Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 30-NOV-04 1Y4A TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN TITLE 2 INHIBITOR 2 M59R/E60S MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUBTILISIN BPN'; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: SUBTILISIN NOVO; SUBTILISIN DFE; ALKALINE PROTEASE; COMPND 5 EC: 3.4.21.62; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; COMPND 10 CHAIN: I; COMPND 11 ENGINEERED: YES; COMPND 12 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390; SOURCE 4 GENE: APR; SOURCE 5 EXPRESSION_SYSTEM: BACILLUS SUBTILIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 1423; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BG2036; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSER25; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; SOURCE 12 ORGANISM_TAXID: 4513; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 14 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 17 EXPRESSION_SYSTEM_PLASMID: PCI2M59R-E60S 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 1Y4A 1 REMARK REVDAT 2 24-FEB-09 1Y4A 1 VERSN REVDAT 1 17-MAY-05 1Y4A 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. 1.60 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 59.76 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 35473 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.158 REMARK 3 R VALUE (WORKING SET) : 0.156 REMARK 3 FREE R VALUE : 0.203 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1883 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2601 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2740 REMARK 3 BIN FREE R VALUE SET COUNT : 148 REMARK 3 BIN FREE R VALUE : 0.2820 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2433 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 39 REMARK 3 SOLVENT ATOMS : 420 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.55000 REMARK 3 B22 (A**2) : -0.01000 REMARK 3 B33 (A**2) : -0.11000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.97000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.089 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.095 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.066 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.974 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.971 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.950 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2527 ; 0.019 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3434 ; 1.650 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 336 ; 6.235 ; 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): 398 ; 0.126 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1883 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1318 ; 0.221 ; 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): 329 ; 0.196 ; 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): 55 ; 0.190 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 58 ; 0.261 ; 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): 1670 ; 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): 2686 ; 1.585 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 857 ; 2.613 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 748 ; 4.360 ; 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 1Y4A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-04. REMARK 100 THE DEPOSITION ID IS D_1000031097. