Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 18-NOV-04 1Y1K TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 T58A 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: PCI2T58A 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 1Y1K 1 REMARK REVDAT 2 24-FEB-09 1Y1K 1 VERSN REVDAT 1 17-MAY-05 1Y1K 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. 1.56 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) : 1.56 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 81.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 66395 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) : 0.165 REMARK 3 R VALUE (WORKING SET) : 0.164 REMARK 3 FREE R VALUE : 0.185 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3516 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) : 1.56 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.60 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4695 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2300 REMARK 3 BIN FREE R VALUE SET COUNT : 254 REMARK 3 BIN FREE R VALUE : 0.2580 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2507 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 81 REMARK 3 SOLVENT ATOMS : 499 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.28 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.27000 REMARK 3 B22 (A**2) : 0.27000 REMARK 3 B33 (A**2) : -0.41000 REMARK 3 B12 (A**2) : 0.14000 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): 0.063 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.064 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.041 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.157 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.961 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2690 ; 0.020 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3647 ; 1.865 ; 1.960 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 346 ; 5.720 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 408 ; 0.136 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2015 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1291 ; 0.210 ; 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): 343 ; 0.180 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 7 ; 0.062 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 37 ; 0.439 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 55 ; 0.238 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1718 ; 0.980 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2773 ; 1.657 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 972 ; 2.752 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 873 ; 4.520 ; 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 1Y1K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-NOV-04. REMARK 100 THE DEPOSITION ID IS D_1000030999. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-OCT-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 69911 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.560 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 (%) : 99.5 REMARK 200 DATA REDUNDANCY : 5.600 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: 1TM3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 63.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.40 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, ISOPROPANOL, PEG 2000, REMARK 280 PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 124.91667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 62.45833 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 93.68750 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 31.22917 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 156.14583 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 124.91667 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 62.45833 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 31.22917 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 93.68750 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 156.14583 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2330 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13360 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP I 64 O HOH I 179 2.04 REMARK 500 O3 CIT E 2002 O HOH E 5385 2.09 REMARK 500 O HOH E 5293 O HOH E 5387 2.10 REMARK 500 O HOH E 5090 O HOH E 5277 2.11 REMARK 500 O HOH E 5133 O HOH E 5372 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 C7 15P E 5001 C7 15P E 5001 9765 1.71 REMARK 500 O HOH E 5141 O HOH E 5362 9765 1.93 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 32 CB - CG - OD2 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP E 259 CB - CG - OD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP I 74 CB - CG - OD2 ANGL. DEV. = 6.2 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 -149.22 -168.00 REMARK 500 SER E 63 -23.16 109.48 REMARK 500 ALA E 73 24.48 -150.10 REMARK 500 ASN E 77 -157.56 -158.40 REMARK 500 SER E 159 68.20 -152.96 REMARK 500 ASP E 181 -169.30 -100.31 REMARK 500 ASP E 197 -60.52 -101.74 REMARK 500 LEU E 257 -120.81 -118.67 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 ASP E 41 OD2 REMARK 620 2 GLN E 2 OE1 148.5 REMARK 620 3 ASP E 41 OD1 41.8 163.6 REMARK 620 4 ILE E 79 O 80.1 103.7 90.3 REMARK 620 5 VAL E 81 O 54.2 94.3 92.9 95.2 REMARK 620 6 LEU E 75 O 102.8 76.8 88.5 173.9 90.8 REMARK 620 7 ASN E 77 OD1 123.8 87.4 86.5 80.4 175.5 93.6 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 TYR E 171 O REMARK 620 2 HOH E5035 O 159.3 REMARK 620 3 HOH E5136 O 87.6 88.7 REMARK 620 4 VAL E 174 O 90.0 82.7 148.6 REMARK 620 5 GLY E 169 O 93.6 107.1 102.9 108.5 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: 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: 1Y48 RELATED DB: PDB REMARK 900 RELATED ID: 1Y4A RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y1K E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y1K I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y1K HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y1K HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y1K HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y1K HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y1K HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y1K HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y1K MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y1K ALA I 58 UNP Q40059 THR 59 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL ALA SEQRES 4 I 64 MET GLU TYR ARG ILE ASP ARG VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1001 1 HET NA E1002 1 HET CIT E2001 13 HET CIT E2002 13 HET CIT E2003 13 HET 15P E5001 11 HET 15P E5002 16 HET 15P E5003 13 HETNAM CA CALCIUM ION HETNAM NA SODIUM ION HETNAM CIT CITRIC ACID HETNAM 15P POLYETHYLENE GLYCOL (N=34) HETSYN 15P PEG 1500 FORMUL 3 CA CA 2+ FORMUL 4 NA NA 1+ FORMUL 5 CIT 3(C6 H8 O7) FORMUL 8 15P 3(C69 H140 O35) FORMUL 11 HOH *499(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLY E 20 1 9 HELIX 3 3 SER E 63 ALA E 74 1 12 HELIX 4 4 GLN E 103 ASN E 117 1 15 HELIX 5 5 SER E 132 SER E 145 1 14 HELIX 6 6 GLY E 219 HIS E 238 1 20 HELIX 7 7 THR E 242 ASN E 252 1 11 HELIX 8 8 ASP E 259 GLY E 264 1 6 HELIX 9 9 ASN E 269 ALA E 274 1 6 HELIX 10 10 TRP I 24 VAL I 28 5 5 HELIX 11 11 SER I 31 LYS I 43 1 13 SHEET 1 A 7 VAL E 44 SER E 49 0 SHEET 2 A 7 SER E 89 LYS E 94 1 O LEU E 90 N ALA E 45 SHEET 3 A 7 LYS E 27 ASP E 32 1 N VAL E 28 O SER E 89 SHEET 4 A 7 VAL E 121 MET E 124 1 O ASN E 123 N ALA E 29 SHEET 5 A 7 VAL E 148 ALA E 152 1 O VAL E 148 N ILE E 122 SHEET 6 A 7 ILE E 175 VAL E 180 1 O ILE E 175 N ALA E 151 SHEET 7 A 7 VAL E 198 PRO E 201 1 O VAL E 198 N GLY E 178 SHEET 1 B 3 SER E 101 GLY E 102 0 SHEET 2 B 3 ILE I 56 ALA I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O ASP I 64 N GLN I 47 SHEET 3 D 3 VAL I 82 GLY I 83 -1 O GLY I 83 N ARG I 65 LINK CA CA E1001 OD2 ASP E 41 1555 1555 3.32 LINK CA CA E1001 OE1 GLN E 2 1555 1555 2.38 LINK CA CA E1001 OD1 ASP E 41 1555 1555 2.47 LINK CA CA E1001 O ILE E 79 1555 1555 2.41 LINK CA CA E1001 O VAL E 81 1555 1555 2.48 LINK CA CA E1001 O LEU E 75 1555 1555 2.35 LINK CA CA E1001 OD1 ASN E 77 1555 1555 2.36 LINK NA NA E1002 O TYR E 171 1555 1555 2.36 LINK NA NA E1002 O HOH E5035 1555 1555 2.54 LINK NA NA E1002 O HOH E5136 1555 1555 2.43 LINK NA NA E1002 O VAL E 174 1555 1555 2.29 LINK NA NA E1002 O GLY E 169 1555 1555 2.40 CISPEP 1 TYR E 167 PRO E 168 0 6.40 SITE 1 AC1 6 GLN E 2 ASP E 41 LEU E 75 ASN E 77 SITE 2 AC1 6 ILE E 79 VAL E 81 SITE 1 AC2 5 GLY E 169 TYR E 171 VAL E 174 HOH E5035 SITE 2 AC2 5 HOH E5136 SITE 1 AC3 13 ALA E 1 TYR E 21 LYS E 237 HIS E 238 SITE 2 AC3 13 ASN E 240 TRP E 241 HIS E 276 CIT E2002 SITE 3 AC3 13 HOH E5031 HOH E5085 HOH E5119 HOH E5307 SITE 4 AC3 13 HOH E5318 SITE 1 AC4 14 TRP E 241 GLN E 245 HIS E 276 CIT E2001 SITE 2 AC4 14 HOH E5063 HOH E5085 HOH E5218 HOH E5226 SITE 3 AC4 14 HOH E5298 HOH E5301 HOH E5307 HOH E5318 SITE 4 AC4 14 HOH E5384 HOH E5385 SITE 1 AC5 12 PRO E 172 GLY E 211 LYS E 213 ARG E 247 SITE 2 AC5 12 HOH E5038 HOH E5064 HOH E5089 HOH E5122 SITE 3 AC5 12 HOH E5184 HOH E5211 HOH E5273 HOH E5373 SITE 1 AC6 6 HIS E 17 THR E 22 ASN E 76 HOH E5076 SITE 2 AC6 6 HOH E5314 HOH E5344 SITE 1 AC7 7 ILE E 115 ASN E 118 MET E 119 SER E 145 SITE 2 AC7 7 VAL E 147 HOH E5107 HOH E5162 SITE 1 AC8 5 SER E 37 VAL E 44 ALA E 45 PHE E 58 SITE 2 AC8 5 HOH E5319 CRYST1 94.053 94.053 187.375 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 0.010632 0.006139 0.000000 0.00000 SCALE2 0.000000 0.012277 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005337 0.00000 ATOM 1 N ALA E 1 49.048 51.281 36.948 1.00 14.44 N ATOM 2 CA ALA E 1 50.480 51.296 36.479 1.00 12.04 C ATOM 3 C ALA E 1 50.506 51.055 34.996 1.00 12.89 C ATOM 4 O ALA E 1 49.647 50.349 34.436 1.00 13.73 O ATOM 5 CB ALA E 1 51.287 50.179 37.187 1.00 13.18 C ATOM 6 N GLN E 2 51.487 51.668 34.358 1.00 10.64 N ATOM 7 CA GLN E 2 51.753 51.458 32.932 1.00 10.35 C ATOM 8 C GLN E 2 52.612 50.207 32.693 1.00 11.33 C ATOM 9 O GLN E 2 53.435 49.824 33.516 1.00 11.53 O ATOM 10 CB GLN E 2 52.490 52.700 32.422 1.00 9.76 C ATOM 11 CG GLN E 2 52.988 52.644 30.973 1.00 10.46 C ATOM 12 CD GLN E 2 53.500 54.009 30.577 1.00 10.98 C ATOM 13 OE1 GLN E 2 52.756 54.823 29.993 1.00 10.31 O ATOM 14 NE2 GLN E 2 54.778 54.291 30.951 1.00 10.58 N ATOM 15 N SER E 3 52.398 49.567 31.536 1.00 10.05 N ATOM 16 CA SER E 3 53.161 48.387 31.116 1.00 11.42 C ATOM 17 C SER E 3 53.864 48.744 29.811 1.00 11.23 C ATOM 18 O SER E 3 53.335 49.498 28.967 1.00 11.29 O ATOM 19 CB SER E 3 52.217 47.185 30.899 1.00 13.32 C ATOM 20 OG ASER E 3 51.219 47.422 29.972 0.33 11.49 O ATOM 21 OG BSER E 3 52.820 46.256 30.037 0.33 14.94 O ATOM 22 OG CSER E 3 51.509 46.895 32.087 0.33 13.89 O ATOM 23 N VAL E 4 55.060 48.216 29.626 1.00 10.73 N ATOM 24 CA VAL E 4 55.792 48.425 28.369 1.00 10.22 C ATOM 25 C VAL E 4 55.665 47.164 27.514 1.00 10.27 C ATOM 26 O VAL E 4 56.242 46.113 27.886 1.00 12.42 O ATOM 27 CB VAL E 4 57.261 48.713 28.670 1.00 10.44 C ATOM 28 CG1 VAL E 4 58.006 48.984 27.327 1.00 11.97 C ATOM 29 CG2 VAL E 4 57.396 49.948 29.645 1.00 11.56 C ATOM 30 N PRO E 5 54.916 47.208 26.422 1.00 9.77 N ATOM 31 CA PRO E 5 54.787 45.993 25.597 1.00 10.44 C ATOM 32 C PRO E 5 56.157 45.495 25.182 1.00 11.20 C ATOM 33 O PRO E 5 57.089 46.281 24.932 1.00 10.73 O ATOM 34 CB PRO E 5 53.989 46.462 24.371 1.00 11.57 C ATOM 35 CG PRO E 5 53.133 47.645 24.940 1.00 12.66 C ATOM 36 CD PRO E 5 54.125 48.347 25.892 1.00 11.14 C ATOM 37 N TYR E 6 56.264 44.178 25.019 1.00 10.90 N ATOM 38 CA TYR E 6 57.587 43.621 24.737 1.00 10.40 C ATOM 39 C TYR E 6 58.254 44.210 23.483 1.00 10.78 C ATOM 40 O TYR E 6 59.524 44.342 23.448 1.00 10.78 O ATOM 41 CB TYR E 6 57.534 42.057 24.610 1.00 10.10 C ATOM 42 CG TYR E 6 57.119 41.548 23.217 1.00 11.22 C ATOM 43 CD1 TYR E 6 58.070 41.382 22.185 1.00 13.32 C ATOM 44 CD2 TYR E 6 55.794 41.174 22.934 1.00 12.21 C ATOM 45 CE1 TYR E 6 57.696 40.911 20.904 1.00 13.66 C ATOM 46 CE2 TYR E 6 55.421 40.718 21.649 1.00 12.69 C ATOM 47 CZ TYR E 6 56.396 40.578 20.656 1.00 15.20 C ATOM 48 OH TYR E 6 56.070 40.113 19.379 1.00 17.81 O ATOM 49 N GLY E 7 57.444 44.558 22.490 1.00 10.26 N ATOM 50 CA GLY E 7 57.996 44.993 21.197 1.00 10.51 C ATOM 51 C GLY E 7 58.675 46.353 21.320 1.00 11.83 C ATOM 52 O GLY E 7 59.689 46.608 20.630 1.00 10.26 O ATOM 53 N VAL E 8 58.165 47.195 22.220 1.00 10.31 N ATOM 54 CA VAL E 8 58.781 48.535 22.459 1.00 9.98 C ATOM 55 C VAL E 8 60.201 48.339 23.040 1.00 10.90 C ATOM 56 O VAL E 8 61.181 49.000 22.626 1.00 10.90 O ATOM 57 CB VAL E 8 57.911 49.346 23.442 1.00 10.13 C ATOM 58 CG1 VAL E 8 58.589 50.712 23.808 1.00 10.81 C ATOM 59 CG2 VAL E 8 56.586 49.646 22.733 1.00 10.06 C ATOM 60 N SER E 9 60.336 47.394 23.978 1.00 10.78 N ATOM 61 CA SER E 9 61.647 47.063 24.542 1.00 11.19 C ATOM 62 C SER E 9 62.550 46.387 23.529 1.00 10.92 C ATOM 63 O SER E 9 63.772 46.605 23.493 1.00 11.99 O ATOM 64 CB SER E 9 61.501 46.161 25.791 1.00 12.87 C ATOM 65 OG SER E 9 60.734 46.877 26.780 1.00 14.55 O ATOM 66 N GLN E 10 61.947 45.533 22.705 1.00 11.61 N ATOM 67 CA GLN E 10 62.743 44.708 21.777 1.00 11.30 C ATOM 68 C GLN E 10 63.500 45.570 20.735 1.00 12.10 C ATOM 69 O GLN E 10 64.644 45.204 20.322 1.00 12.46 O ATOM 70 CB GLN E 10 61.833 43.701 21.072 1.00 11.42 C ATOM 71 CG GLN E 10 62.583 42.698 20.182 1.00 13.21 C ATOM 72 CD GLN E 10 61.696 41.492 19.861 1.00 17.63 C ATOM 73 OE1 GLN E 10 60.857 41.130 20.679 1.00 20.30 O ATOM 74 NE2 GLN E 10 61.902 40.855 18.707 1.00 17.18 N ATOM 75 N ILE E 11 62.856 46.651 20.313 1.00 11.11 N ATOM 76 CA ILE E 11 63.528 47.566 19.332 1.00 10.01 C ATOM 77 C ILE E 11 64.432 48.599 20.045 1.00 11.18 C ATOM 78 O ILE E 11 65.042 49.427 19.356 1.00 11.22 O ATOM 79 CB ILE E 11 62.507 48.279 18.426 1.00 9.08 C ATOM 80 CG1 ILE E 11 61.620 49.285 19.242 1.00 9.91 C ATOM 81 CG2 ILE E 11 61.635 47.260 17.627 1.00 9.81 C ATOM 82 CD1 ILE E 11 60.878 50.291 18.317 1.00 11.01 C ATOM 83 N LYS E 12 64.509 48.528 21.369 1.00 11.62 N ATOM 84 CA LYS E 12 65.417 49.379 22.190 1.00 11.66 C ATOM 85 C LYS E 12 64.944 50.822 22.267 1.00 11.56 C ATOM 86 O LYS E 12 65.743 51.736 22.506 1.00 12.15 O ATOM 87 CB LYS E 12 66.878 49.241 21.747 1.00 13.53 C ATOM 88 CG LYS E 12 67.345 47.762 21.830 1.00 15.09 C ATOM 89 CD LYS E 12 68.837 47.670 21.632 1.00 20.67 C ATOM 90 CE LYS E 12 69.320 46.228 21.438 1.00 25.93 C ATOM 91 NZ LYS E 12 69.082 45.361 22.636 1.00 31.25 N ATOM 92 N ALA E 13 63.642 51.033 22.168 1.00 11.24 N ATOM 93 CA ALA E 13 63.106 52.368 22.398 1.00 10.09 C ATOM 94 C ALA E 13 63.397 52.900 23.807 1.00 10.86 C ATOM 95 O ALA E 13 63.610 54.118 23.923 1.00 10.41 O ATOM 96 CB ALA E 13 61.580 52.401 22.104 1.00 9.44 C ATOM 97 N PRO E 14 63.392 52.086 24.876 1.00 10.47 N ATOM 98 CA PRO E 14 63.654 52.669 26.214 1.00 11.15 C ATOM 99 C PRO E 14 65.019 53.319 26.277 1.00 12.07 C ATOM 100 O PRO E 14 65.148 54.270 27.084 1.00 13.21 O ATOM 101 CB PRO E 14 63.551 51.474 27.166 1.00 12.11 C ATOM 102 CG PRO E 14 62.452 50.607 26.437 1.00 11.85 C ATOM 103 CD PRO E 14 62.923 50.661 24.967 1.00 11.00 C ATOM 104 N ALA E 15 65.987 52.909 25.464 1.00 11.70 N ATOM 105 CA ALA E 15 67.295 53.633 25.494 1.00 11.43 C ATOM 106 C ALA E 15 67.151 55.071 25.018 1.00 12.34 C ATOM 107 O ALA E 15 67.818 55.999 25.552 1.00 13.61 O ATOM 108 CB ALA E 15 68.356 52.907 24.646 1.00 12.38 C ATOM 109 N LEU E 16 66.334 55.286 24.007 1.00 10.88 N ATOM 110 CA LEU E 16 66.077 56.685 23.596 1.00 11.10 C ATOM 111 C LEU E 16 65.318 57.453 24.677 1.00 10.24 C ATOM 112 O LEU E 16 65.642 58.623 24.952 1.00 10.91 O ATOM 113 CB LEU E 16 65.258 56.764 22.266 1.00 11.44 C ATOM 114 CG LEU E 16 66.023 56.769 20.943 1.00 12.63 C ATOM 115 CD1 LEU E 16 66.732 58.130 20.781 1.00 13.64 C ATOM 116 CD2 LEU E 16 67.060 55.649 20.965 1.00 13.43 C ATOM 117 N HIS E 17 64.272 56.834 25.277 1.00 10.48 N ATOM 118 CA HIS E 17 63.519 57.498 26.328 1.00 10.34 C ATOM 119 C HIS E 17 64.459 57.926 27.471 1.00 10.60 C ATOM 120 O HIS E 17 64.303 59.037 27.975 1.00 11.78 O ATOM 121 CB HIS E 17 62.466 56.508 26.893 1.00 11.02 C ATOM 122 CG HIS E 17 61.447 56.081 25.857 1.00 10.94 C ATOM 123 ND1 HIS E 17 60.530 55.071 26.102 1.00 13.29 N ATOM 124 CD2 HIS E 17 61.222 56.506 24.586 1.00 10.23 C ATOM 125 CE1 HIS E 17 59.783 54.897 25.015 1.00 13.15 C ATOM 126 NE2 HIS E 17 60.182 55.751 24.078 1.00 9.96 N ATOM 127 N SER E 18 65.403 57.063 27.847 1.00 10.83 N ATOM 128 CA SER E 18 66.310 57.393 28.958 1.00 10.88 C ATOM 129 C SER E 18 67.260 58.552 28.607 1.00 10.93 C ATOM 130 O SER E 18 67.716 59.241 29.517 1.00 10.48 O ATOM 131 CB SER E 18 67.134 56.191 29.457 1.00 11.59 C ATOM 132 OG ASER E 18 66.281 55.144 29.911 0.50 11.27 O ATOM 133 OG BSER E 18 68.073 55.775 28.522 0.50 12.76 O ATOM 134 N GLN E 19 67.571 58.709 27.309 1.00 10.83 N ATOM 135 CA GLN E 19 68.362 59.861 26.844 1.00 10.04 C ATOM 136 C GLN E 19 67.537 61.158 26.844 1.00 11.01 C ATOM 137 O GLN E 19 68.112 62.242 26.661 1.00 10.50 O ATOM 138 CB GLN E 19 68.867 59.586 25.412 1.00 10.55 C ATOM 139 CG GLN E 19 69.957 58.497 25.329 1.00 12.19 C ATOM 140 CD GLN E 19 70.241 58.191 23.829 1.00 17.12 C ATOM 141 OE1 GLN E 19 70.413 59.108 23.081 1.00 20.64 O ATOM 142 NE2 GLN E 19 70.219 56.917 23.396 1.00 21.03 N ATOM 143 N GLY E 20 66.206 61.044 27.000 1.00 10.79 N ATOM 144 CA GLY E 20 65.309 62.195 27.033 1.00 10.95 C ATOM 145 C GLY E 20 64.534 62.415 25.737 1.00 12.13 C ATOM 146 O GLY E 20 63.939 63.505 25.520 1.00 13.26 O ATOM 147 N TYR E 21 64.587 61.418 24.836 1.00 10.45 N ATOM 148 CA TYR E 21 63.967 61.598 23.514 1.00 10.30 C ATOM 149 C TYR E 21 62.774 60.675 23.318 1.00 10.96 C ATOM 150 O TYR E 21 62.861 59.455 23.541 1.00 11.62 O ATOM 151 CB TYR E 21 65.013 61.382 22.394 1.00 11.16 C ATOM 152 CG TYR E 21 66.087 62.451 22.458 1.00 11.08 C ATOM 153 CD1 TYR E 21 65.763 63.761 22.170 1.00 13.44 C ATOM 154 CD2 TYR E 21 67.386 62.125 22.852 1.00 12.39 C ATOM 155 CE1 TYR E 21 66.714 64.775 22.265 1.00 15.22 C ATOM 156 CE2 TYR E 21 68.388 63.173 22.964 1.00 12.03 C ATOM 157 CZ TYR E 21 67.986 64.472 22.667 1.00 15.73 C ATOM 158 OH TYR E 21 68.914 65.491 22.745 1.00 18.28 O ATOM 159 N THR E 22 61.643 61.292 22.963 1.00 10.37 N ATOM 160 CA THR E 22 60.334 60.580 22.961 1.00 10.21 C ATOM 161 C THR E 22 59.484 60.950 21.758 1.00 10.50 C ATOM 162 O THR E 22 58.300 60.671 21.743 1.00 10.12 O ATOM 163 CB THR E 22 59.521 60.889 24.230 1.00 10.84 C ATOM 164 OG1 THR E 22 59.414 62.335 24.378 1.00 11.81 O ATOM 165 CG2 THR E 22 60.254 60.365 25.483 1.00 11.24 C ATOM 166 N GLY E 23 60.065 61.604 20.752 1.00 9.66 N ATOM 167 CA GLY E 23 59.309 62.007 19.559 1.00 9.67 C ATOM 168 C GLY E 23 58.633 63.363 19.656 1.00 9.73 C ATOM 169 O GLY E 23 57.828 63.674 18.768 1.00 10.18 O ATOM 170 N SER E 24 59.023 64.193 20.644 1.00 10.65 N ATOM 171 CA SER E 24 58.416 65.526 20.780 1.00 12.34 C ATOM 172 C SER E 24 58.559 66.344 19.511 1.00 13.44 C ATOM 173 O SER E 24 59.631 66.389 18.912 1.00 14.93 O ATOM 174 CB SER E 24 59.104 66.295 21.891 1.00 13.31 C ATOM 175 OG ASER E 24 58.888 65.691 23.122 0.67 13.25 O ATOM 176 OG BSER E 24 58.264 67.366 22.306 0.33 12.94 O ATOM 177 N ASN E 25 57.456 66.984 19.136 1.00 14.69 N ATOM 178 CA ASN E 25 57.378 67.901 17.986 1.00 16.75 C ATOM 179 C ASN E 25 57.500 67.207 16.644 1.00 17.03 C ATOM 180 O ASN E 25 57.567 67.893 15.610 1.00 20.40 O ATOM 181 CB ASN E 25 58.404 69.059 18.093 1.00 17.38 C ATOM 182 CG ASN E 25 58.173 69.910 19.339 1.00 24.68 C ATOM 183 OD1 ASN E 25 57.047 70.336 19.613 1.00 29.96 O ATOM 184 ND2 ASN E 25 59.223 70.093 20.133 1.00 31.24 N ATOM 185 N VAL E 26 57.467 65.870 16.624 1.00 12.72 N ATOM 186 CA VAL E 26 57.497 65.190 15.334 1.00 11.85 C ATOM 187 C VAL E 26 56.062 64.820 14.948 1.00 11.32 C ATOM 188 O VAL E 26 55.331 64.265 15.762 1.00 12.63 O ATOM 189 CB VAL E 26 58.346 63.897 15.405 1.00 10.66 C ATOM 190 CG1 VAL E 26 58.419 63.202 14.033 1.00 11.47 C ATOM 191 CG2 VAL E 26 59.808 64.213 15.869 1.00 12.45 C ATOM 192 N LYS E 27 55.672 65.137 13.723 1.00 11.64 N ATOM 193 CA LYS E 27 54.279 64.931 13.275 1.00 11.59 C ATOM 194 C LYS E 27 54.179 63.590 12.536 1.00 12.21 C ATOM 195 O LYS E 27 54.875 63.376 11.515 1.00 12.31 O ATOM 196 CB LYS E 27 53.859 66.100 12.334 1.00 12.44 C ATOM 197 CG LYS E 27 53.732 67.424 13.105 1.00 13.89 C ATOM 198 CD LYS E 27 53.249 68.523 12.138 1.00 18.62 C ATOM 199 CE LYS E 27 53.157 69.862 12.863 1.00 24.03 C ATOM 200 NZ LYS E 27 54.546 70.455 12.854 1.00 31.05 N ATOM 201 N VAL E 28 53.362 62.668 13.089 1.00 10.28 N ATOM 202 CA VAL E 28 53.188 61.331 12.487 1.00 10.56 C ATOM 203 C VAL E 28 51.721 61.137 12.052 1.00 11.36 C ATOM 204 O VAL E 28 50.808 61.232 12.922 1.00 11.20 O ATOM 205 CB VAL E 28 53.553 60.217 13.503 1.00 11.47 C ATOM 206 CG1 VAL E 28 53.407 58.860 12.821 1.00 11.82 C ATOM 207 CG2 VAL E 28 54.991 60.409 14.015 1.00 11.87 C ATOM 208 N ALA E 29 51.506 60.893 10.757 1.00 11.28 N ATOM 209 CA ALA E 29 50.165 60.586 10.252 1.00 12.20 C ATOM 210 C ALA E 29 49.984 59.079 10.276 1.00 11.02 C ATOM 211 O ALA E 29 50.760 58.370 9.646 1.00 12.66 O ATOM 212 CB ALA E 29 49.989 61.098 8.817 1.00 13.19 C ATOM 213 N VAL E 30 48.939 58.607 10.964 1.00 12.11 N ATOM 214 CA VAL E 30 48.511 57.209 10.901 1.00 11.05 C ATOM 215 C VAL E 30 47.389 57.198 9.874 1.00 11.98 C ATOM 216 O VAL E 30 46.286 57.662 10.135 1.00 13.30 O ATOM 217 CB VAL E 30 48.077 56.715 12.300 1.00 10.91 C ATOM 218 CG1 VAL E 30 47.474 55.319 12.259 1.00 11.51 C ATOM 219 CG2 VAL E 30 49.322 56.692 13.290 1.00 12.09 C ATOM 220 N ILE E 31 47.744 56.696 8.694 1.00 12.69 N ATOM 221 CA ILE E 31 46.826 56.650 7.536 1.00 13.12 C ATOM 222 C ILE E 31 46.164 55.277 7.625 1.00 12.98 C ATOM 223 O ILE E 31 46.796 54.245 7.361 1.00 13.47 O ATOM 224 CB ILE E 31 47.614 56.854 6.241 1.00 13.33 C ATOM 225 CG1 ILE E 31 48.259 58.253 6.237 1.00 14.15 C ATOM 226 CG2 ILE E 31 46.669 56.704 4.999 1.00 14.49 C ATOM 227 CD1 ILE E 31 48.888 58.697 4.825 1.00 12.93 C ATOM 228 N ASP E 32 44.910 55.291 8.079 1.00 12.53 N ATOM 229 CA ASP E 32 44.296 54.058 8.599 1.00 13.59 C ATOM 230 C ASP E 32 42.777 54.224 8.788 1.00 14.26 C ATOM 231 O ASP E 32 42.135 55.002 8.072 1.00 15.33 O ATOM 232 CB ASP E 32 44.975 53.723 9.938 1.00 13.00 C ATOM 233 CG ASP E 32 45.117 52.219 10.168 1.00 14.37 C ATOM 234 OD1 ASP E 32 44.035 51.578 10.341 1.00 14.06 O ATOM 235 OD2 ASP E 32 46.229 51.610 10.221 1.00 14.88 O ATOM 236 N SER E 33 42.207 53.522 9.770 1.00 13.09 N ATOM 237 CA SER E 33 40.737 53.527 9.947 1.00 13.90 C ATOM 238 C SER E 33 40.232 54.599 10.894 1.00 14.44 C ATOM 239 O SER E 33 39.078 54.562 11.339 1.00 16.52 O ATOM 240 CB SER E 33 40.234 52.148 10.431 1.00 15.24 C ATOM 241 OG SER E 33 40.723 51.833 11.774 1.00 14.20 O ATOM 242 N GLY E 34 41.101 55.570 11.222 1.00 13.95 N ATOM 243 CA GLY E 34 40.747 56.586 12.207 1.00 13.58 C ATOM 244 C GLY E 34 41.529 56.315 13.502 1.00 13.73 C ATOM 245 O GLY E 34 42.256 55.306 13.584 1.00 15.19 O ATOM 246 N ILE E 35 41.390 57.201 14.473 1.00 13.00 N ATOM 247 CA ILE E 35 41.941 56.953 15.841 1.00 13.14 C ATOM 248 C ILE E 35 40.928 57.415 16.882 1.00 14.48 C ATOM 249 O ILE E 35 40.467 58.566 16.804 1.00 15.53 O ATOM 250 CB ILE E 35 43.259 57.754 16.101 1.00 13.42 C ATOM 251 CG1 ILE E 35 44.301 57.513 14.978 1.00 13.63 C ATOM 252 CG2 ILE E 35 43.867 57.370 17.475 1.00 13.13 C ATOM 253 CD1 ILE E 35 45.560 58.393 15.135 1.00 14.90 C ATOM 254 N ASP E 36 40.603 56.575 17.859 1.00 13.40 N ATOM 255 CA ASP E 36 39.652 56.979 18.888 1.00 15.09 C ATOM 256 C ASP E 36 40.283 58.027 19.811 1.00 16.47 C ATOM 257 O ASP E 36 41.064 57.670 20.725 1.00 16.06 O ATOM 258 CB ASP E 36 39.233 55.758 19.709 1.00 15.01 C ATOM 259 CG ASP E 36 38.245 56.118 20.817 1.00 17.08 C ATOM 260 OD1 ASP E 36 37.847 57.295 20.979 1.00 20.05 O ATOM 261 OD2 ASP E 36 37.848 55.256 21.615 1.00 