 11.216 1.00 39.18 O HETATM 3054 O HOH I 120 23.883 31.090 -1.332 1.00 32.61 O HETATM 3055 O HOH I 121 40.847 44.843 12.664 1.00 26.78 O HETATM 3056 O HOH I 122 45.644 35.623 14.214 1.00 28.52 O HETATM 3057 O HOH I 123 43.582 29.570 -8.547 1.00 35.96 O HETATM 3058 O HOH I 124 35.663 43.854 -11.433 1.00 35.12 O HETATM 3059 O HOH I 125 27.697 42.527 -8.241 1.00 50.62 O HETATM 3060 O HOH I 126 28.460 31.471 9.553 1.00 38.31 O HETATM 3061 O HOH I 127 42.685 42.977 -4.134 1.00 43.87 O HETATM 3062 O HOH I 128 43.966 40.465 2.469 1.00 25.38 O HETATM 3063 O HOH I 129 32.003 43.939 -2.913 1.00 35.25 O HETATM 3064 O HOH I 130 34.922 32.910 -13.703 1.00 35.52 O HETATM 3065 O HOH I 131 45.460 41.261 4.912 1.00 29.83 O HETATM 3066 O HOH I 132 28.333 20.020 -0.201 1.00 34.36 O HETATM 3067 O HOH I 133 45.796 34.765 -1.785 0.50 23.64 O HETATM 3068 O HOH I 134 27.178 24.212 -4.119 1.00 25.41 O HETATM 3069 O HOH I 135 37.745 22.404 -0.114 1.00 33.48 O HETATM 3070 O HOH I 136 36.381 45.897 -7.666 1.00 39.11 O HETATM 3071 O HOH I 137 32.122 44.276 -0.355 1.00 36.40 O HETATM 3072 O HOH I 138 31.221 22.862 -4.258 1.00 43.74 O HETATM 3073 O HOH I 139 31.370 20.855 -1.283 1.00 48.24 O HETATM 3074 O HOH I 140 29.255 22.835 -2.834 1.00 45.29 O HETATM 3075 O HOH I 141 27.435 39.276 -2.667 1.00 40.20 O HETATM 3076 O HOH I 142 26.624 35.567 -0.330 1.00 41.59 O HETATM 3077 O HOH I 143 37.475 23.145 -2.484 1.00 33.96 O HETATM 3078 O HOH I 144 45.155 24.361 -0.160 1.00 45.16 O HETATM 3079 O HOH I 145 39.116 40.746 -11.492 1.00 44.02 O HETATM 3080 O HOH I 146 27.842 43.632 -12.434 1.00 41.57 O HETATM 3081 O HOH I 147 39.105 40.965 16.946 1.00 40.95 O HETATM 3082 O HOH I 148 29.136 43.029 -17.305 1.00 46.08 O HETATM 3083 O HOH I 149 40.459 28.402 -9.850 1.00 46.00 O HETATM 3084 O HOH I 150 38.291 48.124 -6.494 1.00 52.57 O HETATM 3085 O HOH I 151 29.460 37.913 3.940 1.00 45.56 O HETATM 3086 O HOH I 152 41.570 40.051 16.380 1.00 35.14 O HETATM 3087 O HOH I 153 30.792 31.974 13.037 1.00 40.09 O HETATM 3088 O HOH I 154 42.622 36.940 15.801 1.00 46.82 O HETATM 3089 O HOH I 155 36.365 34.737 16.060 1.00 39.87 O HETATM 3090 O HOH I 156 26.360 31.081 6.846 1.00 44.33 O HETATM 3091 O HOH I 157 36.333 26.343 11.968 1.00 27.80 O HETATM 3092 O HOH I 158 45.927 25.159 2.639 1.00 39.56 O HETATM 3093 O HOH I 159 46.336 36.763 5.092 1.00 32.86 O HETATM 3094 O HOH I 160 29.641 45.246 -13.981 1.00 47.37 O HETATM 3095 O HOH I 161 38.734 37.979 13.360 1.00 36.37 O HETATM 3096 O HOH I 162 47.881 29.689 4.156 1.00 49.72 O HETATM 3097 O HOH I 163 34.892 40.713 -14.376 1.00 48.33 O HETATM 3098 O HOH I 164 36.398 40.177 9.614 1.00 40.43 O HETATM 3099 O HOH I 165 32.566 38.645 12.270 1.00 53.23 O HETATM 3100 O HOH I 166 47.747 24.989 5.607 1.00 45.73 O HETATM 3101 O HOH I 167 32.245 45.032 -5.191 1.00 37.11 O HETATM 3102 O HOH I 168 46.661 38.445 -2.914 1.00 48.04 O HETATM 3103 O HOH I 169 28.217 39.155 2.032 1.00 43.19 O HETATM 3104 O HOH I 170 36.021 23.606 -4.230 