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-JUN-03 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 : 35473 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 59.760 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 3.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07200 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.4000 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 (%): 29.10 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP MICROSEEDED. SODIUM REMARK 280 CITRATE, ISOPROPANOL, PEG 2000, PH 4.6, VAPOR DIFFUSION, HANGING REMARK 280 DROP, MICROSEEDED, TEMPERATURE 277K, VAPOR DIFFUSION, HANGING REMARK 280 DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 20.69200 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 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: 1870 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12780 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 HIS E 276 REMARK 465 HIS E 277 REMARK 465 HIS E 278 REMARK 465 HIS E 279 REMARK 465 HIS E 280 REMARK 465 HIS E 281 REMARK 465 MET I 20 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN E 275 O REMARK 470 ARG I 72 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH E 5101 O HOH I 155 2.05 REMARK 500 O HOH E 5010 O HOH E 5295 2.15 REMARK 500 ND2 ASN E 118 O HOH E 5105 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH E 5220 O HOH E 5269 2756 2.03 REMARK 500 O HOH E 5193 O HOH E 5212 2847 2.12 REMARK 500 O HOH E 5219 O HOH I 131 2846 2.16 REMARK 500 O HOH E 5316 O HOH I 149 1455 2.18 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. = 5.9 DEGREES REMARK 500 ASP I 64 CB - CG - OD2 ANGL. DEV. = 7.4 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 -152.62 -166.52 REMARK 500 SER E 63 -25.08 111.80 REMARK 500 ALA E 73 22.18 -153.49 REMARK 500 ASN E 77 -154.81 -155.69 REMARK 500 ASP E 181 -166.49 -101.63 REMARK 500 LYS I 43 77.66 -151.47 REMARK 500 VAL I 53 -54.34 -28.03 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 5002 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E1001 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLN E 2 OE1 REMARK 620 2 ASP E 41 OD1 163.3 REMARK 620 3 LEU E 75 O 78.4 89.5 REMARK 620 4 ASN E 77 ND2 85.3 84.0 93.7 REMARK 620 5 ILE E 79 O 98.0 92.6 172.8 79.7 REMARK 620 6 VAL E 81 O 95.2 96.3 90.1 176.2 96.5 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E1002 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER E 161 OG REMARK 620 2 15P E5001 O5 91.4 REMARK 620 3 15P E5001 O6 88.3 50.2 REMARK 620 4 15P E5001 O4 91.6 63.3 113.4 REMARK 620 5 15P E5001 O3 93.5 130.0 178.2 66.8 REMARK 620 6 HOH E5009 O 168.8 89.9 84.0 98.9 94.2 REMARK 620 7 15P E5001 O2 84.5 162.5 112.5 133.7 67.4 91.0 REMARK 620 8 15P E5001 O1 83.5 102.9 52.8 165.4 127.1 85.4 59.7 REMARK 620 N 1 2 3 4 5 6 7 