24.00 O ATOM 262 N SER E 37 39.928 59.293 19.592 1.00 17.91 N ATOM 263 CA SER E 37 40.555 60.421 20.304 1.00 18.84 C ATOM 264 C SER E 37 40.157 60.488 21.765 1.00 18.30 C ATOM 265 O SER E 37 40.855 61.134 22.542 1.00 22.22 O ATOM 266 CB SER E 37 40.244 61.793 19.641 1.00 20.08 C ATOM 267 OG SER E 37 38.849 62.028 19.581 1.00 25.12 O ATOM 268 N SER E 38 39.096 59.778 22.143 1.00 17.18 N ATOM 269 CA SER E 38 38.646 59.749 23.540 1.00 16.31 C ATOM 270 C SER E 38 39.458 58.807 24.421 1.00 16.37 C ATOM 271 O SER E 38 39.232 58.752 25.630 1.00 17.10 O ATOM 272 CB SER E 38 37.159 59.381 23.620 1.00 16.79 C ATOM 273 OG ASER E 38 36.969 58.047 23.223 0.50 18.27 O ATOM 274 OG BSER E 38 36.351 60.483 23.212 0.50 15.09 O ATOM 275 N HIS E 39 40.371 58.012 23.821 1.00 14.28 N ATOM 276 CA HIS E 39 41.111 57.033 24.632 1.00 12.86 C ATOM 277 C HIS E 39 42.077 57.776 25.570 1.00 12.81 C ATOM 278 O HIS E 39 42.858 58.619 25.095 1.00 13.05 O ATOM 279 CB HIS E 39 41.916 56.106 23.705 1.00 12.29 C ATOM 280 CG HIS E 39 42.338 54.840 24.392 1.00 11.05 C ATOM 281 ND1 HIS E 39 43.200 54.851 25.474 1.00 10.87 N ATOM 282 CD2 HIS E 39 42.010 53.538 24.175 1.00 10.81 C ATOM 283 CE1 HIS E 39 43.368 53.605 25.900 1.00 11.17 C ATOM 284 NE2 HIS E 39 42.683 52.787 25.101 1.00 11.48 N ATOM 285 N PRO E 40 42.060 57.514 26.865 1.00 12.40 N ATOM 286 CA PRO E 40 42.917 58.267 27.791 1.00 11.74 C ATOM 287 C PRO E 40 44.399 57.981 27.626 1.00 12.70 C ATOM 288 O PRO E 40 45.206 58.766 28.193 1.00 13.49 O ATOM 289 CB PRO E 40 42.465 57.790 29.180 1.00 12.18 C ATOM 290 CG PRO E 40 41.965 56.423 28.952 1.00 12.47 C ATOM 291 CD PRO E 40 41.236 56.518 27.570 1.00 11.88 C ATOM 292 N ASP E 41 44.766 56.934 26.878 1.00 10.64 N ATOM 293 CA ASP E 41 46.205 56.661 26.689 1.00 9.66 C ATOM 294 C ASP E 41 46.693 57.161 25.301 1.00 10.28 C ATOM 295 O ASP E 41 47.778 56.752 24.865 1.00 10.97 O ATOM 296 CB ASP E 41 46.462 55.152 26.844 1.00 10.82 C ATOM 297 CG ASP E 41 47.883 54.816 27.236 1.00 13.39 C ATOM 298 OD1 ASP E 41 48.507 55.640 27.929 1.00 11.52 O ATOM 299 OD2 ASP E 41 48.380 53.696 26.884 1.00 13.50 O ATOM 300 N LEU E 42 45.911 58.030 24.640 1.00 10.77 N ATOM 301 CA LEU E 42 46.331 58.627 23.367 1.00 11.80 C ATOM 302 C LEU E 42 46.044 60.120 23.394 1.00 13.43 C ATOM 303 O LEU E 42 45.065 60.584 24.043 1.00 13.98 O ATOM 304 CB LEU E 42 45.538 58.015 22.185 1.00 11.65 C ATOM 305 CG LEU E 42 45.745 56.525 21.928 1.00 10.60 C ATOM 306 CD1 LEU E 42 44.758 56.039 20.855 1.00 12.50 C ATOM 307 CD2 LEU E 42 47.187 56.183 21.496 1.00 13.55 C ATOM 308 N LYS E 43 46.876 60.863 22.691 1.00 12.35 N ATOM 309 CA LYS E 43 46.588 62.255 22.423 1.00 13.66 C ATOM 310 C LYS E 43 46.624 62.500 20.930 1.00 13.39 C ATOM 311 O LYS E 43 47.689 62.444 20.291 1.00 15.52 O ATOM 312 CB LYS E 43 47.596 63.157 23.156 1.00 13.94 C ATOM 313 CG LYS E 43 47.296 64.673 22.901 1.00 18.20 C ATOM 314 CD LYS E 43 48.153 65.558 23.828 1.00 24.83 C ATOM 315 CE LYS E 43 48.010 67.054 23.592 1.00 34.55 C ATOM 316 NZ LYS E 43 49.032 67.799 24.436 1.00 37.75 N ATOM 317 N VAL E 44 45.455 62.752 20.347 1.00 13.58 N ATOM 318 CA VAL E 44 45.404 63.010 18.916 1.00 14.31 C ATOM 319 C VAL E 44 45.505 64.542 18.627 1.00 15.04 C ATOM 320 O VAL E 44 44.689 65.333 19.144 1.00 16.72 O ATOM 321 CB VAL E 44 44.123 62.426 18.297 1.00 14.27 C ATOM 322 CG1 VAL E 44 44.048 62.761 16.768 1.00 15.75 C ATOM 323 CG2 VAL E 44 44.063 60.903 18.525 1.00 15.33 C ATOM 324 N ALA E 45 46.464 64.932 17.785 1.00 15.11 N ATOM 325 CA ALA E 45 46.763 66.370 17.579 1.00 14.40 C ATOM 326 C ALA E 45 45.897 66.963 16.458 1.00 16.23 C ATOM 327 O ALA E 45 45.761 68.210 16.381 1.00 17.62 O ATOM 328 CB ALA E 45 48.243 66.588 17.208 1.00 15.45 C ATOM 329 N GLY E 46 45.373 66.114 15.572 1.00 14.90 N ATOM 330 CA GLY E 46 44.646 66.598 14.398 1.00 15.57 C ATOM 331 C GLY E 46 44.376 65.467 13.433 1.00 14.86 C ATOM 332 O GLY E 46 44.576 64.285 13.757 1.00 14.87 O ATOM 333 N GLY E 47 43.878 65.800 12.254 1.00 16.09 N ATOM 334 CA GLY E 47 43.595 64.778 11.251 1.00 16.13 C ATOM 335 C GLY E 47 42.481 65.196 10.294 1.00 17.35 C ATOM 336 O GLY E 47 42.018 66.335 10.330 1.00 18.51 O ATOM 337 N ALA E 48 42.090 64.251 9.458 1.00 16.73 N ATOM 338 CA ALA E 48 41.067 64.474 8.428 1.00 16.85 C ATOM 339 C ALA E 48 40.567 63.132 7.953 1.00 17.29 C ATOM 340 O ALA E 48 41.303 62.140 7.970 1.00 15.77 O ATOM 341 CB ALA E 48 41.694 65.232 7.258 1.00 17.81 C ATOM 342 N SER E 49 39.302 63.075 7.502 1.00 18.23 N ATOM 343 CA SER E 49 38.802 61.847 6.902 1.00 19.44 C ATOM 344 C SER E 49 38.639 61.942 5.380 1.00 19.93 C ATOM 345 O SER E 49 38.029 62.912 4.900 1.00 21.71 O ATOM 346 CB SER E 49 37.425 61.472 7.465 1.00 19.95 C ATOM 347 OG SER E 49 37.007 60.286 6.808 1.00 19.61 O ATOM 348 N MET E 50 39.106 60.916 4.675 1.00 20.06 N ATOM 349 CA MET E 50 38.970 60.769 3.200 1.00 20.03 C ATOM 350 C MET E 50 37.871 59.738 2.854 1.00 21.57 C ATOM 351 O MET E 50 37.716 59.378 1.664 1.00 23.79 O ATOM 352 CB MET E 50 40.292 60.311 2.562 1.00 19.90 C ATOM 353 CG MET E 50 41.504 61.126 2.992 1.00 20.21 C ATOM 354 SD MET E 50 41.279 62.892 2.610 1.00 24.35 S ATOM 355 CE MET E 50 42.135 63.647 4.016 1.00 25.54 C ATOM 356 N VAL E 51 37.145 59.247 3.866 1.00 21.57 N ATOM 357 CA VAL E 51 36.096 58.245 3.657 1.00 22.79 C ATOM 358 C VAL E 51 34.764 58.982 3.510 1.00 23.64 C ATOM 359 O VAL E 51 34.272 59.568 4.466 1.00 22.88 O ATOM 360 CB VAL E 51 36.053 57.198 4.821 1.00 22.47 C ATOM 361 CG1 VAL E 51 34.936 56.178 4.616 1.00 23.79 C ATOM 362 CG2 VAL E 51 37.397 56.461 4.903 1.00 21.71 C ATOM 363 N PRO E 52 34.188 58.974 2.300 1.00 25.52 N ATOM 364 CA PRO E 52 32.988 59.792 2.033 1.00 27.38 C ATOM 365 C PRO E 52 31.821 59.560 3.010 1.00 27.82 C ATOM 366 O PRO E 52 31.171 60.515 3.455 1.00 29.74 O ATOM 367 CB PRO E 52 32.624 59.426 0.584 1.00 27.54 C ATOM 368 CG PRO E 52 33.880 58.936 -0.035 1.00 26.45 C ATOM 369 CD PRO E 52 34.656 58.242 1.112 1.00 25.20 C ATOM 370 N SER E 53 31.568 58.322 3.410 1.00 29.18 N ATOM 371 CA SER E 53 30.453 58.099 4.336 1.00 29.80 C ATOM 372 C SER E 53 30.800 58.090 5.850 1.00 29.98 C ATOM 373 O SER E 53 29.915 57.903 6.718 1.00 29.67 O ATOM 374 CB SER E 53 29.715 56.826 3.927 1.00 30.76 C ATOM 375 OG SER E 53 30.498 55.698 4.249 1.00 33.60 O ATOM 376 N GLU E 54 32.086 58.296 6.176 1.00 28.16 N ATOM 377 CA GLU E 54 32.509 58.357 7.587 1.00 28.12 C ATOM 378 C GLU E 54 33.384 59.591 7.766 1.00 26.91 C ATOM 379 O GLU E 54 34.617 59.511 7.638 1.00 27.77 O ATOM 380 CB GLU E 54 33.295 57.109 7.994 1.00 27.18 C ATOM 381 CG GLU E 54 32.561 55.793 7.888 1.00 29.24 C ATOM 382 CD GLU E 54 33.353 54.626 8.475 1.00 32.94 C ATOM 383 OE1 GLU E 54 34.265 54.842 9.332 1.00 32.73 O ATOM 384 OE2 GLU E 54 33.041 53.482 8.099 1.00 35.52 O ATOM 385 N THR E 55 32.767 60.719 8.070 1.00 26.07 N ATOM 386 CA THR E 55 33.481 61.992 8.010 1.00 25.27 C ATOM 387 C THR E 55 34.269 62.376 9.242 1.00 23.75 C ATOM 388 O THR E 55 34.953 63.405 9.214 1.00 23.11 O ATOM 389 CB THR E 55 32.549 63.140 7.639 1.00 26.84 C ATOM 390 OG1 THR E 55 31.608 63.343 8.704 1.00 27.03 O ATOM 391 CG2 THR E 55 31.710 62.746 6.397 1.00 27.02 C ATOM 392 N ASN E 56 34.195 61.576 10.311 1.00 22.30 N ATOM 393 CA ASN E 56 34.922 61.924 11.526 1.00 21.51 C ATOM 394 C ASN E 56 36.168 61.052 11.683 1.00 20.51 C ATOM 395 O ASN E 56 36.036 59.862 11.924 1.00 21.38 O ATOM 396 CB ASN E 56 34.009 61.727 12.746 1.00 22.26 C ATOM 397 CG ASN E 56 34.652 62.209 14.032 1.00 23.79 C ATOM 398 OD1 ASN E 56 35.802 62.692 14.051 1.00 23.59 O ATOM 399 ND2 ASN E 56 33.905 62.099 15.135 1.00 28.10 N ATOM 400 N PRO E 57 37.367 61.623 11.523 1.00 18.74 N ATOM 401 CA PRO E 57 38.590 60.797 11.649 1.00 18.40 C ATOM 402 C PRO E 57 38.892 60.408 13.102 1.00 18.09 C ATOM 403 O PRO E 57 39.754 59.538 13.302 1.00 17.54 O ATOM 404 CB PRO E 57 39.680 61.712 11.086 1.00 17.47 C ATOM 405 CG PRO E 57 39.198 63.122 11.441 1.00 18.20 C ATOM 406 CD PRO E 57 37.688 63.033 11.223 1.00 18.44 C ATOM 407 N PHE E 58 38.168 60.995 14.063 1.00 17.69 N ATOM 408 CA PHE E 58 38.412 60.752 15.490 1.00 18.22 C ATOM 409 C PHE E 58 37.491 59.677 16.074 1.00 18.62 C ATOM 410 O PHE E 58 37.462 59.472 17.288 1.00 18.71 O ATOM 411 CB PHE E 58 38.316 62.079 16.221 1.00 18.20 C ATOM 412 CG PHE E 58 39.145 63.165 15.571 1.00 21.09 C ATOM 413 CD1 PHE E 58 40.515 62.966 15.327 1.00 20.01 C ATOM 414 CD2 PHE E 58 38.553 64.351 15.157 1.00 21.63 C ATOM 415 CE1 PHE E 58 41.297 63.979 14.712 1.00 17.60 C ATOM 416 CE2 PHE E 58 39.324 65.367 14.545 1.00 20.59 C ATOM 417 CZ PHE E 58 40.714 65.165 14.331 1.00 20.99 C ATOM 418 N GLN E 59 36.754 59.012 15.187 1.00 19.83 N ATOM 419 CA GLN E 59 35.921 57.891 15.503 1.00 21.96 C ATOM 420 C GLN E 59 36.475 56.739 14.707 1.00 21.73 C ATOM 421 O GLN E 59 36.549 56.799 13.463 1.00 23.49 O ATOM 422 CB GLN E 59 34.462 58.189 15.089 1.00 22.88 C ATOM 423 CG GLN E 59 33.523 57.033 15.377 1.00 29.57 C ATOM 424 CD GLN E 59 32.086 57.381 15.052 1.00 38.65 C ATOM 425 OE1 GLN E 59 31.234 57.373 15.945 1.00 43.15 O ATOM 426 NE2 GLN E 59 31.809 57.696 13.780 1.00 42.30 N ATOM 427 N ASP E 60 36.873 55.687 15.409 1.00 17.89 N ATOM 428 CA ASP E 60 37.441 54.550 14.751 1.00 17.44 C ATOM 429 C ASP E 60 36.457 53.404 14.869 1.00 19.07 C ATOM 430 O ASP E 60 36.348 52.792 15.923 1.00 19.86 O ATOM 431 CB ASP E 60 38.818 54.211 15.392 1.00 17.00 C ATOM 432 CG ASP E 60 39.397 52.914 14.876 1.00 17.19 C ATOM 433 OD1 ASP E 60 38.900 52.324 13.864 1.00 15.42 O ATOM 434 OD2 ASP E 60 40.411 52.365 15.397 1.00 15.99 O ATOM 435 N ASN E 61 35.724 53.148 13.784 1.00 20.13 N ATOM 436 CA ASN E 61 34.669 52.116 13.800 1.00 20.38 C ATOM 437 C ASN E 61 35.180 50.712 13.502 1.00 21.17 C ATOM 438 O ASN E 61 34.399 49.740 13.459 1.00 22.56 O ATOM 439 CB ASN E 61 33.543 52.505 12.810 1.00 21.86 C ATOM 440 CG ASN E 61 32.899 53.808 13.169 1.00 24.70 C ATOM 441 OD1 ASN E 61 32.421 54.008 14.305 1.00 29.46 O ATOM 442 ND2 ASN E 61 32.889 54.731 12.210 1.00 29.27 N ATOM 443 N ASN E 62 36.480 50.576 13.242 1.00 18.77 N ATOM 444 CA ASN E 62 37.079 49.287 12.974 1.00 18.27 C ATOM 445 C ASN E 62 37.860 48.742 14.194 1.00 18.24 C ATOM 446 O ASN E 62 37.672 47.596 14.591 1.00 19.44 O ATOM 447 CB ASN E 62 38.012 49.416 11.768 1.00 18.67 C ATOM 448 CG ASN E 62 38.699 48.135 11.460 1.00 19.87 C ATOM 449 OD1 ASN E 62 39.658 47.767 12.129 1.00 20.83 O ATOM 450 ND2 ASN E 62 38.177 47.376 10.501 1.00 26.10 N ATOM 451 N SER E 63 38.701 49.614 14.770 1.00 17.18 N ATOM 452 CA SER E 63 39.652 49.353 15.906 1.00 16.28 C ATOM 453 C SER E 63 41.136 49.352 15.501 1.00 15.34 C ATOM 454 O SER E 63 42.040 49.638 16.330 1.00 16.16 O ATOM 455 CB SER E 63 39.322 48.089 16.716 1.00 17.26 C ATOM 456 OG ASER E 63 39.826 46.954 16.073 0.67 16.18 O ATOM 457 OG BSER E 63 38.069 48.246 17.377 0.33 17.32 O ATOM 458 N HIS E 64 41.378 49.102 14.239 1.00 13.13 N ATOM 459 CA HIS E 64 42.716 48.878 13.710 1.00 12.17 C ATOM 460 C HIS E 64 43.580 50.137 13.830 1.00 12.04 C ATOM 461 O HIS E 64 44.704 50.049 14.376 1.00 12.58 O ATOM 462 CB HIS E 64 42.577 48.427 12.248 1.00 12.23 C ATOM 463 CG HIS E 64 43.880 48.077 11.595 1.00 11.97 C ATOM 464 ND1 HIS E 64 44.609 49.005 10.881 1.00 14.15 N ATOM 465 CD2 HIS E 64 44.601 46.929 11.576 1.00 13.51 C ATOM 466 CE1 HIS E 64 45.713 48.432 10.427 1.00 12.62 C ATOM 467 NE2 HIS E 64 45.737 47.181 10.832 1.00 13.79 N ATOM 468 N GLY E 65 43.092 51.287 13.376 1.00 12.06 N ATOM 469 CA GLY E 65 43.911 52.511 13.430 1.00 12.50 C ATOM 470 C GLY E 65 44.255 52.905 14.861 1.00 12.36 C ATOM 471 O GLY E 65 45.330 53.476 15.101 1.00 12.26 O ATOM 472 N THR E 66 43.359 52.623 15.805 1.00 11.51 N ATOM 473 CA THR E 66 43.615 52.966 17.207 1.00 11.42 C ATOM 474 C THR E 66 44.735 52.089 17.772 1.00 11.37 C ATOM 475 O THR E 66 45.579 52.577 18.533 1.00 10.73 O ATOM 476 CB THR E 66 42.303 52.791 18.015 1.00 11.82 C ATOM 477 OG1 THR E 66 41.333 53.749 17.549 1.00 13.76 O ATOM 478 CG2 THR E 66 42.496 53.161 19.519 1.00 13.11 C ATOM 479 N HIS E 67 44.777 50.803 17.397 1.00 10.40 N ATOM 480 CA HIS E 67 45.813 49.893 17.857 1.00 9.65 C ATOM 481 C HIS E 67 47.166 50.359 17.256 1.00 9.93 C ATOM 482 O HIS E 67 48.183 50.493 17.982 1.00 10.36 O ATOM 483 CB HIS E 67 45.412 48.452 17.433 1.00 9.46 C ATOM 484 CG HIS E 67 46.245 47.404 18.080 1.00 8.83 C ATOM 485 ND1 HIS E 67 47.524 47.095 17.661 1.00 10.30 N ATOM 486 CD2 HIS E 67 46.004 46.636 19.166 1.00 10.33 C ATOM 487 CE1 HIS E 67 48.025 46.163 18.451 1.00 10.79 C ATOM 488 NE2 HIS E 67 47.117 45.864 19.372 1.00 10.26 N ATOM 489 N VAL E 68 47.190 50.560 15.937 1.00 10.40 N ATOM 490 CA VAL E 68 48.422 51.039 15.268 1.00 9.68 C ATOM 491 C VAL E 68 48.890 52.348 15.930 1.00 10.57 C ATOM 492 O VAL E 68 50.127 52.512 16.210 1.00 10.49 O ATOM 493 CB VAL E 68 48.115 51.239 13.752 1.00 10.16 C ATOM 494 CG1 VAL E 68 49.261 51.951 13.017 1.00 10.95 C ATOM 495 CG2 VAL E 68 47.789 49.867 13.054 1.00 11.96 C ATOM 496 N ALA E 69 47.968 53.288 16.176 1.00 10.78 N ATOM 497 CA ALA E 69 48.371 54.569 16.787 1.00 10.63 C ATOM 498 C ALA E 69 49.003 54.355 18.164 1.00 11.21 C ATOM 499 O ALA E 69 49.962 55.055 18.531 1.00 10.35 O ATOM 500 CB ALA E 69 47.128 55.484 16.912 1.00 10.70 C ATOM 501 N GLY E 70 48.457 53.435 18.969 1.00 8.44 N ATOM 502 CA GLY E 70 49.066 53.201 20.275 1.00 9.30 C ATOM 503 C GLY E 70 50.473 52.632 20.234 1.00 9.40 C ATOM 504 O GLY E 70 51.268 52.887 21.150 1.00 10.23 O ATOM 505 N THR E 71 50.804 51.836 19.209 1.00 10.13 N ATOM 506 CA THR E 71 52.178 51.369 19.101 1.00 9.51 C ATOM 507 C THR E 71 53.090 52.558 18.752 1.00 9.33 C ATOM 508 O THR E 71 54.201 52.661 19.288 1.00 9.27 O ATOM 509 CB THR E 71 52.263 50.271 18.030 1.00 9.63 C ATOM 510 OG1 THR E 71 51.505 49.135 18.506 1.00 11.27 O ATOM 511 CG2 THR E 71 53.700 49.780 17.862 1.00 9.51 C ATOM 512 N VAL E 72 52.631 53.437 17.854 1.00 9.75 N ATOM 513 CA VAL E 72 53.423 54.655 17.549 1.00 9.08 C ATOM 514 C VAL E 72 53.652 55.519 18.789 1.00 10.26 C ATOM 515 O VAL E 72 54.792 55.988 19.040 1.00 10.67 O ATOM 516 CB VAL E 72 52.735 55.502 16.475 1.00 9.01 C ATOM 517 CG1 VAL E 72 53.619 56.760 16.183 1.00 10.53 C ATOM 518 CG2 VAL E 72 52.548 54.695 15.184 1.00 10.94 C ATOM 519 N ALA E 73 52.555 55.796 19.502 1.00 10.79 N ATOM 520 CA ALA E 73 52.538 56.980 20.378 1.00 10.82 C ATOM 521 C ALA E 73 51.667 56.882 21.606 1.00 10.13 C ATOM 522 O ALA E 73 51.332 57.927 22.187 1.00 10.34 O ATOM 523 CB ALA E 73 52.164 58.222 19.580 1.00 11.91 C ATOM 524 N ALA E 74 51.373 55.670 22.113 1.00 9.44 N ATOM 525 CA ALA E 74 50.637 55.664 23.385 1.00 10.51 C ATOM 526 C ALA E 74 51.366 56.484 24.457 1.00 10.75 C ATOM 527 O ALA E 74 52.612 56.435 24.550 1.00 10.22 O ATOM 528 CB ALA E 74 50.313 54.196 23.886 1.00 8.50 C ATOM 529 N LEU E 75 50.590 57.198 25.276 1.00 9.40 N ATOM 530 CA LEU E 75 51.209 58.211 26.178 1.00 9.54 C ATOM 531 C LEU E 75 52.029 57.583 27.308 1.00 9.86 C ATOM 532 O LEU E 75 51.761 56.482 27.785 1.00 9.83 O ATOM 533 CB LEU E 75 50.107 59.082 26.796 1.00 10.00 C ATOM 534 CG LEU E 75 49.310 59.896 25.793 1.00 10.67 C ATOM 535 CD1 LEU E 75 48.126 60.517 26.575 1.00 12.17 C ATOM 536 CD2 LEU E 75 50.176 61.016 25.165 1.00 12.27 C ATOM 537 N ASN E 76 53.053 58.343 27.737 1.00 9.22 N ATOM 538 CA ASN E 76 53.859 57.972 28.909 1.00 10.34 C ATOM 539 C ASN E 76 53.264 58.532 30.175 1.00 12.06 C ATOM 540 O ASN E 76 53.237 59.768 30.412 1.00 12.86 O ATOM 541 CB ASN E 76 55.286 58.550 28.714 1.00 10.88 C ATOM 542 CG ASN E 76 56.208 58.157 29.832 1.00 13.98 C ATOM 543 OD1 ASN E 76 56.029 57.120 30.465 1.00 11.89 O ATOM 544 ND2 ASN E 76 57.253 58.986 30.069 1.00 15.12 N ATOM 545 N ASN E 77 52.637 57.640 30.934 1.00 11.24 N ATOM 546 CA ASN E 77 51.866 58.046 32.102 1.00 10.84 C ATOM 547 C ASN E 77 51.757 56.824 33.010 1.00 11.41 C ATOM 548 O ASN E 77 52.607 55.942 32.952 1.00 10.47 O ATOM 549 CB ASN E 77 50.499 58.622 31.670 1.00 11.57 C ATOM 550 CG ASN E 77 49.732 57.664 30.768 1.00 9.92 C ATOM 551 OD1 ASN E 77 50.025 56.462 30.754 1.00 10.75 O ATOM 552 ND2 ASN E 77 48.737 58.197 30.008 1.00 11.69 N ATOM 553 N SER E 78 50.751 56.778 33.896 1.00 10.97 N ATOM 554 CA SER E 78 50.619 55.633 34.777 1.00 11.30 C ATOM 555 C SER E 78 49.518 54.645 34.352 1.00 11.95 C ATOM 556 O SER E 78 49.028 53.847 35.168 1.00 13.35 O ATOM 557 CB SER E 78 50.450 56.081 36.247 1.00 12.31 C ATOM 558 OG SER E 78 49.193 56.807 36.369 1.00 16.48 O ATOM 559 N ILE E 79 49.131 54.702 33.076 1.00 11.60 N ATOM 560 CA ILE E 79 48.071 53.792 32.603 1.00 12.43 C ATOM 561 C ILE E 79 48.434 53.057 31.322 1.00 12.06 C ATOM 562 O ILE E 79 49.281 53.484 30.516 1.00 10.93 O ATOM 563 CB ILE E 79 46.746 54.541 32.374 1.00 13.28 C ATOM 564 CG1 ILE E 79 46.879 55.577 31.282 1.00 13.16 C ATOM 565 CG2 ILE E 79 46.263 55.169 33.692 1.00 15.59 C ATOM 566 CD1 ILE E 79 45.487 55.952 30.627 1.00 16.50 C ATOM 567 N GLY E 80 47.788 51.911 31.147 1.00 11.39 N ATOM 568 CA GLY E 80 47.807 51.258 29.835 1.00 11.57 C ATOM 569 C GLY E 80 49.187 50.877 29.362 1.00 11.71 C ATOM 570 O GLY E 80 49.986 50.343 30.129 1.00 12.63 O ATOM 571 N VAL E 81 49.407 51.101 28.082 1.00 11.36 N ATOM 572 CA VAL E 81 50.695 50.776 27.476 1.00 11.20 C ATOM 573 C VAL E 81 51.523 52.038 27.269 1.00 11.67 C ATOM 574 O VAL E 81 51.023 53.146 27.372 1.00 12.57 O ATOM 575 CB VAL E 81 50.515 50.011 26.135 1.00 11.90 C ATOM 576 CG1 VAL E 81 49.841 48.640 26.374 1.00 11.78 C ATOM 577 CG2 VAL E 81 49.646 50.822 25.114 1.00 11.41 C ATOM 578 N LEU E 82 52.809 51.858 27.012 1.00 11.41 N ATOM 579 CA LEU E 82 53.690 52.953 26.577 1.00 11.85 C ATOM 580 C LEU E 82 53.959 52.792 25.068 1.00 11.01 C ATOM 581 O LEU E 82 54.258 51.659 24.586 1.00 11.32 O ATOM 582 CB LEU E 82 55.033 52.813 27.325 1.00 10.69 C ATOM 583 CG LEU E 82 56.166 53.804 26.970 1.00 11.48 C ATOM 584 CD1 LEU E 82 55.705 55.239 27.318 1.00 11.59 C ATOM 585 CD2 LEU E 82 57.427 53.372 27.742 1.00 11.18 C ATOM 586 N GLY E 83 53.899 53.881 24.317 1.00 10.45 N ATOM 587 CA GLY E 83 54.231 53.865 22.893 1.00 10.40 C ATOM 588 C GLY E 83 55.739 53.979 22.583 1.00 9.86 C ATOM 589 O GLY E 83 56.501 54.324 23.473 1.00 10.27 O ATOM 590 N VAL E 84 56.109 53.731 21.345 1.00 8.73 N ATOM 591 CA VAL E 84 57.515 53.854 20.928 1.00 9.29 C ATOM 592 C VAL E 84 57.930 55.328 21.047 1.00 9.74 C ATOM 593 O VAL E 84 59.020 55.620 21.533 1.00 10.22 O ATOM 594 CB VAL E 84 57.705 53.336 19.500 1.00 9.30 C ATOM 595 CG1 VAL E 84 59.121 53.653 18.995 1.00 9.62 C ATOM 596 CG2 VAL E 84 57.469 51.785 19.444 1.00 11.50 C ATOM 597 N ALA E 85 57.061 56.245 20.591 1.00 10.25 N ATOM 598 CA ALA E 85 57.353 57.693 20.571 1.00 9.94 C ATOM 599 C ALA E 85 56.213 58.455 21.283 1.00 10.00 C ATOM 600 O ALA E 85 55.357 59.039 20.638 1.00 9.84 O ATOM 601 CB ALA E 85 57.490 58.148 19.060 1.00 9.00 C ATOM 602 N PRO E 86 56.189 58.371 22.607 1.00 9.56 N ATOM 603 CA PRO E 86 54.989 58.756 23.376 1.00 10.03 C ATOM 604 C PRO E 86 54.717 60.265 23.346 1.00 10.38 C ATOM 605 O PRO E 86 53.635 60.665 23.754 1.00 10.91 O ATOM 606 CB PRO E 86 55.293 58.229 24.803 1.00 10.62 C ATOM 607 CG PRO E 86 56.815 58.160 24.851 1.00 11.17 C ATOM 608 CD PRO E 86 57.248 57.742 23.459 1.00 9.42 C ATOM 609 N SER E 87 55.676 61.079 22.910 1.00 10.24 N ATOM 610 CA SER E 87 55.390 62.511 22.782 1.00 10.62 C ATOM 611 C SER E 87 55.121 62.938 21.350 1.00 11.19 C ATOM 612 O SER E 87 55.011 64.160 21.075 1.00 13.00 O ATOM 613 CB SER E 87 56.597 63.357 23.270 1.00 10.03 C ATOM 614 OG SER E 87 56.824 63.112 24.651 1.00 13.49 O ATOM 615 N ALA E 88 55.049 62.008 20.403 1.00 10.36 N ATOM 616 CA ALA E 88 54.785 62.448 19.016 1.00 11.20 C ATOM 617 C ALA E 88 53.466 63.148 18.849 1.00 11.63 C ATOM 618 O ALA E 88 52.523 62.883 19.631 1.00 12.80 O ATOM 619 CB ALA E 88 54.818 61.228 18.107 1.00 11.64 C ATOM 620 N SER E 89 53.400 64.039 17.854 1.00 11.97 N ATOM 621 CA SER E 89 52.129 64.709 17.492 1.00 12.49 C ATOM 622 C SER E 89 51.442 63.733 16.512 1.00 12.12 C ATOM 623 O SER E 89 51.927 63.526 15.369 1.00 12.65 O ATOM 624 CB SER E 89 52.413 66.049 16.810 1.00 12.79 C ATOM 625 OG SER E 89 52.991 66.960 17.773 1.00 15.13 O ATOM 626 N LEU E 90 50.326 63.169 16.969 1.00 12.72 N ATOM 627 CA LEU E 90 49.659 62.064 16.272 1.00 13.81 C ATOM 628 C LEU E 90 48.479 62.573 15.454 1.00 13.30 C ATOM 629 O LEU E 90 47.615 63.257 16.006 1.00 13.92 O ATOM 630 CB LEU E 90 49.185 61.053 17.357 1.00 15.00 C ATOM 631 CG LEU E 90 48.495 59.797 16.973 1.00 19.12 C ATOM 632 CD1 LEU E 90 49.583 58.870 16.268 1.00 18.19 C ATOM 633 CD2 LEU E 90 47.962 59.132 18.287 1.00 17.99 C ATOM 634 N TYR E 91 48.462 62.264 14.166 1.00 13.59 N ATOM 635 CA TYR E 91 47.393 62.679 13.255 1.00 13.66 C ATOM 636 C TYR E 91 46.583 61.492 12.732 1.00 14.12 C ATOM 637 O TYR E 91 47.128 60.511 12.222 1.00 13.79 O ATOM 638 CB TYR E 91 47.980 63.520 12.111 1.00 14.05 C ATOM 639 CG TYR E 91 48.542 64.830 12.651 1.00 13.86 C ATOM 640 CD1 TYR E 91 49.816 64.877 13.247 1.00 13.08 C ATOM 641 CD2 TYR E 91 47.765 65.987 12.649 1.00 16.49 C ATOM 642 CE1 TYR E 91 50.299 66.022 13.788 1.00 15.44 C ATOM 643 CE2 TYR E 91 48.255 67.168 13.210 1.00 16.31 C ATOM 644 CZ TYR E 91 49.550 67.169 13.730 1.00 16.33 C ATOM 645 OH TYR E 91 50.113 68.313 14.292 1.00 21.51 O ATOM 646 N ALA E 92 45.256 61.583 12.887 1.00 12.89 N ATOM 647 CA ALA E 92 44.381 60.555 12.393 1.00 13.52 C ATOM 648 C ALA E 92 43.967 60.888 10.953 1.00 14.21 C ATOM 649 O ALA E 92 43.145 61.797 10.737 1.00 15.44 O ATOM 650 CB ALA E 92 43.129 60.480 13.260 1.00 12.83 C ATOM 651 N VAL E 93 44.512 60.149 10.001 1.00 13.74 N ATOM 652 CA VAL E 93 44.162 60.347 8.581 1.00 15.03 C ATOM 653 C VAL E 93 43.340 59.139 8.152 1.00 14.80 C ATOM 654 O VAL E 93 43.879 58.079 7.821 1.00 13.73 O ATOM 655 CB VAL E 93 45.413 60.546 7.705 1.00 14.76 C ATOM 656 CG1 VAL E 93 45.030 60.824 6.223 1.00 16.13 C ATOM 657 CG2 VAL E 93 46.204 61.718 8.262 1.00 13.68 C ATOM 658 N LYS E 94 42.005 59.295 8.183 1.00 14.98 N ATOM 659 CA LYS E 94 41.122 58.154 8.005 1.00 16.13 C ATOM 660 C LYS E 94 40.893 57.868 6.511 1.00 16.55 C ATOM 661 O LYS E 94 40.294 58.713 5.814 1.00 17.28 O ATOM 662 CB LYS E 94 39.775 58.418 8.694 1.00 14.65 C ATOM 663 CG LYS E 94 38.899 57.139 8.568 1.00 17.56 C ATOM 664 CD LYS E 94 37.416 57.297 8.885 1.00 25.12 C ATOM 665 CE LYS E 94 37.192 57.287 10.325 1.00 27.44 C ATOM 666 NZ LYS E 94 35.739 57.029 10.719 1.00 28.87 N ATOM 667 N VAL E 95 41.373 56.725 6.035 1.00 14.87 N ATOM 668 CA VAL E 95 41.183 56.331 4.635 1.00 15.92 C ATOM 669 C VAL E 95 40.557 54.951 4.504 1.00 16.55 C ATOM 670 O VAL E 95 40.339 54.460 3.385 1.00 17.41 O ATOM 671 CB VAL E 95 42.533 56.333 3.882 1.00 16.16 C ATOM 672 CG1 VAL E 95 43.243 57.703 4.035 1.00 16.02 C ATOM 673 CG2 VAL E 95 43.433 55.135 4.363 1.00 17.08 C ATOM 674 N LEU E 96 40.317 54.291 5.640 1.00 16.89 N ATOM 675 CA LEU E 96 39.620 52.994 5.665 1.00 17.07 C ATOM 676 C LEU E 96 38.310 53.165 6.433 1.00 19.01 C ATOM 677 O LEU E 96 38.263 53.894 7.427 1.00 18.72 O ATOM 678 CB LEU E 96 40.463 51.904 6.376 1.00 16.94 C ATOM 679 CG LEU E 96 41.895 51.716 5.892 1.00 14.73 C ATOM 680 CD1 LEU E 96 42.581 50.646 6.758 1.00 16.33 C ATOM 681 CD2 LEU E 96 41.944 51.243 4.401 1.00 17.13 C ATOM 682 N GLY E 97 37.251 52.503 5.949 1.00 20.54 N ATOM 683 CA GLY E 97 35.975 52.512 6.641 1.00 22.84 C ATOM 684 C GLY E 97 35.902 51.473 7.763 1.00 24.70 C ATOM 685 O GLY E 97 36.895 50.766 8.071 1.00 25.33 O ATOM 686 N ALA E 98 34.719 51.377 8.373 1.00 25.09 N ATOM 687 CA ALA E 98 34.442 50.409 9.440 1.00 25.37 C ATOM 688 C ALA E 98 34.870 49.001 9.054 1.00 25.52 C ATOM 689 O ALA E 98 35.350 48.234 9.905 1.00 25.73 O ATOM 690 CB ALA E 98 32.942 50.430 9.799 1.00 25.05 C ATOM 691 N ASP E 99 34.689 48.633 7.786 1.00 25.48 N ATOM 692 CA ASP E 99 35.091 47.293 7.353 1.00 25.83 C ATOM 693 C ASP E 99 36.598 47.063 7.085 1.00 25.30 C ATOM 694 O ASP E 99 37.007 45.967 6.682 1.00 25.32 O ATOM 695 CB ASP E 