1.00 47.24 O HETATM 3105 O HOH I 171 45.059 38.166 -6.373 1.00 63.76 O HETATM 3106 O HOH I 172 34.259 38.931 10.308 1.00 40.35 O HETATM 3107 O HOH I 173 43.882 40.659 -6.950 1.00 39.35 O HETATM 3108 O HOH I 174 47.280 37.938 -5.466 1.00 46.20 O CONECT 13 2560 CONECT 298 2560 CONECT 299 2560 CONECT 534 2560 CONECT 553 2560 CONECT 564 2560 CONECT 576 2560 CONECT 1179 2561 CONECT 1192 2561 CONECT 1217 2561 CONECT 2560 13 298 299 534 CONECT 2560 553 564 576 CONECT 2561 1179 1192 1217 2672 CONECT 2561 2778 CONECT 2562 2563 2564 2565 CONECT 2563 2562 CONECT 2564 2562 CONECT 2565 2562 2566 CONECT 2566 2565 2567 2568 2572 CONECT 2567 2566 CONECT 2568 2566 2569 CONECT 2569 2568 2570 2571 CONECT 2570 2569 CONECT 2571 2569 CONECT 2572 2566 2573 2574 CONECT 2573 2572 CONECT 2574 2572 CONECT 2575 2577 2579 2581 CONECT 2576 2578 2580 2581 CONECT 2577 2575 CONECT 2578 2576 CONECT 2579 2575 CONECT 2580 2576 CONECT 2581 2575 2576 2582 CONECT 2582 2581 2583 2584 2588 CONECT 2583 2582 CONECT 2584 2582 2585 CONECT 2585 2584 2586 2587 CONECT 2586 2585 CONECT 2587 2585 CONECT 2588 2582 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2592 2593 2594 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2591 2595 CONECT 2595 2594 2596 2597 2601 CONECT 2596 2595 CONECT 2597 2595 2598 CONECT 2598 2597 2599 2600 CONECT 2599 2598 CONECT 2600 2598 CONECT 2601 2595 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2605 CONECT 2605 2604 2606 CONECT 2606 2605 2607 CONECT 2607 2606 2608 CONECT 2608 2607 2609 CONECT 2609 2608 2610 CONECT 2610 2609 2611 CONECT 2611 2610 2612 CONECT 2612 2611 2613 CONECT 2613 2612 2614 CONECT 2614 2613 CONECT 2615 2616 CONECT 2616 2615 2617 CONECT 2617 2616 2618 CONECT 2618 2617 2619 CONECT 2619 2618 2620 CONECT 2620 2619 2621 CONECT 2621 2620 2622 CONECT 2622 2621 2623 CONECT 2623 2622 2624 CONECT 2624 2623 2625 CONECT 2625 2624 2626 CONECT 2626 2625 2627 CONECT 2627 2626 CONECT 2628 2629 CONECT 2629 2628 2630 CONECT 2630 2629 2631 CONECT 2631 2630 2632 CONECT 2632 2631 2633 CONECT 2633 2632 2634 CONECT 2634 2633 2635 CONECT 2635 2634 2636 CONECT 2636 2635 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 CONECT 2672 2561 CONECT 2778 2561 MASTER 447 0 8 11 15 0 19 6 3043 2 94 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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RCSB PDB
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64-mer
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PDBbind
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
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RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
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PDBbind
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RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y48
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
1.84(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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