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 15P E 5001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 15P E 5002 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Y1K RELATED DB: PDB REMARK 900 RELATED ID: 1Y33 RELATED DB: PDB REMARK 900 RELATED ID: 1Y34 RELATED DB: PDB REMARK 900 RELATED ID: 1Y3B RELATED DB: PDB REMARK 900 RELATED ID: 1Y3C RELATED DB: PDB REMARK 900 RELATED ID: 1Y3D RELATED DB: PDB REMARK 900 RELATED ID: 1Y3F RELATED DB: PDB REMARK 900 RELATED ID: 1Y48 RELATED DB: PDB REMARK 900 RELATED ID: 1Y4D RELATED DB: PDB DBREF 1Y4A E 1 275 UNP P00782 SUBT_BACAM 108 382 DBREF 1Y4A I 21 83 UNP Q40059 Q40059_HORVU 22 84 SEQADV 1Y4A HIS E 276 UNP P00782 EXPRESSION TAG SEQADV 1Y4A HIS E 277 UNP P00782 EXPRESSION TAG SEQADV 1Y4A HIS E 278 UNP P00782 EXPRESSION TAG SEQADV 1Y4A HIS E 279 UNP P00782 EXPRESSION TAG SEQADV 1Y4A HIS E 280 UNP P00782 EXPRESSION TAG SEQADV 1Y4A HIS E 281 UNP P00782 EXPRESSION TAG SEQADV 1Y4A MET I 20 UNP Q40059 INITIATING METHIONINE SEQADV 1Y4A ARG I 59 UNP Q40059 MET 60 ENGINEERED SEQADV 1Y4A SER I 60 UNP Q40059 GLU 61 ENGINEERED SEQRES 1 E 281 ALA GLN SER VAL PRO TYR GLY VAL SER GLN ILE LYS ALA SEQRES 2 E 281 PRO ALA LEU HIS SER GLN GLY TYR THR GLY SER ASN VAL SEQRES 3 E 281 LYS VAL ALA VAL ILE ASP SER GLY ILE ASP SER SER HIS SEQRES 4 E 281 PRO ASP LEU LYS VAL ALA GLY GLY ALA SER MET VAL PRO SEQRES 5 E 281 SER GLU THR ASN PRO PHE GLN ASP ASN ASN SER HIS GLY SEQRES 6 E 281 THR HIS VAL ALA GLY THR VAL ALA ALA LEU ASN ASN SER SEQRES 7 E 281 ILE GLY VAL LEU GLY VAL ALA PRO SER ALA SER LEU TYR SEQRES 8 E 281 ALA VAL LYS VAL LEU GLY ALA ASP GLY SER GLY GLN TYR SEQRES 9 E 281 SER TRP ILE ILE ASN GLY ILE GLU TRP ALA ILE ALA ASN SEQRES 10 E 281 ASN MET ASP VAL ILE ASN MET SER LEU GLY GLY PRO SER SEQRES 11 E 281 GLY SER ALA ALA LEU LYS ALA ALA VAL ASP LYS ALA VAL SEQRES 12 E 281 ALA SER GLY VAL VAL VAL VAL ALA ALA ALA GLY ASN GLU SEQRES 13 E 281 GLY THR SER GLY SER SER SER THR VAL GLY TYR PRO GLY SEQRES 14 E 281 LYS TYR PRO SER VAL ILE ALA VAL GLY ALA VAL ASP SER SEQRES 15 E 281 SER ASN GLN ARG ALA SER PHE SER SER VAL GLY PRO GLU SEQRES 16 E 281 LEU ASP VAL MET ALA PRO GLY VAL SER ILE GLN SER THR SEQRES 17 E 281 LEU PRO GLY ASN LYS TYR GLY ALA TYR ASN GLY THR SER SEQRES 18 E 281 MET ALA SER PRO HIS VAL ALA GLY ALA ALA ALA LEU ILE SEQRES 19 E 281 LEU SER LYS HIS PRO ASN TRP THR ASN THR GLN VAL ARG SEQRES 20 E 281 SER SER LEU GLU ASN THR THR THR LYS LEU GLY ASP SER SEQRES 21 E 281 PHE TYR TYR GLY LYS GLY LEU ILE ASN VAL GLN ALA ALA SEQRES 22 E 281 ALA GLN HIS HIS HIS HIS HIS HIS SEQRES 1 I 64 MET LYS THR GLU TRP PRO GLU LEU VAL GLY LYS SER VAL SEQRES 2 I 64 GLU GLU ALA LYS LYS VAL ILE LEU GLN ASP LYS PRO ALA SEQRES 3 I 64 ALA GLN ILE ILE VAL LEU PRO VAL GLY THR ILE VAL THR SEQRES 4 I 64 ARG SER TYR ARG ILE ASP ARG VAL ARG LEU PHE VAL ASP SEQRES 5 I 64 ARG LEU ASP ASN ILE ALA GLN VAL PRO ARG VAL GLY HET CA E1001 1 HET NA E1002 1 HET CIT E2001 13 HET 15P E5001 16 HET 15P E5002 8 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 C6 H8 O7 FORMUL 6 15P 2(C69 H140 O35) FORMUL 8 HOH *420(H2 O) HELIX 1 1 PRO E 5 ILE E 11 1 7 HELIX 2 2 LYS E 12 