99 34.203 46.796 6.188 1.00 26.69 C ATOM 696 CG ASP E 99 34.520 47.456 4.857 1.00 30.53 C ATOM 697 OD1 ASP E 99 35.453 48.307 4.768 1.00 28.37 O ATOM 698 OD2 ASP E 99 33.864 47.151 3.823 1.00 32.35 O ATOM 699 N GLY E 100 37.428 48.078 7.356 1.00 23.43 N ATOM 700 CA GLY E 100 38.877 47.919 7.186 1.00 22.14 C ATOM 701 C GLY E 100 39.374 48.033 5.741 1.00 21.50 C ATOM 702 O GLY E 100 40.510 47.698 5.433 1.00 20.67 O ATOM 703 N SER E 101 38.516 48.503 4.833 1.00 21.40 N ATOM 704 CA SER E 101 38.930 48.654 3.441 1.00 21.34 C ATOM 705 C SER E 101 38.756 50.102 2.949 1.00 20.15 C ATOM 706 O SER E 101 37.989 50.900 3.517 1.00 19.28 O ATOM 707 CB SER E 101 38.163 47.668 2.527 1.00 22.37 C ATOM 708 OG SER E 101 36.881 48.243 2.235 1.00 25.56 O ATOM 709 N GLY E 102 39.531 50.440 1.918 1.00 18.80 N ATOM 710 CA GLY E 102 39.429 51.745 1.272 1.00 20.14 C ATOM 711 C GLY E 102 39.774 51.676 -0.199 1.00 19.19 C ATOM 712 O GLY E 102 40.510 50.804 -0.661 1.00 20.15 O ATOM 713 N GLN E 103 39.225 52.620 -0.949 1.00 20.80 N ATOM 714 CA GLN E 103 39.531 52.770 -2.365 1.00 21.54 C ATOM 715 C GLN E 103 40.897 53.422 -2.533 1.00 21.68 C ATOM 716 O GLN E 103 41.288 54.236 -1.678 1.00 21.07 O ATOM 717 CB AGLN E 103 38.448 53.627 -3.020 0.67 22.39 C ATOM 718 CB BGLN E 103 38.476 53.654 -3.033 0.33 21.98 C ATOM 719 CG AGLN E 103 37.051 52.935 -3.064 0.67 24.84 C ATOM 720 CG BGLN E 103 37.087 53.011 -3.169 0.33 23.84 C ATOM 721 CD AGLN E 103 35.962 53.815 -3.661 0.67 29.40 C ATOM 722 CD BGLN E 103 37.101 51.748 -4.008 0.33 26.52 C ATOM 723 OE1AGLN E 103 36.234 54.644 -4.521 0.67 30.82 O ATOM 724 OE1BGLN E 103 37.434 51.781 -5.199 0.33 27.34 O ATOM 725 NE2AGLN E 103 34.731 53.634 -3.205 0.67 30.92 N ATOM 726 NE2BGLN E 103 36.757 50.623 -3.385 0.33 29.18 N ATOM 727 N TYR E 104 41.588 53.109 -3.635 1.00 20.46 N ATOM 728 CA TYR E 104 42.940 53.656 -3.868 1.00 21.08 C ATOM 729 C TYR E 104 42.920 55.191 -3.792 1.00 21.19 C ATOM 730 O TYR E 104 43.840 55.815 -3.225 1.00 18.74 O ATOM 731 CB TYR E 104 43.526 53.161 -5.215 1.00 20.32 C ATOM 732 CG TYR E 104 44.309 51.849 -5.144 1.00 23.68 C ATOM 733 CD1 TYR E 104 43.685 50.680 -4.726 1.00 23.83 C ATOM 734 CD2 TYR E 104 45.651 51.762 -5.555 1.00 22.79 C ATOM 735 CE1 TYR E 104 44.369 49.466 -4.702 1.00 24.88 C ATOM 736 CE2 TYR E 104 46.347 50.562 -5.516 1.00 25.57 C ATOM 737 CZ TYR E 104 45.707 49.420 -5.091 1.00 25.46 C ATOM 738 OH TYR E 104 46.322 48.197 -5.013 1.00 32.65 O ATOM 739 N SER E 105 41.885 55.816 -4.348 1.00 21.56 N ATOM 740 CA SER E 105 41.774 57.258 -4.301 1.00 22.34 C ATOM 741 C SER E 105 41.717 57.846 -2.886 1.00 22.43 C ATOM 742 O SER E 105 42.220 58.948 -2.664 1.00 21.17 O ATOM 743 CB SER E 105 40.596 57.766 -5.154 1.00 22.87 C ATOM 744 OG SER E 105 39.342 57.537 -4.526 1.00 26.41 O ATOM 745 N TRP E 106 41.104 57.121 -1.943 1.00 21.10 N ATOM 746 CA TRP E 106 41.010 57.580 -0.547 1.00 20.71 C ATOM 747 C TRP E 106 42.400 57.558 0.095 1.00 19.49 C ATOM 748 O TRP E 106 42.774 58.525 0.783 1.00 19.36 O ATOM 749 CB TRP E 106 40.065 56.702 0.296 1.00 20.44 C ATOM 750 CG TRP E 106 38.667 56.552 -0.264 1.00 22.56 C ATOM 751 CD1 TRP E 106 38.112 57.208 -1.371 1.00 24.14 C ATOM 752 CD2 TRP E 106 37.659 55.663 0.223 1.00 22.83 C ATOM 753 NE1 TRP E 106 36.821 56.766 -1.556 1.00 24.24 N ATOM 754 CE2 TRP E 106 36.521 55.817 -0.607 1.00 23.17 C ATOM 755 CE3 TRP E 106 37.584 54.776 1.315 1.00 22.63 C ATOM 756 CZ2 TRP E 106 35.326 55.100 -0.392 1.00 24.14 C ATOM 757 CZ3 TRP E 106 36.423 54.045 1.522 1.00 25.00 C ATOM 758 CH2 TRP E 106 35.290 54.220 0.663 1.00 25.92 C ATOM 759 N ILE E 107 43.149 56.476 -0.150 1.00 19.19 N ATOM 760 CA ILE E 107 44.533 56.354 0.383 1.00 16.91 C ATOM 761 C ILE E 107 45.380 57.512 -0.199 1.00 18.40 C ATOM 762 O ILE E 107 46.118 58.203 0.534 1.00 17.44 O ATOM 763 CB ILE E 107 45.156 54.976 0.082 1.00 18.27 C ATOM 764 CG1 ILE E 107 44.649 53.903 1.094 1.00 18.07 C ATOM 765 CG2 ILE E 107 46.654 55.018 0.238 1.00 17.94 C ATOM 766 CD1 ILE E 107 43.133 53.582 1.058 1.00 22.35 C ATOM 767 N ILE E 108 45.257 57.742 -1.508 1.00 16.99 N ATOM 768 CA ILE E 108 46.041 58.810 -2.152 1.00 17.55 C ATOM 769 C ILE E 108 45.676 60.183 -1.594 1.00 16.91 C ATOM 770 O ILE E 108 46.576 61.002 -1.304 1.00 18.26 O ATOM 771 CB ILE E 108 45.855 58.736 -3.713 1.00 17.64 C ATOM 772 CG1 ILE E 108 46.599 57.512 -4.235 1.00 16.64 C ATOM 773 CG2 ILE E 108 46.369 60.040 -4.406 1.00 18.34 C ATOM 774 CD1 ILE E 108 46.126 57.033 -5.670 1.00 20.59 C ATOM 775 N ASN E 109 44.389 60.434 -1.403 1.00 17.23 N ATOM 776 CA ASN E 109 43.935 61.681 -0.796 1.00 17.77 C ATOM 777 C ASN E 109 44.529 61.902 0.637 1.00 17.73 C ATOM 778 O ASN E 109 44.881 63.023 1.010 1.00 18.54 O ATOM 779 CB ASN E 109 42.414 61.770 -0.758 1.00 18.79 C ATOM 780 CG ASN E 109 41.821 62.129 -2.119 1.00 22.69 C ATOM 781 OD1 ASN E 109 42.526 62.602 -3.006 1.00 26.13 O ATOM 782 ND2 ASN E 109 40.530 61.892 -2.277 1.00 23.39 N ATOM 783 N GLY E 110 44.617 60.808 1.401 1.00 17.44 N ATOM 784 CA GLY E 110 45.244 60.852 2.724 1.00 15.00 C ATOM 785 C GLY E 110 46.727 61.176 2.634 1.00 15.27 C ATOM 786 O GLY E 110 47.232 61.986 3.457 1.00 15.16 O ATOM 787 N ILE E 111 47.438 60.538 1.694 1.00 15.02 N ATOM 788 CA ILE E 111 48.877 60.838 1.550 1.00 15.03 C ATOM 789 C ILE E 111 49.027 62.320 1.167 1.00 16.36 C ATOM 790 O ILE E 111 49.891 63.019 1.701 1.00 14.63 O ATOM 791 CB ILE E 111 49.503 59.950 0.484 1.00 15.80 C ATOM 792 CG1 ILE E 111 49.510 58.494 0.984 1.00 14.62 C ATOM 793 CG2 ILE E 111 50.955 60.461 0.103 1.00 15.20 C ATOM 794 CD1 ILE E 111 49.743 57.460 -0.185 1.00 15.36 C ATOM 795 N GLU E 112 48.200 62.789 0.228 1.00 16.53 N ATOM 796 CA GLU E 112 48.251 64.221 -0.144 1.00 16.53 C ATOM 797 C GLU E 112 47.986 65.182 1.008 1.00 16.19 C ATOM 798 O GLU E 112 48.657 66.214 1.127 1.00 16.85 O ATOM 799 CB GLU E 112 47.259 64.484 -1.319 1.00 17.83 C ATOM 800 CG GLU E 112 47.710 63.769 -2.603 1.00 19.79 C ATOM 801 CD GLU E 112 48.766 64.507 -3.412 1.00 26.39 C ATOM 802 OE1 GLU E 112 49.393 65.480 -2.923 1.00 27.39 O ATOM 803 OE2 GLU E 112 48.959 64.104 -4.575 1.00 33.06 O ATOM 804 N TRP E 113 47.030 64.852 1.868 1.00 15.90 N ATOM 805 CA TRP E 113 46.742 65.648 3.054 1.00 15.47 C ATOM 806 C TRP E 113 47.974 65.674 3.941 1.00 15.69 C ATOM 807 O TRP E 113 48.356 66.714 4.457 1.00 15.65 O ATOM 808 CB TRP E 113 45.550 65.075 3.830 1.00 15.57 C ATOM 809 CG TRP E 113 45.155 65.913 5.020 1.00 16.95 C ATOM 810 CD1 TRP E 113 44.171 66.877 5.071 1.00 19.30 C ATOM 811 CD2 TRP E 113 45.718 65.865 6.356 1.00 17.65 C ATOM 812 NE1 TRP E 113 44.117 67.442 6.321 1.00 19.88 N ATOM 813 CE2 TRP E 113 45.049 66.843 7.132 1.00 19.38 C ATOM 814 CE3 TRP E 113 46.765 65.138 6.957 1.00 18.41 C ATOM 815 CZ2 TRP E 113 45.360 67.080 8.493 1.00 20.39 C ATOM 816 CZ3 TRP E 113 47.059 65.376 8.336 1.00 17.54 C ATOM 817 CH2 TRP E 113 46.376 66.342 9.053 1.00 18.28 C ATOM 818 N ALA E 114 48.600 64.513 4.102 1.00 15.37 N ATOM 819 CA ALA E 114 49.786 64.455 4.954 1.00 15.30 C ATOM 820 C ALA E 114 50.901 65.370 4.448 1.00 15.40 C ATOM 821 O ALA E 114 51.577 66.058 5.233 1.00 15.54 O ATOM 822 CB ALA E 114 50.254 63.004 5.095 1.00 14.76 C ATOM 823 N ILE E 115 51.117 65.356 3.130 1.00 15.32 N ATOM 824 CA ILE E 115 52.140 66.230 2.534 1.00 16.99 C ATOM 825 C ILE E 115 51.758 67.710 2.777 1.00 16.91 C ATOM 826 O ILE E 115 52.581 68.506 3.226 1.00 17.68 O ATOM 827 CB ILE E 115 52.261 65.946 1.025 1.00 16.33 C ATOM 828 CG1 ILE E 115 52.808 64.549 0.744 1.00 18.94 C ATOM 829 CG2 ILE E 115 53.234 66.941 0.385 1.00 18.08 C ATOM 830 CD1 ILE E 115 52.670 64.117 -0.752 1.00 17.06 C ATOM 831 N ALA E 116 50.504 68.069 2.497 1.00 17.04 N ATOM 832 CA ALA E 116 50.070 69.481 2.616 1.00 18.64 C ATOM 833 C ALA E 116 50.099 70.003 4.054 1.00 18.70 C ATOM 834 O ALA E 116 50.206 71.229 4.300 1.00 19.05 O ATOM 835 CB ALA E 116 48.667 69.638 2.061 1.00 18.88 C ATOM 836 N ASN E 117 49.985 69.078 5.009 1.00 17.42 N ATOM 837 CA ASN E 117 50.029 69.423 6.419 1.00 17.34 C ATOM 838 C ASN E 117 51.395 69.193 7.121 1.00 16.00 C ATOM 839 O ASN E 117 51.481 69.233 8.358 1.00 16.63 O ATOM 840 CB ASN E 117 48.862 68.732 7.109 1.00 17.07 C ATOM 841 CG ASN E 117 47.522 69.412 6.756 1.00 20.39 C ATOM 842 OD1 ASN E 117 47.061 70.319 7.469 1.00 23.76 O ATOM 843 ND2 ASN E 117 46.925 69.003 5.640 1.00 19.45 N ATOM 844 N ASN E 118 52.439 69.004 6.319 1.00 16.66 N ATOM 845 CA ASN E 118 53.825 68.956 6.789 1.00 17.53 C ATOM 846 C ASN E 118 54.088 67.839 7.786 1.00 16.44 C ATOM 847 O ASN E 118 54.820 68.009 8.758 1.00 16.57 O ATOM 848 CB ASN E 118 54.228 70.316 7.392 1.00 18.68 C ATOM 849 CG ASN E 118 54.113 71.440 6.362 1.00 22.73 C ATOM 850 OD1 ASN E 118 54.656 71.353 5.264 1.00 25.74 O ATOM 851 ND2 ASN E 118 53.338 72.458 6.693 1.00 28.01 N ATOM 852 N MET E 119 53.482 66.691 7.531 1.00 16.10 N ATOM 853 CA MET E 119 53.839 65.519 8.340 1.00 14.15 C ATOM 854 C MET E 119 55.286 65.145 8.149 1.00 14.05 C ATOM 855 O MET E 119 55.814 65.213 7.035 1.00 15.60 O ATOM 856 CB MET E 119 52.967 64.327 7.901 1.00 13.95 C ATOM 857 CG MET E 119 51.458 64.511 8.205 1.00 13.64 C ATOM 858 SD MET E 119 50.985 64.660 9.960 1.00 14.55 S ATOM 859 CE MET E 119 50.471 66.388 9.994 1.00 15.64 C ATOM 860 N ASP E 120 55.926 64.702 9.236 1.00 12.10 N ATOM 861 CA ASP E 120 57.301 64.191 9.191 1.00 12.20 C ATOM 862 C ASP E 120 57.397 62.711 8.868 1.00 10.84 C ATOM 863 O ASP E 120 58.374 62.263 8.249 1.00 10.61 O ATOM 864 CB ASP E 120 58.019 64.436 10.529 1.00 12.19 C ATOM 865 CG ASP E 120 58.072 65.922 10.887 1.00 14.15 C ATOM 866 OD1 ASP E 120 58.667 66.674 10.046 1.00 15.61 O ATOM 867 OD2 ASP E 120 57.463 66.390 11.889 1.00 15.44 O ATOM 868 N VAL E 121 56.338 61.985 9.270 1.00 11.33 N ATOM 869 CA VAL E 121 56.350 60.521 9.117 1.00 10.34 C ATOM 870 C VAL E 121 54.933 60.102 8.731 1.00 11.44 C ATOM 871 O VAL E 121 53.982 60.659 9.268 1.00 11.76 O ATOM 872 CB VAL E 121 56.739 59.786 10.464 1.00 9.89 C ATOM 873 CG1 VAL E 121 56.824 58.254 10.259 1.00 11.11 C ATOM 874 CG2 VAL E 121 58.106 60.303 11.018 1.00 10.52 C ATOM 875 N ILE E 122 54.837 59.183 7.775 1.00 10.30 N ATOM 876 CA ILE E 122 53.552 58.508 7.445 1.00 10.40 C ATOM 877 C ILE E 122 53.657 57.036 7.791 1.00 11.10 C ATOM 878 O ILE E 122 54.635 56.376 7.428 1.00 12.32 O ATOM 879 CB ILE E 122 53.243 58.645 5.944 1.00 11.22 C ATOM 880 CG1 ILE E 122 52.744 60.062 5.647 1.00 12.34 C ATOM 881 CG2 ILE E 122 52.191 57.561 5.501 1.00 12.82 C ATOM 882 CD1 ILE E 122 52.695 60.350 4.107 1.00 13.22 C ATOM 883 N ASN E 123 52.649 56.516 8.514 1.00 11.34 N ATOM 884 CA ASN E 123 52.594 55.043 8.661 1.00 10.90 C ATOM 885 C ASN E 123 51.374 54.526 7.879 1.00 11.62 C ATOM 886 O ASN E 123 50.274 55.039 8.069 1.00 10.95 O ATOM 887 CB ASN E 123 52.437 54.683 10.131 1.00 11.66 C ATOM 888 CG ASN E 123 52.384 53.169 10.326 1.00 11.21 C ATOM 889 OD1 ASN E 123 53.431 52.522 10.480 1.00 11.71 O ATOM 890 ND2 ASN E 123 51.161 52.595 10.319 1.00 12.00 N ATOM 891 N MET E 124 51.591 53.529 7.006 1.00 12.64 N ATOM 892 CA MET E 124 50.489 52.842 6.301 1.00 12.34 C ATOM 893 C MET E 124 50.445 51.344 6.603 1.00 11.92 C ATOM 894 O MET E 124 51.127 50.509 5.948 1.00 12.05 O ATOM 895 CB MET E 124 50.630 53.067 4.782 1.00 12.87 C ATOM 896 CG MET E 124 50.143 54.453 4.454 1.00 12.24 C ATOM 897 SD MET E 124 50.223 54.866 2.667 1.00 16.17 S ATOM 898 CE MET E 124 51.833 54.906 2.458 1.00 14.97 C ATOM 899 N SER E 125 49.635 50.998 7.612 1.00 11.53 N ATOM 900 CA SER E 125 49.511 49.578 7.975 1.00 11.51 C ATOM 901 C SER E 125 48.395 48.972 7.100 1.00 13.19 C ATOM 902 O SER E 125 47.336 48.549 7.591 1.00 13.46 O ATOM 903 CB SER E 125 49.155 49.471 9.459 1.00 11.39 C ATOM 904 OG SER E 125 50.377 49.688 10.234 1.00 11.64 O ATOM 905 N LEU E 126 48.636 49.030 5.797 1.00 14.49 N ATOM 906 CA LEU E 126 47.582 48.714 4.837 1.00 15.47 C ATOM 907 C LEU E 126 48.237 48.285 3.527 1.00 16.18 C ATOM 908 O LEU E 126 49.440 48.474 3.320 1.00 15.57 O ATOM 909 CB LEU E 126 46.588 49.906 4.673 1.00 16.33 C ATOM 910 CG LEU E 126 47.109 51.339 4.443 1.00 15.44 C ATOM 911 CD1 LEU E 126 47.673 51.475 3.010 1.00 18.96 C ATOM 912 CD2 LEU E 126 46.027 52.394 4.618 1.00 18.22 C ATOM 913 N GLY E 127 47.452 47.681 2.632 1.00 16.60 N ATOM 914 CA GLY E 127 48.029 47.376 1.332 1.00 17.99 C ATOM 915 C GLY E 127 47.126 46.527 0.443 1.00 18.85 C ATOM 916 O GLY E 127 46.004 46.207 0.803 1.00 18.42 O ATOM 917 N GLY E 128 47.651 46.228 -0.742 1.00 19.94 N ATOM 918 CA GLY E 128 46.935 45.400 -1.715 1.00 21.42 C ATOM 919 C GLY E 128 47.928 44.849 -2.707 1.00 22.81 C ATOM 920 O GLY E 128 49.065 45.309 -2.786 1.00 22.12 O ATOM 921 N PRO E 129 47.514 43.829 -3.459 1.00 23.49 N ATOM 922 CA PRO E 129 48.442 43.094 -4.338 1.00 24.57 C ATOM 923 C PRO E 129 48.830 43.794 -5.621 1.00 26.40 C ATOM 924 O PRO E 129 49.845 43.341 -6.186 1.00 28.55 O ATOM 925 CB PRO E 129 47.669 41.812 -4.671 1.00 25.16 C ATOM 926 CG PRO E 129 46.226 42.251 -4.597 1.00 22.23 C ATOM 927 CD PRO E 129 46.159 43.233 -3.411 1.00 23.99 C ATOM 928 N SER E 130 48.093 44.806 -6.073 1.00 26.95 N ATOM 929 CA SER E 130 48.459 45.527 -7.293 1.00 29.48 C ATOM 930 C SER E 130 48.836 46.964 -6.960 1.00 30.15 C ATOM 931 O SER E 130 48.364 47.509 -5.967 1.00 32.38 O ATOM 932 CB SER E 130 47.292 45.563 -8.288 1.00 29.19 C ATOM 933 OG ASER E 130 46.107 46.031 -7.671 0.50 30.16 O ATOM 934 OG BSER E 130 46.607 44.326 -8.335 0.50 28.53 O ATOM 935 N GLY E 131 49.664 47.584 -7.780 1.00 31.08 N ATOM 936 CA GLY E 131 49.889 49.001 -7.558 1.00 30.24 C ATOM 937 C GLY E 131 48.936 49.835 -8.387 1.00 29.71 C ATOM 938 O GLY E 131 47.959 49.315 -8.971 1.00 30.07 O ATOM 939 N SER E 132 49.185 51.132 -8.409 1.00 27.03 N ATOM 940 CA SER E 132 48.699 51.982 -9.483 1.00 25.27 C ATOM 941 C SER E 132 49.742 53.079 -9.680 1.00 24.81 C ATOM 942 O SER E 132 50.506 53.409 -8.756 1.00 22.39 O ATOM 943 CB SER E 132 47.315 52.545 -9.187 1.00 25.00 C ATOM 944 OG SER E 132 47.359 53.643 -8.295 1.00 24.91 O ATOM 945 N ALA E 133 49.776 53.657 -10.878 1.00 23.51 N ATOM 946 CA ALA E 133 50.672 54.780 -11.128 1.00 22.60 C ATOM 947 C ALA E 133 50.380 55.938 -10.176 1.00 21.74 C ATOM 948 O ALA E 133 51.325 56.588 -9.717 1.00 21.42 O ATOM 949 CB ALA E 133 50.539 55.253 -12.584 1.00 23.56 C ATOM 950 N ALA E 134 49.104 56.184 -9.882 1.00 20.96 N ATOM 951 CA ALA E 134 48.695 57.314 -9.044 1.00 20.88 C ATOM 952 C ALA E 134 49.168 57.057 -7.601 1.00 20.78 C ATOM 953 O ALA E 134 49.569 57.986 -6.893 1.00 21.28 O ATOM 954 CB ALA E 134 47.174 57.555 -9.077 1.00 20.83 C ATOM 955 N LEU E 135 49.100 55.801 -7.174 1.00 20.39 N ATOM 956 CA LEU E 135 49.573 55.501 -5.797 1.00 19.61 C ATOM 957 C LEU E 135 51.077 55.680 -5.703 1.00 19.98 C ATOM 958 O LEU E 135 51.593 56.255 -4.711 1.00 19.24 O ATOM 959 CB LEU E 135 49.158 54.091 -5.408 1.00 19.77 C ATOM 960 CG LEU E 135 49.571 53.617 -3.988 1.00 20.38 C ATOM 961 CD1 LEU E 135 48.905 54.522 -2.933 1.00 20.56 C ATOM 962 CD2 LEU E 135 49.235 52.118 -3.787 1.00 20.90 C ATOM 963 N LYS E 136 51.793 55.195 -6.720 1.00 19.37 N ATOM 964 CA LYS E 136 53.259 55.296 -6.738 1.00 18.60 C ATOM 965 C LYS E 136 53.619 56.761 -6.744 1.00 18.96 C ATOM 966 O LYS E 136 54.565 57.197 -6.063 1.00 18.36 O ATOM 967 CB LYS E 136 53.854 54.594 -7.972 1.00 19.78 C ATOM 968 CG LYS E 136 55.371 54.465 -7.877 1.00 19.89 C ATOM 969 CD LYS E 136 56.092 53.838 -9.059 1.00 20.14 C ATOM 970 CE LYS E 136 57.595 53.643 -8.770 1.00 22.56 C ATOM 971 NZ LYS E 136 58.420 54.936 -8.877 1.00 21.79 N ATOM 972 N ALA E 137 52.887 57.554 -7.517 1.00 19.40 N ATOM 973 CA ALA E 137 53.237 58.976 -7.579 1.00 18.52 C ATOM 974 C ALA E 137 53.033 59.683 -6.227 1.00 18.54 C ATOM 975 O ALA E 137 53.802 60.591 -5.889 1.00 18.73 O ATOM 976 CB ALA E 137 52.441 59.683 -8.693 1.00 20.30 C ATOM 977 N ALA E 138 51.997 59.281 -5.475 1.00 18.38 N ATOM 978 CA ALA E 138 51.695 59.913 -4.193 1.00 16.96 C ATOM 979 C ALA E 138 52.775 59.585 -3.176 1.00 16.99 C ATOM 980 O ALA E 138 53.283 60.496 -2.502 1.00 16.61 O ATOM 981 CB ALA E 138 50.344 59.510 -3.697 1.00 17.79 C ATOM 982 N VAL E 139 53.164 58.313 -3.085 1.00 16.68 N ATOM 983 CA VAL E 139 54.273 57.958 -2.154 1.00 16.64 C ATOM 984 C VAL E 139 55.617 58.576 -2.561 1.00 16.47 C ATOM 985 O VAL E 139 56.367 59.082 -1.719 1.00 16.52 O ATOM 986 CB VAL E 139 54.374 56.414 -1.798 1.00 15.96 C ATOM 987 CG1 VAL E 139 53.069 55.927 -1.107 1.00 16.60 C ATOM 988 CG2 VAL E 139 54.744 55.546 -3.002 1.00 17.81 C ATOM 989 N ASP E 140 55.888 58.613 -3.867 1.00 16.47 N ATOM 990 CA ASP E 140 57.112 59.208 -4.345 1.00 16.46 C ATOM 991 C ASP E 140 57.121 60.709 -4.070 1.00 16.38 C ATOM 992 O ASP E 140 58.166 61.250 -3.718 1.00 16.83 O ATOM 993 CB ASP E 140 57.202 59.009 -5.869 1.00 17.22 C ATOM 994 CG ASP E 140 57.574 57.579 -6.257 1.00 21.67 C ATOM 995 OD1 ASP E 140 57.779 56.697 -5.368 1.00 19.23 O ATOM 996 OD2 ASP E 140 57.679 57.208 -7.463 1.00 22.07 O ATOM 997 N LYS E 141 55.969 61.372 -4.227 1.00 16.10 N ATOM 998 CA LYS E 141 55.852 62.797 -3.904 1.00 17.09 C ATOM 999 C LYS E 141 56.082 63.093 -2.412 1.00 16.51 C ATOM 1000 O LYS E 141 56.764 64.055 -2.026 1.00 16.37 O ATOM 1001 CB LYS E 141 54.477 63.325 -4.347 1.00 18.10 C ATOM 1002 CG LYS E 141 54.257 64.801 -4.148 1.00 18.69 C ATOM 1003 CD LYS E 141 52.807 65.223 -4.494 1.00 21.20 C ATOM 1004 CE LYS E 141 52.539 66.691 -4.199 1.00 24.93 C ATOM 1005 NZ LYS E 141 51.160 66.981 -4.661 1.00 27.06 N ATOM 1006 N ALA E 142 55.531 62.227 -1.566 1.00 15.36 N ATOM 1007 CA ALA E 142 55.743 62.413 -0.132 1.00 14.53 C ATOM 1008 C ALA E 142 57.221 62.312 0.202 1.00 13.70 C ATOM 1009 O ALA E 142 57.764 63.105 0.998 1.00 13.44 O ATOM 1010 CB ALA E 142 54.936 61.333 0.647 1.00 14.08 C ATOM 1011 N VAL E 143 57.878 61.284 -0.321 1.00 13.25 N ATOM 1012 CA VAL E 143 59.301 61.117 -0.046 1.00 13.60 C ATOM 1013 C VAL E 143 60.133 62.256 -0.649 1.00 15.58 C ATOM 1014 O VAL E 143 61.050 62.768 0.019 1.00 15.16 O ATOM 1015 CB VAL E 143 59.805 59.729 -0.528 1.00 14.40 C ATOM 1016 CG1 VAL E 143 61.295 59.569 -0.407 1.00 14.01 C ATOM 1017 CG2 VAL E 143 59.101 58.592 0.267 1.00 14.49 C ATOM 1018 N ALA E 144 59.805 62.678 -1.881 1.00 15.06 N ATOM 1019 CA ALA E 144 60.519 63.817 -2.450 1.00 15.67 C ATOM 1020 C ALA E 144 60.364 65.077 -1.611 1.00 16.59 C ATOM 1021 O ALA E 144 61.282 65.953 -1.621 1.00 17.48 O ATOM 1022 CB ALA E 144 60.046 64.091 -3.907 1.00 14.86 C ATOM 1023 N SER E 145 59.226 65.206 -0.930 1.00 16.10 N ATOM 1024 CA SER E 145 58.918 66.375 -0.071 1.00 16.57 C ATOM 1025 C SER E 145 59.515 66.252 1.337 1.00 15.20 C ATOM 1026 O SER E 145 59.363 67.155 2.133 1.00 15.96 O ATOM 1027 CB SER E 145 57.404 66.587 0.047 1.00 16.95 C ATOM 1028 OG SER E 145 56.805 66.757 -1.246 1.00 21.39 O ATOM 1029 N GLY E 146 60.210 65.151 1.632 1.00 14.52 N ATOM 1030 CA GLY E 146 60.899 65.024 2.912 1.00 12.93 C ATOM 1031 C GLY E 146 60.267 64.098 3.955 1.00 13.48 C ATOM 1032 O GLY E 146 60.775 64.047 5.068 1.00 12.71 O ATOM 1033 N VAL E 147 59.169 63.425 3.614 1.00 12.20 N ATOM 1034 CA VAL E 147 58.436 62.579 4.580 1.00 12.18 C ATOM 1035 C VAL E 147 59.051 61.179 4.658 1.00 12.59 C ATOM 1036 O VAL E 147 59.373 60.581 3.631 1.00 12.85 O ATOM 1037 CB VAL E 147 56.934 62.448 4.128 1.00 12.04 C ATOM 1038 CG1 VAL E 147 56.145 61.671 5.263 1.00 12.74 C ATOM 1039 CG2 VAL E 147 56.264 63.834 3.902 1.00 15.10 C ATOM 1040 N VAL E 148 59.213 60.635 5.866 1.00 10.42 N ATOM 1041 CA VAL E 148 59.594 59.229 6.022 1.00 10.37 C ATOM 1042 C VAL E 148 58.301 58.419 5.863 1.00 10.31 C ATOM 1043 O VAL E 148 57.371 58.657 6.627 1.00 12.25 O ATOM 1044 CB VAL E 148 60.133 58.947 7.454 1.00 9.85 C ATOM 1045 CG1 VAL E 148 60.418 57.459 7.629 1.00 11.35 C ATOM 1046 CG2 VAL E 148 61.483 59.765 7.699 1.00 10.28 C ATOM 1047 N VAL E 149 58.267 57.498 4.892 1.00 11.43 N ATOM 1048 CA VAL E 149 57.047 56.732 4.577 1.00 11.62 C ATOM 1049 C VAL E 149 57.284 55.259 4.914 1.00 11.51 C ATOM 1050 O VAL E 149 58.203 54.619 4.370 1.00 11.62 O ATOM 1051 CB VAL E 149 56.598 56.905 3.076 1.00 11.69 C ATOM 1052 CG1 VAL E 149 55.279 56.138 2.905 1.00 12.73 C ATOM 1053 CG2 VAL E 149 56.340 58.411 2.788 1.00 14.67 C ATOM 1054 N VAL E 150 56.460 54.715 5.834 1.00 11.25 N ATOM 1055 CA VAL E 150 56.653 53.337 6.336 1.00 11.38 C ATOM 1056 C VAL E 150 55.342 52.598 6.069 1.00 11.43 C ATOM 1057 O VAL E 150 54.274 53.168 6.246 1.00 11.69 O ATOM 1058 CB VAL E 150 56.859 53.384 7.864 1.00 11.99 C ATOM 1059 CG1 VAL E 150 57.185 51.974 8.409 1.00 12.22 C ATOM 1060 CG2 VAL E 150 58.060 54.360 8.192 1.00 11.51 C ATOM 1061 N ALA E 151 55.433 51.342 5.610 1.00 11.84 N ATOM 1062 CA ALA E 151 54.205 50.553 5.395 1.00 12.37 C ATOM 1063 C ALA E 151 54.415 49.081 5.782 1.00 12.28 C ATOM 1064 O ALA E 151 55.533 48.537 5.741 1.00 12.68 O ATOM 1065 CB ALA E 151 53.800 50.617 3.911 1.00 13.16 C ATOM 1066 N ALA E 152 53.305 48.411 6.104 1.00 12.15 N ATOM 1067 CA ALA E 152 53.366 46.977 6.354 1.00 13.21 C ATOM 1068 C ALA E 152 53.769 46.235 5.056 1.00 13.31 C ATOM 1069 O ALA E 152 53.292 46.593 3.956 1.00 13.80 O ATOM 1070 CB ALA E 152 51.977 46.499 6.813 1.00 13.80 C ATOM 1071 N ALA E 153 54.570 45.189 5.189 1.00 12.89 N ATOM 1072 CA ALA E 153 54.993 44.436 3.991 1.00 13.47 C ATOM 1073 C ALA E 153 53.864 43.605 3.390 1.00 15.00 C ATOM 1074 O ALA E 153 53.882 43.390 2.174 1.00 14.94 O ATOM 1075 CB ALA E 153 56.179 43.514 4.326 1.00 15.21 C ATOM 1076 N GLY E 154 52.892 43.208 4.217 1.00 14.11 N ATOM 1077 CA GLY E 154 51.789 42.333 3.826 1.00 13.94 C ATOM 1078 C GLY E 154 51.853 41.010 4.602 1.00 14.24 C ATOM 1079 O GLY E 154 52.885 40.650 5.216 1.00 13.92 O ATOM 1080 N ASN E 155 50.723 40.283 4.559 1.00 15.65 N ATOM 1081 CA ASN E 155 50.533 39.060 5.341 1.00 15.73 C ATOM 1082 C ASN E 155 50.306 37.849 4.412 1.00 16.50 C ATOM 1083 O ASN E 155 49.513 36.949 4.741 1.00 16.82 O ATOM 1084 CB ASN E 155 49.313 39.187 6.266 1.00 15.58 C ATOM 1085 CG ASN E 155 49.468 40.302 7.325 1.00 15.65 C ATOM 1086 OD1 ASN E 155 50.588 40.696 7.669 1.00 14.61 O ATOM 1087 ND2 ASN E 155 48.358 40.721 7.885 1.00 15.57 N ATOM 1088 N GLU E 156 51.061 37.834 3.311 1.00 16.85 N ATOM 1089 CA GLU E 156 50.873 36.782 2.257 1.00 17.57 C ATOM 1090 C GLU E 156 51.783 35.588 2.472 1.00 19.62 C ATOM 1091 O GLU E 156 51.718 34.581 1.702 1.00 21.37 O ATOM 1092 CB GLU E 156 51.137 37.374 0.888 1.00 18.21 C ATOM 1093 CG GLU E 156 50.177 38.479 0.497 1.00 19.00 C ATOM 1094 CD GLU E 156 48.712 38.041 0.530 1.00 21.94 C ATOM 1095 OE1 GLU E 156 48.439 36.822 0.286 1.00 23.91 O ATOM 1096 OE2 GLU E 156 47.825 38.888 0.776 1.00 25.51 O ATOM 1097 N GLY E 157 52.662 35.644 3.456 1.00 18.58 N ATOM 1098 CA GLY E 157 53.560 34.522 3.714 1.00 20.18 C ATOM 1099 C GLY E 157 54.454 34.223 2.528 1.00 21.14 C ATOM 1100 O GLY E 157 54.796 35.122 1.779 1.00 21.54 O ATOM 1101 N THR E 158 54.810 32.950 2.343 1.00 23.00 N ATOM 1102 CA THR E 158 55.663 32.572 1.208 1.00 25.89 C ATOM 1103 C THR E 158 54.882 32.022 -0.004 1.00 27.72 C ATOM 1104 O THR E 158 53.729 31.571 0.107 1.00 28.20 O ATOM 1105 CB THR E 158 56.696 31.521 1.648 1.00 25.74 C ATOM 1106 OG1 THR E 158 56.000 30.394 2.211 1.00 27.86 O ATOM 1107 CG2 THR E 158 57.568 32.023 2.785 1.00 24.27 C ATOM 1108 N SER E 159 55.536 32.063 -1.160 1.00 30.00 N ATOM 1109 CA SER E 159 54.991 31.479 -2.383 1.00 32.14 C ATOM 1110 C SER E 159 56.188 31.098 -3.262 1.00 32.29 C ATOM 1111 O SER E 159 56.450 31.746 -4.282 1.00 32.92 O ATOM 1112 CB SER E 159 54.076 32.482 -3.064 1.00 31.97 C ATOM 1113 OG SER E 159 53.557 31.940 -4.266 1.00 36.73 O ATOM 1114 N GLY E 160 56.944 30.094 -2.807 1.00 33.16 N ATOM 1115 CA GLY E 160 58.144 29.634 -3.481 1.00 33.52 C ATOM 1116 C GLY E 160 59.210 30.701 -3.555 1.00 33.58 C ATOM 1117 O GLY E 160 59.660 31.217 -2.531 1.00 33.77 O ATOM 1118 N SER E 161 59.624 31.039 -4.771 1.00 33.02 N ATOM 1119 CA SER E 161 60.645 32.066 -4.960 1.00 32.22 C ATOM 1120 C SER E 161 