GLN E 19 1 8 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 THR E 253 1 12 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 30 O TYR E 91 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 VAL E 149 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 THR I 58 -1 O ILE I 56 N GLY E 102 SHEET 3 B 3 LEU E 126 GLY E 127 -1 N GLY E 127 O VAL I 57 SHEET 1 C 2 ILE E 205 LEU E 209 0 SHEET 2 C 2 LYS E 213 TYR E 217 -1 O TYR E 217 N ILE E 205 SHEET 1 D 3 GLN I 47 PRO I 52 0 SHEET 2 D 3 ARG I 62 VAL I 70 1 O LEU I 68 N ILE I 49 SHEET 3 D 3 VAL I 82 GLY I 83 -1 O GLY I 83 N ARG I 65 LINK OE1 GLN E 2 CA CA E1001 1555 1555 2.37 LINK OD1 ASP E 41 CA CA E1001 1555 1555 2.42 LINK O LEU E 75 CA CA E1001 1555 1555 2.32 LINK ND2 ASN E 77 CA CA E1001 1555 1555 2.36 LINK O ILE E 79 CA CA E1001 1555 1555 2.41 LINK O VAL E 81 CA CA E1001 1555 1555 2.48 LINK OG SER E 161 NA NA E1002 1555 1555 2.36 LINK NA NA E1002 O5 15P E5001 1555 1555 2.88 LINK NA NA E1002 O6 15P E5001 1555 1555 2.69 LINK NA NA E1002 O4 15P E5001 1555 1555 2.53 LINK NA NA E1002 O3 15P E5001 1555 1555 2.52 LINK NA NA E1002 O HOH E5009 1555 1555 2.38 LINK NA NA E1002 O2 15P E5001 1555 1555 2.56 LINK NA NA E1002 O1 15P E5001 1555 1555 2.96 CISPEP 1 TYR E 167 PRO E 168 0 3.57 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 3 SER E 161 15P E5001 HOH E5009 SITE 1 AC3 12 LEU E 209 TYR E 214 TYR E 217 SER E 260 SITE 2 AC3 12 HOH E5075 HOH E5091 HOH E5140 HOH E5141 SITE 3 AC3 12 HOH E5183 HOH E5258 HOH E5286 HOH E5310 SITE 1 AC4 5 GLY E 160 SER E 161 PHE E 261 TYR E 262 SITE 2 AC4 5 NA E1002 SITE 1 AC5 5 VAL E 143 ALA E 144 GLY E 146 ASN E 243 SITE 2 AC5 5 HOH E5251 CRYST1 57.446 41.384 63.881 90.00 110.41 90.00 P 1 21 1 2 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 0.017408 0.000000 0.006477 0.00000 SCALE2 0.000000 0.024164 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016703 0.00000 ATOM 1 N ALA E 1 46.074 -2.582 59.155 1.00 24.58 N ATOM 2 CA ALA E 1 45.927 -1.318 59.966 1.00 22.99 C ATOM 3 C ALA E 1 46.508 -0.119 59.207 1.00 22.17 C ATOM 4 O ALA E 1 47.603 -0.208 58.664 1.00 24.17 O ATOM 5 CB ALA E 1 46.621 -1.470 61.272 1.00 24.07 C ATOM 6 N GLN E 2 45.795 1.005 59.217 1.00 20.41 N ATOM 7 CA GLN E 2 46.306 2.223 58.538 1.00 18.64 C ATOM 8 C GLN E 2 46.990 3.170 59.508 1.00 18.14 C ATOM 9 O GLN E 2 46.569 3.301 60.661 1.00 18.63 O ATOM 10 CB GLN E 2 45.172 2.944 57.843 1.00 18.05 C ATOM 11 CG GLN E 2 45.561 4.259 57.067 1.00 17.12 C ATOM 12 CD GLN E 2 44.395 4.766 56.263 1.00 15.46 C ATOM 13 OE1 GLN E 2 44.228 4.393 55.095 1.00 17.18 O ATOM 14 NE2 GLN E 2 43.569 5.585 56.885 1.00 17.04 N ATOM 15 N SER E 3 48.070 3.813 59.050 1.00 17.38 N ATOM 16 CA SER E 3 48.753 4.804 59.875 1.00 16.80 C ATOM 17 C SER E 3 48.710 6.113 59.129 1.00 16.49 C ATOM 18 O SER E 3 48.679 6.123 57.882 1.00 16.82 O ATOM 19 CB SER E 3 50.191 4.422 60.134 1.00 18.39 C ATOM 20 OG ASER E 3 50.927 4.355 58.940 0.67 20.75 O ATOM 21 OG BSER E 3 50.292 3.280 60.990 0.33 17.02 O ATOM 22 N VAL E 4 48.641 7.199 59.890 1.00 15.16 N ATOM 23 CA VAL E 4 48.663 8.535 59.309 1.00 13.31 C ATOM 24 C VAL E 4 50.086 9.080 