60.012 33.413 -5.288 1.00 30.70 C ATOM 1121 O SER E 161 60.730 34.349 -5.546 1.00 31.46 O ATOM 1122 CB SER E 161 61.623 31.666 -6.082 1.00 33.14 C ATOM 1123 OG ASER E 161 61.043 31.846 -7.366 0.50 33.79 O ATOM 1124 OG BSER E 161 61.963 30.286 -6.000 0.50 32.65 O ATOM 1125 N SER E 162 58.680 33.513 -5.291 1.00 29.33 N ATOM 1126 CA SER E 162 58.015 34.747 -5.700 1.00 27.77 C ATOM 1127 C SER E 162 58.027 35.763 -4.562 1.00 25.51 C ATOM 1128 O SER E 162 57.827 35.400 -3.423 1.00 24.83 O ATOM 1129 CB SER E 162 56.557 34.512 -6.083 1.00 29.23 C ATOM 1130 OG SER E 162 56.462 33.762 -7.303 1.00 33.04 O ATOM 1131 N SER E 163 58.202 37.026 -4.899 1.00 24.20 N ATOM 1132 CA SER E 163 57.925 38.068 -3.904 1.00 21.85 C ATOM 1133 C SER E 163 56.417 38.103 -3.564 1.00 20.96 C ATOM 1134 O SER E 163 55.561 38.012 -4.446 1.00 21.12 O ATOM 1135 CB SER E 163 58.396 39.426 -4.398 1.00 21.17 C ATOM 1136 OG SER E 163 57.895 40.440 -3.516 1.00 21.92 O ATOM 1137 N THR E 164 56.066 38.288 -2.282 1.00 17.40 N ATOM 1138 CA THR E 164 54.680 38.478 -1.892 1.00 18.23 C ATOM 1139 C THR E 164 54.460 39.792 -1.135 1.00 17.07 C ATOM 1140 O THR E 164 53.400 40.021 -0.570 1.00 16.95 O ATOM 1141 CB THR E 164 54.204 37.331 -1.016 1.00 18.88 C ATOM 1142 OG1 THR E 164 54.960 37.329 0.207 1.00 17.98 O ATOM 1143 CG2 THR E 164 54.592 35.960 -1.681 1.00 19.94 C ATOM 1144 N VAL E 165 55.432 40.697 -1.210 1.00 17.23 N ATOM 1145 CA VAL E 165 55.241 42.045 -0.647 1.00 17.07 C ATOM 1146 C VAL E 165 54.158 42.824 -1.415 1.00 17.26 C ATOM 1147 O VAL E 165 54.170 42.858 -2.681 1.00 18.42 O ATOM 1148 CB VAL E 165 56.610 42.828 -0.651 1.00 16.32 C ATOM 1149 CG1 VAL E 165 56.413 44.314 -0.153 1.00 16.21 C ATOM 1150 CG2 VAL E 165 57.667 42.056 0.126 1.00 16.43 C ATOM 1151 N GLY E 166 53.172 43.393 -0.717 1.00 16.43 N ATOM 1152 CA GLY E 166 52.143 44.169 -1.380 1.00 16.85 C ATOM 1153 C GLY E 166 52.487 45.646 -1.489 1.00 16.70 C ATOM 1154 O GLY E 166 53.576 46.060 -1.032 1.00 17.32 O ATOM 1155 N TYR E 167 51.560 46.396 -2.077 1.00 16.40 N ATOM 1156 CA TYR E 167 51.711 47.845 -2.316 1.00 17.04 C ATOM 1157 C TYR E 167 50.921 48.581 -1.227 1.00 16.67 C ATOM 1158 O TYR E 167 49.842 48.120 -0.854 1.00 16.60 O ATOM 1159 CB TYR E 167 51.126 48.193 -3.679 1.00 16.96 C ATOM 1160 CG TYR E 167 51.914 47.605 -4.829 1.00 18.30 C ATOM 1161 CD1 TYR E 167 52.998 48.286 -5.374 1.00 21.42 C ATOM 1162 CD2 TYR E 167 51.559 46.362 -5.382 1.00 22.51 C ATOM 1163 CE1 TYR E 167 53.734 47.757 -6.439 1.00 22.61 C ATOM 1164 CE2 TYR E 167 52.294 45.830 -6.462 1.00 21.67 C ATOM 1165 CZ TYR E 167 53.369 46.530 -6.968 1.00 25.16 C ATOM 1166 OH TYR E 167 54.085 45.991 -8.018 1.00 27.93 O ATOM 1167 N PRO E 168 51.368 49.743 -0.734 1.00 15.65 N ATOM 1168 CA PRO E 168 52.535 50.490 -1.245 1.00 15.86 C ATOM 1169 C PRO E 168 53.937 50.074 -0.741 1.00 15.12 C ATOM 1170 O PRO E 168 54.978 50.633 -1.187 1.00 14.76 O ATOM 1171 CB PRO E 168 52.195 51.942 -0.834 1.00 15.90 C ATOM 1172 CG PRO E 168 51.454 51.791 0.489 1.00 15.36 C ATOM 1173 CD PRO E 168 50.584 50.519 0.247 1.00 16.33 C ATOM 1174 N GLY E 169 54.024 49.095 0.164 1.00 14.18 N ATOM 1175 CA GLY E 169 55.304 48.642 0.663 1.00 14.70 C ATOM 1176 C GLY E 169 56.293 48.260 -0.419 1.00 15.43 C ATOM 1177 O GLY E 169 57.482 48.516 -0.261 1.00 15.25 O ATOM 1178 N LYS E 170 55.785 47.699 -1.528 1.00 15.31 N ATOM 1179 CA LYS E 170 56.657 47.194 -2.586 1.00 16.56 C ATOM 1180 C LYS E 170 57.343 48.313 -3.404 1.00 16.50 C ATOM 1181 O LYS E 170 58.352 48.034 -4.049 1.00 17.70 O ATOM 1182 CB LYS E 170 55.845 46.246 -3.510 1.00 16.59 C ATOM 1183 CG LYS E 170 56.687 45.355 -4.381 1.00 21.76 C ATOM 1184 CD LYS E 170 55.760 44.489 -5.251 1.00 23.36 C ATOM 1185 CE LYS E 170 56.592 43.546 -6.107 1.00 28.85 C ATOM 1186 NZ LYS E 170 55.720 42.539 -6.821 1.00 29.81 N ATOM 1187 N TYR E 171 56.832 49.547 -3.334 1.00 15.69 N ATOM 1188 CA TYR E 171 57.532 50.677 -4.004 1.00 16.22 C ATOM 1189 C TYR E 171 58.879 50.970 -3.352 1.00 16.89 C ATOM 1190 O TYR E 171 58.998 51.030 -2.107 1.00 16.01 O ATOM 1191 CB TYR E 171 56.650 51.923 -4.007 1.00 16.38 C ATOM 1192 CG TYR E 171 55.424 51.753 -4.819 1.00 16.80 C ATOM 1193 CD1 TYR E 171 55.504 51.302 -6.155 1.00 18.00 C ATOM 1194 CD2 TYR E 171 54.166 52.038 -4.288 1.00 17.36 C ATOM 1195 CE1 TYR E 171 54.342 51.133 -6.898 1.00 20.00 C ATOM 1196 CE2 TYR E 171 52.978 51.879 -5.050 1.00 20.37 C ATOM 1197 CZ TYR E 171 53.101 51.430 -6.357 1.00 21.60 C ATOM 1198 OH TYR E 171 51.934 51.265 -7.109 1.00 25.06 O ATOM 1199 N PRO E 172 59.935 51.183 -4.144 1.00 15.34 N ATOM 1200 CA PRO E 172 61.255 51.523 -3.590 1.00 15.69 C ATOM 1201 C PRO E 172 61.289 52.706 -2.605 1.00 14.99 C ATOM 1202 O PRO E 172 62.074 52.666 -1.666 1.00 15.10 O ATOM 1203 CB PRO E 172 62.095 51.832 -4.852 1.00 17.09 C ATOM 1204 CG PRO E 172 61.447 50.954 -5.912 1.00 19.78 C ATOM 1205 CD PRO E 172 59.962 51.021 -5.625 1.00 16.96 C ATOM 1206 N SER E 173 60.398 53.671 -2.787 1.00 14.93 N ATOM 1207 CA SER E 173 60.452 54.884 -1.942 1.00 14.62 C ATOM 1208 C SER E 173 59.907 54.651 -0.536 1.00 14.58 C ATOM 1209 O SER E 173 60.122 55.498 0.330 1.00 13.44 O ATOM 1210 CB SER E 173 59.751 56.050 -2.610 1.00 15.06 C ATOM 1211 OG SER E 173 58.344 55.795 -2.756 1.00 17.36 O ATOM 1212 N VAL E 174 59.233 53.503 -0.353 1.00 13.30 N ATOM 1213 CA VAL E 174 58.516 53.169 0.914 1.00 12.50 C ATOM 1214 C VAL E 174 59.342 52.136 1.662 1.00 12.99 C ATOM 1215 O VAL E 174 59.870 51.172 1.061 1.00 14.43 O ATOM 1216 CB VAL E 174 57.084 52.619 0.604 1.00 12.90 C ATOM 1217 CG1 VAL E 174 56.344 52.218 1.869 1.00 14.06 C ATOM 1218 CG2 VAL E 174 56.261 53.671 -0.105 1.00 13.53 C ATOM 1219 N ILE E 175 59.430 52.276 2.986 1.00 12.77 N ATOM 1220 CA ILE E 175 60.085 51.265 3.810 1.00 12.57 C ATOM 1221 C ILE E 175 59.083 50.141 4.132 1.00 12.57 C ATOM 1222 O ILE E 175 58.093 50.374 4.840 1.00 12.39 O ATOM 1223 CB ILE E 175 60.557 51.923 5.148 1.00 11.83 C ATOM 1224 CG1 ILE E 175 61.588 53.037 4.878 1.00 14.81 C ATOM 1225 CG2 ILE E 175 61.121 50.869 6.118 1.00 13.22 C ATOM 1226 CD1 ILE E 175 61.710 53.993 6.066 1.00 13.51 C ATOM 1227 N ALA E 176 59.296 48.945 3.556 1.00 12.42 N ATOM 1228 CA ALA E 176 58.389 47.810 3.834 1.00 12.95 C ATOM 1229 C ALA E 176 58.857 46.986 5.028 1.00 11.67 C ATOM 1230 O ALA E 176 60.028 46.563 5.142 1.00 12.48 O ATOM 1231 CB ALA E 176 58.315 46.860 2.568 1.00 12.31 C ATOM 1232 N VAL E 177 57.909 46.783 5.952 1.00 11.97 N ATOM 1233 CA VAL E 177 58.253 46.210 7.268 1.00 11.02 C ATOM 1234 C VAL E 177 57.561 44.851 7.468 1.00 11.17 C ATOM 1235 O VAL E 177 56.341 44.764 7.394 1.00 13.20 O ATOM 1236 CB VAL E 177 57.767 47.134 8.403 1.00 11.10 C ATOM 1237 CG1 VAL E 177 58.172 46.564 9.773 1.00 10.60 C ATOM 1238 CG2 VAL E 177 58.377 48.556 8.180 1.00 11.80 C ATOM 1239 N GLY E 178 58.391 43.844 7.706 1.00 11.05 N ATOM 1240 CA GLY E 178 57.875 42.501 8.024 1.00 12.79 C ATOM 1241 C GLY E 178 57.815 42.262 9.530 1.00 13.95 C ATOM 1242 O GLY E 178 58.261 43.100 10.338 1.00 12.11 O ATOM 1243 N ALA E 179 57.190 41.141 9.921 1.00 13.34 N ATOM 1244 CA ALA E 179 56.875 40.845 11.318 1.00 13.00 C ATOM 1245 C ALA E 179 57.703 39.708 11.886 1.00 14.31 C ATOM 1246 O ALA E 179 57.778 38.619 11.282 1.00 13.85 O ATOM 1247 CB ALA E 179 55.403 40.508 11.495 1.00 13.45 C ATOM 1248 N VAL E 180 58.282 39.946 13.058 1.00 13.59 N ATOM 1249 CA VAL E 180 58.893 38.881 13.855 1.00 13.42 C ATOM 1250 C VAL E 180 58.178 38.747 15.219 1.00 14.31 C ATOM 1251 O VAL E 180 57.396 39.623 15.607 1.00 14.66 O ATOM 1252 CB VAL E 180 60.402 39.081 14.124 1.00 13.73 C ATOM 1253 CG1 VAL E 180 61.209 38.943 12.809 1.00 13.77 C ATOM 1254 CG2 VAL E 180 60.697 40.475 14.843 1.00 14.00 C ATOM 1255 N ASP E 181 58.459 37.634 15.941 1.00 15.56 N ATOM 1256 CA ASP E 181 57.924 37.485 17.278 1.00 15.85 C ATOM 1257 C ASP E 181 59.001 37.838 18.301 1.00 16.13 C ATOM 1258 O ASP E 181 60.059 38.384 17.947 1.00 16.06 O ATOM 1259 CB ASP E 181 57.344 36.048 17.478 1.00 17.41 C ATOM 1260 CG ASP E 181 58.389 34.966 17.346 1.00 19.15 C ATOM 1261 OD1 ASP E 181 59.608 35.238 17.427 1.00 16.88 O ATOM 1262 OD2 ASP E 181 58.052 33.749 17.168 1.00 20.78 O ATOM 1263 N SER E 182 58.750 37.547 19.575 1.00 16.07 N ATOM 1264 CA SER E 182 59.651 37.959 20.634 1.00 17.38 C ATOM 1265 C SER E 182 60.979 37.197 20.645 1.00 17.87 C ATOM 1266 O SER E 182 61.917 37.586 21.357 1.00 18.62 O ATOM 1267 CB SER E 182 58.925 37.828 21.984 1.00 18.94 C ATOM 1268 OG SER E 182 58.716 36.438 22.306 1.00 21.93 O ATOM 1269 N SER E 183 61.060 36.100 19.868 1.00 17.92 N ATOM 1270 CA SER E 183 62.309 35.355 19.697 1.00 18.42 C ATOM 1271 C SER E 183 63.066 35.729 18.426 1.00 18.16 C ATOM 1272 O SER E 183 64.072 35.065 18.030 1.00 19.07 O ATOM 1273 CB SER E 183 62.018 33.835 19.680 1.00 18.79 C ATOM 1274 OG ASER E 183 61.355 33.460 20.881 0.67 20.23 O ATOM 1275 OG BSER E 183 61.400 33.457 18.472 0.33 20.29 O ATOM 1276 N ASN E 184 62.581 36.777 17.752 1.00 17.07 N ATOM 1277 CA ASN E 184 63.137 37.219 16.474 1.00 17.85 C ATOM 1278 C ASN E 184 62.887 36.254 15.330 1.00 18.44 C ATOM 1279 O ASN E 184 63.503 36.363 14.277 1.00 18.73 O ATOM 1280 CB ASN E 184 64.638 37.543 16.578 1.00 17.91 C ATOM 1281 CG ASN E 184 64.895 38.882 17.261 1.00 20.22 C ATOM 1282 OD1 ASN E 184 63.999 39.684 17.357 1.00 22.27 O ATOM 1283 ND2 ASN E 184 66.130 39.125 17.679 1.00 23.84 N ATOM 1284 N GLN E 185 61.923 35.341 15.492 1.00 17.40 N ATOM 1285 CA GLN E 185 61.568 34.490 14.363 1.00 18.86 C ATOM 1286 C GLN E 185 60.521 35.169 13.495 1.00 17.40 C ATOM 1287 O GLN E 185 59.559 35.754 14.007 1.00 17.46 O ATOM 1288 CB GLN E 185 60.981 33.160 14.867 1.00 20.66 C ATOM 1289 CG GLN E 185 61.963 32.180 15.383 1.00 28.77 C ATOM 1290 CD GLN E 185 62.710 31.523 14.215 1.00 35.87 C ATOM 1291 OE1 GLN E 185 62.088 30.950 13.295 1.00 39.15 O ATOM 1292 NE2 GLN E 185 64.029 31.682 14.206 1.00 39.10 N ATOM 1293 N ARG E 186 60.679 35.071 12.183 1.00 16.32 N ATOM 1294 CA ARG E 186 59.694 35.586 11.257 1.00 16.91 C ATOM 1295 C ARG E 186 58.327 34.954 11.502 1.00 17.19 C ATOM 1296 O ARG E 186 58.253 33.724 11.662 1.00 18.01 O ATOM 1297 CB ARG E 186 60.213 35.304 9.848 1.00 18.54 C ATOM 1298 CG ARG E 186 59.305 35.572 8.764 1.00 21.94 C ATOM 1299 CD ARG E 186 59.799 34.948 7.418 1.00 18.91 C ATOM 1300 NE ARG E 186 58.599 34.921 6.671 1.00 21.31 N ATOM 1301 CZ ARG E 186 57.781 33.886 6.547 1.00 18.79 C ATOM 1302 NH1 ARG E 186 58.080 32.668 7.017 1.00 20.96 N ATOM 1303 NH2 ARG E 186 56.672 34.065 5.878 1.00 18.74 N ATOM 1304 N ALA E 187 57.276 35.763 11.582 1.00 15.86 N ATOM 1305 CA ALA E 187 55.906 35.236 11.661 1.00 16.84 C ATOM 1306 C ALA E 187 55.554 34.490 10.365 1.00 17.42 C ATOM 1307 O ALA E 187 55.906 34.954 9.267 1.00 16.31 O ATOM 1308 CB ALA E 187 54.904 36.397 11.888 1.00 16.82 C ATOM 1309 N SER E 188 54.847 33.353 10.457 1.00 19.00 N ATOM 1310 CA SER E 188 54.610 32.595 9.210 1.00 19.77 C ATOM 1311 C SER E 188 53.809 33.366 8.149 1.00 18.51 C ATOM 1312 O SER E 188 53.930 33.102 6.947 1.00 18.75 O ATOM 1313 CB SER E 188 53.904 31.281 9.553 1.00 21.71 C ATOM 1314 OG SER E 188 52.691 31.600 10.213 1.00 26.07 O ATOM 1315 N PHE E 189 52.977 34.332 8.564 1.00 18.11 N ATOM 1316 CA PHE E 189 52.188 35.132 7.641 1.00 17.27 C ATOM 1317 C PHE E 189 52.982 36.295 6.989 1.00 15.63 C ATOM 1318 O PHE E 189 52.489 36.911 6.075 1.00 15.14 O ATOM 1319 CB PHE E 189 50.923 35.710 8.326 1.00 18.64 C ATOM 1320 CG PHE E 189 51.221 36.584 9.534 1.00 17.83 C ATOM 1321 CD1 PHE E 189 51.715 37.888 9.377 1.00 17.66 C ATOM 1322 CD2 PHE E 189 50.985 36.104 10.819 1.00 18.03 C ATOM 1323 CE1 PHE E 189 52.015 38.661 10.499 1.00 17.38 C ATOM 1324 CE2 PHE E 189 51.293 36.883 11.957 1.00 18.09 C ATOM 1325 CZ PHE E 189 51.794 38.165 11.786 1.00 18.81 C ATOM 1326 N SER E 190 54.163 36.619 7.514 1.00 15.25 N ATOM 1327 CA SER E 190 54.885 37.814 7.052 1.00 15.44 C ATOM 1328 C SER E 190 55.320 37.691 5.577 1.00 15.28 C ATOM 1329 O SER E 190 55.987 36.721 5.217 1.00 14.85 O ATOM 1330 CB SER E 190 56.079 38.061 7.978 1.00 16.55 C ATOM 1331 OG SER E 190 56.784 39.281 7.632 1.00 15.99 O ATOM 1332 N SER E 191 54.936 38.670 4.757 1.00 14.72 N ATOM 1333 CA SER E 191 55.320 38.679 3.306 1.00 15.78 C ATOM 1334 C SER E 191 56.823 38.672 3.130 1.00 16.22 C ATOM 1335 O SER E 191 57.578 39.085 4.008 1.00 17.66 O ATOM 1336 CB SER E 191 54.707 39.840 2.556 1.00 15.05 C ATOM 1337 OG SER E 191 53.321 39.655 2.292 1.00 15.00 O ATOM 1338 N VAL E 192 57.278 38.171 1.973 1.00 16.45 N ATOM 1339 CA VAL E 192 58.691 37.946 1.706 1.00 16.38 C ATOM 1340 C VAL E 192 59.064 38.474 0.321 1.00 15.86 C ATOM 1341 O VAL E 192 58.193 38.773 -0.494 1.00 15.91 O ATOM 1342 CB VAL E 192 59.093 36.460 1.789 1.00 17.74 C ATOM 1343 CG1 VAL E 192 58.841 35.908 3.223 1.00 18.13 C ATOM 1344 CG2 VAL E 192 58.317 35.664 0.705 1.00 18.32 C ATOM 1345 N GLY E 193 60.358 38.650 0.095 1.00 16.62 N ATOM 1346 CA GLY E 193 60.806 39.178 -1.194 1.00 17.08 C ATOM 1347 C GLY E 193 61.934 40.168 -1.090 1.00 19.02 C ATOM 1348 O GLY E 193 62.275 40.633 -0.003 1.00 18.65 O ATOM 1349 N PRO E 194 62.541 40.510 -2.218 1.00 19.31 N ATOM 1350 CA PRO E 194 63.683 41.422 -2.172 1.00 19.11 C ATOM 1351 C PRO E 194 63.244 42.841 -1.724 1.00 18.23 C ATOM 1352 O PRO E 194 64.119 43.605 -1.282 1.00 18.58 O ATOM 1353 CB PRO E 194 64.188 41.408 -3.616 1.00 20.63 C ATOM 1354 CG PRO E 194 63.029 41.007 -4.428 1.00 22.77 C ATOM 1355 CD PRO E 194 62.234 40.027 -3.586 1.00 19.57 C ATOM 1356 N GLU E 195 61.959 43.153 -1.780 1.00 17.35 N ATOM 1357 CA GLU E 195 61.469 44.477 -1.364 1.00 17.44 C ATOM 1358 C GLU E 195 61.268 44.568 0.145 1.00 17.90 C ATOM 1359 O GLU E 195 61.013 45.662 0.657 1.00 17.90 O ATOM 1360 CB GLU E 195 60.151 44.819 -2.068 1.00 17.60 C ATOM 1361 CG GLU E 195 60.233 44.762 -3.602 1.00 19.64 C ATOM 1362 CD GLU E 195 59.938 43.366 -4.161 1.00 22.82 C ATOM 1363 OE1 GLU E 195 59.769 42.387 -3.376 1.00 22.48 O ATOM 1364 OE2 GLU E 195 59.934 43.228 -5.423 1.00 29.70 O ATOM 1365 N LEU E 196 61.357 43.450 0.850 1.00 15.76 N ATOM 1366 CA LEU E 196 61.288 43.495 2.313 1.00 16.09 C ATOM 1367 C LEU E 196 62.499 44.257 2.839 1.00 15.72 C ATOM 1368 O LEU E 196 63.677 43.908 2.538 1.00 16.71 O ATOM 1369 CB LEU E 196 61.237 42.041 2.849 1.00 16.46 C ATOM 1370 CG LEU E 196 61.177 41.803 4.330 1.00 18.54 C ATOM 1371 CD1 LEU E 196 59.902 42.512 4.872 1.00 18.98 C ATOM 1372 CD2 LEU E 196 61.103 40.256 4.532 1.00 16.76 C ATOM 1373 N ASP E 197 62.265 45.276 3.669 1.00 13.46 N ATOM 1374 CA ASP E 197 63.367 46.118 4.064 1.00 13.82 C ATOM 1375 C ASP E 197 63.886 45.799 5.467 1.00 13.92 C ATOM 1376 O ASP E 197 65.052 45.488 5.648 1.00 14.58 O ATOM 1377 CB ASP E 197 62.958 47.581 3.952 1.00 13.99 C ATOM 1378 CG ASP E 197 64.142 48.541 4.027 1.00 17.10 C ATOM 1379 OD1 ASP E 197 65.320 48.106 3.956 1.00 17.60 O ATOM 1380 OD2 ASP E 197 63.972 49.781 4.171 1.00 19.22 O ATOM 1381 N VAL E 198 63.001 45.940 6.478 1.00 13.13 N ATOM 1382 CA VAL E 198 63.411 45.653 7.888 1.00 11.67 C ATOM 1383 C VAL E 198 62.260 44.884 8.552 1.00 10.35 C ATOM 1384 O VAL E 198 61.145 44.783 8.005 1.00 12.68 O ATOM 1385 CB VAL E 198 63.710 46.982 8.713 1.00 11.34 C ATOM 1386 CG1 VAL E 198 64.878 47.765 8.010 1.00 12.87 C ATOM 1387 CG2 VAL E 198 62.420 47.855 8.836 1.00 12.27 C ATOM 1388 N MET E 199 62.552 44.353 9.720 1.00 10.72 N ATOM 1389 CA MET E 199 61.533 43.664 10.520 1.00 11.58 C ATOM 1390 C MET E 199 61.295 44.378 11.835 1.00 11.04 C ATOM 1391 O MET E 199 62.199 45.054 12.359 1.00 10.91 O ATOM 1392 CB MET E 199 62.013 42.260 10.928 1.00 12.91 C ATOM 1393 CG MET E 199 62.442 41.359 9.738 1.00 14.70 C ATOM 1394 SD MET E 199 61.245 41.042 8.470 1.00 15.11 S ATOM 1395 CE MET E 199 60.495 39.535 9.179 1.00 14.79 C ATOM 1396 N ALA E 200 60.102 44.156 12.406 1.00 10.83 N ATOM 1397 CA ALA E 200 59.819 44.644 13.775 1.00 10.47 C ATOM 1398 C ALA E 200 58.786 43.716 14.403 1.00 10.13 C ATOM 1399 O ALA E 200 58.200 42.848 13.701 1.00 10.45 O ATOM 1400 CB ALA E 200 59.294 46.107 13.738 1.00 10.46 C ATOM 1401 N PRO E 201 58.566 43.838 15.703 1.00 9.93 N ATOM 1402 CA PRO E 201 57.640 42.900 16.380 1.00 10.59 C ATOM 1403 C PRO E 201 56.213 43.043 15.828 1.00 10.48 C ATOM 1404 O PRO E 201 55.640 44.151 15.692 1.00 11.16 O ATOM 1405 CB PRO E 201 57.683 43.345 17.843 1.00 9.98 C ATOM 1406 CG PRO E 201 59.103 43.972 17.973 1.00 11.23 C ATOM 1407 CD PRO E 201 59.271 44.737 16.656 1.00 10.74 C ATOM 1408 N GLY E 202 55.603 41.873 15.479 1.00 10.21 N ATOM 1409 CA GLY E 202 54.254 41.902 14.935 1.00 11.60 C ATOM 1410 C GLY E 202 53.396 40.724 15.406 1.00 11.14 C ATOM 1411 O GLY E 202 52.372 40.418 14.734 1.00 12.41 O ATOM 1412 N VAL E 203 53.792 40.089 16.510 1.00 12.82 N ATOM 1413 CA VAL E 203 53.048 38.921 17.031 1.00 13.43 C ATOM 1414 C VAL E 203 52.639 39.259 18.473 1.00 13.67 C ATOM 1415 O VAL E 203 53.507 39.586 19.283 1.00 13.57 O ATOM 1416 CB VAL E 203 53.919 37.665 16.987 1.00 13.61 C ATOM 1417 CG1 VAL E 203 53.113 36.453 17.575 1.00 14.55 C ATOM 1418 CG2 VAL E 203 54.313 37.326 15.565 1.00 15.21 C ATOM 1419 N SER E 204 51.330 39.175 18.759 1.00 12.87 N ATOM 1420 CA SER E 204 50.793 39.384 20.120 1.00 12.78 C ATOM 1421 C SER E 204 51.231 40.739 20.684 1.00 11.29 C ATOM 1422 O SER E 204 51.803 40.818 21.778 1.00 12.43 O ATOM 1423 CB SER E 204 51.271 38.260 21.014 1.00 14.53 C ATOM 1424 OG ASER E 204 50.765 37.032 20.493 0.67 14.53 O ATOM 1425 OG BSER E 204 50.683 38.287 22.303 0.33 15.86 O ATOM 1426 N ILE E 205 50.956 41.765 19.878 1.00 11.98 N ATOM 1427 CA ILE E 205 51.329 43.119 20.245 1.00 10.50 C ATOM 1428 C ILE E 205 50.193 43.785 20.987 1.00 10.07 C ATOM 1429 O ILE E 205 49.117 44.067 20.381 1.00 9.94 O ATOM 1430 CB ILE E 205 51.672 43.895 18.930 1.00 10.94 C ATOM 1431 CG1 ILE E 205 52.770 43.163 18.123 1.00 11.04 C ATOM 1432 CG2 ILE E 205 52.056 45.388 19.268 1.00 11.55 C ATOM 1433 CD1 ILE E 205 54.134 43.010 18.897 1.00 10.19 C ATOM 1434 N GLN E 206 50.408 44.076 22.269 1.00 10.26 N ATOM 1435 CA GLN E 206 49.423 44.818 23.073 1.00 10.18 C ATOM 1436 C GLN E 206 49.437 46.302 22.695 1.00 10.31 C ATOM 1437 O GLN E 206 50.529 46.918 22.598 1.00 10.34 O ATOM 1438 CB GLN E 206 49.801 44.695 24.554 1.00 10.78 C ATOM 1439 CG GLN E 206 49.459 43.326 25.130 1.00 12.94 C ATOM 1440 CD GLN E 206 47.917 43.075 25.275 1.00 15.14 C ATOM 1441 OE1 GLN E 206 47.109 44.018 25.227 1.00 16.78 O ATOM 1442 NE2 GLN E 206 47.534 41.806 25.497 1.00 16.72 N ATOM 1443 N SER E 207 48.241 46.868 22.487 1.00 10.14 N ATOM 1444 CA SER E 207 48.078 48.290 22.235 1.00 10.55 C ATOM 1445 C SER E 207 46.640 48.766 22.594 1.00 10.53 C ATOM 1446 O SER E 207 45.799 47.982 23.079 1.00 11.47 O ATOM 1447 CB SER E 207 48.438 48.636 20.761 1.00 9.67 C ATOM 1448 OG SER E 207 48.522 50.049 20.599 1.00 10.81 O ATOM 1449 N THR E 208 46.384 50.048 22.381 1.00 11.02 N ATOM 1450 CA THR E 208 45.069 50.709 22.638 1.00 9.55 C ATOM 1451 C THR E 208 44.020 50.252 21.647 1.00 11.08 C ATOM 1452 O THR E 208 44.297 50.080 20.468 1.00 11.86 O ATOM 1453 CB THR E 208 45.269 52.234 22.487 1.00 9.58 C ATOM 1454 OG1 THR E 208 46.085 52.516 21.329 1.00 10.63 O ATOM 1455 CG2 THR E 208 46.081 52.792 23.668 1.00 10.75 C ATOM 1456 N LEU E 209 42.793 50.045 22.150 1.00 11.98 N ATOM 1457 CA LEU E 209 41.605 49.742 21.318 1.00 12.99 C ATOM 1458 C LEU E 209 40.486 50.693 21.700 1.00 13.98 C ATOM 1459 O LEU E 209 40.460 51.211 22.829 1.00 13.72 O ATOM 1460 CB LEU E 209 41.129 48.302 21.524 1.00 12.68 C ATOM 1461 CG LEU E 209 42.067 47.217 20.954 1.00 13.14 C ATOM 1462 CD1 LEU E 209 41.716 45.771 21.424 1.00 14.64 C ATOM 1463 CD2 LEU E 209 42.166 47.297 19.417 1.00 12.60 C ATOM 1464 N PRO E 210 39.545 50.971 20.780 1.00 14.19 N ATOM 1465 CA PRO E 210 38.509 51.969 21.058 1.00 14.19 C ATOM 1466 C PRO E 210 37.638 51.655 22.300 1.00 13.98 C ATOM 1467 O PRO E 210 37.465 50.474 22.681 1.00 16.45 O ATOM 1468 CB PRO E 210 37.683 51.951 19.776 1.00 15.94 C ATOM 1469 CG PRO E 210 38.676 51.520 18.721 1.00 15.19 C ATOM 1470 CD PRO E 210 39.438 50.432 19.403 1.00 14.16 C ATOM 1471 N GLY E 211 37.129 52.725 22.904 1.00 15.82 N ATOM 1472 CA GLY E 211 36.303 52.646 24.102 1.00 15.84 C ATOM 1473 C GLY E 211 37.148 52.242 25.307 1.00 15.08 C ATOM 1474 O GLY E 211 36.724 51.437 26.174 1.00 15.48 O ATOM 1475 N ASN E 212 38.333 52.844 25.363 1.00 14.02 N ATOM 1476 CA ASN E 212 39.213 52.706 26.531 1.00 14.04 C ATOM 1477 C ASN E 212 39.530 51.235 26.833 1.00 14.34 C ATOM 1478 O ASN E 212 39.400 50.744 27.974 1.00 15.53 O ATOM 1479 CB ASN E 212 38.619 53.398 27.769 1.00 14.77 C ATOM 1480 CG ASN E 212 39.598 53.460 28.926 1.00 16.04 C ATOM 1481 OD1 ASN E 212 40.820 53.432 28.725 1.00 16.67 O ATOM 1482 ND2 ASN E 212 39.065 53.511 30.149 1.00 18.58 N ATOM 1483 N LYS E 213 39.929 50.505 25.788 1.00 12.74 N ATOM 1484 CA LYS E 213 40.330 49.109 25.942 1.00 13.11 C ATOM 1485 C LYS E 213 41.772 48.899 25.458 1.00 11.79 C ATOM 1486 O LYS E 213 42.429 49.864 24.980 1.00 12.25 O ATOM 1487 CB LYS E 213 39.383 48.193 25.155 1.00 14.90 C ATOM 1488 CG LYS E 213 37.895 48.293 25.552 1.00 16.75 C ATOM 1489 CD LYS E 213 37.690 47.781 26.963 1.00 22.27 C ATOM 1490 CE LYS E 213 36.195 47.568 27.340 1.00 25.62 C ATOM 1491 NZ ALYS E 213 36.065 46.857 28.705 0.50 18.82 N ATOM 1492 NZ BLYS E 213 35.469 48.844 27.172 0.50 21.90 N ATOM 1493 N TYR E 214 42.287 47.697 25.699 1.00 11.34 N ATOM 1494 CA TYR E 214 43.631 47.299 25.243 1.00 12.08 C ATOM 1495 C TYR E 214 43.494 45.868 24.727 1.00 11.93 C ATOM 1496 O TYR E 214 42.636 45.099 25.163 1.00 13.29 O ATOM 1497 CB TYR E 214 44.679 47.358 26.387 1.00 11.04 C ATOM 1498 CG TYR E 214 44.768 48.716 27.022 1.00 11.24 C ATOM 1499 CD1 TYR E 214 45.654 49.691 26.497 1.00 11.10 C ATOM 1500 CD2 TYR E 214 43.970 49.043 28.114 1.00 11.44 C ATOM 1501 CE1 TYR E 214 45.692 50.991 27.025 1.00 9.88 C ATOM 1502 CE2 TYR E 214 44.010 50.343 28.657 1.00 12.79 C ATOM 1503 CZ TYR E 214 44.897 51.292 28.125 1.00 11.90 C ATOM 1504 OH TYR E 214 44.931 52.520 28.682 1.00 11.67 O ATOM 1505 N GLY E 215 44.357 45.489 23.805 1.00 11.48 N ATOM 1506 CA GLY E 215 44.355 44.105 23.360 1.00 12.53 C ATOM 1507 C GLY E 215 45.543 43.763 22.463 1.00 12.47 C ATOM 1508 O GLY E 215 46.203 44.664 21.909 1.00 11.76 O ATOM 1509 N ALA E 216 45.795 42.464 22.308 1.00 11.38 N ATOM 1510 CA ALA E 216 46.933 41.912 21.530 1.00 11.95 C ATOM 1511 C ALA E 216 46.465 41.588 20.106 1.00 13.33 C ATOM 1512 O ALA E 216 45.574 40.746 19.907 1.00 13.46 O ATOM 1513 CB ALA E 216 47.472 40.663 22.197 1.00 13.38 C ATOM 1514 N TYR E 217 47.067 42.258 19.122 1.00 12.42 N ATOM 1515 CA TYR E 217 46.839 41.957 17.691 1.00 12.85 C ATOM 1516 C TYR E 217 48.127 41.429 17.038 1.00 13.16 C ATOM 1517 O TYR E 217 49.252 41.545 17.591 1.00 12.06 O ATOM 1518 CB TYR E 217 46.418 43.253 16.976 1.00 12.71 C ATOM 1519 CG TYR E 217 44.984 43.710 17.077 1.00 13.44 C ATOM 1520 CD1 TYR E 217 44.090 43.119 17.973 1.00 14.27 C ATOM 1521 CD2 TYR E 217 44.495 44.720 16.226 1.00 15.01 C ATOM 1522 CE1 TYR E 217 42.740 43.541 18.032 1.00 13.41 C ATOM 1523 CE2 TYR E 217 43.143 45.129 16.274 1.00 16.76 C ATOM 1524 CZ TYR E 217 42.282 44.531 17.177 1.00 15.92 C ATOM 1525 OH TYR E 217 40.955 44.922 17.260 1.00 19.02 O ATOM 1526 N ASN E 218 47.960 40.774 15.864 1.00 13.67 N ATOM 1527 CA ASN E 218 49.058 40.208 15.071 1.00 13.68 C ATOM 1528 C ASN E 218 48.972 40.753 13.657 1.00 12.14 C ATOM 1529 O ASN E 218 47.872 41.101 13.173 1.00 13.90 O ATOM 1530 CB ASN E 218 48.888 38.666 14.938 1.00 13.65 C ATOM 1531 CG ASN E 218 48.757 38.008 16.268 1.00 16.98 C ATOM 1532 OD1 ASN E 218 49.708 37.878 17.003 1.00 18.01 O ATOM 1533 ND2 ASN E 218 47.542 37.612 16.597 1.00 25.42 N ATOM 1534 N GLY E 219 50.145 40.972 13.024 1.00 11.89 N ATOM 1535 CA GLY E 219 50.121 41.383 11.623 1.00 12.06 C ATOM 1536 C GLY E 219 51.347 42.185 11.274 1.00 11.93 C ATOM 1537 O GLY E 219 51.999 42.753 12.183 1.00 12.11 O ATOM 