59.459 1.00 11.74 C ATOM 25 O VAL E 4 50.527 9.359 60.604 1.00 11.95 O ATOM 26 CB VAL E 4 47.653 9.477 60.004 1.00 12.51 C ATOM 27 CG1 VAL E 4 47.646 10.857 59.321 1.00 13.62 C ATOM 28 CG2 VAL E 4 46.207 8.860 60.005 1.00 15.11 C ATOM 29 N PRO E 5 50.852 9.230 58.361 1.00 11.51 N ATOM 30 CA PRO E 5 52.212 9.790 58.507 1.00 10.22 C ATOM 31 C PRO E 5 52.181 11.165 59.170 1.00 10.31 C ATOM 32 O PRO E 5 51.170 11.881 58.982 1.00 9.54 O ATOM 33 CB PRO E 5 52.726 9.862 57.079 1.00 10.29 C ATOM 34 CG PRO E 5 51.914 8.817 56.347 1.00 10.24 C ATOM 35 CD PRO E 5 50.543 8.864 56.959 1.00 10.32 C ATOM 36 N TYR E 6 53.203 11.510 59.959 1.00 10.27 N ATOM 37 CA TYR E 6 53.137 12.719 60.753 1.00 9.30 C ATOM 38 C TYR E 6 52.864 13.929 59.896 1.00 9.61 C ATOM 39 O TYR E 6 52.187 14.843 60.339 1.00 10.11 O ATOM 40 CB TYR E 6 54.402 12.959 61.640 1.00 9.55 C ATOM 41 CG TYR E 6 55.594 13.559 60.922 1.00 9.70 C ATOM 42 CD1 TYR E 6 55.726 14.960 60.745 1.00 9.70 C ATOM 43 CD2 TYR E 6 56.565 12.730 60.358 1.00 10.57 C ATOM 44 CE1 TYR E 6 56.820 15.504 60.045 1.00 9.03 C ATOM 45 CE2 TYR E 6 57.688 13.271 59.686 1.00 9.18 C ATOM 46 CZ TYR E 6 57.791 14.676 59.531 1.00 10.22 C ATOM 47 OH TYR E 6 58.825 15.261 58.874 1.00 11.02 O ATOM 48 N GLY E 7 53.411 13.939 58.686 1.00 8.90 N ATOM 49 CA GLY E 7 53.319 15.116 57.795 1.00 9.32 C ATOM 50 C GLY E 7 51.906 15.468 57.420 1.00 9.42 C ATOM 51 O GLY E 7 51.545 16.652 57.338 1.00 8.77 O ATOM 52 N VAL E 8 51.123 14.437 57.147 1.00 9.22 N ATOM 53 CA VAL E 8 49.665 14.601 56.879 1.00 10.12 C ATOM 54 C VAL E 8 48.946 15.353 58.065 1.00 10.79 C ATOM 55 O VAL E 8 48.226 16.302 57.844 1.00 10.14 O ATOM 56 CB VAL E 8 49.008 13.222 56.618 1.00 10.25 C ATOM 57 CG1 VAL E 8 47.505 13.342 56.422 1.00 10.68 C ATOM 58 CG2 VAL E 8 49.664 12.498 55.399 1.00 12.31 C ATOM 59 N SER E 9 49.134 14.873 59.302 1.00 10.80 N ATOM 60 CA SER E 9 48.663 15.603 60.462 1.00 11.80 C ATOM 61 C SER E 9 49.241 16.979 60.648 1.00 9.86 C ATOM 62 O SER E 9 48.500 17.894 61.054 1.00 11.47 O ATOM 63 CB SER E 9 48.864 14.803 61.763 1.00 12.66 C ATOM 64 OG SER E 9 48.345 13.501 61.593 1.00 15.58 O ATOM 65 N GLN E 10 50.542 17.142 60.394 1.00 9.88 N ATOM 66 CA GLN E 10 51.256 18.385 60.648 1.00 9.40 C ATOM 67 C GLN E 10 50.687 19.542 59.834 1.00 9.63 C ATOM 68 O GLN E 10 50.596 20.660 60.338 1.00 10.01 O ATOM 69 CB GLN E 10 52.759 18.189 60.387 1.00 10.00 C ATOM 70 CG GLN E 10 53.634 19.419 60.803 1.00 13.11 C ATOM 71 CD GLN E 10 55.082 19.024 61.103 1.00 13.23 C ATOM 72 OE1 GLN E 10 55.324 17.955 61.710 1.00 15.39 O ATOM 73 NE2 GLN E 10 56.066 19.848 60.652 1.00 16.10 N ATOM 74 N ILE E 11 50.267 19.248 58.606 1.00 9.89 N ATOM 75 CA ILE E 11 49.656 20.288 57.772 1.00 9.63 C ATOM 76 C ILE E 11 48.126 20.484 58.016 1.00 10.69 C ATOM 77 O ILE E 11 47.493 21.365 57.377 1.00 11.24 O ATOM 78 CB ILE E 11 49.941 20.056 56.294 1.00 10.34 C ATOM 79 CG1 ILE E 11 49.187 18.840 55.744 1.00 8.25 C ATOM 80 CG2 ILE E 11 51.470 19.964 56.012 1.00 8.64 C ATOM 81 CD1 ILE E 11 49.128 18.913 54.163 1.00 11.30 C ATOM 82 N LYS E 12 47.571 19.707 58.967 1.00 11.19 N ATOM 83 CA LYS E 12 46.155 19.747 59.380 