1538 N THR E 220 51.629 42.297 9.969 1.00 11.28 N ATOM 1539 CA THR E 220 52.635 43.304 9.583 1.00 12.04 C ATOM 1540 C THR E 220 52.095 44.710 9.895 1.00 11.85 C ATOM 1541 O THR E 220 52.903 45.676 10.023 1.00 11.55 O ATOM 1542 CB THR E 220 53.137 43.138 8.121 1.00 10.61 C ATOM 1543 OG1 THR E 220 52.007 43.144 7.204 1.00 12.57 O ATOM 1544 CG2 THR E 220 53.947 41.822 7.992 1.00 14.13 C ATOM 1545 N SER E 221 50.774 44.866 10.021 1.00 11.28 N ATOM 1546 CA SER E 221 50.176 46.141 10.537 1.00 10.59 C ATOM 1547 C SER E 221 50.757 46.571 11.873 1.00 11.12 C ATOM 1548 O SER E 221 50.798 47.789 12.148 1.00 11.30 O ATOM 1549 CB SER E 221 48.683 46.001 10.804 1.00 10.56 C ATOM 1550 OG SER E 221 47.973 46.167 9.584 1.00 11.74 O ATOM 1551 N MET E 222 51.090 45.591 12.707 1.00 10.51 N ATOM 1552 CA MET E 222 51.611 45.872 14.063 1.00 11.64 C ATOM 1553 C MET E 222 53.105 46.142 14.019 1.00 10.91 C ATOM 1554 O MET E 222 53.655 46.874 14.876 1.00 11.23 O ATOM 1555 CB MET E 222 51.324 44.680 15.016 1.00 13.13 C ATOM 1556 CG MET E 222 49.883 44.621 15.540 1.00 11.70 C ATOM 1557 SD MET E 222 48.555 44.402 14.247 1.00 12.90 S ATOM 1558 CE MET E 222 47.897 46.007 14.197 1.00 11.60 C ATOM 1559 N ALA E 223 53.803 45.573 13.038 1.00 11.15 N ATOM 1560 CA ALA E 223 55.234 45.780 12.892 1.00 11.19 C ATOM 1561 C ALA E 223 55.547 47.198 12.354 1.00 11.31 C ATOM 1562 O ALA E 223 56.422 47.896 12.922 1.00 11.10 O ATOM 1563 CB ALA E 223 55.803 44.706 11.932 1.00 11.32 C ATOM 1564 N SER E 224 54.824 47.625 11.321 1.00 11.12 N ATOM 1565 CA SER E 224 55.041 48.971 10.685 1.00 9.56 C ATOM 1566 C SER E 224 55.118 50.136 11.723 1.00 10.42 C ATOM 1567 O SER E 224 56.107 50.891 11.672 1.00 10.32 O ATOM 1568 CB SER E 224 53.950 49.190 9.646 1.00 10.42 C ATOM 1569 OG SER E 224 54.166 50.379 8.888 1.00 11.45 O ATOM 1570 N PRO E 225 54.167 50.290 12.635 1.00 10.15 N ATOM 1571 CA PRO E 225 54.220 51.424 13.584 1.00 9.55 C ATOM 1572 C PRO E 225 55.375 51.363 14.565 1.00 9.91 C ATOM 1573 O PRO E 225 55.741 52.424 15.095 1.00 9.61 O ATOM 1574 CB PRO E 225 52.858 51.379 14.304 1.00 10.13 C ATOM 1575 CG PRO E 225 52.455 49.836 14.205 1.00 10.33 C ATOM 1576 CD PRO E 225 52.910 49.512 12.800 1.00 11.15 C ATOM 1577 N HIS E 226 56.004 50.213 14.809 1.00 9.05 N ATOM 1578 CA HIS E 226 57.259 50.259 15.569 1.00 9.88 C ATOM 1579 C HIS E 226 58.323 51.050 14.798 1.00 9.85 C ATOM 1580 O HIS E 226 59.124 51.754 15.418 1.00 9.82 O ATOM 1581 CB HIS E 226 57.805 48.821 15.823 1.00 9.14 C ATOM 1582 CG HIS E 226 57.045 48.032 16.879 1.00 9.40 C ATOM 1583 ND1 HIS E 226 55.913 47.280 16.577 1.00 10.33 N ATOM 1584 CD2 HIS E 226 57.251 47.898 18.215 1.00 10.24 C ATOM 1585 CE1 HIS E 226 55.460 46.722 17.690 1.00 10.86 C ATOM 1586 NE2 HIS E 226 56.253 47.056 18.694 1.00 11.27 N ATOM 1587 N VAL E 227 58.374 50.837 13.477 1.00 9.81 N ATOM 1588 CA VAL E 227 59.363 51.531 12.629 1.00 10.07 C ATOM 1589 C VAL E 227 58.975 53.014 12.473 1.00 10.86 C ATOM 1590 O VAL E 227 59.853 53.889 12.501 1.00 10.34 O ATOM 1591 CB VAL E 227 59.469 50.801 11.290 1.00 10.36 C ATOM 1592 CG1 VAL E 227 60.536 51.520 10.411 1.00 10.28 C ATOM 1593 CG2 VAL E 227 59.961 49.350 11.516 1.00 11.23 C ATOM 1594 N ALA E 228 57.692 53.296 12.273 1.00 10.10 N ATOM 1595 CA ALA E 228 57.255 54.720 12.187 1.00 9.85 C ATOM 1596 C ALA E 228 57.542 55.422 13.522 1.00 10.09 C ATOM 1597 O ALA E 228 58.040 56.569 13.520 1.00 9.97 O ATOM 1598 CB ALA E 228 55.768 54.831 11.855 1.00 11.12 C ATOM 1599 N GLY E 229 57.228 54.780 14.655 1.00 9.23 N ATOM 1600 CA GLY E 229 57.596 55.362 15.950 1.00 9.81 C ATOM 1601 C GLY E 229 59.108 55.530 16.099 1.00 9.70 C ATOM 1602 O GLY E 229 59.568 56.527 16.662 1.00 10.13 O ATOM 1603 N ALA E 230 59.881 54.568 15.630 1.00 9.41 N ATOM 1604 CA ALA E 230 61.366 54.673 15.727 1.00 9.33 C ATOM 1605 C ALA E 230 61.854 55.889 14.909 1.00 9.47 C ATOM 1606 O ALA E 230 62.750 56.606 15.363 1.00 9.52 O ATOM 1607 CB ALA E 230 62.030 53.377 15.223 1.00 10.64 C ATOM 1608 N ALA E 231 61.264 56.094 13.742 1.00 9.99 N ATOM 1609 CA ALA E 231 61.622 57.271 12.922 1.00 8.94 C ATOM 1610 C ALA E 231 61.314 58.560 13.702 1.00 9.79 C ATOM 1611 O ALA E 231 62.129 59.511 13.646 1.00 10.11 O ATOM 1612 CB ALA E 231 60.816 57.266 11.589 1.00 9.87 C ATOM 1613 N ALA E 232 60.167 58.612 14.420 1.00 10.11 N ATOM 1614 CA ALA E 232 59.886 59.793 15.248 1.00 9.74 C ATOM 1615 C ALA E 232 60.894 59.995 16.388 1.00 9.94 C ATOM 1616 O ALA E 232 61.274 61.140 16.689 1.00 9.89 O ATOM 1617 CB ALA E 232 58.416 59.731 15.770 1.00 10.57 C ATOM 1618 N LEU E 233 61.346 58.909 17.038 1.00 9.46 N ATOM 1619 CA LEU E 233 62.362 59.026 18.081 1.00 9.70 C ATOM 1620 C LEU E 233 63.648 59.596 17.502 1.00 9.76 C ATOM 1621 O LEU E 233 64.244 60.517 18.090 1.00 10.46 O ATOM 1622 CB LEU E 233 62.693 57.645 18.700 1.00 9.73 C ATOM 1623 CG LEU E 233 61.564 57.074 19.569 1.00 9.11 C ATOM 1624 CD1 LEU E 233 62.046 55.667 20.044 1.00 9.09 C ATOM 1625 CD2 LEU E 233 61.261 58.021 20.775 1.00 10.81 C ATOM 1626 N ILE E 234 64.076 59.026 16.368 1.00 10.11 N ATOM 1627 CA ILE E 234 65.325 59.488 15.707 1.00 9.42 C ATOM 1628 C ILE E 234 65.239 60.985 15.350 1.00 10.08 C ATOM 1629 O ILE E 234 66.217 61.711 15.617 1.00 10.49 O ATOM 1630 CB ILE E 234 65.607 58.635 14.440 1.00 8.90 C ATOM 1631 CG1 ILE E 234 65.958 57.212 14.875 1.00 9.75 C ATOM 1632 CG2 ILE E 234 66.802 59.285 13.637 1.00 11.32 C ATOM 1633 CD1 ILE E 234 65.849 56.144 13.730 1.00 10.98 C ATOM 1634 N LEU E 235 64.143 61.414 14.739 1.00 9.46 N ATOM 1635 CA LEU E 235 63.952 62.850 14.402 1.00 10.68 C ATOM 1636 C LEU E 235 63.892 63.739 15.637 1.00 12.25 C ATOM 1637 O LEU E 235 64.325 64.902 15.587 1.00 12.97 O ATOM 1638 CB LEU E 235 62.699 63.027 13.542 1.00 10.25 C ATOM 1639 CG LEU E 235 62.883 62.542 12.103 1.00 10.29 C ATOM 1640 CD1 LEU E 235 61.505 62.444 11.443 1.00 12.56 C ATOM 1641 CD2 LEU E 235 63.815 63.522 11.328 1.00 12.02 C ATOM 1642 N SER E 236 63.344 63.240 16.748 1.00 10.72 N ATOM 1643 CA SER E 236 63.376 64.042 17.973 1.00 11.23 C ATOM 1644 C SER E 236 64.790 64.262 18.513 1.00 11.14 C ATOM 1645 O SER E 236 65.036 65.328 19.137 1.00 13.48 O ATOM 1646 CB SER E 236 62.347 63.535 19.018 1.00 11.53 C ATOM 1647 OG SER E 236 62.793 62.351 19.684 1.00 11.78 O ATOM 1648 N LYS E 237 65.713 63.316 18.308 1.00 11.06 N ATOM 1649 CA LYS E 237 67.112 63.443 18.747 1.00 11.28 C ATOM 1650 C LYS E 237 67.943 64.197 17.670 1.00 12.21 C ATOM 1651 O LYS E 237 68.939 64.890 17.998 1.00 12.78 O ATOM 1652 CB LYS E 237 67.743 62.088 18.978 1.00 11.29 C ATOM 1653 CG LYS E 237 69.167 62.216 19.563 1.00 11.06 C ATOM 1654 CD LYS E 237 69.743 60.838 19.918 1.00 11.83 C ATOM 1655 CE LYS E 237 71.198 60.970 20.466 1.00 14.68 C ATOM 1656 NZ LYS E 237 71.835 59.613 20.747 1.00 16.41 N ATOM 1657 N HIS E 238 67.563 64.044 16.411 1.00 11.49 N ATOM 1658 CA HIS E 238 68.279 64.674 15.271 1.00 12.21 C ATOM 1659 C HIS E 238 67.276 65.417 14.356 1.00 11.69 C ATOM 1660 O HIS E 238 66.962 64.950 13.253 1.00 12.15 O ATOM 1661 CB HIS E 238 69.058 63.614 14.453 1.00 11.92 C ATOM 1662 CG HIS E 238 70.074 62.857 15.248 1.00 12.08 C ATOM 1663 ND1 HIS E 238 71.358 63.339 15.462 1.00 10.83 N ATOM 1664 CD2 HIS E 238 70.010 61.638 15.850 1.00 12.49 C ATOM 1665 CE1 HIS E 238 72.023 62.458 16.208 1.00 11.93 C ATOM 1666 NE2 HIS E 238 71.234 61.399 16.424 1.00 12.81 N ATOM 1667 N PRO E 239 66.710 66.535 14.816 1.00 12.94 N ATOM 1668 CA PRO E 239 65.605 67.202 14.100 1.00 14.68 C ATOM 1669 C PRO E 239 65.947 67.670 12.664 1.00 15.61 C ATOM 1670 O PRO E 239 65.027 67.868 11.857 1.00 18.38 O ATOM 1671 CB PRO E 239 65.241 68.422 15.003 1.00 16.44 C ATOM 1672 CG PRO E 239 65.880 68.165 16.305 1.00 17.74 C ATOM 1673 CD PRO E 239 67.015 67.183 16.108 1.00 13.05 C ATOM 1674 N ASN E 240 67.218 67.804 12.362 1.00 15.82 N ATOM 1675 CA ASN E 240 67.586 68.201 10.991 1.00 16.69 C ATOM 1676 C AASN E 240 67.887 67.080 10.061 0.50 15.95 C ATOM 1677 C BASN E 240 68.211 67.076 10.139 0.50 16.25 C ATOM 1678 O AASN E 240 68.126 67.347 8.866 0.50 15.45 O ATOM 1679 O BASN E 240 68.828 67.288 9.078 0.50 16.06 O ATOM 1680 CB AASN E 240 68.923 68.990 11.135 0.50 16.25 C ATOM 1681 CB BASN E 240 68.249 69.559 10.935 0.50 16.64 C ATOM 1682 CG AASN E 240 68.672 70.462 11.297 0.50 15.95 C ATOM 1683 CG BASN E 240 69.541 69.484 11.547 0.50 15.24 C ATOM 1684 OD1AASN E 240 67.575 70.890 11.024 0.50 17.22 O ATOM 1685 OD1BASN E 240 69.865 68.440 12.085 0.50 17.90 O ATOM 1686 ND2AASN E 240 69.656 71.242 11.770 0.50 9.45 N ATOM 1687 ND2BASN E 240 70.338 70.525 11.451 0.50 14.56 N ATOM 1688 N TRP E 241 67.987 65.842 10.579 1.00 14.74 N ATOM 1689 CA TRP E 241 68.184 64.695 9.678 1.00 14.65 C ATOM 1690 C TRP E 241 67.050 64.634 8.654 1.00 13.78 C ATOM 1691 O TRP E 241 65.863 64.834 8.965 1.00 13.74 O ATOM 1692 CB TRP E 241 68.232 63.356 10.443 1.00 13.63 C ATOM 1693 CG TRP E 241 69.602 63.093 11.063 1.00 12.69 C ATOM 1694 CD1 TRP E 241 70.668 63.991 11.155 1.00 14.62 C ATOM 1695 CD2 TRP E 241 70.038 61.904 11.685 1.00 12.26 C ATOM 1696 NE1 TRP E 241 71.735 63.386 11.766 1.00 14.40 N ATOM 1697 CE2 TRP E 241 71.387 62.105 12.122 1.00 12.87 C ATOM 1698 CE3 TRP E 241 69.431 60.652 11.941 1.00 12.50 C ATOM 1699 CZ2 TRP E 241 72.105 61.127 12.805 1.00 12.59 C ATOM 1700 CZ3 TRP E 241 70.164 59.670 12.613 1.00 12.03 C ATOM 1701 CH2 TRP E 241 71.492 59.914 13.059 1.00 13.25 C ATOM 1702 N THR E 242 67.424 64.345 7.411 1.00 12.82 N ATOM 1703 CA THR E 242 66.435 64.162 6.370 1.00 12.69 C ATOM 1704 C THR E 242 65.792 62.797 6.478 1.00 12.40 C ATOM 1705 O THR E 242 66.308 61.908 7.156 1.00 11.25 O ATOM 1706 CB THR E 242 67.099 64.194 4.985 1.00 14.17 C ATOM 1707 OG1 THR E 242 68.100 63.160 4.918 1.00 14.74 O ATOM 1708 CG2 THR E 242 67.894 65.513 4.841 1.00 17.45 C ATOM 1709 N ASN E 243 64.672 62.652 5.780 1.00 11.40 N ATOM 1710 CA ASN E 243 64.091 61.285 5.615 1.00 11.70 C ATOM 1711 C ASN E 243 65.107 60.282 5.070 1.00 12.78 C ATOM 1712 O ASN E 243 65.143 59.130 5.534 1.00 12.92 O ATOM 1713 CB ASN E 243 62.791 61.280 4.816 1.00 10.62 C ATOM 1714 CG ASN E 243 62.918 61.897 3.394 1.00 12.06 C ATOM 1715 OD1 ASN E 243 63.867 62.639 3.077 1.00 14.39 O ATOM 1716 ND2 ASN E 243 61.907 61.631 2.543 1.00 13.44 N ATOM 1717 N THR E 244 65.936 60.709 4.094 1.00 12.52 N ATOM 1718 CA THR E 244 66.978 59.811 3.564 1.00 13.25 C ATOM 1719 C THR E 244 67.871 59.280 4.681 1.00 13.76 C ATOM 1720 O THR E 244 68.120 58.059 4.754 1.00 13.37 O ATOM 1721 CB THR E 244 67.848 60.624 2.615 1.00 13.25 C ATOM 1722 OG1 THR E 244 67.017 61.352 1.698 1.00 13.96 O ATOM 1723 CG2 THR E 244 68.778 59.743 1.792 1.00 15.04 C ATOM 1724 N GLN E 245 68.311 60.192 5.563 1.00 13.01 N ATOM 1725 CA GLN E 245 69.179 59.832 6.678 1.00 12.83 C ATOM 1726 C GLN E 245 68.454 58.971 7.740 1.00 12.70 C ATOM 1727 O GLN E 245 69.057 58.060 8.315 1.00 13.26 O ATOM 1728 CB GLN E 245 69.668 61.122 7.305 1.00 13.72 C ATOM 1729 CG GLN E 245 70.442 60.933 8.567 1.00 19.37 C ATOM 1730 CD GLN E 245 71.719 60.055 8.450 1.00 25.11 C ATOM 1731 OE1 GLN E 245 72.206 59.557 9.484 1.00 26.06 O ATOM 1732 NE2 GLN E 245 72.236 59.831 7.222 1.00 21.27 N ATOM 1733 N VAL E 246 67.173 59.283 8.019 1.00 11.09 N ATOM 1734 CA VAL E 246 66.435 58.468 9.021 1.00 11.32 C ATOM 1735 C VAL E 246 66.297 57.052 8.462 1.00 11.30 C ATOM 1736 O VAL E 246 66.532 56.080 9.187 1.00 11.99 O ATOM 1737 CB VAL E 246 65.049 59.065 9.294 1.00 10.23 C ATOM 1738 CG1 VAL E 246 64.231 58.134 10.196 1.00 11.22 C ATOM 1739 CG2 VAL E 246 65.190 60.442 10.013 1.00 12.08 C ATOM 1740 N ARG E 247 65.975 56.934 7.179 1.00 11.81 N ATOM 1741 CA ARG E 247 65.788 55.589 6.602 1.00 11.21 C ATOM 1742 C ARG E 247 67.111 54.835 6.630 1.00 11.81 C ATOM 1743 O ARG E 247 67.201 53.656 7.036 1.00 12.14 O ATOM 1744 CB ARG E 247 65.264 55.723 5.147 1.00 12.64 C ATOM 1745 CG ARG E 247 65.218 54.378 4.402 1.00 11.54 C ATOM 1746 CD ARG E 247 64.451 54.470 3.108 1.00 12.12 C ATOM 1747 NE ARG E 247 64.397 53.133 2.509 1.00 14.29 N ATOM 1748 CZ ARG E 247 63.569 52.807 1.502 1.00 16.68 C ATOM 1749 NH1 ARG E 247 62.782 53.723 0.925 1.00 15.53 N ATOM 1750 NH2 ARG E 247 63.583 51.548 1.042 1.00 18.41 N ATOM 1751 N SER E 248 68.182 55.497 6.188 1.00 12.21 N ATOM 1752 CA SER E 248 69.469 54.792 6.219 1.00 13.51 C ATOM 1753 C SER E 248 69.884 54.431 7.648 1.00 12.61 C ATOM 1754 O SER E 248 70.460 53.358 7.862 1.00 12.39 O ATOM 1755 CB SER E 248 70.630 55.570 5.542 1.00 14.49 C ATOM 1756 OG ASER E 248 70.390 55.976 4.207 0.50 11.91 O ATOM 1757 OG BSER E 248 70.886 56.766 6.138 0.50 16.89 O ATOM 1758 N SER E 249 69.586 55.297 8.641 1.00 11.48 N ATOM 1759 CA SER E 249 69.980 54.982 10.003 1.00 11.39 C ATOM 1760 C SER E 249 69.324 53.694 10.486 1.00 12.33 C ATOM 1761 O SER E 249 69.974 52.895 11.184 1.00 12.07 O ATOM 1762 CB SER E 249 69.686 56.154 10.960 1.00 12.07 C ATOM 1763 OG ASER E 249 70.340 57.330 10.571 0.50 14.68 O ATOM 1764 OG BSER E 249 68.351 56.270 11.328 0.50 8.43 O ATOM 1765 N LEU E 250 68.055 53.542 10.140 1.00 11.74 N ATOM 1766 CA LEU E 250 67.299 52.325 10.525 1.00 11.94 C ATOM 1767 C LEU E 250 67.832 51.089 9.802 1.00 12.56 C ATOM 1768 O LEU E 250 68.028 50.024 10.429 1.00 13.31 O ATOM 1769 CB LEU E 250 65.805 52.516 10.253 1.00 12.48 C ATOM 1770 CG LEU E 250 65.115 53.434 11.306 1.00 14.03 C ATOM 1771 CD1 LEU E 250 63.828 53.986 10.766 1.00 14.18 C ATOM 1772 CD2 LEU E 250 64.981 52.697 12.692 1.00 11.82 C ATOM 1773 N GLU E 251 68.097 51.230 8.517 1.00 12.00 N ATOM 1774 CA GLU E 251 68.569 50.096 7.687 1.00 11.77 C ATOM 1775 C GLU E 251 69.969 49.651 8.080 1.00 12.08 C ATOM 1776 O GLU E 251 70.267 48.447 8.075 1.00 12.61 O ATOM 1777 CB GLU E 251 68.569 50.482 6.206 1.00 12.67 C ATOM 1778 CG GLU E 251 67.157 50.587 5.681 1.00 12.46 C ATOM 1779 CD GLU E 251 67.084 51.249 4.304 1.00 15.55 C ATOM 1780 OE1 GLU E 251 68.100 51.840 3.826 1.00 17.25 O ATOM 1781 OE2 GLU E 251 66.017 51.109 3.667 1.00 16.98 O ATOM 1782 N ASN E 252 70.829 50.600 8.444 1.00 11.49 N ATOM 1783 CA ASN E 252 72.263 50.372 8.618 1.00 11.54 C ATOM 1784 C ASN E 252 72.624 49.870 10.018 1.00 10.72 C ATOM 1785 O ASN E 252 73.812 49.576 10.299 1.00 12.49 O ATOM 1786 CB ASN E 252 73.026 51.680 8.337 1.00 11.94 C ATOM 1787 CG ASN E 252 73.006 52.068 6.862 1.00 11.74 C ATOM 1788 OD1 ASN E 252 73.545 53.176 6.510 1.00 16.57 O ATOM 1789 ND2 ASN E 252 72.375 51.286 6.024 1.00 9.94 N ATOM 1790 N THR E 253 71.609 49.806 10.904 1.00 10.93 N ATOM 1791 CA THR E 253 71.850 49.421 12.301 1.00 10.62 C ATOM 1792 C THR E 253 70.954 48.286 12.776 1.00 11.06 C ATOM 1793 O THR E 253 70.895 48.029 13.980 1.00 12.32 O ATOM 1794 CB THR E 253 71.667 50.611 13.306 1.00 10.56 C ATOM 1795 OG1 THR E 253 70.337 51.128 13.189 1.00 11.14 O ATOM 1796 CG2 THR E 253 72.584 51.792 12.906 1.00 11.67 C ATOM 1797 N THR E 254 70.275 47.606 11.869 1.00 11.05 N ATOM 1798 CA THR E 254 69.485 46.456 12.289 1.00 11.85 C ATOM 1799 C THR E 254 70.383 45.374 12.901 1.00 12.24 C ATOM 1800 O THR E 254 71.617 45.307 12.664 1.00 12.22 O ATOM 1801 CB THR E 254 68.820 45.809 11.066 1.00 12.00 C ATOM 1802 OG1 THR E 254 69.849 45.568 10.064 1.00 14.58 O ATOM 1803 CG2 THR E 254 67.749 46.682 10.402 1.00 12.32 C ATOM 1804 N THR E 255 69.754 44.497 13.683 1.00 12.08 N ATOM 1805 CA THR E 255 70.367 43.238 14.072 1.00 12.72 C ATOM 1806 C THR E 255 69.996 42.229 12.980 1.00 13.37 C ATOM 1807 O THR E 255 68.834 41.910 12.748 1.00 13.42 O ATOM 1808 CB THR E 255 69.789 42.813 15.402 1.00 12.86 C ATOM 1809 OG1 THR E 255 70.251 43.731 16.420 1.00 14.56 O ATOM 1810 CG2 THR E 255 70.336 41.401 15.804 1.00 15.41 C ATOM 1811 N LYS E 256 71.019 41.770 12.236 1.00 14.15 N ATOM 1812 CA LYS E 256 70.749 40.896 11.087 1.00 14.50 C ATOM 1813 C LYS E 256 70.210 39.527 11.594 1.00 15.12 C ATOM 1814 O LYS E 256 70.673 39.014 12.623 1.00 17.86 O ATOM 1815 CB LYS E 256 72.019 40.708 10.230 1.00 16.32 C ATOM 1816 CG LYS E 256 72.492 42.002 9.506 1.00 15.81 C ATOM 1817 CD LYS E 256 72.034 42.035 8.026 1.00 18.00 C ATOM 1818 CE LYS E 256 72.286 43.469 7.445 1.00 17.24 C ATOM 1819 NZ LYS E 256 72.611 43.538 5.957 1.00 17.30 N ATOM 1820 N LEU E 257 69.246 38.983 10.864 1.00 17.36 N ATOM 1821 CA LEU E 257 68.566 37.761 11.304 1.00 18.87 C ATOM 1822 C LEU E 257 68.875 36.750 10.195 1.00 21.84 C ATOM 1823 O LEU E 257 70.058 36.536 9.902 1.00 25.49 O ATOM 1824 CB LEU E 257 67.061 37.998 11.594 1.00 18.33 C ATOM 1825 CG LEU E 257 66.782 39.014 12.732 1.00 18.58 C ATOM 1826 CD1 LEU E 257 65.274 39.316 12.909 1.00 17.20 C ATOM 1827 CD2 LEU E 257 67.474 38.558 14.045 1.00 21.69 C ATOM 1828 N GLY E 258 67.903 36.190 9.529 1.00 23.77 N ATOM 1829 CA GLY E 258 68.233 35.262 8.447 1.00 24.47 C ATOM 1830 C GLY E 258 68.511 35.854 7.066 1.00 24.72 C ATOM 1831 O GLY E 258 68.891 37.041 6.874 1.00 25.22 O ATOM 1832 N ASP E 259 68.282 35.018 6.052 1.00 23.62 N ATOM 1833 CA ASP E 259 68.358 35.461 4.682 1.00 22.62 C ATOM 1834 C ASP E 259 67.467 36.670 4.426 1.00 20.84 C ATOM 1835 O ASP E 259 66.327 36.713 4.875 1.00 19.48 O ATOM 1836 CB ASP E 259 67.915 34.355 3.736 1.00 24.28 C ATOM 1837 CG ASP E 259 68.235 34.700 2.298 1.00 28.04 C ATOM 1838 OD1 ASP E 259 69.386 34.397 1.847 1.00 37.82 O ATOM 1839 OD2 ASP E 259 67.472 35.312 1.539 1.00 25.81 O ATOM 1840 N SER E 260 67.986 37.635 3.682 1.00 19.10 N ATOM 1841 CA SER E 260 67.227 38.847 3.386 1.00 19.94 C ATOM 1842 C SER E 260 65.887 38.680 2.654 1.00 19.34 C ATOM 1843 O SER E 260 65.010 39.529 2.744 1.00 19.64 O ATOM 1844 CB SER E 260 68.112 39.872 2.691 1.00 20.70 C ATOM 1845 OG SER E 260 68.489 39.408 1.407 1.00 23.04 O ATOM 1846 N PHE E 261 65.698 37.555 1.934 1.00 19.41 N ATOM 1847 CA PHE E 261 64.424 37.336 1.274 1.00 18.13 C ATOM 1848 C PHE E 261 63.304 37.193 2.323 1.00 16.70 C ATOM 1849 O PHE E 261 62.155 37.539 2.085 1.00 17.64 O ATOM 1850 CB PHE E 261 64.551 36.030 0.438 1.00 19.51 C ATOM 1851 CG PHE E 261 63.371 35.733 -0.408 1.00 19.65 C ATOM 1852 CD1 PHE E 261 63.269 36.260 -1.696 1.00 22.75 C ATOM 1853 CD2 PHE E 261 62.371 34.849 0.055 1.00 21.26 C ATOM 1854 CE1 PHE E 261 62.132 35.974 -2.496 1.00 21.32 C ATOM 1855 CE2 PHE E 261 61.246 34.557 -0.741 1.00 21.92 C ATOM 1856 CZ PHE E 261 61.134 35.125 -1.994 1.00 21.51 C ATOM 1857 N TYR E 262 63.679 36.665 3.479 1.00 18.02 N ATOM 1858 CA TYR E 262 62.704 36.385 4.556 1.00 18.22 C ATOM 1859 C TYR E 262 62.733 37.411 5.698 1.00 17.22 C ATOM 1860 O TYR E 262 61.722 37.601 6.362 1.00 17.35 O ATOM 1861 CB TYR E 262 62.946 35.004 5.182 1.00 18.71 C ATOM 1862 CG TYR E 262 62.780 33.873 4.179 1.00 23.55 C ATOM 1863 CD1 TYR E 262 61.505 33.405 3.829 1.00 25.90 C ATOM 1864 CD2 TYR E 262 63.900 33.300 3.564 1.00 26.67 C ATOM 1865 CE1 TYR E 262 61.340 32.364 2.876 1.00 27.82 C ATOM 1866 CE2 TYR E 262 63.743 32.256 2.606 1.00 29.42 C ATOM 1867 CZ TYR E 262 62.469 31.811 2.274 1.00 30.16 C ATOM 1868 OH TYR E 262 62.327 30.788 1.341 1.00 30.48 O ATOM 1869 N TYR E 263 63.874 38.056 5.876 1.00 16.97 N ATOM 1870 CA TYR E 263 64.093 38.936 7.037 1.00 15.67 C ATOM 1871 C TYR E 263 64.529 40.350 6.658 1.00 16.18 C ATOM 1872 O TYR E 263 64.796 41.162 7.557 1.00 15.18 O ATOM 1873 CB TYR E 263 65.160 38.331 7.955 1.00 14.93 C ATOM 1874 CG TYR E 263 64.658 37.161 8.755 1.00 16.91 C ATOM 1875 CD1 TYR E 263 63.995 37.362 9.984 1.00 17.54 C ATOM 1876 CD2 TYR E 263 64.811 35.851 8.292 1.00 19.59 C ATOM 1877 CE1 TYR E 263 63.521 36.282 10.740 1.00 17.41 C ATOM 1878 CE2 TYR E 263 64.336 34.751 9.040 1.00 20.76 C ATOM 1879 CZ TYR E 263 63.693 34.971 10.251 1.00 18.61 C ATOM 1880 OH TYR E 263 63.216 33.910 11.009 1.00 19.77 O ATOM 1881 N GLY E 264 64.640 40.652 5.375 1.00 16.22 N ATOM 1882 CA GLY E 264 65.248 41.913 4.961 1.00 15.32 C ATOM 1883 C GLY E 264 66.593 42.088 5.651 1.00 15.74 C ATOM 1884 O GLY E 264 67.395 41.148 5.792 1.00 15.67 O ATOM 1885 N LYS E 265 66.859 43.315 6.118 1.00 14.07 N ATOM 1886 CA LYS E 265 68.070 43.641 6.871 1.00 13.99 C ATOM 1887 C LYS E 265 68.076 43.226 8.351 1.00 13.39 C ATOM 1888 O LYS E 265 69.093 43.309 9.007 1.00 14.31 O ATOM 1889 CB LYS E 265 68.392 45.148 6.723 1.00 14.33 C ATOM 1890 CG LYS E 265 68.710 45.482 5.219 1.00 17.92 C ATOM 1891 CD LYS E 265 68.581 46.966 5.005 1.00 20.32 C ATOM 1892 CE LYS E 265 68.758 47.302 3.518 1.00 21.29 C ATOM 1893 NZ LYS E 265 67.605 46.850 2.652 1.00 24.54 N ATOM 1894 N GLY E 266 66.940 42.709 8.839 1.00 13.58 N ATOM 1895 CA GLY E 266 66.840 42.226 10.212 1.00 12.44 C ATOM 1896 C GLY E 266 65.992 43.155 11.080 1.00 12.02 C ATOM 1897 O GLY E 266 65.209 43.965 10.555 1.00 13.17 O ATOM 1898 N LEU E 267 66.145 42.967 12.380 1.00 11.03 N ATOM 1899 CA LEU E 267 65.317 43.705 13.357 1.00 11.54 C ATOM 1900 C LEU E 267 65.852 45.107 13.564 1.00 10.66 C ATOM 1901 O LEU E 267 67.006 45.294 13.841 1.00 12.19 O ATOM 1902 CB LEU E 267 65.405 42.961 14.702 1.00 12.19 C ATOM 1903 CG LEU E 267 64.687 43.604 15.907 1.00 11.38 C ATOM 1904 CD1 LEU E 267 63.195 43.546 15.754 1.00 13.08 C ATOM 1905 CD2 LEU E 267 65.115 42.907 17.208 1.00 13.12 C ATOM 1906 N ILE E 268 64.967 46.108 13.522 1.00 10.49 N ATOM 1907 CA ILE E 268 65.444 47.465 13.855 1.00 10.54 C ATOM 1908 C ILE E 268 65.915 47.602 15.298 1.00 11.21 C ATOM 1909 O ILE E 268 65.416 46.934 16.237 1.00 11.67 O ATOM 1910 CB ILE E 268 64.357 48.549 13.562 1.00 9.77 C ATOM 1911 CG1 ILE E 268 63.061 48.330 14.372 1.00 11.33 C ATOM 1912 CG2 ILE E 268 64.006 48.642 12.044 1.00 11.92 C ATOM 1913 CD1 ILE E 268 62.342 49.695 14.691 1.00 11.35 C ATOM 1914 N ASN E 269 66.869 48.522 15.488 1.00 11.21 N ATOM 1915 CA ASN E 269 67.457 48.830 16.767 1.00 10.19 C ATOM 1916 C ASN E 269 67.547 50.373 16.774 1.00 11.39 C ATOM 1917 O ASN E 269 68.457 50.966 16.167 1.00 11.38 O ATOM 1918 CB ASN E 269 68.849 48.167 16.864 1.00 11.28 C ATOM 1919 CG ASN E 269 69.613 48.602 18.077 1.00 11.39 C ATOM 1920 OD1 ASN E 269 69.226 49.579 18.785 1.00 12.73 O ATOM 1921 ND2 ASN E 269 70.736 47.905 18.347 1.00 11.93 N ATOM 1922 N VAL E 270 66.568 51.025 17.402 1.00 10.06 N ATOM 1923 CA VAL E 270 66.509 52.508 17.374 1.00 10.17 C ATOM 1924 C VAL E 270 67.613 53.149 18.223 1.00 11.35 C ATOM 1925 O VAL E 270 68.051 54.270 17.908 1.00 11.88 O ATOM 1926 CB VAL E 270 65.105 53.014 17.754 1.00 10.86 C ATOM 1927 CG1 VAL E 270 64.797 52.766 19.197 1.00 12.94 C ATOM 1928 CG2 VAL E 270 64.953 54.509 17.359 1.00 11.57 C ATOM 1929 N GLN E 271 68.138 52.426 19.223 1.00 10.86 N ATOM 1930 CA GLN E 271 69.263 52.947 19.975 1.00 10.91 C ATOM 1931 C GLN E 271 70.496 53.137 19.053 1.00 11.56 C ATOM 1932 O GLN E 271 71.119 54.228 19.042 1.00 12.31 O ATOM 1933 CB GLN E 271 69.587 52.011 21.142 1.00 11.94 C ATOM 1934 CG GLN E 271 70.851 52.457 21.941 1.00 13.30 C ATOM 1935 CD GLN E 271 71.238 51.485 23.060 1.00 15.54 C ATOM 1936 OE1 GLN E 271 71.002 50.280 22.928 1.00 18.74 O ATOM 1937 NE2 GLN E 271 71.763 52.013 24.187 1.00 17.19 N ATOM 1938 N ALA E 272 70.835 52.088 18.325 1.00 11.84 N ATOM 1939 CA ALA E 272 71.992 52.157 17.387 1.00 11.94 C ATOM 1940 C ALA E 272 71.654 53.142 16.261 1.00 12.53 C ATOM 1941 O ALA E 272 72.541 53.932 15.814 1.00 12.89 O ATOM 1942 CB ALA E 272 72.265 50.796 16.820 1.00 12.38 C ATOM 1943 N ALA E 273 70.402 53.153 15.789 1.00 11.16 N ATOM 1944 CA ALA E 273 70.068 54.092 14.689 1.00 10.78 C ATOM 1945 C ALA E 273 70.268 55.572 15.054 1.00 11.82 C ATOM 1946 O ALA E 273 70.593 56.406 14.175 1.00 12.69 O ATOM 1947 CB ALA E 273 68.640 53.922 14.230 1.00 10.62 C ATOM 1948 N ALA E 274 70.010 55.894 16.316 1.00 12.24 N ATOM 1949 CA ALA E 274 70.038 57.299 16.701 1.00 13.00 C ATOM 1950 C ALA E 274 71.421 57.746 17.152 1.00 13.38 C ATOM 1951 O ALA E 274 71.569 58.874 17.650 1.00 14.24 O ATOM 1952 CB ALA E 274 68.959 57.556 17.819 1.00 11.47 C ATOM 1953 N GLN E 275 72.445 56.903 16.975 1.00 13.26 N ATOM 1954 CA GLN E 275 73.849 57.336 17.229 1.00 13.85 C ATOM 1955 C GLN E 275 74.358 58.034 15.989 1.00 14.58 C ATOM 1956 O GLN E 275 73.740 57.907 14.952 1.00 16.06 O ATOM 1957 CB GLN E 275 74.714 56.102 17.513 1.00 14.98 C ATOM 1958 CG GLN E 275 74.416 55.469 18.905 1.00 18.21 C ATOM 1959 CD GLN E 275 74.553 56.493 20.069 1.00 25.86 C ATOM 1960 OE1 GLN E 275 73.553 57.120 20.523 1.00 34.46 O ATOM 1961 NE2 GLN E 275 75.780 56.700 20.524 1.00 34.79 N ATOM 1962 N AHIS E 276 75.484 58.756 16.043 0.50 14.69 N ATOM 1963 N BHIS E 276 75.499 58.757 16.145 0.50 14.75 N ATOM 1964 CA AHIS E 276 75.978 59.317 14.773 0.50 14.86 C ATOM 1965 CA BHIS E 276 76.225 59.426 15.040 0.50 15.69 C ATOM 1966 C AHIS E 276 76.570 58.256 13.865 0.50 16.03 C ATOM 1967 C BHIS E 276 76.746 58.440 13.983 0.50 16.16 C ATOM 1968 O AHIS E 276 76.311 58.257 12.648 0.50 17.65 O ATOM 1969 O BHIS E 276 76.653 58.708 12.783 0.50 17.22 O ATOM 1970 CB AHIS E 276 76.975 60.437 15.026 0.50 14.49 C ATOM 1971 CB BHIS E 276 77.453 60.218 15.576 0.50 15.14 C ATOM 1972 CG AHIS E 276 76.309 61.735 15.342 0.50 13.15 C ATOM 1973 CG BHIS E 276 77.143 61.255 16.623 0.50 14.82 C ATOM 1974 ND1AHIS E 276 76.348 62.308 16.594 0.50 10.77 N ATOM 1975 ND1BHIS E 276 76.262 62.296 16.415 0.50 14.63 N ATOM 1976 CD2AHIS E 276 75.564 62.559 14.570 0.50 11.43 C ATOM 1977 CD2BHIS E 276 77.649 61.438 17.869 0.50 16.16 C ATOM 1978 CE1AHIS E 276 75.657 63.435 16.578 0.50 10.53 C ATOM 1979 CE1BHIS E 276 76.214 63.057 17.496 0.50 15.60 C ATOM 1980 NE2AHIS E 276 75.162 63.606 15.370 0.50 11.17 N ATOM 1981 NE2BHIS E 276 77.045 62.560 18.394 0.50 16.00 N ATOM 1982 N HIS E 277 77.315 57.327 14.459 1.00 15.80 N ATOM 1983 CA HIS E 277 77.993 56.314 13.655 1.00 18.06 C ATOM 1984 C HIS E 277 77.186 55.029 13.670 1.00 15.25 C ATOM 1985 O HIS E 277 76.768 54.570 14.730 1.00 17.09 O ATOM 1986 CB HIS E 277 79.428 56.117 14.168 1.00 20.81 C ATOM 1987 CG HIS E 277 80.242 57.376 14.033 1.00 28.90 C ATOM 1988 ND1 HIS E 277 80.730 58.069 15.119 1.00 35.62 N ATOM 1989 CD2 HIS E 277 80.498 58.153 12.950 1.00 34.53 C ATOM 1990 CE1 HIS E 277 81.340 59.168 14.703 1.00 34.73 C ATOM 1991 NE2 HIS E 277 81.202 59.250 13.394 1.00 35.10 N ATOM 1992 N HIS E 278 76.946 54.499 12.483 1.00 15.13 N ATOM 1993 CA HIS E 278 76.069 53.342 12.354 1.00 14.14 C ATOM 1994 C HIS E 278 76.745 52.050 11.979 1.00 15.35 C ATOM 1995 O HIS E 278 77.579 52.013 11.081 1.00 15.82 O ATOM 1996 CB HIS E 278 75.020 53.656 11.305 1.00 14.10 C ATOM 1997 CG HIS E 278 74.206 54.868 11.637 1.00 15.32 C ATOM 1998 ND1 HIS E 278 73.924 55.854 10.721 1.00 18.73 N ATOM 1999 CD2 HIS E 278 73.624 55.247 12.805 1.00 16.51 C ATOM 2000 CE1 HIS E 278 73.185 56.793 11.303 1.00 18.84 C ATOM 2001 NE2 HIS E 278 72.994 56.447 12.564 1.00 16.78 N ATOM 2002 N HIS E 279 76.358 50.988 12.658 1.00 14.49 N ATOM 2003 CA HIS E 279 76.735 49.627 12.257 1.00 14.34 C ATOM 2004 C HIS E 279 75.716 48.645 12.821 1.00 12.99 C ATOM 2005 O HIS E 279 74.991 49.002 13.760 1.00 13.69 O ATOM 2006 CB HIS E 279 78.143 49.274 12.757 1.00 16.26 C ATOM 2007 CG HIS E 279 78.327 49.410 14.233 1.00 19.98 C ATOM 2008 ND1 HIS E 279 78.803 50.565 14.818 1.00 26.69 N ATOM 2009 CD2 HIS E 279 78.190 48.508 15.233 1.00 27.05 C ATOM 2010 CE1 HIS E 279 78.890 50.385 16.128 1.00 29.80 C ATOM 2011 NE2 HIS E 279 78.559 49.135 16.402 1.00 28.32 N ATOM 2012 N HIS E 280 75.711 47.426 12.282 1.00 12.20 N ATOM 2013 CA HIS E 280 74.781 46.372 12.722 1.00 13.50 C ATOM 2014 C HIS E 280 75.262 45.733 14.024 1.00 15.34 C ATOM 2015 O HIS E 280 76.474 45.585 14.248 1.00 15.18 O ATOM 2016 CB HIS E 280 74.735 45.313 11.635 1.00 12.90 C ATOM 2017 CG HIS E 280 74.163 45.820 10.354 1.00 14.56 C ATOM 2018 ND1 HIS E 280 72.816 46.101 10.210 1.00 14.93 N ATOM 2019 CD2 HIS E 280 74.734 46.058 9.138 1.00 12.98 C ATOM 2020 CE1 HIS E 280 72.587 46.525 8.974 1.00 13.63 C ATOM 2021 NE2 HIS E 280 73.734 46.489 8.300 1.00 13.65 N ATOM 2022 N HIS E 281 74.315 45.341 14.887 1.00 16.35 N ATOM 2023 CA HIS E 281 74.696 44.567 16.085 1.00 19.05 C ATOM 2024 C HIS E 281 74.182 43.166 15.939 1.00 19.58 C ATOM 2025 O HIS E 281 74.370 42.497 16.978 1.00 23.05 O ATOM 2026 CB HIS E 281 74.142 45.183 17.383 1.00 19.18 C ATOM 2027 CG HIS E 281 74.730 46.510 17.710 1.00 21.22 C ATOM 2028 ND1 HIS E 281 75.460 46.736 18.861 1.00 27.76 N ATOM 2029 CD2 HIS E 281 74.670 47.698 17.061 1.00 22.35 C ATOM 2030 CE1 HIS E 281 75.821 48.010 18.904 1.00 27.80 C ATOM 2031 NE2 HIS E 281 75.363 48.610 17.818 1.00 26.83 N ATOM 2032 OXT HIS E 281 73.658 42.744 14.899 1.00 20.19 O TER 2033 HIS E 281 ATOM 2034 N MET I 20 45.539 21.085 7.556 1.00 43.04 N ATOM 2035 CA MET I 20 44.504 22.149 7.749 1.00 42.05 C ATOM 2036 C MET I 20 44.432 23.100 6.535 1.00 39.96 C ATOM 2037 O MET I 20 45.411 23.794 6.198 1.00 39.87 O ATOM 2038 CB MET I 20 44.763 22.916 9.051 1.00 43.14 C ATOM 2039 CG MET I 20 43.650 23.892 9.453 1.00 45.32 C ATOM 2040 SD AMET I 20 43.948 24.593 11.083 0.50 48.20 S ATOM 2041 SD BMET I 20 42.240 23.071 10.263 0.50 47.23 S ATOM 2042 CE AMET I 20 45.460 25.566 10.781 0.50 47.03 C ATOM 2043 CE BMET I 20 41.281 22.619 8.802 0.50 46.35 C ATOM 2044 N LYS I 21 43.283 23.103 5.860 1.00 37.57 N ATOM 2045 CA LYS I 21 43.141 23.951 4.670 1.00 34.70 C ATOM 2046 C LYS I 21 43.044 25.409 5.079 1.00 32.05 C ATOM 2047 O LYS I 21 42.160 25.770 5.869 1.00 32.14 O ATOM 2048 CB LYS I 21 41.925 23.561 3.828 1.00 35.64 C ATOM 2049 CG LYS I 21 42.122 23.949 2.372 1.00 35.35 C ATOM 2050 CD LYS I 21 41.120 23.313 1.473 1.00 37.99 C ATOM 2051 CE LYS I 21 41.272 23.845 0.068 1.00 38.70 C ATOM 2052 NZ LYS I 21 40.541 22.972 -0.893 1.00 43.11 N ATOM 2053 N THR I 22 43.947 26.239 4.545 1.00 28.73 N ATOM 2054 CA THR I 22 43.915 27.689 4.779 1.00 26.77 C ATOM 2055 C THR I 22 43.881 28.565 3.513 1.00 24.69 C ATOM 2056 O THR I 22 43.913 29.805 3.627 1.00 22.51 O ATOM 2057 CB THR I 22 45.102 28.169 5.673 1.00 27.49 C ATOM 2058 OG1 THR I 22 46.339 27.858 5.042 1.00 28.85 O ATOM 2059 CG2 THR I 22 45.154 27.402 6.998 1.00 31.15 C ATOM 2060 N GLU I 23 43.883 27.957 2.318 1.00 22.14 N ATOM 2061 CA GLU I 23 43.813 28.741 1.062 1.00 21.18 C ATOM 2062 C GLU I 23 42.952 27.931 0.106 1.00 19.08 C ATOM 2063 O GLU I 23 43.008 26.695 0.135 1.00 18.47 O ATOM 2064 CB GLU I 23 45.177 28.900 0.380 1.00 22.94 C ATOM 2065 CG GLU I 23 46.255 29.650 1.150 1.00 30.62 C ATOM 2066 CD GLU I 23 47.540 29.673 0.330 1.00 38.97 C ATOM 2067 OE1 GLU I 23 47.745 30.647 -0.414 1.00 41.62 O ATOM 2068 OE2 GLU I 23 48.312 28.672 0.374 1.00 43.59 O ATOM 2069 N TRP I 24 42.171 28.617 -0.741 1.00 16.39 N ATOM 2070 CA TRP I 24 41.243 27.958 -1.669 1.00 16.76 C ATOM 2071 C TRP I 24 41.438 28.412 -3.132 1.00 16.49 C ATOM 2072 O TRP I 24 40.557 29.045 -3.718 1.00 16.72 O ATOM 2073 CB TRP I 24 39.794 28.246 -1.230 1.00 16.58 C ATOM 2074 CG TRP I 24 39.396 27.595 0.095 1.00 15.57 C ATOM 2075 CD1 TRP I 24 38.715 26.400 0.273 1.00 16.79 C ATOM 2076 CD2 TRP I 24 39.643 28.098 1.416 1.00 15.18 C ATOM 2077 NE1 TRP I 24 38.536 26.137 1.617 1.00 16.35 N ATOM 2078 CE2 TRP I 24 39.093 27.159 2.341 1.00 14.65 C ATOM 2079 CE3 TRP I 24 40.266 29.265 1.920 1.00 15.04 C ATOM 2080 CZ2 TRP I 24 39.160 27.334 3.734 1.00 15.84 C ATOM 2081 CZ3 TRP I 24 40.330 29.455 3.300 1.00 14.11 C ATOM 2082 CH2 TRP I 24 39.773 28.485 4.201 1.00 15.22 C ATOM 2083 N PRO I 25 42.574 28.113 -3.751 1.00 17.82 N ATOM 2084 CA PRO I 25 42.815 28.578 -5.132 1.00 17.95 C ATOM 2085 C PRO I 25 41.783 28.041 -6.142 1.00 18.39 C ATOM 2086 O PRO I 25 41.523 28.736 -7.142 1.00 19.24 O ATOM 2087 CB PRO I 25 44.220 28.033 -5.462 1.00 18.80 C ATOM 2088 CG PRO I 25 44.412 26.933 -4.501 1.00 18.34 C ATOM 2089 CD PRO I 25 43.705 27.329 -3.202 1.00 17.53 C ATOM 2090 N GLU I 26 41.195 26.887 -5.845 1.00 18.12 N ATOM 2091 CA GLU I 26 40.177 26.276 -6.696 1.00 18.72 C ATOM 2092 C GLU I 26 38.908 27.142 -6.778 1.00 18.69 C ATOM 2093 O GLU I 26 38.062 26.916 -7.644 1.00 18.69 O ATOM 2094 CB GLU I 26 39.826 24.849 -6.211 1.00 20.76 C ATOM 2095 CG GLU I 26 39.125 24.806 -4.862 1.00 21.49 C ATOM 2096 CD GLU I 26 40.054 24.827 -3.639 1.00 22.73 C ATOM 2097 OE1 GLU I 26 41.279 25.143 -3.745 1.00 24.78 O ATOM 2098 OE2 GLU I 26 39.538 24.474 -2.574 1.00 28.15 O ATOM 2099 N LEU I 27 38.779 28.114 -5.876 1.00 15.95 N ATOM 2100 CA LEU I 27 37.575 28.963 -5.869 1.00 15.48 C ATOM 2101 C LEU I 27 37.655 30.196 -6.783 1.00 15.34 C ATOM 2102 O LEU I 27 36.650 30.875 -6.990 1.00 14.95 O ATOM 2103 CB LEU I 27 37.243 29.412 -4.435 1.00 14.42 C ATOM 2104 CG LEU I 27 36.714 28.291 -3.543 1.00 16.46 C ATOM 2105 CD1 LEU I 27 36.436 28.854 -2.123 1.00 16.46 C ATOM 2106 CD2 LEU I 27 35.419 27.595 -4.080 1.00 17.60 C ATOM 2107 N VAL I 28 38.843 30.506 -7.302 1.00 16.22 N ATOM 2108 CA VAL I 28 38.984 31.655 -8.186 1.00 15.82 C ATOM 2109 C VAL I 28 38.107 31.436 -9.425 1.00 16.07 C ATOM 2110 O VAL I 28 38.099 30.324 -9.970 1.00 17.01 O ATOM 2111 CB VAL I 28 40.458 31.892 -8.613 1.00 16.41 C ATOM 2112 CG1 VAL I 28 40.505 33.024 -9.662 1.00 16.49 C ATOM 2113 CG2 VAL I 28 41.303 32.231 -7.371 1.00 18.27 C ATOM 2114 N GLY I 29 37.312 32.445 -9.778 1.00 15.93 N ATOM 2115 CA GLY I 29 36.414 32.353 -10.942 1.00 16.73 C ATOM 2116 C GLY I 29 35.030 31.756 -10.627 1.00 17.21 C ATOM 2117 O GLY I 29 34.128 31.771 -11.485 1.00 19.19 O ATOM 2118 N LYS I 30 34.837 31.245 -9.420 1.00 15.89 N ATOM 2119 CA LYS I 30 33.506 30.789 -8.971 1.00 13.56 C ATOM 2120 C LYS I 30 32.696 31.946 -8.427 1.00 13.23 C ATOM 2121 O LYS I 30 33.213 33.024 -8.138 1.00 13.64 O ATOM 2122 CB LYS I 30 33.617 29.690 -7.897 1.00 14.95 C ATOM 2123 CG LYS I 30 34.369 28.425 -8.371 1.00 20.80 C ATOM 2124 CD LYS I 30 33.735 27.847 -9.605 1.00 27.57 C ATOM 2125 CE LYS I 30 34.230 26.378 -9.887 1.00 34.95 C ATOM 2126 NZ LYS I 30 34.004 25.438 -8.740 1.00 39.17 N ATOM 2127 N SER I 31 31.403 31.710 -8.236 1.00 13.20 N ATOM 2128 CA SER I 31 30.514 32.712 -7.645 1.00 12.43 C ATOM 2129 C SER I 31 30.862 32.938 -6.171 1.00 13.05 C ATOM 2130 O SER I 31 31.353 32.037 -5.493 1.00 13.17 O ATOM 2131 CB SER I 31 29.055 32.261 -7.752 1.00 12.42 C ATOM 2132 OG SER I 31 28.810 31.115 -6.907 1.00 12.59 O ATOM 2133 N VAL I 32 30.595 34.140 -5.675 1.00 11.85 N ATOM 2134 CA VAL I 32 30.837 34.418 -4.262 1.00 13.16 C ATOM 2135 C VAL I 32 29.983 33.465 -3.396 1.00 13.86 C ATOM 2136 O VAL I 32 30.413 33.065 -2.326 1.00 12.50 O ATOM 2137 CB VAL I 32 30.558 35.925 -3.923 1.00 13.91 C ATOM 2138 CG1 VAL I 32 29.068 36.265 -4.080 1.00 15.04 C ATOM 2139 CG2 VAL I 32 31.062 36.271 -2.504 1.00 14.76 C ATOM 2140 N GLU I 33 28.779 33.085 -3.867 1.00 12.76 N ATOM 2141 CA GLU I 33 27.904 32.162 -3.116 1.00 13.40 C ATOM 2142 C GLU I 33 28.525 30.789 -2.957 1.00 13.42 C ATOM 2143 O GLU I 33 28.528 30.235 -1.837 1.00 13.02 O ATOM 2144 CB GLU I 33 26.553 32.020 -3.856 1.00 13.34 C ATOM 2145 CG GLU I 33 25.712 33.301 -3.853 1.00 14.21 C ATOM 2146 CD GLU I 33 26.023 34.317 -4.950 1.00 13.69 C ATOM 2147 OE1 GLU I 33 26.898 34.080 -5.820 1.00 13.19 O ATOM 2148 OE2 GLU I 33 25.317 35.374 -4.920 1.00 17.46 O ATOM 2149 N GLU I 34 29.061 30.238 -4.043 1.00 13.03 N ATOM 2150 CA GLU I 34 29.682 28.911 -3.923 1.00 13.27 C ATOM 2151 C GLU I 34 30.927 28.993 -3.034 1.00 12.99 C ATOM 2152 O GLU I 34 31.183 28.115 -2.213 1.00 12.33 O ATOM 2153 CB GLU I 34 30.030 28.340 -5.297 1.00 14.28 C ATOM 2154 CG GLU I 34 30.719 26.978 -5.202 1.00 17.24 C ATOM 2155 CD GLU I 34 30.943 26.291 -6.551 1.00 21.70 C ATOM 2156 OE1 GLU I 34 30.412 26.738 -7.591 1.00 19.93 O ATOM 2157 OE2 GLU I 34 31.667 25.269 -6.553 1.00 25.87 O ATOM 2158 N ALA I 35 31.723 30.052 -3.202 1.00 12.90 N ATOM 2159 CA ALA I 35 32.916 30.221 -2.349 1.00 12.26 C ATOM 2160 C ALA I 35 32.549 30.247 -0.866 1.00 13.28 C ATOM 2161 O ALA I 35 33.204 29.564 -0.059 1.00 12.73 O ATOM 2162 CB ALA I 35 33.672 31.535 -2.731 1.00 12.04 C ATOM 2163 N LYS I 36 31.477 30.982 -0.502 1.00 12.80 N ATOM 2164 CA LYS I 36 31.054 31.018 0.928 1.00 12.16 C ATOM 2165 C LYS I 36 30.680 29.619 1.390 1.00 13.79 C ATOM 2166 O LYS I 36 31.092 29.201 2.486 1.00 13.45 O ATOM 2167 CB LYS I 36 29.877 31.956 1.162 1.00 13.96 C ATOM 2168 CG LYS I 36 30.247 33.475 1.042 1.00 17.59 C ATOM 2169 CD LYS I 36 28.940 34.273 1.269 1.00 22.42 C ATOM 2170 CE LYS I 36 29.161 35.772 1.275 1.00 29.42 C ATOM 2171 NZ LYS I 36 27.848 36.532 1.474 1.00 33.48 N ATOM 2172 N LYS I 37 29.903 28.896 0.573 1.00 12.29 N ATOM 2173 CA LYS I 37 29.468 27.546 0.956 1.00 12.39 C ATOM 2174 C LYS I 37 30.644 26.617 1.220 1.00 12.30 C ATOM 2175 O LYS I 37 30.684 25.933 2.237 1.00 12.92 O ATOM 2176 CB LYS I 37 28.529 26.955 -0.116 1.00 12.73 C ATOM 2177 CG LYS I 37 28.046 25.574 0.307 1.00 15.77 C ATOM 2178 CD LYS I 37 27.270 24.908 -0.806 1.00 22.12 C ATOM 2179 CE LYS I 37 26.738 23.551 -0.321 1.00 28.48 C ATOM 2180 NZ LYS I 37 25.351 23.220 -0.907 1.00 34.22 N ATOM 2181 N VAL I 38 31.595 26.609 0.296 1.00 12.05 N ATOM 2182 CA VAL I 38 32.765 25.733 0.378 1.00 13.04 C ATOM 2183 C VAL I 38 33.653 26.104 1.567 1.00 12.64 C ATOM 2184 O VAL I 38 34.040 25.230 2.380 1.00 13.60 O ATOM 2185 CB VAL I 38 33.576 25.823 -0.926 1.00 14.01 C ATOM 2186 CG1 VAL I 38 34.959 25.120 -0.723 1.00 18.15 C ATOM 2187 CG2 VAL I 38 32.780 25.137 -2.074 1.00 16.02 C ATOM 2188 N ILE I 39 33.933 27.409 1.737 1.00 12.11 N ATOM 2189 CA ILE I 39 34.749 27.806 2.881 1.00 13.38 C ATOM 2190 C ILE I 39 34.111 27.414 4.197 1.00 12.41 C ATOM 2191 O ILE I 39 34.810 26.907 5.096 1.00 14.48 O ATOM 2192 CB ILE I 39 35.068 29.332 2.790 1.00 13.16 C ATOM 2193 CG1 ILE I 39 36.095 29.520 1.638 1.00 16.15 C ATOM 2194 CG2 ILE I 39 35.698 29.824 4.134 1.00 14.27 C ATOM 2195 CD1 ILE I 39 36.118 30.955 1.057 1.00 17.19 C ATOM 2196 N LEU I 40 32.813 27.635 4.347 1.00 12.16 N ATOM 2197 CA LEU I 40 32.131 27.268 5.596 1.00 13.11 C ATOM 2198 C LEU I 40 32.051 25.759 5.849 1.00 14.18 C ATOM 2199 O LEU I 40 31.875 25.333 6.998 1.00 15.41 O ATOM 2200 CB LEU I 40 30.746 27.922 5.687 1.00 13.22 C ATOM 2201 CG LEU I 40 30.860 29.470 5.748 1.00 14.72 C ATOM 2202 CD1 LEU I 40 29.507 30.042 5.549 1.00 16.26 C ATOM 2203 CD2 LEU I 40 31.423 29.862 7.140 1.00 17.45 C ATOM 2204 N GLN I 41 32.167 24.928 4.809 1.00 13.33 N ATOM 2205 CA GLN I 41 32.273 23.472 5.056 1.00 13.10 C ATOM 2206 C GLN I 41 33.635 23.137 5.660 1.00 14.22 C ATOM 2207 O GLN I 41 33.742 22.267 6.541 1.00 14.53 O ATOM 2208 CB GLN I 41 32.078 22.679 3.771 1.00 12.66 C ATOM 2209 CG GLN I 41 30.691 22.785 3.215 1.00 13.94 C ATOM 2210 CD GLN I 41 30.485 21.940 1.954 1.00 16.85 C ATOM 2211 OE1 GLN I 41 29.324 21.625 1.619 1.00 19.82 O ATOM 2212 NE2 GLN I 41 31.587 21.628 1.219 1.00 18.30 N ATOM 2213 N ASP I 42 34.671 23.807 5.175 1.00 13.34 N ATOM 2214 CA ASP I 42 36.030 23.531 5.665 1.00 14.10 C ATOM 2215 C ASP I 42 36.341 24.192 6.994 1.00 14.66 C ATOM 2216 O ASP I 42 37.152 23.685 7.778 1.00 16.56 O ATOM 2217 CB ASP I 42 37.079 23.984 4.644 1.00 14.99 C ATOM 2218 CG ASP I 42 37.002 23.238 3.336 1.00 19.91 C ATOM 2219 OD1 ASP I 42 36.522 22.067 3.346 1.00 23.13 O ATOM 2220 OD2 ASP I 42 37.407 23.728 2.248 1.00 18.98 O ATOM 2221 N LYS I 43 35.715 25.338 7.233 1.00 13.82 N ATOM 2222 CA LYS I 43 36.002 26.214 8.367 1.00 15.10 C ATOM 2223 C LYS I 43 34.678 26.815 8.809 1.00 15.03 C ATOM 2224 O LYS I 43 34.369 27.954 8.502 1.00 14.04 O ATOM 2225 CB LYS I 43 36.993 27.288 7.882 1.00 14.24 C ATOM 2226 CG LYS I 43 37.552 28.223 8.991 1.00 16.04 C ATOM 2227 CD LYS I 43 38.503 29.223 8.349 1.00 19.28 C ATOM 2228 CE LYS I 43 38.920 30.366 9.322 1.00 20.48 C ATOM 2229 NZ LYS I 43 39.752 29.818 10.433 1.00 22.98 N ATOM 2230 N PRO I 44 33.825 26.040 9.496 1.00 14.53 N ATOM 2231 CA PRO I 44 32.466 26.522 9.816 1.00 15.31 C ATOM 2232 C PRO I 44 32.349 27.771 10.698 1.00 15.69 C ATOM 2233 O PRO I 44 31.315 28.430 10.582 1.00 16.37 O ATOM 2234 CB PRO I 44 31.778 25.313 10.503 1.00 15.90 C ATOM 2235 CG PRO I 44 32.656 24.135 10.186 1.00 15.84 C ATOM 2236 CD PRO I 44 34.052 24.622 9.895 1.00 15.00 C ATOM 2237 N ALA I 45 33.412 28.112 11.426 1.00 16.69 N ATOM 2238 CA ALA I 45 33.403 29.312 12.248 1.00 18.88 C ATOM 2239 C ALA I 45 33.999 30.519 11.523 1.00 18.43 C ATOM 2240 O ALA I 45 34.135 31.603 12.120 1.00 19.54 O ATOM 2241 CB ALA I 45 34.141 29.037 13.599 1.00 19.49 C ATOM 2242 N ALA I 46 34.311 30.381 10.229 1.00 17.47 N ATOM 2243 CA ALA I 46 34.948 31.494 9.479 1.00 16.68 C ATOM 2244 C ALA I 46 34.110 32.756 9.500 1.00 17.50 C ATOM 2245 O ALA I 46 32.903 32.730 9.327 1.00 16.95 O ATOM 2246 CB ALA I 46 35.217 31.082 8.028 1.00 16.83 C ATOM 2247 N GLN I 47 34.790 33.891 9.707 1.00 16.87 N ATOM 2248 CA GLN I 47 34.166 35.203 9.538 1.00 18.23 C ATOM 2249 C GLN I 47 34.460 35.747 8.155 1.00 18.03 C ATOM 2250 O GLN I 47 35.585 36.194 7.863 1.00 19.46 O ATOM 2251 CB GLN I 47 34.695 36.142 10.654 1.00 19.96 C ATOM 2252 CG AGLN I 47 34.479 35.564 12.037 0.67 23.09 C ATOM 2253 CG BGLN I 47 34.047 35.799 12.016 0.33 20.86 C ATOM 2254 CD AGLN I 47 33.000 35.363 12.330 0.67 27.91 C ATOM 2255 CD BGLN I 47 34.799 36.356 13.223 0.33 22.39 C ATOM 2256 OE1AGLN I 47 32.237 36.337 12.395 0.67 31.48 O ATOM 2257 OE1BGLN I 47 34.889 35.703 14.278 0.33 24.13 O ATOM 2258 NE2AGLN I 47 32.580 34.098 12.460 0.67 29.58 N ATOM 2259 NE2BGLN I 47 35.333 37.554 13.076 0.33 22.95 N ATOM 2260 N ILE I 48 33.459 35.683 7.294 1.00 17.12 N ATOM 2261 CA ILE I 48 33.670 35.998 5.896 1.00 17.96 C ATOM 2262 C ILE I 48 33.272 37.407 5.575 1.00 19.22 C ATOM 2263 O ILE I 48 32.153 37.854 5.916 1.00 19.95 O ATOM 2264 CB ILE I 48 32.922 34.971 4.983 1.00 18.22 C ATOM 2265 CG1 ILE I 48 33.550 33.576 5.173 1.00 18.82 C ATOM 2266 CG2 ILE I 48 32.942 35.470 3.499 1.00 19.48 C ATOM 2267 CD1 ILE I 48 32.719 32.456 4.493 1.00 21.86 C ATOM 2268 N ILE I 49 34.197 38.134 4.940 1.00 18.38 N ATOM 2269 CA ILE I 49 33.849 39.472 4.459 1.00 19.00 C ATOM 2270 C ILE I 49 34.103 39.599 2.973 1.00 17.84 C ATOM 2271 O ILE I 49 35.187 39.240 2.516 1.00 17.90 O ATOM 2272 CB ILE I 49 34.596 40.579 5.291 1.00 20.63 C ATOM 2273 CG1AILE I 49 33.971 41.947 4.998 0.67 22.09 C ATOM 2274 CG1BILE I 49 34.153 40.576 6.764 0.33 20.64 C ATOM 2275 CG2AILE I 49 36.066 40.494 5.110 0.67 17.81 C ATOM 2276 CG2BILE I 49 34.412 41.954 4.654 0.33 20.82 C ATOM 2277 CD1AILE I 49 34.213 43.019 6.103 0.67 28.23 C ATOM 2278 CD1BILE I 49 35.105 39.870 7.702 0.33 22.62 C ATOM 2279 N VAL I 50 33.129 40.139 2.244 1.00 18.29 N ATOM 2280 CA VAL I 50 33.202 40.278 0.799 1.00 18.80 C ATOM 2281 C VAL I 50 33.559 41.720 0.433 1.00 20.56 C ATOM 2282 O VAL I 50 32.913 42.663 0.912 1.00 20.98 O ATOM 2283 CB VAL I 50 31.862 39.921 0.136 1.00 19.23 C ATOM 2284 CG1 VAL I 50 31.921 40.139 -1.361 1.00 19.57 C ATOM 2285 CG2 VAL I 50 31.499 38.459 0.490 1.00 19.25 C ATOM 2286 N LEU I 51 34.584 41.874 -0.395 1.00 20.22 N ATOM 2287 CA LEU I 51 35.107 43.203 -0.749 1.00 21.22 C ATOM 2288 C LEU I 51 35.360 43.242 -2.235 1.00 20.66 C ATOM 2289 O LEU I 51 35.673 42.217 -2.857 1.00 19.30 O ATOM 2290 CB LEU I 51 36.426 43.502 0.023 1.00 21.43 C ATOM 2291 CG LEU I 51 36.350 43.477 1.568 1.00 26.40 C ATOM 2292 CD1 LEU I 51 37.742 43.440 2.252 1.00 27.85 C ATOM 2293 CD2 LEU I 51 35.513 44.671 2.071 1.00 29.35 C ATOM 2294 N PRO I 52 35.316 44.430 -2.844 1.00 21.39 N ATOM 2295 CA PRO I 52 35.698 44.543 -4.249 1.00 21.05 C ATOM 2296 C PRO I 52 37.182 44.277 -4.449 1.00 21.29 C ATOM 2297 O PRO I 52 38.006 44.710 -3.646 1.00 20.93 O ATOM 2298 CB PRO I 52 35.374 46.007 -4.605 1.00 21.99 C ATOM 2299 CG PRO I 52 34.570 46.516 -3.462 1.00 23.52 C ATOM 2300 CD PRO I 52 34.912 45.726 -2.243 1.00 22.95 C ATOM 2301 N VAL I 53 37.510 43.554 -5.489 1.00 20.86 N ATOM 2302 CA VAL I 53 38.895 43.307 -5.829 1.00 21.67 C ATOM 2303 C VAL I 53 39.556 44.668 -6.142 1.00 22.01 C ATOM 2304 O VAL I 53 38.892 45.587 -6.616 1.00 22.32 O ATOM 2305 CB VAL I 53 39.021 42.300 -6.968 1.00 22.45 C ATOM 2306 CG1 VAL I 53 38.535 42.868 -8.278 1.00 21.67 C ATOM 2307 CG2 VAL I 53 40.469 41.753 -7.084 1.00 23.12 C ATOM 2308 N GLY I 54 40.826 44.793 -5.775 1.00 23.01 N ATOM 2309 CA GLY I 54 41.531 46.050 -6.010 1.00 23.91 C ATOM 2310 C GLY I 54 41.237 47.139 -4.974 1.00 25.19 C ATOM 2311 O GLY I 54 41.389 48.340 -5.270 1.00 27.70 O ATOM 2312 N THR I 55 40.742 46.759 -3.804 1.00 22.95 N ATOM 2313 CA THR I 55 40.655 47.741 -2.724 1.00 23.37 C ATOM 2314 C THR I 55 41.894 47.523 -1.860 1.00 21.81 C ATOM 2315 O THR I 55 42.611 46.522 -2.007 1.00 22.27 O ATOM 2316 CB THR I 55 39.385 47.581 -1.907 1.00 23.87 C ATOM 2317 OG1 THR I 55 39.321 46.234 -1.479 1.00 27.58 O ATOM 2318 CG2 THR I 55 38.158 47.653 -2.796 1.00 27.29 C ATOM 2319 N ILE I 56 42.184 48.501 -1.015 1.00 19.02 N ATOM 2320 CA ILE I 56 43.281 48.382 -0.077 1.00 18.87 C ATOM 2321 C ILE I 56 42.647 48.000 1.272 1.00 16.41 C ATOM 2322 O ILE I 56 41.535 48.438 1.590 1.00 17.32 O ATOM 2323 CB ILE I 56 44.076 49.754 -0.039 1.00 20.24 C ATOM 2324 CG1 ILE I 56 45.098 49.796 -1.193 1.00 23.35 C ATOM 2325 CG2 ILE I 56 44.725 50.007 1.373 1.00 21.13 C ATOM 2326 CD1 ILE I 56 45.625 51.195 -1.586 1.00 30.82 C ATOM 2327 N VAL I 57 43.326 47.134 2.033 1.00 15.58 N ATOM 2328 CA VAL I 57 42.797 46.710 3.339 1.00 15.50 C ATOM 2329 C VAL I 57 43.860 46.834 4.408 1.00 14.44 C ATOM 2330 O VAL I 57 45.066 46.841 4.127 1.00 14.10 O ATOM 2331 CB VAL I 57 42.301 45.207 3.335 1.00 15.80 C ATOM 2332 CG1 VAL I 57 41.077 45.083 2.336 1.00 18.09 C ATOM 2333 CG2 VAL I 57 43.433 44.185 3.012 1.00 15.36 C ATOM 2334 N ALA I 58 43.394 46.904 5.639 1.00 14.03 N ATOM 2335 CA ALA I 58 44.295 46.862 6.821 1.00 13.58 C ATOM 2336 C ALA I 58 45.085 45.579 6.875 1.00 15.22 C ATOM 2337 O ALA I 58 44.590 44.517 6.443 1.00 16.00 O ATOM 2338 CB ALA I 58 43.439 47.050 8.111 1.00 14.58 C ATOM 2339 N MET I 59 46.335 45.629 7.361 1.00 13.19 N ATOM 2340 CA MET I 59 47.248 44.487 7.380 1.00 15.23 C ATOM 2341 C MET I 59 47.383 43.737 8.734 1.00 13.79 C ATOM 2342 O MET I 59 48.465 43.222 9.127 1.00 14.56 O ATOM 2343 CB MET I 59 48.634 44.887 6.806 1.00 14.75 C ATOM 2344 CG MET I 59 48.580 45.232 5.294 1.00 16.36 C ATOM 2345 SD MET I 59 48.324 43.616 4.413 1.00 18.65 S ATOM 2346 CE MET I 59 47.192 44.115 3.206 1.00 21.94 C ATOM 2347 N GLU I 60 46.248 43.575 9.422 1.00 15.22 N ATOM 2348 CA GLU I 60 46.266 42.716 10.593 1.00 14.84 C ATOM 2349 C GLU I 60 45.968 41.283 10.178 1.00 15.21 C ATOM 2350 O GLU I 60 45.397 41.055 9.095 1.00 15.27 O ATOM 2351 CB GLU I 60 45.320 43.266 11.672 1.00 16.23 C ATOM 2352 CG GLU I 60 43.831 42.893 11.602 1.00 19.93 C ATOM 2353 CD GLU I 60 42.954 43.534 10.492 1.00 20.26 C ATOM 2354 OE1 GLU I 60 43.404 43.712 9.339 1.00 19.31 O ATOM 2355 OE2 GLU I 60 41.765 43.826 10.767 1.00 19.38 O ATOM 2356 N TYR I 61 46.436 40.336 10.976 1.00 14.71 N ATOM 2357 CA TYR I 61 46.261 38.921 10.644 1.00 16.11 C ATOM 2358 C TYR I 61 45.279 38.328 11.652 1.00 18.21 C ATOM 2359 O TYR I 61 45.555 38.292 12.871 1.00 17.81 O ATOM 2360 CB TYR I 61 47.592 38.187 10.655 1.00 16.73 C ATOM 2361 CG TYR I 61 47.525 36.732 10.153 1.00 20.23 C ATOM 2362 CD1 TYR I 61 47.441 36.489 8.778 1.00 22.27 C ATOM 2363 CD2 TYR I 61 47.604 35.654 11.026 1.00 24.87 C ATOM 2364 CE1 TYR I 61 47.393 35.204 8.263 1.00 26.51 C ATOM 2365 CE2 TYR I 61 47.540 34.304 10.496 1.00 25.47 C ATOM 2366 CZ TYR I 61 47.432 34.123 9.119 1.00 29.06 C ATOM 2367 OH TYR I 61 47.382 32.855 8.528 1.00 30.16 O ATOM 2368 N ARG I 62 44.153 37.841 11.137 1.00 18.29 N ATOM 2369 CA ARG I 62 43.072 37.304 11.958 1.00 21.07 C ATOM 2370 C ARG I 62 42.827 35.868 11.484 1.00 22.18 C ATOM 2371 O ARG I 62 42.297 35.664 10.375 1.00 20.99 O ATOM 2372 CB ARG I 62 41.789 38.100 11.735 1.00 21.00 C ATOM 2373 CG AARG I 62 41.715 39.409 12.489 0.50 23.82 C ATOM 2374 CG BARG I 62 41.759 39.480 12.419 0.50 21.49 C ATOM 2375 CD AARG I 62 40.949 39.284 13.771 0.50 27.61 C ATOM 2376 CD BARG I 62 40.470 40.271 12.268 0.50 18.41 C ATOM 2377 NE AARG I 62 39.587 38.809 13.525 0.50 28.27 N ATOM 2378 NE BARG I 62 40.572 41.547 12.986 0.50 23.55 N ATOM 2379 CZ AARG I 62 38.588 39.574 13.114 0.50 30.09 C ATOM 2380 CZ BARG I 62 39.744 41.970 13.939 0.50 24.73 C ATOM 2381 NH1AARG I 62 38.774 40.872 12.895 0.50 31.20 N ATOM 2382 NH1BARG I 62 38.702 41.230 14.302 0.50 25.84 N ATOM 2383 NH2AARG I 62 37.390 39.037 12.917 0.50 29.97 N ATOM 2384 NH2BARG I 62 39.959 43.143 14.537 0.50 23.16 N ATOM 2385 N ILE I 63 43.194 34.895 12.316 1.00 22.74 N ATOM 2386 CA ILE I 63 43.044 33.471 12.026 1.00 24.67 C ATOM 2387 C ILE I 63 41.587 33.034 11.709 1.00 23.45 C ATOM 2388 O ILE I 63 41.391 32.076 10.961 1.00 25.67 O ATOM 2389 CB ILE I 63 43.649 32.664 13.246 1.00 25.58 C ATOM 2390 CG1 ILE I 63 43.956 31.215 12.882 1.00 29.79 C ATOM 2391 CG2 ILE I 63 42.789 32.805 14.506 1.00 27.78 C ATOM 2392 CD1 ILE I 63 45.266 30.697 13.595 1.00 32.92 C ATOM 2393 N ASP I 64 40.601 33.749 12.230 1.00 23.32 N ATOM 2394 CA ASP I 64 39.190 33.362 12.102 1.00 23.49 C ATOM 2395 C ASP I 64 38.569 33.942 10.823 1.00 22.31 C ATOM 2396 O ASP I 64 37.412 33.635 10.475 1.00 21.94 O ATOM 2397 CB ASP I 64 38.434 33.914 13.294 1.00 25.71 C ATOM 2398 CG ASP I 64 38.654 35.436 13.457 1.00 30.91 C ATOM 2399 OD1 ASP I 64 39.801 35.866 13.785 1.00 36.01 O ATOM 2400 OD2 ASP I 64 37.758 36.277 13.237 1.00 37.12 O ATOM 2401 N ARG I 65 39.285 34.853 10.153 1.00 19.06 N ATOM 2402 CA ARG I 65 38.700 35.602 9.035 1.00 16.87 C ATOM 2403 C ARG I 65 39.094 35.032 7.677 1.00 15.53 C ATOM 2404 O ARG I 65 40.213 34.576 7.480 1.00 15.69 O ATOM 2405 CB ARG I 65 39.177 37.075 9.079 1.00 17.38 C ATOM 2406 CG ARG I 65 38.684 37.986 7.906 1.00 15.35 C ATOM 2407 CD ARG I 65 39.025 39.489 8.150 1.00 16.37 C ATOM 2408 NE ARG I 65 40.496 39.636 8.256 1.00 16.47 N ATOM 2409 CZ ARG I 65 41.068 40.765 8.733 1.00 16.39 C ATOM 2410 NH1 ARG I 65 40.293 41.806 9.122 1.00 16.76 N ATOM 2411 NH2 ARG I 65 42.389 40.840 8.795 1.00 16.06 N ATOM 2412 N VAL I 66 38.148 35.099 6.731 1.00 14.79 N ATOM 2413 CA VAL I 66 38.442 34.859 5.319 1.00 14.66 C ATOM 2414 C VAL I 66 37.836 35.981 4.472 1.00 14.74 C ATOM 2415 O VAL I 66 36.614 36.125 4.347 1.00 15.04 O ATOM 2416 CB VAL I 66 37.939 33.464 4.794 1.00 14.32 C ATOM 2417 CG1 VAL I 66 38.324 33.337 3.352 1.00 15.92 C ATOM 2418 CG2 VAL I 66 38.498 32.257 5.611 1.00 13.98 C ATOM 2419 N ARG I 67 38.701 36.819 3.901 1.00 14.07 N ATOM 2420 CA ARG I 67 38.220 37.824 2.960 1.00 14.06 C ATOM 2421 C ARG I 67 38.003 37.215 1.579 1.00 13.79 C ATOM 2422 O ARG I 67 38.846 36.432 1.091 1.00 16.02 O ATOM 2423 CB ARG I 67 39.250 38.967 2.852 1.00 14.14 C ATOM 2424 CG ARG I 67 39.421 39.777 4.160 1.00 16.49 C ATOM 2425 CD ARG I 67 40.158 41.089 3.843 1.00 19.85 C ATOM 2426 NE ARG I 67 40.394 42.010 4.970 1.00 18.63 N ATOM 2427 CZ ARG I 67 41.581 42.151 5.565 1.00 20.85 C ATOM 2428 NH1 ARG I 67 42.603 41.371 5.228 1.00 20.13 N ATOM 2429 NH2 ARG I 67 41.740 43.083 6.504 1.00 18.22 N ATOM 2430 N LEU I 68 36.888 37.616 0.954 1.00 14.43 N ATOM 2431 CA LEU I 68 36.575 37.209 -0.433 1.00 13.85 C ATOM 2432 C LEU I 68 36.587 38.469 -1.296 1.00 13.93 C ATOM 2433 O LEU I 68 35.764 39.360 -1.082 1.00 16.12 O ATOM 2434 CB LEU I 68 35.216 36.537 -0.508 1.00 14.40 C ATOM 2435 CG LEU I 68 35.168 35.182 0.178 1.00 14.42 C ATOM 2436 CD1 LEU I 68 33.725 34.644 0.040 1.00 15.04 C ATOM 2437 CD2 LEU I 68 36.188 34.207 -0.361 1.00 15.40 C ATOM 2438 N PHE I 69 37.535 38.542 -2.213 1.00 13.68 N ATOM 2439 CA PHE I 69 37.626 39.683 -3.133 1.00 14.62 C ATOM 2440 C PHE I 69 36.942 39.323 -4.438 1.00 15.34 C ATOM 2441 O PHE I 69 37.357 38.396 -5.135 1.00 16.30 O ATOM 2442 CB PHE I 69 39.110 40.060 -3.374 1.00 14.45 C ATOM 2443 CG PHE I 69 39.768 40.659 -2.154 1.00 15.75 C ATOM 2444 CD1 PHE I 69 39.652 42.035 -1.890 1.00 19.73 C ATOM 2445 CD2 PHE I 69 40.492 39.873 -1.290 1.00 16.60 C ATOM 2446 CE1 PHE I 69 40.298 42.605 -0.742 1.00 18.06 C ATOM 2447 CE2 PHE I 69 41.122 40.445 -0.151 1.00 16.47 C ATOM 2448 CZ PHE I 69 41.034 41.792 0.096 1.00 16.61 C ATOM 2449 N VAL I 70 35.896 40.078 -4.754 1.00 15.24 N ATOM 2450 CA VAL I 70 35.117 39.820 -5.969 1.00 16.78 C ATOM 2451 C VAL I 70 35.275 40.871 -7.077 1.00 17.50 C ATOM 2452 O VAL I 70 35.520 42.068 -6.822 1.00 19.02 O ATOM 2453 CB VAL I 70 33.604 39.690 -5.612 1.00 16.93 C ATOM 2454 CG1 VAL I 70 33.383 38.487 -4.669 1.00 18.75 C ATOM 2455 CG2 VAL I 70 33.060 40.950 -4.915 1.00 18.56 C ATOM 2456 N ASP I 71 35.070 40.409 -8.290 1.00 18.26 N ATOM 2457 CA ASP I 71 34.992 41.310 -9.435 1.00 18.34 C ATOM 2458 C ASP I 71 33.605 41.944 -9.526 1.00 19.41 C ATOM 2459 O ASP I 71 32.796 41.747 -8.642 1.00 19.35 O ATOM 2460 CB ASP I 71 35.497 40.622 -10.690 1.00 18.49 C ATOM 2461 CG ASP I 71 34.574 39.491 -11.197 1.00 19.40 C ATOM 2462 OD1 ASP I 71 33.384 39.457 -10.834 1.00 18.33 O ATOM 2463 OD2 ASP I 71 35.020 38.618 -11.940 1.00 24.64 O ATOM 2464 N ARG I 72 33.367 42.782 -10.560 1.00 20.99 N ATOM 2465 CA ARG I 72 32.121 43.539 -10.620 1.00 22.43 C ATOM 2466 C ARG I 72 30.941 42.630 -10.963 1.00 21.69 C ATOM 2467 O ARG I 72 29.797 43.098 -10.868 1.00 21.10 O ATOM 2468 CB ARG I 72 32.211 44.670 -11.665 1.00 23.89 C ATOM 2469 CG ARG I 72 32.257 44.118 -13.045 1.00 30.45 C ATOM 2470 CD ARG I 72 32.485 45.103 -14.222 1.00 38.59 C ATOM 2471 NE ARG I 72 32.729 44.256 -15.390 1.00 44.13 N ATOM 2472 CZ ARG I 72 31.788 43.873 -16.249 1.00 47.14 C ATOM 2473 NH1 ARG I 72 30.536 44.311 -16.110 1.00 47.56 N ATOM 2474 NH2 ARG I 72 32.105 43.070 -17.259 1.00 48.55 N ATOM 2475 N LEU I 73 31.237 41.382 -11.350 1.00 19.94 N ATOM 2476 CA LEU I 73 30.183 40.369 -11.616 1.00 18.49 C ATOM 2477 C LEU I 73 29.833 39.547 -10.356 1.00 18.07 C ATOM 2478 O LEU I 73 28.888 38.755 -10.417 1.00 17.55 O ATOM 2479 CB LEU I 73 30.593 39.434 -12.760 1.00 19.06 C ATOM 2480 CG LEU I 73 30.936 40.055 -14.139 1.00 18.81 C ATOM 2481 CD1 LEU I 73 31.378 39.044 -15.176 1.00 20.84 C ATOM 2482 CD2 LEU I 73 29.736 40.917 -14.593 1.00 21.62 C ATOM 2483 N ASP I 74 30.558 39.733 -9.237 1.00 16.84 N ATOM 2484 CA ASP I 74 30.384 38.982 -7.969 1.00 16.28 C ATOM 2485 C ASP I 74 30.993 37.562 -8.066 1.00 14.96 C ATOM 2486 O ASP I 74 30.546 36.641 -7.361 1.00 14.42 O ATOM 2487 CB ASP I 74 28.921 38.926 -7.462 1.00 16.65 C ATOM 2488 CG ASP I 74 28.726 39.555 -6.066 1.00 19.99 C ATOM 2489 OD1 ASP I 74 29.652 40.242 -5.575 1.00 24.89 O ATOM 2490 OD2 ASP I 74 27.663 39.472 -5.385 1.00 20.28 O ATOM 2491 N ASN I 75 32.020 37.417 -8.894 1.00 14.39 N ATOM 2492 CA ASN I 75 32.808 36.181 -8.956 1.00 14.84 C ATOM 2493 C ASN I 75 34.135 36.390 -8.229 1.00 15.35 C ATOM 2494 O ASN I 75 34.645 37.530 -8.169 1.00 15.56 O ATOM 2495 CB ASN I 75 33.061 35.750 -10.389 1.00 14.27 C ATOM 2496 CG ASN I 75 31.764 35.442 -11.132 1.00 15.22 C ATOM 2497 OD1 ASN I 75 30.832 34.892 -10.557 1.00 14.80 O ATOM 2498 ND2 ASN I 75 31.704 35.826 -12.406 1.00 14.83 N ATOM 2499 N ILE I 76 34.689 35.316 -7.653 1.00 15.35 N ATOM 2500 CA ILE I 76 35.969 35.442 -6.912 1.00 14.17 C ATOM 2501 C ILE I 76 37.114 35.794 -7.860 1.00 13.99 C ATOM 2502 O ILE I 76 37.345 35.121 -8.871 1.00 16.44 O ATOM 2503 CB ILE I 76 36.294 34.096 -6.219 1.00 13.56 C ATOM 2504 CG1 ILE I 76 35.166 33.695 -5.252 1.00 12.95 C ATOM 2505 CG2 ILE I 76 37.680 34.147 -5.512 1.00 14.37 C ATOM 2506 CD1 ILE I 76 34.866 34.748 -4.093 1.00 14.39 C ATOM 2507 N ALA I 77 37.867 36.827 -7.487 1.00 15.42 N ATOM 2508 CA ALA I 77 38.926 37.365 -8.356 1.00 16.52 C ATOM 2509 C ALA I 77 40.348 37.220 -7.794 1.00 19.16 C ATOM 2510 O ALA I 77 41.308 37.547 -8.497 1.00 22.35 O ATOM 2511 CB ALA I 77 38.633 38.804 -8.678 1.00 17.55 C ATOM 2512 N GLN I 78 40.475 36.683 -6.580 1.00 17.25 N ATOM 2513 CA GLN I 78 41.759 36.539 -5.891 1.00 18.56 C ATOM 2514 C GLN I 78 41.650 35.258 -5.031 1.00 16.56 C ATOM 2515 O GLN I 78 40.543 34.941 -4.537 1.00 15.47 O ATOM 2516 CB GLN I 78 41.913 37.764 -4.991 1.00 18.78 C ATOM 2517 CG GLN I 78 43.252 37.909 -4.255 1.00 23.23 C ATOM 2518 CD GLN I 78 43.363 39.286 -3.609 1.00 26.04 C ATOM 2519 OE1 GLN I 78 43.138 40.332 -4.272 1.00 24.45 O ATOM 2520 NE2 GLN I 78 43.675 39.302 -2.313 1.00 24.92 N ATOM 2521 N VAL I 79 42.749 34.506 -4.868 1.00 16.06 N ATOM 2522 CA VAL I 79 42.739 33.286 -4.048 1.00 16.45 C ATOM 2523 C VAL I 79 42.306 33.626 -2.621 1.00 15.57 C ATOM 2524 O VAL I 79 42.986 34.444 -1.921 1.00 15.93 O ATOM 2525 CB VAL I 79 44.148 32.598 -4.031 1.00 16.93 C ATOM 2526 CG1 VAL I 79 44.192 31.424 -3.068 1.00 16.93 C ATOM 2527 CG2 VAL I 79 44.524 32.113 -5.439 1.00 18.53 C ATOM 2528 N PRO I 80 41.183 33.054 -2.172 1.00 14.23 N ATOM 2529 CA PRO I 80 40.803 33.222 -0.751 1.00 14.03 C ATOM 2530 C PRO I 80 41.826 32.539 0.176 1.00 14.48 C ATOM 2531 O PRO I 80 42.267 31.426 -0.117 1.00 14.00 O ATOM 2532 CB PRO I 80 39.441 32.529 -0.656 1.00 14.10 C ATOM 2533 CG PRO I 80 38.922 32.575 -2.136 1.00 13.45 C ATOM 2534 CD PRO I 80 40.175 32.268 -2.933 1.00 13.55 C ATOM 2535 N ARG I 81 42.170 33.220 1.254 1.00 15.97 N ATOM 2536 CA ARG I 81 43.004 32.609 2.304 1.00 16.12 C ATOM 2537 C ARG I 81 42.604 33.115 3.660 1.00 16.33 C ATOM 2538 O ARG I 81 41.945 34.157 3.821 1.00 16.40 O ATOM 2539 CB ARG I 81 44.470 32.886 2.058 1.00 17.72 C ATOM 2540 CG ARG I 81 44.837 34.352 2.173 1.00 21.01 C ATOM 2541 CD AARG I 81 46.311 34.565 2.504 0.50 18.42 C ATOM 2542 CD BARG I 81 46.304 34.570 2.571 0.50 28.62 C ATOM 2543 NE AARG I 81 46.603 35.993 2.469 0.50 16.05 N ATOM 2544 NE BARG I 81 47.276 33.955 1.662 0.50 34.30 N ATOM 2545 CZ AARG I 81 46.403 36.855 3.466 0.50 16.30 C ATOM 2546 CZ BARG I 81 48.128 32.986 2.008 0.50 37.08 C ATOM 2547 NH1AARG I 81 45.951 36.480 4.666 0.50 15.63 N ATOM 2548 NH1BARG I 81 48.128 32.490 3.239 0.50 38.37 N ATOM 2549 NH2AARG I 81 46.693 38.119 3.260 0.50 13.98 N ATOM 2550 NH2BARG I 81 48.982 32.505 1.123 0.50 38.54 N ATOM 2551 N VAL I 82 42.984 32.343 4.665 1.00 15.89 N ATOM 2552 CA VAL I 82 42.708 32.780 6.023 1.00 15.38 C ATOM 2553 C VAL I 82 43.603 33.995 6.356 1.00 15.93 C ATOM 2554 O VAL I 82 44.750 34.074 5.872 1.00 17.41 O ATOM 2555 CB VAL I 82 42.990 31.622 7.007 1.00 16.33 C ATOM 2556 CG1AVAL I 82 43.172 32.110 8.421 0.50 15.95 C ATOM 2557 CG1BVAL I 82 42.117 30.400 6.654 0.50 15.80 C ATOM 2558 CG2AVAL I 82 41.850 30.569 6.931 0.50 15.10 C ATOM 2559 CG2BVAL I 82 44.449 31.248 7.029 0.50 16.54 C ATOM 2560 N GLY I 83 43.083 34.899 7.178 1.00 16.45 N ATOM 2561 CA GLY I 83 43.908 36.020 7.657 1.00 17.20 C ATOM 2562 C GLY I 83 43.175 37.330 7.757 1.00 17.55 C ATOM 2563 O GLY I 83 43.674 38.309 8.406 1.00 16.83 O ATOM 2564 OXT GLY I 83 42.057 37.523 7.217 1.00 16.46 O TER 2565 GLY I 83 HETATM 2566 CA CA E1001 50.572 54.904 29.062 1.00 16.35 CA HETATM 2567 NA NA E1002 59.672 49.476 -0.467 1.00 16.65 NA HETATM 2568 C1 CIT E2001 74.171 68.264 9.252 1.00 17.90 C HETATM 2569 O1 CIT E2001 75.323 67.826 9.128 1.00 17.21 O HETATM 2570 O2 CIT E2001 73.599 68.816 8.272 1.00 21.29 O HETATM 2571 C2 CIT E2001 73.456 68.195 10.593 1.00 13.15 C HETATM 2572 C3 CIT E2001 74.212 67.456 11.766 1.00 20.10 C HETATM 2573 O7 CIT E2001 75.682 67.781 12.233 1.00 16.34 O HETATM 2574 C4 CIT E2001 73.018 67.259 12.780 1.00 14.78 C HETATM 2575 C5 CIT E2001 73.100 66.061 13.733 1.00 16.75 C HETATM 2576 O3 CIT E2001 74.199 65.505 13.920 1.00 16.29 O HETATM 2577 O4 CIT E2001 72.054 65.652 14.308 1.00 13.46 O HETATM 2578 C6 CIT E2001 74.603 66.205 11.279 1.00 27.10 C HETATM 2579 O5 CIT E2001 75.848 65.925 11.452 1.00 14.38 O HETATM 2580 O6 CIT E2001 73.615 65.616 10.790 1.00 16.23 O HETATM 2581 C1 CIT E2002 74.309 62.839 7.023 1.00 35.83 C HETATM 2582 O1 CIT E2002 74.999 62.132 6.232 1.00 35.98 O HETATM 2583 O2 CIT E2002 73.761 63.896 6.583 1.00 32.79 O HETATM 2584 C2 CIT E2002 74.103 62.386 8.476 1.00 32.38 C HETATM 2585 C3 CIT E2002 75.337 62.538 9.387 1.00 30.96 C HETATM 2586 O7 CIT E2002 75.269 61.843 10.688 1.00 30.63 O HETATM 2587 C4 CIT E2002 76.647 62.912 8.654 1.00 22.95 C HETATM 2588 C5 CIT E2002 77.729 63.582 9.533 1.00 29.21 C HETATM 2589 O3 CIT E2002 77.971 63.329 10.757 1.00 24.78 O HETATM 2590 O4 CIT E2002 78.443 64.487 9.027 1.00 31.81 O HETATM 2591 C6 CIT E2002 75.104 63.737 10.100 1.00 31.60 C HETATM 2592 O5 CIT E2002 74.853 63.622 11.356 1.00 18.62 O HETATM 2593 O6 CIT E2002 75.236 64.718 9.347 1.00 20.38 O HETATM 2594 C1 CIT E2003 32.773 50.640 29.919 1.00 39.92 C HETATM 2595 O1 CIT E2003 32.827 51.102 31.075 1.00 33.99 O HETATM 2596 O2 CIT E2003 33.246 49.491 29.647 1.00 41.03 O HETATM 2597 C2 CIT E2003 32.150 51.507 28.858 1.00 40.80 C HETATM 2598 C3 CIT E2003 33.241 52.327 28.166 1.00 43.08 C HETATM 2599 O7 CIT E2003 34.075 51.386 27.417 1.00 43.04 O HETATM 2600 C4 CIT E2003 32.528 53.248 27.169 1.00 42.70 C HETATM 2601 C5 CIT E2003 33.453 54.267 26.554 1.00 44.44 C HETATM 2602 O3 CIT E2003 34.707 54.146 26.666 1.00 42.36 O HETATM 2603 O4 CIT E2003 32.952 55.241 25.931 1.00 44.96 O HETATM 2604 C6 CIT E2003 34.110 53.135 29.172 1.00 44.64 C HETATM 2605 O5 CIT E2003 35.160 52.621 29.680 1.00 44.20 O HETATM 2606 O6 CIT E2003 33.816 54.334 29.487 1.00 43.61 O HETATM 2607 OXT 15P E5001 57.208 66.125 27.823 1.00 49.08 O HETATM 2608 C1 15P E5001 58.252 65.921 26.876 1.00 46.24 C HETATM 2609 C2 15P E5001 59.522 65.507 27.615 1.00 44.73 C HETATM 2610 O1 15P E5001 59.236 64.581 28.675 1.00 41.93 O HETATM 2611 C3 15P E5001 60.289 64.397 29.647 1.00 33.84 C HETATM 2612 C4 15P E5001 61.300 63.388 29.109 1.00 26.85 C HETATM 2613 O2 15P E5001 60.718 62.059 29.084 1.00 20.27 O HETATM 2614 C5 15P E5001 61.779 61.121 28.790 1.00 19.17 C HETATM 2615 C6 15P E5001 61.100 59.762 28.838 1.00 17.90 C HETATM 2616 O3 15P E5001 60.889 59.473 30.217 1.00 18.80 O HETATM 2617 C7 15P E5001 60.668 58.087 30.385 1.00 18.58 C HETATM 2618 OXT 15P E5002 61.975 69.269 4.732 1.00 48.21 O HETATM 2619 C1 15P E5002 61.825 69.244 6.155 1.00 44.55 C HETATM 2620 C2 15P E5002 60.997 68.029 6.585 1.00 40.43 C HETATM 2621 O1 15P E5002 60.005 67.713 5.613 1.00 37.20 O HETATM 2622 C3 15P E5002 58.839 67.240 6.260 1.00 37.00 C HETATM 2623 C4 15P E5002 57.768 66.842 5.263 1.00 35.12 C HETATM 2624 O2 15P E5002 57.158 68.020 4.751 1.00 32.04 O HETATM 2625 C5 15P E5002 56.170 67.790 3.749 1.00 36.76 C HETATM 2626 C6 15P E5002 55.879 69.118 3.070 1.00 38.48 C HETATM 2627 O3 15P E5002 57.008 69.485 2.270 1.00 42.03 O HETATM 2628 C7 15P E5002 56.792 70.640 1.443 1.00 44.92 C HETATM 2629 C8 15P E5002 57.881 70.732 0.369 1.00 47.39 C HETATM 2630 O4 15P E5002 59.152 70.435 0.962 1.00 49.78 O HETATM 2631 C9 15P E5002 60.282 70.824 0.181 1.00 50.74 C HETATM 2632 C10 15P E5002 61.451 70.998 1.151 1.00 52.74 C HETATM 2633 O5 15P E5002 61.533 69.835 1.994 1.00 53.80 O HETATM 2634 OXT 15P E5003 36.945 66.659 20.063 1.00 65.35 O HETATM 2635 C1 15P E5003 38.069 66.294 20.850 1.00 64.78 C HETATM 2636 C2 15P E5003 38.986 65.406 20.018 1.00 63.31 C HETATM 2637 O1 15P E5003 39.178 65.988 18.725 1.00 60.91 O HETATM 2638 C3 15P E5003 40.336 65.487 18.056 1.00 58.06 C HETATM 2639 C4 15P E5003 41.564 66.358 18.289 1.00 57.39 C HETATM 2640 O2 15P E5003 41.346 67.683 17.828 1.00 56.31 O HETATM 2641 C5 15P E5003 42.568 68.368 17.561 1.00 55.83 C HETATM 2642 C6 15P E5003 42.408 69.272 16.335 1.00 56.84 C HETATM 2643 O3 15P E5003 41.652 68.637 15.292 1.00 56.43 O HETATM 2644 C7 15P E5003 41.538 69.428 14.102 1.00 56.46 C HETATM 2645 C8 15P E5003 40.084 69.480 13.627 1.00 56.78 C HETATM 2646 O4 15P E5003 39.902 68.546 12.561 1.00 57.60 O HETATM 2647 O HOH E5004 52.776 42.934 23.420 1.00 11.78 O HETATM 2648 O HOH E5005 49.958 47.992 16.262 1.00 11.83 O HETATM 2649 O HOH E5006 52.354 48.420 21.119 1.00 10.85 O HETATM 2650 O HOH E5007 54.766 44.221 21.914 1.00 11.55 O HETATM 2651 O HOH E5008 49.804 63.924 19.721 1.00 15.80 O HETATM 2652 O HOH E5009 61.408 64.116 22.544 1.00 12.54 O HETATM 2653 O HOH E5010 48.413 52.888 9.280 1.00 12.74 O HETATM 2654 O HOH E5011 66.675 45.948 18.545 1.00 12.54 O HETATM 2655 O HOH E5012 67.778 49.903 13.191 1.00 11.72 O HETATM 2656 O HOH E5013 60.845 63.507 7.806 1.00 14.85 O HETATM 2657 O HOH E5014 52.372 50.718 22.664 1.00 11.45 O HETATM 2658 O HOH E5015 49.458 59.936 21.846 1.00 13.31 O HETATM 2659 O HOH E5016 53.513 61.060 26.569 1.00 12.56 O HETATM 2660 O HOH E5017 66.631 49.835 25.424 1.00 17.89 O HETATM 2661 O HOH E5018 58.843 45.302 27.984 1.00 16.44 O HETATM 2662 O HOH E5019 71.454 46.169 15.955 1.00 12.75 O HETATM 2663 O HOH E5020 54.802 46.899 21.154 1.00 10.81 O HETATM 2664 O HOH E5021 51.602 61.833 22.030 1.00 13.78 O HETATM 2665 O HOH E5022 68.657 44.014 18.557 1.00 19.00 O HETATM 2666 O HOH E5023 61.043 53.693 28.601 1.00 16.02 O HETATM 2667 O HOH E5024 54.694 66.525 19.797 1.00 16.89 O HETATM 2668 O HOH E5025 42.884 53.157 30.374 1.00 14.57 O HETATM 2669 O HOH E5026 43.818 56.657 11.173 1.00 14.46 O HETATM 2670 O HOH E5027 56.386 46.853 31.759 1.00 15.88 O HETATM 2671 O HOH E5028 70.872 51.824 3.805 1.00 16.75 O HETATM 2672 O HOH E5029 60.234 56.128 3.078 1.00 15.12 O HETATM 2673 O HOH E5030 67.653 63.966 1.371 1.00 15.67 O HETATM 2674 O HOH E5031 69.898 67.407 14.344 1.00 15.20 O HETATM 2675 O HOH E5032 51.922 47.757 1.931 1.00 16.15 O HETATM 2676 O HOH E5033 53.958 42.620 25.950 1.00 17.08 O HETATM 2677 O HOH E5034 62.222 57.654 4.436 1.00 15.47 O HETATM 2678 O HOH E5035 61.180 48.258 1.176 1.00 17.34 O HETATM 2679 O HOH E5036 42.958 51.171 32.292 1.00 19.18 O HETATM 2680 O HOH E5037 64.597 60.456 0.612 1.00 20.74 O HETATM 2681 O HOH E5038 62.720 56.581 0.602 1.00 18.72 O HETATM 2682 O HOH E5039 71.225 56.558 20.588 1.00 17.01 O HETATM 2683 O HOH E5040 36.539 44.329 27.285 1.00 18.18 O HETATM 2684 O HOH E5041 74.597 55.591 8.070 1.00 17.52 O HETATM 2685 O HOH E5042 40.218 44.070 24.611 1.00 16.12 O HETATM 2686 O HOH E5043 70.419 41.906 4.883 1.00 21.21 O HETATM 2687 O HOH E5044 36.611 53.370 11.101 1.00 26.81 O HETATM 2688 O HOH E5045 66.346 54.318 32.743 1.00 21.40 O HETATM 2689 O HOH E5046 56.257 61.249 26.506 1.00 20.98 O HETATM 2690 O HOH E5047 56.250 48.963 33.494 1.00 16.83 O HETATM 2691 O HOH E5048 75.161 52.560 15.552 1.00 18.95 O HETATM 2692 O HOH E5049 68.538 39.697 8.148 1.00 19.79 O HETATM 2693 O HOH E5050 51.263 45.142 1.566 1.00 21.91 O HETATM 2694 O HOH E5051 49.364 67.471 -1.225 1.00 23.43 O HETATM 2695 O HOH E5052 68.241 56.157 2.421 1.00 18.32 O HETATM 2696 O HOH E5053 71.644 54.006 2.555 1.00 20.55 O HETATM 2697 O HOH E5054 63.240 65.269 5.455 1.00 14.05 O HETATM 2698 O HOH E5055 70.480 63.114 3.577 1.00 25.57 O HETATM 2699 O HOH E5056 59.151 54.172 -5.489 1.00 18.64 O HETATM 2700 O HOH E5057 55.299 61.974 -7.688 1.00 24.08 O HETATM 2701 O HOH E5058 73.226 39.573 13.625 1.00 22.33 O HETATM 2702 O HOH E5059 72.349 48.981 20.583 1.00 19.87 O HETATM 2703 O HOH E5060 38.362 55.419 24.341 1.00 23.35 O HETATM 2704 O HOH E5061 36.244 55.374 18.169 1.00 22.72 O HETATM 2705 O HOH E5062 63.860 58.405 2.201 1.00 19.30 O HETATM 2706 O HOH E5063 72.285 64.935 4.369 1.00 22.01 O HETATM 2707 O HOH E5064 67.969 53.493 1.738 1.00 20.83 O HETATM 2708 O HOH E5065 37.581 57.746 27.588 1.00 24.18 O HETATM 2709 O HOH E5066 39.525 45.123 9.395 1.00 30.81 O HETATM 2710 O HOH E5067 53.151 47.457 35.066 1.00 25.03 O HETATM 2711 O HOH E5068 63.697 62.394 -1.019 1.00 22.58 O HETATM 2712 O HOH E5069 60.543 59.927 -4.225 1.00 21.48 O HETATM 2713 O HOH E5070 77.965 54.128 17.248 1.00 40.25 O HETATM 2714 O HOH E5071 48.312 58.558 34.264 1.00 26.33 O HETATM 2715 O HOH E5072 67.648 41.455 19.240 1.00 25.91 O HETATM 2716 O HOH E5073 58.904 37.921 6.244 1.00 16.66 O HETATM 2717 O HOH E5074 46.817 53.121 36.981 1.00 28.09 O HETATM 2718 O HOH E5075 50.462 62.420 -6.084 1.00 28.36 O HETATM 2719 O HOH E5076 61.113 63.754 25.743 1.00 20.38 O HETATM 2720 O HOH E5077 65.150 41.925 1.259 1.00 26.45 O HETATM 2721 O HOH E5078 73.863 42.088 12.599 1.00 22.11 O HETATM 2722 O HOH E5079 57.943 33.304 -1.610 1.00 28.73 O HETATM 2723 O HOH E5080 46.191 50.655 33.263 1.00 25.44 O HETATM 2724 O HOH E5081 55.023 44.076 29.338 1.00 28.25 O HETATM 2725 O HOH E5082 70.151 55.303 27.026 1.00 26.34 O HETATM 2726 O HOH E5083 66.142 43.247 21.489 1.00 28.57 O HETATM 2727 O HOH E5084 61.211 42.672 24.820 1.00 26.35 O HETATM 2728 O HOH E5085 72.296 65.702 8.237 1.00 30.13 O HETATM 2729 O HOH E5086 47.985 60.884 30.404 1.00 26.93 O HETATM 2730 O HOH E5087 55.887 37.087 20.449 1.00 25.68 O HETATM 2731 O HOH E5088 69.294 49.125 24.900 1.00 26.31 O HETATM 2732 O HOH E5089 66.233 57.155 1.241 1.00 24.86 O HETATM 2733 O HOH E5090 51.344 45.523 27.825 1.00 32.13 O HETATM 2734 O HOH E5091 57.294 68.916 9.354 1.00 26.34 O HETATM 2735 O HOH E5092 63.796 56.506 31.333 1.00 22.77 O HETATM 2736 O HOH E5093 63.912 48.373 0.771 1.00 23.86 O HETATM 2737 O HOH E5094 47.072 55.225 -11.853 1.00 28.24 O HETATM 2738 O HOH E5095 67.111 50.727 28.058 1.00 29.22 O HETATM 2739 O HOH E5096 65.117 47.618 25.708 1.00 21.84 O HETATM 2740 O HOH E5097 40.058 54.526 -6.397 1.00 27.58 O HETATM 2741 O HOH E5098 35.673 44.651 24.609 1.00 22.87 O HETATM 2742 O HOH E5099 56.025 57.903 -9.505 1.00 28.73 O HETATM 2743 O HOH E5100 63.047 66.149 21.567 1.00 23.30 O HETATM 2744 O HOH E5101 44.480 68.737 11.803 1.00 30.08 O HETATM 2745 O HOH E5102 44.846 54.466 -8.362 1.00 28.34 O HETATM 2746 O HOH E5103 48.231 36.890 21.003 1.00 41.28 O HETATM 2747 O HOH E5104 48.964 60.682 -7.450 1.00 23.35 O HETATM 2748 O HOH E5105 51.577 64.235 23.708 1.00 26.59 O HETATM 2749 O HOH E5106 44.924 45.950 -4.508 1.00 54.33 O HETATM 2750 O HOH E5107 59.307 69.144 3.386 1.00 19.31 O HETATM 2751 O HOH E5108 71.909 60.607 4.432 1.00 27.79 O HETATM 2752 O HOH E5109 43.105 62.965 21.975 1.00 25.90 O HETATM 2753 O HOH E5110 66.161 49.865 1.227 1.00 28.55 O HETATM 2754 O HOH E5111 71.665 54.787 24.859 1.00 33.15 O HETATM 2755 O HOH E5112 64.629 64.297 1.061 1.00 28.15 O HETATM 2756 O HOH E5113 32.909 50.144 5.854 1.00 31.31 O HETATM 2757 O HOH E5114 38.411 60.834 -0.548 1.00 26.77 O HETATM 2758 O HOH E5115 57.804 55.436 31.659 1.00 17.95 O HETATM 2759 O HOH E5116 53.816 56.922 -10.953 1.00 24.31 O HETATM 2760 O HOH E5117 74.020 54.561 4.039 1.00 16.45 O HETATM 2761 O HOH E5118 64.993 45.953 0.684 1.00 30.58 O HETATM 2762 O HOH E5119 78.449 68.501 12.727 1.00 24.46 O HETATM 2763 O HOH E5120 35.208 55.670 22.253 1.00 33.12 O HETATM 2764 O HOH E5121 40.248 51.158 -5.351 1.00 31.75 O HETATM 2765 O HOH E5122 33.006 47.493 31.068 1.00 21.73 O HETATM 2766 O HOH E5123 58.795 45.810 30.971 1.00 24.01 O HETATM 2767 O HOH E5124 38.063 44.813 23.151 1.00 25.26 O HETATM 2768 O HOH E5125 37.897 65.533 7.644 1.00 27.17 O HETATM 2769 O HOH E5126 74.074 51.237 20.154 1.00 28.21 O HETATM 2770 O HOH E5127 75.628 51.276 17.812 1.00 26.78 O HETATM 2771 O HOH E5128 34.941 62.287 4.670 1.00 32.78 O HETATM 2772 O HOH E5129 43.678 65.338 0.239 1.00 30.39 O HETATM 2773 O HOH E5130 67.922 52.860 29.273 1.00 20.77 O HETATM 2774 O HOH E5131 32.171 52.886 5.985 1.00 37.25 O HETATM 2775 O HOH E5132 49.760 66.702 20.667 1.00 28.72 O HETATM 2776 O HOH E5133 45.159 61.191 28.955 1.00 28.74 O HETATM 2777 O HOH E5134 35.932 58.193 19.329 1.00 28.19 O HETATM 2778 O HOH E5135 37.573 47.821 21.598 1.00 32.53 O HETATM 2779 O HOH E5136 60.670 48.173 -2.261 1.00 21.87 O HETATM 2780 O HOH E5137 44.895 70.388 4.210 1.00 30.85 O HETATM 2781 O HOH E5138 32.969 58.988 10.948 1.00 46.87 O HETATM 2782 O HOH E5139 52.201 50.594 -9.564 1.00 28.07 O HETATM 2783 O HOH E5140 66.864 32.551 6.802 1.00 38.46 O HETATM 2784 O HOH E5141 69.286 67.841 23.973 1.00 32.32 O HETATM 2785 O HOH E5142 35.409 65.522 7.423 1.00 30.78 O HETATM 2786 O HOH E5143 35.170 51.063 3.328 1.00 34.87 O HETATM 2787 O HOH E5144 76.370 59.179 18.733 1.00 27.17 O HETATM 2788 O HOH E5145 70.743 50.459 1.434 1.00 34.38 O HETATM 2789 O HOH E5146 61.808 67.311 17.153 1.00 33.63 O HETATM 2790 O HOH E5147 35.193 46.658 31.238 1.00 36.54 O HETATM 2791 O HOH E5148 49.696 42.855 1.016 1.00 22.24 O HETATM 2792 O HOH E5149 61.607 48.328 28.935 1.00 23.68 O HETATM 2793 O HOH E5150 45.780 38.109 19.329 1.00 32.98 O HETATM 2794 O HOH E5151 49.207 42.039 -1.424 1.00 29.56 O HETATM 2795 O HOH E5152 32.481 55.771 2.283 1.00 36.42 O HETATM 2796 O HOH E5153 55.857 60.749 -9.911 1.00 29.55 O HETATM 2797 O HOH E5154 36.475 63.039 24.357 1.00 29.94 O HETATM 2798 O HOH E5155 30.929 48.480 7.171 1.00 42.63 O HETATM 2799 O HOH E5156 48.513 40.852 2.632 1.00 21.42 O HETATM 2800 O HOH E5157 51.843 39.653 24.305 1.00 32.34 O HETATM 2801 O HOH E5158 54.317 54.726 -12.456 1.00 36.06 O HETATM 2802 O HOH E5159 67.111 43.954 2.460 1.00 36.85 O HETATM 2803 O HOH E5160 69.736 43.049 2.404 1.00 32.11 O HETATM 2804 O HOH E5161 38.906 44.181 18.808 1.00 31.83 O HETATM 2805 O HOH E5162 62.304 68.092 -0.145 1.00 30.88 O HETATM 2806 O HOH E5163 61.357 65.820 9.465 1.00 25.56 O HETATM 2807 O HOH E5164 50.854 69.817 -1.062 1.00 31.25 O HETATM 2808 O HOH E5165 61.442 40.389 23.418 1.00 28.92 O HETATM 2809 O HOH E5166 57.821 40.904 -8.211 1.00 43.11 O HETATM 2810 O HOH E5167 52.118 62.835 27.857 1.00 35.79 O HETATM 2811 O HOH E5168 55.883 28.637 -0.312 1.00 35.75 O HETATM 2812 O HOH E5169 59.532 58.813 -8.790 1.00 36.00 O HETATM 2813 O HOH E5170 63.596 65.865 8.228 1.00 30.05 O HETATM 2814 O HOH E5171 54.087 61.259 -11.930 1.00 30.21 O HETATM 2815 O HOH E5172 50.937 68.390 19.086 1.00 31.46 O HETATM 2816 O HOH E5173 61.077 47.090 31.259 1.00 28.45 O HETATM 2817 O HOH E5174 57.651 68.646 13.044 1.00 30.16 O HETATM 2818 O HOH E5175 51.128 32.183 5.560 1.00 32.16 O HETATM 2819 O HOH E5176 60.275 41.088 -6.825 1.00 34.54 O HETATM 2820 O HOH E5177 49.133 39.495 25.277 1.00 40.42 O HETATM 2821 O HOH E5178 59.700 42.723 27.704 1.00 37.81 O HETATM 2822 O HOH E5179 33.266 53.047 3.255 1.00 32.75 O HETATM 2823 O HOH E5180 63.673 43.316 24.929 1.00 37.09 O HETATM 2824 O HOH E5181 51.332 40.681 -2.384 1.00 30.04 O HETATM 2825 O HOH E5182 54.837 39.946 26.741 1.00 38.73 O HETATM 2826 O HOH E5183 70.788 37.504 3.055 1.00 34.32 O HETATM 2827 O HOH E5184 36.722 50.443 29.257 1.00 20.89 O HETATM 2828 O HOH E5185 56.155 30.583 6.250 1.00 31.12 O HETATM 2829 O HOH E5186 51.406 66.672 22.693 1.00 42.19 O HETATM 2830 O HOH E5187 55.496 33.046 18.018 1.00 40.34 O HETATM 2831 O HOH E5188 35.099 63.573 17.731 1.00 41.47 O HETATM 2832 O HOH E5189 80.115 52.625 12.956 1.00 37.22 O HETATM 2833 O HOH E5190 71.059 52.904 27.758 1.00 39.93 O HETATM 2834 O HOH E5191 46.060 61.112 -7.764 1.00 35.86 O HETATM 2835 O HOH E5192 62.312 67.049 11.992 1.00 30.95 O HETATM 2836 O HOH E5193 46.866 40.469 -1.232 1.00 30.27 O HETATM 2837 O HOH E5194 50.124 70.162 10.707 1.00 34.26 O HETATM 2838 O HOH E5195 52.786 58.779 -12.639 1.00 34.83 O HETATM 2839 O HOH E5196 49.312 61.149 -10.061 1.00 31.69 O HETATM 2840 O HOH E5197 54.769 34.423 20.275 1.00 38.77 O HETATM 2841 O HOH E5198 57.117 38.301 25.486 1.00 35.30 O HETATM 2842 O HOH E5199 47.402 70.041 10.382 1.00 42.29 O HETATM 2843 O HOH E5200 58.691 47.679 -6.778 1.00 33.53 O HETATM 2844 O HOH E5201 49.847 59.035 -11.830 1.00 31.50 O HETATM 2845 O HOH E5202 63.435 65.790 26.842 1.00 38.82 O HETATM 2846 O HOH E5203 48.067 52.735 -13.037 1.00 41.80 O HETATM 2847 O HOH E5204 72.442 42.307 18.895 1.00 37.86 O HETATM 2848 O HOH E5205 63.084 31.682 9.584 1.00 35.43 O HETATM 2849 O HOH E5206 53.266 52.373 -11.664 1.00 43.06 O HETATM 2850 O HOH E5207 61.181 67.931 14.427 1.00 36.94 O HETATM 2851 O HOH E5208 34.999 51.045 17.401 1.00 35.50 O HETATM 2852 O HOH E5209 51.418 33.560 -0.695 1.00 40.25 O HETATM 2853 O HOH E5210 66.123 34.126 13.801 1.00 47.66 O HETATM 2854 O HOH E5211 34.051 57.532 25.025 1.00 32.28 O HETATM 2855 O HOH E5212 48.656 70.458 14.489 1.00 34.40 O HETATM 2856 O HOH E5213 64.289 47.589 28.204 1.00 32.82 O HETATM 2857 O HOH E5214 45.165 62.797 25.939 1.00 37.19 O HETATM 2858 O HOH E5215 36.195 50.516 0.206 1.00 40.39 O HETATM 2859 O HOH E5216 54.050 69.255 16.474 1.00 39.63 O HETATM 2860 O HOH E5217 55.140 41.126 -4.597 1.00 32.68 O HETATM 2861 O HOH E5218 47.941 48.813 37.156 1.00 34.31 O HETATM 2862 O HOH E5219 54.398 32.278 12.994 1.00 34.80 O HETATM 2863 O HOH E5220 53.493 43.351 -8.863 1.00 40.05 O HETATM 2864 O HOH E5221 70.884 39.221 5.904 1.00 39.89 O HETATM 2865 O HOH E5222 66.867 40.413 -0.659 1.00 34.26 O HETATM 2866 O HOH E5223 46.117 59.241 32.945 1.00 44.54 O HETATM 2867 O HOH E5224 59.346 31.500 17.708 1.00 32.66 O HETATM 2868 O HOH E5225 57.877 50.030 -8.370 1.00 35.71 O HETATM 2869 O HOH E5226 74.472 61.675 3.750 1.00 38.67 O HETATM 2870 O HOH E5227 51.912 34.450 20.607 1.00 43.65 O HETATM 2871 O HOH E5228 64.042 66.242 24.282 1.00 41.45 O HETATM 2872 O HOH E5229 60.378 31.444 8.310 1.00 35.67 O HETATM 2873 O HOH E5230 61.079 54.110 -7.809 1.00 38.05 O HETATM 2874 O HOH E5231 64.599 66.961 3.778 1.00 27.69 O HETATM 2875 O HOH E5232 71.029 40.597 0.837 1.00 41.16 O HETATM 2876 O HOH E5233 45.903 58.551 36.068 1.00 32.42 O HETATM 2877 O HOH E5234 71.164 44.343 19.893 1.00 43.44 O HETATM 2878 O HOH E5235 64.074 67.803 19.146 1.00 38.99 O HETATM 2879 O HOH E5236 47.408 68.246 20.652 1.00 43.62 O HETATM 2880 O HOH E5237 45.601 70.091 14.384 1.00 33.78 O HETATM 2881 O HOH E5238 51.772 63.744 -8.041 1.00 37.66 O HETATM 2882 O HOH E5239 47.398 64.260 26.997 1.00 34.52 O HETATM 2883 O HOH E5240 41.263 68.576 8.975 1.00 37.31 O HETATM 2884 O HOH E5241 57.914 70.690 7.090 1.00 44.91 O HETATM 2885 O HOH E5242 50.403 47.007 34.979 1.00 43.13 O HETATM 2886 O HOH E5243 50.979 69.945 -4.176 1.00 37.05 O HETATM 2887 O HOH E5244 72.775 37.211 9.358 1.00 44.74 O HETATM 2888 O HOH E5245 44.472 71.190 7.654 1.00 34.25 O HETATM 2889 O HOH E5246 72.411 50.580 26.885 1.00 46.39 O HETATM 2890 O HOH E5247 51.802 31.736 2.117 1.00 45.39 O HETATM 2891 O HOH E5248 62.964 45.120 31.478 1.00 35.28 O HETATM 2892 O HOH E5249 59.905 30.509 0.066 1.00 36.10 O HETATM 2893 O HOH E5250 34.206 53.352 18.632 1.00 40.00 O HETATM 2894 O HOH E5251 63.116 47.829 -3.066 1.00 39.35 O HETATM 2895 O HOH E5252 46.534 69.817 18.409 1.00 43.17 O HETATM 2896 O HOH E5253 55.360 68.749 -2.293 1.00 37.18 O HETATM 2897 O HOH E5254 45.253 67.847 0.728 1.00 37.79 O HETATM 2898 O HOH E5255 29.903 60.508 8.624 1.00 41.65 O HETATM 2899 O HOH E5256 73.299 59.025 24.573 1.00 43.84 O HETATM 2900 O HOH E5257 51.753 62.866 -10.606 1.00 35.90 O HETATM 2901 O HOH E5258 46.529 68.649 -1.451 1.00 33.64 O HETATM 2902 O HOH E5259 43.861 59.454 -7.414 1.00 41.24 O HETATM 2903 O HOH E5260 54.712 45.145 33.138 1.00 45.33 O HETATM 2904 O HOH E5261 47.709 57.853 -13.162 1.00 42.17 O HETATM 2905 O HOH E5262 70.405 64.177 7.303 1.00 15.66 O HETATM 2906 O HOH E5263 49.759 62.734 29.449 1.00 42.24 O HETATM 2907 O HOH E5264 49.837 73.106 2.475 1.00 45.59 O HETATM 2908 O HOH E5265 42.837 60.619 -5.375 1.00 36.33 O HETATM 2909 O HOH E5266 49.744 35.141 17.973 1.00 42.28 O HETATM 2910 O HOH E5267 57.249 33.185 14.358 1.00 41.33 O HETATM 2911 O HOH E5268 72.816 46.296 21.168 1.00 46.69 O HETATM 2912 O HOH E5269 68.072 36.756 17.608 1.00 41.34 O HETATM 2913 O HOH E5270 46.890 63.246 -6.020 1.00 48.18 O HETATM 2914 O HOH E5271 52.019 41.770 -4.572 1.00 45.94 O HETATM 2915 O HOH E5272 50.253 35.109 14.927 1.00 49.10 O HETATM 2916 O HOH E5273 36.315 56.023 25.697 1.00 39.95 O HETATM 2917 O HOH E5274 64.205 32.510 -2.586 1.00 46.64 O HETATM 2918 O HOH E5275 78.539 45.473 16.573 1.00 49.83 O HETATM 2919 O HOH E5276 50.362 31.768 8.486 1.00 47.16 O HETATM 2920 O HOH E5277 52.486 43.756 27.894 1.00 33.01 O HETATM 2921 O HOH E5278 47.752 33.854 14.222 1.00 41.62 O HETATM 2922 O HOH E5279 64.928 68.073 8.897 1.00 42.68 O HETATM 2923 O HOH E5280 60.168 58.113 -11.386 1.00 37.93 O HETATM 2924 O HOH E5281 42.763 60.977 24.626 0.50 15.80 O HETATM 2925 O HOH E5282 35.784 49.526 -5.847 1.00 50.06 O HETATM 2926 O HOH E5283 43.325 56.602 -7.811 1.00 44.50 O HETATM 2927 O HOH E5284 58.772 43.102 31.993 1.00 42.72 O HETATM 2928 O HOH E5285 63.556 54.378 29.589 1.00 16.26 O HETATM 2929 O HOH E5286 76.541 42.509 18.568 1.00 37.41 O HETATM 2930 O HOH E5287 56.564 46.769 -8.740 1.00 41.53 O HETATM 2931 O HOH E5288 74.362 57.920 6.818 1.00 37.45 O HETATM 2932 O HOH E5289 59.329 37.912 -7.417 1.00 47.08 O HETATM 2933 O HOH E5290 60.276 44.918 -7.188 1.00 37.41 O HETATM 2934 O HOH E5291 58.303 29.827 -7.223 1.00 45.72 O HETATM 2935 O HOH E5292 31.860 45.438 4.212 1.00 52.94 O HETATM 2936 O HOH E5293 78.287 57.172 17.233 1.00 25.93 O HETATM 2937 O HOH E5294 67.345 45.537 25.507 1.00 41.05 O HETATM 2938 O HOH E5295 66.035 32.622 -0.645 1.00 50.08 O HETATM 2939 O HOH E5296 56.233 67.160 23.845 1.00 36.39 O HETATM 2940 O HOH E5297 53.379 54.746 -15.175 1.00 44.64 O HETATM 2941 O HOH E5298 77.182 61.298 19.085 0.50 22.92 O HETATM 2942 O HOH E5299 73.782 39.748 16.384 1.00 22.82 O HETATM 2943 O HOH E5300 34.818 57.943 -3.503 1.00 43.46 O HETATM 2944 O HOH E5301 75.269 58.961 10.031 1.00 38.91 O HETATM 2945 O HOH E5302 49.021 48.507 32.150 1.00 25.03 O HETATM 2946 O HOH E5303 32.890 46.370 28.781 1.00 37.12 O HETATM 2947 O HOH E5304 65.580 52.711 30.611 1.00 42.52 O HETATM 2948 O HOH E5305 31.513 63.175 2.225 1.00 38.88 O HETATM 2949 O HOH E5306 37.122 60.550 -2.973 1.00 39.64 O HETATM 2950 O HOH E5307 74.811 62.814 14.191 0.50 15.93 O HETATM 2951 O HOH E5308 60.339 51.320 -9.281 1.00 41.91 O HETATM 2952 O HOH E5309 49.321 70.365 17.656 1.00 49.84 O HETATM 2953 O HOH E5310 42.907 70.042 10.109 1.00 39.09 O HETATM 2954 O HOH E5311 55.767 70.000 15.324 1.00 40.25 O HETATM 2955 O HOH E5312 43.435 66.116 21.723 1.00 53.07 O HETATM 2956 O HOH E5313 73.977 60.163 22.168 1.00 44.72 O HETATM 2957 O HOH E5314 57.766 61.582 28.698 1.00 21.24 O HETATM 2958 O HOH E5315 44.739 55.116 -11.137 1.00 42.94 O HETATM 2959 O HOH E5316 65.872 48.939 29.527 1.00 44.57 O HETATM 2960 O HOH E5317 74.721 52.990 26.223 1.00 50.01 O HETATM 2961 O HOH E5318 77.287 66.791 8.699 1.00 38.80 O HETATM 2962 O HOH E5319 38.909 68.498 16.457 1.00 46.36 O HETATM 2963 O AHOH E5320 65.028 50.248 31.801 0.50 29.80 O HETATM 2964 O HOH E5321 80.153 62.121 16.799 1.00 44.60 O HETATM 2965 O HOH E5322 53.304 71.729 2.446 1.00 43.24 O HETATM 2966 O HOH E5323 80.244 59.186 17.822 1.00 54.43 O HETATM 2967 O HOH E5324 50.342 64.419 26.337 1.00 39.45 O HETATM 2968 O HOH E5325 41.494 61.350 25.509 0.50 23.12 O HETATM 2969 O HOH E5326 58.946 70.945 4.715 1.00 39.01 O HETATM 2970 O HOH E5327 56.311 28.897 4.197 1.00 45.93 O HETATM 2971 O HOH E5328 69.981 34.457 12.435 1.00 44.82 O HETATM 2972 O HOH E5329 57.799 58.352 -12.861 1.00 46.42 O HETATM 2973 O HOH E5330 49.654 72.191 -0.315 1.00 40.40 O HETATM 2974 O HOH E5331 61.526 37.789 -6.336 1.00 49.57 O HETATM 2975 O HOH E5332 30.152 53.052 9.762 1.00 53.53 O HETATM 2976 O HOH E5333 39.582 62.464 -5.108 1.00 45.51 O HETATM 2977 O HOH E5334 59.787 31.581 11.110 1.00 36.55 O HETATM 2978 O HOH E5335 36.079 49.028 18.252 1.00 43.55 O HETATM 2979 O HOH E5336 61.698 56.266 -10.906 1.00 43.79 O HETATM 2980 O HOH E5337 35.022 49.393 24.000 1.00 36.57 O HETATM 2981 O HOH E5338 50.137 59.792 34.987 1.00 41.69 O HETATM 2982 O HOH E5339 75.270 44.911 21.258 1.00 42.24 O HETATM 2983 O HOH E5340 38.051 55.674 -5.990 1.00 47.58 O HETATM 2984 O HOH E5341 73.609 48.909 25.132 1.00 50.46 O HETATM 2985 O HOH E5342 54.310 33.760 15.253 1.00 51.17 O HETATM 2986 O HOH E5343 81.270 56.459 17.323 1.00 48.42 O HETATM 2987 O HOH E5344 55.034 65.584 25.803 1.00 53.96 O HETATM 2988 O HOH E5345 48.919 56.767 -15.504 1.00 45.34 O HETATM 2989 O HOH E5346 49.314 34.498 -0.562 1.00 39.52 O HETATM 2990 O HOH E5347 46.852 44.709 27.893 1.00 55.60 O HETATM 2991 O HOH E5348 48.900 45.476 28.725 1.00 48.25 O HETATM 2992 O HOH E5349 64.453 45.114 29.091 1.00 43.77 O HETATM 2993 O HOH E5350 53.287 36.409 -5.240 1.00 39.67 O HETATM 2994 O HOH E5351 65.500 71.646 12.368 1.00 40.34 O HETATM 2995 O HOH E5352 56.206 63.537 30.117 1.00 42.01 O HETATM 2996 O HOH E5353 58.434 34.057 20.662 1.00 36.12 O HETATM 2997 O HOH E5354 64.011 71.962 14.468 1.00 46.18 O HETATM 2998 O HOH E5355 46.985 47.314 29.577 1.00 47.58 O HETATM 2999 O HOH E5356 62.117 67.133 28.677 1.00 40.37 O HETATM 3000 O HOH E5357 57.960 56.022 -11.383 1.00 50.62 O HETATM 3001 O HOH E5358 48.078 42.731 29.195 1.00 38.86 O HETATM 3002 O HOH E5359 47.133 62.976 29.293 1.00 34.47 O HETATM 3003 O HOH E5360 82.040 54.071 13.110 1.00 44.68 O HETATM 3004 O HOH E5361 53.956 68.393 21.667 1.00 42.17 O HETATM 3005 O HOH E5362 48.581 57.014 38.960 1.00 39.96 O HETATM 3006 O HOH E5363 55.238 37.008 23.096 1.00 48.02 O HETATM 3007 O HOH E5364 34.468 46.933 23.999 1.00 36.81 O HETATM 3008 O HOH E5365 67.911 47.010 -0.165 1.00 45.50 O HETATM 3009 O HOH E5366 71.312 35.648 14.101 1.00 51.58 O HETATM 3010 O HOH E5367 68.514 34.884 15.339 1.00 46.04 O HETATM 3011 O HOH E5368 68.179 50.305 -0.116 1.00 49.12 O HETATM 3012 O HOH E5369 32.260 50.600 16.430 1.00 50.90 O HETATM 3013 O HOH E5370 58.103 65.766 -6.639 1.00 45.45 O HETATM 3014 O HOH E5371 69.701 39.696 19.313 1.00 42.31 O HETATM 3015 O HOH E5372 45.051 60.085 30.757 1.00 39.14 O HETATM 3016 O HOH E5373 32.641 48.043 26.979 1.00 43.90 O HETATM 3017 O HOH E5374 57.241 41.763 28.238 1.00 46.92 O HETATM 3018 O HOH E5375 55.210 67.015 -7.264 1.00 44.35 O HETATM 3019 O HOH E5376 29.591 52.796 5.208 1.00 47.35 O HETATM 3020 O HOH E5377 78.729 48.123 19.423 1.00 53.09 O HETATM 3021 O HOH E5378 50.671 38.300 -3.556 1.00 46.58 O HETATM 3022 O HOH E5379 38.186 63.856 0.404 1.00 43.44 O HETATM 3023 O HOH E5380 56.129 50.475 -10.495 1.00 47.29 O HETATM 3024 O HOH E5381 43.935 65.217 -2.697 1.00 44.51 O HETATM 3025 O HOH E5382 70.470 42.953 22.718 1.00 45.66 O HETATM 3026 O HOH E5383 81.079 61.664 11.141 1.00 36.85 O HETATM 3027 O HOH E5384 78.225 60.534 11.520 1.00 43.11 O HETATM 3028 O HOH E5385 77.854 62.575 12.706 1.00 41.45 O HETATM 3029 O HOH E5386 35.173 44.758 29.461 1.00 42.74 O HETATM 3030 O HOH E5387 78.233 57.962 19.178 1.00 55.08 O HETATM 3031 O HOH E5388 45.481 37.618 -0.205 1.00 33.78 O HETATM 3032 O HOH E5389 44.496 38.240 16.572 1.00 35.80 O HETATM 3033 O HOH E5390 53.898 31.027 4.789 1.00 40.89 O HETATM 3034 O HOH I 84 29.908 29.132 -8.486 1.00 14.74 O HETATM 3035 O HOH I 85 27.338 22.938 3.283 1.00 14.08 O HETATM 3036 O HOH I 86 28.480 25.462 3.917 1.00 15.19 O HETATM 3037 O HOH I 87 26.535 30.585 0.031 1.00 16.62 O HETATM 3038 O HOH I 88 41.477 36.678 4.742 1.00 16.72 O HETATM 3039 O HOH I 89 39.370 36.302 -2.467 1.00 15.61 O HETATM 3040 O HOH I 90 41.457 36.126 1.409 1.00 18.20 O HETATM 3041 O HOH I 91 30.896 31.098 10.536 1.00 21.70 O HETATM 3042 O HOH I 92 30.853 25.581 -10.100 1.00 17.51 O HETATM 3043 O HOH I 93 45.917 39.026 6.756 1.00 18.42 O HETATM 3044 O HOH I 94 41.932 36.770 -1.270 1.00 21.82 O HETATM 3045 O HOH I 95 34.060 36.975 -13.656 1.00 22.35 O HETATM 3046 O HOH I 96 47.078 32.713 5.788 1.00 23.01 O HETATM 3047 O HOH I 97 45.128 35.616 -6.069 1.00 24.83 O HETATM 3048 O HOH I 98 27.117 30.207 2.742 1.00 26.62 O HETATM 3049 O HOH I 99 30.484 40.792 3.467 1.00 29.28 O HETATM 3050 O HOH I 100 25.054 22.345 1.711 1.00 22.67 O HETATM 3051 O HOH I 101 42.975 41.843 14.890 1.00 26.60 O HETATM 3052 O HOH I 102 25.728 20.684 -0.448 1.00 25.95 O HETATM 3053 O HOH I 103 43.340 38.599 4.108 1.00 34.57 O HETATM 3054 O HOH I 104 30.889 34.473 8.031 1.00 26.53 O HETATM 3055 O HOH I 105 37.421 42.557 9.057 1.00 29.59 O HETATM 3056 O HOH I 106 24.737 23.287 -3.532 1.00 27.19 O HETATM 3057 O HOH I 107 43.918 44.375 -0.482 1.00 24.88 O HETATM 3058 O HOH I 108 23.177 24.816 -0.230 1.00 33.57 O HETATM 3059 O HOH I 109 44.540 41.742 -0.499 1.00 25.49 O HETATM 3060 O HOH I 110 30.539 42.748 -7.199 1.00 28.85 O HETATM 3061 O HOH I 111 24.603 36.402 -2.487 1.00 27.44 O HETATM 3062 O HOH I 112 34.284 44.570 -7.608 1.00 31.03 O HETATM 3063 O HOH I 113 37.907 35.801 -11.492 1.00 36.23 O HETATM 3064 O HOH I 114 27.157 32.400 4.488 1.00 33.60 O HETATM 3065 O HOH I 115 34.440 22.133 1.189 1.00 31.94 O HETATM 3066 O HOH I 116 49.308 34.186 4.664 1.00 23.02 O HETATM 3067 O HOH I 117 28.893 27.365 10.113 1.00 28.98 O HETATM 3068 O HOH I 118 37.584 29.463 12.283 1.00 37.46 O HETATM 3069 O HOH I 119 38.425 43.562 6.098 1.00 33.36 O HETATM 3070 O HOH I 120 29.581 42.173 -3.513 1.00 34.75 O HETATM 3071 O HOH I 121 37.659 38.323 -12.408 1.00 34.24 O HETATM 3072 O HOH I 122 25.028 32.935 -0.099 1.00 40.93 O HETATM 3073 O HOH I 123 29.356 33.957 5.237 1.00 36.31 O HETATM 3074 O HOH I 124 38.515 21.301 7.500 1.00 26.81 O HETATM 3075 O HOH I 125 32.096 21.933 -7.392 1.00 39.77 O HETATM 3076 O HOH I 126 37.874 25.215 11.457 1.00 29.46 O HETATM 3077 O HOH I 127 40.727 45.349 13.045 1.00 36.83 O HETATM 3078 O HOH I 128 44.985 35.984 14.653 1.00 40.67 O HETATM 3079 O HOH I 129 43.582 29.708 -8.555 1.00 32.42 O HETATM 3080 O HOH I 130 35.631 43.774 -12.053 1.00 39.03 O HETATM 3081 O HOH I 131 27.812 42.516 -8.427 1.00 38.74 O HETATM 3082 O HOH I 132 28.284 31.712 9.394 1.00 37.92 O HETATM 3083 O HOH I 133 42.432 42.899 -3.994 1.00 33.17 O HETATM 3084 O HOH I 134 44.007 40.762 2.033 1.00 26.59 O HETATM 3085 O HOH I 135 31.726 43.955 -3.085 1.00 35.80 O HETATM 3086 O HOH I 136 37.997 38.495 14.227 0.50 30.06 O HETATM 3087 O HOH I 137 34.751 33.061 -13.924 1.00 33.61 O HETATM 3088 O HOH I 138 45.160 41.879 6.437 1.00 17.57 O HETATM 3089 O HOH I 139 28.251 19.829 -0.390 1.00 43.95 O HETATM 3090 O HOH I 140 45.545 35.141 -1.521 1.00 29.05 O HETATM 3091 O HOH I 141 27.253 24.194 -4.306 1.00 23.81 O HETATM 3092 O HOH I 142 37.608 22.405 -0.047 1.00 29.85 O HETATM 3093 O HOH I 143 36.320 45.973 -8.039 1.00 35.89 O HETATM 3094 O HOH I 144 31.815 44.788 -0.484 1.00 53.60 O HETATM 3095 O HOH I 145 31.117 23.111 -4.562 1.00 37.24 O HETATM 3096 O HOH I 146 31.471 20.906 -1.604 1.00 41.37 O HETATM 3097 O HOH I 147 29.032 22.896 -2.856 1.00 43.74 O HETATM 3098 O HOH I 148 39.580 25.892 13.418 1.00 36.81 O HETATM 3099 O HOH I 149 26.981 39.451 -2.745 1.00 36.17 O HETATM 3100 O HOH I 150 26.325 35.616 -0.637 1.00 44.39 O HETATM 3101 O HOH I 151 37.331 23.154 -2.574 1.00 37.84 O HETATM 3102 O HOH I 152 39.517 25.119 9.107 1.00 38.93 O HETATM 3103 O HOH I 153 44.733 24.424 -0.395 1.00 35.50 O HETATM 3104 O HOH I 154 38.395 42.321 -11.900 1.00 43.75 O HETATM 3105 O HOH I 155 27.603 43.729 -12.540 1.00 31.43 O HETATM 3106 O HOH I 156 38.998 41.318 17.394 1.00 40.52 O HETATM 3107 O HOH I 157 28.634 43.167 -17.540 1.00 38.22 O HETATM 3108 O HOH I 158 40.461 28.319 -9.966 1.00 42.22 O HETATM 3109 O HOH I 159 38.489 48.540 -6.436 1.00 39.72 O HETATM 3110 O HOH I 160 43.745 51.726 -8.795 1.00 41.17 O HETATM 3111 O HOH I 161 29.245 36.738 4.801 1.00 46.56 O HETATM 3112 O HOH I 162 41.349 40.367 16.752 1.00 36.41 O HETATM 3113 O HOH I 163 30.322 32.199 12.819 1.00 40.41 O HETATM 3114 O HOH I 164 45.126 40.121 15.024 1.00 22.99 O HETATM 3115 O HOH I 165 36.662 28.608 -11.721 1.00 40.31 O HETATM 3116 O HOH I 166 35.544 26.274 14.672 1.00 50.39 O HETATM 3117 O HOH I 167 35.205 32.373 14.463 1.00 41.31 O HETATM 3118 O HOH I 168 36.108 24.989 -7.237 1.00 42.23 O HETATM 3119 O HOH I 169 35.988 26.903 11.871 1.00 23.35 O HETATM 3120 O HOH I 170 45.884 25.308 2.577 1.00 35.27 O HETATM 3121 O HOH I 171 46.588 36.085 -3.523 1.00 42.75 O HETATM 3122 O HOH I 172 47.513 30.366 4.431 1.00 42.77 O HETATM 3123 O HOH I 173 43.069 49.219 -7.896 1.00 46.06 O HETATM 3124 O HOH I 174 40.697 43.060 13.219 0.50 26.14 O HETATM 3125 O HOH I 175 47.189 28.745 -2.493 1.00 39.19 O HETATM 3126 O HOH I 176 41.504 28.063 9.795 1.00 41.02 O HETATM 3127 O HOH I 177 36.180 39.183 10.980 1.00 40.26 O HETATM 3128 O HOH I 178 47.807 25.409 5.215 1.00 54.65 O HETATM 3129 O HOH I 179 41.194 35.250 15.136 1.00 44.88 O HETATM 3130 O HOH I 180 32.147 44.898 -5.524 1.00 48.27 O HETATM 3131 O HOH I 181 46.678 38.684 -5.933 1.00 44.69 O HETATM 3132 O HOH I 182 28.262 39.335 1.654 1.00 38.57 O HETATM 3133 O HOH I 183 44.756 28.753 10.473 1.00 53.60 O HETATM 3134 O HOH I 184 47.257 33.089 -1.031 1.00 39.83 O HETATM 3135 O HOH I 185 35.745 23.563 -4.436 1.00 44.97 O HETATM 3136 O HOH I 186 41.006 26.765 7.953 1.00 48.24 O HETATM 3137 O HOH I 187 38.438 19.799 2.908 1.00 50.30 O HETATM 3138 O HOH I 188 36.348 40.341 16.793 1.00 54.30 O HETATM 3139 O HOH I 189 30.411 40.417 6.269 1.00 45.79 O HETATM 3140 O HOH I 190 38.506 25.500 -10.192 1.00 42.88 O HETATM 3141 O HOH I 191 46.085 40.770 3.986 1.00 18.27 O HETATM 3142 O HOH I 192 43.947 40.717 -6.808 1.00 30.65 O HETATM 3143 O HOH I 193 43.336 37.978 1.931 1.00 30.72 O HETATM 3144 O HOH I 194 46.971 38.790 -3.419 1.00 38.82 O HETATM 3145 O HOH I 195 39.178 33.819 16.631 1.00 42.65 O CONECT 13 2566 CONECT 298 2566 CONECT 299 2566 CONECT 532 2566 CONECT 551 2566 CONECT 562 2566 CONECT 574 2566 CONECT 1177 2567 CONECT 1190 2567 CONECT 1215 2567 CONECT 2566 13 298 299 532 CONECT 2566 551 562 574 CONECT 2567 1177 1190 1215 2678 CONECT 2567 2779 CONECT 2568 2569 2570 2571 CONECT 2569 2568 CONECT 2570 2568 CONECT 2571 2568 2572 CONECT 2572 2571 2573 2574 2578 CONECT 2573 2572 CONECT 2574 2572 2575 CONECT 2575 2574 2576 2577 CONECT 2576 2575 CONECT 2577 2575 CONECT 2578 2572 2579 2580 CONECT 2579 2578 CONECT 2580 2578 CONECT 2581 2582 2583 2584 CONECT 2582 2581 CONECT 2583 2581 CONECT 2584 2581 2585 CONECT 2585 2584 2586 2587 2591 CONECT 2586 2585 CONECT 2587 2585 2588 CONECT 2588 2587 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2585 2592 2593 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2595 2596 2597 CONECT 2595 2594 CONECT 2596 2594 CONECT 2597 2594 2598 CONECT 2598 2597 2599 2600 2604 CONECT 2599 2598 CONECT 2600 2598 2601 CONECT 2601 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2598 2605 2606 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2608 CONECT 2608 2607 2609 CONECT 2609 2608 2610 CONECT 2610 2609 2611 CONECT 2611 2610 2612 CONECT 2612 2611 2613 CONECT 2613 2612 2614 CONECT 2614 2613 2615 CONECT 2615 2614 2616 CONECT 2616 2615 2617 CONECT 2617 2616 CONECT 2618 2619 CONECT 2619 2618 2620 CONECT 2620 2619 2621 CONECT 2621 2620 2622 CONECT 2622 2621 2623 CONECT 2623 2622 2624 CONECT 2624 2623 2625 CONECT 2625 2624 2626 CONECT 2626 2625 2627 CONECT 2627 2626 2628 CONECT 2628 2627 2629 CONECT 2629 2628 2630 CONECT 2630 2629 2631 CONECT 2631 2630 2632 CONECT 2632 2631 2633 CONECT 2633 2632 CONECT 2634 2635 CONECT 2635 2634 2636 CONECT 2636 2635 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 2640 CONECT 2640 2639 2641 CONECT 2641 2640 2642 CONECT 2642 2641 2643 CONECT 2643 2642 2644 CONECT 2644 2643 2645 CONECT 2645 2644 2646 CONECT 2646 2645 CONECT 2678 2567 CONECT 2779 2567 MASTER 428 0 8 11 15 0 21 6 3087 2 95 27 END
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Related entries of code: 1y1k
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Protein Sequence Similarity
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RCSB PDB
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64aa, >1Y3B_2|Chain... at 92%
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64aa, >1Y3C_2|Chain... at 92%
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RCSB PDB
PDBbind
64aa, >1Y3D_2|Chain... at 92%
1y48
RCSB PDB
PDBbind
64aa, >1Y48_2|Chain... at 92%
1y4a
RCSB PDB
PDBbind
64aa, >1Y4A_2|Chain... at 90%
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1tm1
RCSB PDB
PDBbind
64-mer
1tm3
RCSB PDB
PDBbind
64-mer
1tm4
RCSB PDB
PDBbind
64-mer
1tm5
RCSB PDB
PDBbind
64-mer
1tm7
RCSB PDB
PDBbind
64-mer
1to1
RCSB PDB
PDBbind
64-mer
1y33
RCSB PDB
PDBbind
64-mer
1y34
RCSB PDB
PDBbind
64-mer
1y3b
RCSB PDB
PDBbind
64-mer
1y3c
RCSB PDB
PDBbind
64-mer
1y3d
RCSB PDB
PDBbind
64-mer
1y48
RCSB PDB
PDBbind
64-mer
Entry Information
PDB ID
1y1k
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
1.56(Å)
Affinity (Kd/Ki/IC50)
Ki=0.3nM
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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times since Nov 2007.
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