1.00 10.95 C ATOM 84 C LYS E 12 45.215 19.205 58.300 1.00 12.08 C ATOM 85 O LYS E 12 44.074 19.617 58.215 1.00 13.25 O ATOM 86 CB LYS E 12 45.759 21.159 59.871 1.00 12.10 C ATOM 87 CG LYS E 12 46.768 21.792 60.857 1.00 14.29 C ATOM 88 CD LYS E 12 46.086 22.868 61.670 1.00 20.53 C ATOM 89 CE LYS E 12 47.049 23.499 62.670 1.00 23.43 C ATOM 90 NZ LYS E 12 47.772 22.454 63.457 1.00 28.47 N ATOM 91 N ALA E 13 45.660 18.234 57.512 1.00 11.18 N ATOM 92 CA ALA E 13 44.771 17.631 56.532 1.00 12.67 C ATOM 93 C ALA E 13 43.604 16.861 57.188 1.00 13.04 C ATOM 94 O ALA E 13 42.512 16.873 56.636 1.00 13.82 O ATOM 95 CB ALA E 13 45.555 16.671 55.564 1.00 12.53 C ATOM 96 N PRO E 14 43.820 16.139 58.286 1.00 14.52 N ATOM 97 CA PRO E 14 42.695 15.393 58.874 1.00 15.59 C ATOM 98 C PRO E 14 41.552 16.319 59.307 1.00 16.11 C ATOM 99 O PRO E 14 40.420 15.834 59.309 1.00 17.87 O ATOM 100 CB PRO E 14 43.349 14.671 60.063 1.00 14.42 C ATOM 101 CG PRO E 14 44.847 14.467 59.555 1.00 16.77 C ATOM 102 CD PRO E 14 45.068 15.884 59.039 1.00 13.79 C ATOM 103 N ALA E 15 41.816 17.590 59.623 1.00 17.56 N ATOM 104 CA ALA E 15 40.721 18.564 59.840 1.00 18.85 C ATOM 105 C ALA E 15 39.776 18.668 58.649 1.00 18.54 C ATOM 106 O ALA E 15 38.548 18.714 58.830 1.00 18.84 O ATOM 107 CB ALA E 15 41.238 19.903 60.228 1.00 18.46 C ATOM 108 N LEU E 16 40.345 18.688 57.436 1.00 17.03 N ATOM 109 CA LEU E 16 39.578 18.731 56.191 1.00 16.87 C ATOM 110 C LEU E 16 38.790 17.444 56.012 1.00 17.40 C ATOM 111 O LEU E 16 37.571 17.498 55.756 1.00 16.04 O ATOM 112 CB LEU E 16 40.472 19.008 54.949 1.00 17.21 C ATOM 113 CG LEU E 16 40.734 20.451 54.516 1.00 19.69 C ATOM 114 CD1 LEU E 16 39.487 21.073 53.863 1.00 20.89 C ATOM 115 CD2 LEU E 16 41.180 21.226 55.712 1.00 21.78 C ATOM 116 N HIS E 17 39.462 16.287 56.151 1.00 15.75 N ATOM 117 CA HIS E 17 38.833 14.986 55.990 1.00 17.37 C ATOM 118 C HIS E 17 37.617 14.874 56.903 1.00 18.40 C ATOM 119 O HIS E 17 36.595 14.371 56.473 1.00 19.18 O ATOM 120 CB HIS E 17 39.800 13.849 56.356 1.00 16.68 C ATOM 121 CG HIS E 17 41.093 13.871 55.584 1.00 15.67 C ATOM 122 ND1 HIS E 17 42.144 13.042 55.893 1.00 15.18 N ATOM 123 CD2 HIS E 17 41.478 14.588 54.492 1.00 14.36 C ATOM 124 CE1 HIS E 17 43.138 13.255 55.041 1.00 15.46 C ATOM 125 NE2 HIS E 17 42.770 14.202 54.194 1.00 12.35 N ATOM 126 N SER E 18 37.751 15.350 58.140 1.00 19.53 N ATOM 127 CA SER E 18 36.656 15.248 59.136 1.00 21.32 C ATOM 128 C SER E 18 35.444 16.080 58.761 1.00 22.24 C ATOM 129 O SER E 18 34.321 15.726 59.138 1.00 22.77 O ATOM 130 CB SER E 18 37.152 15.643 60.524 1.00 21.99 C ATOM 131 OG SER E 18 38.050 14.667 60.978 1.00 26.47 O ATOM 132 N GLN E 19 35.672 17.160 58.006 1.00 22.56 N ATOM 133 CA GLN E 19 34.619 17.979 57.387 1.00 23.96 C ATOM 134 C GLN E 19 34.053 17.370 56.105 1.00 22.78 C ATOM 135 O GLN E 19 33.165 17.953 55.501 1.00 25.16 O ATOM 136 CB GLN E 19 35.157 19.342 56.973 1.00 24.97 C ATOM 137 CG GLN E 19 35.708 20.336 58.021 1.00 29.57 C ATOM 138 CD GLN E 19 36.453 21.490 57.322 1.00 34.43 C ATOM 139 OE1 GLN E 19 36.010 21.957 56.272 1.00 38.01 O ATOM 140 NE2 GLN E 19 37.600 21.918 57.879 1.00 37.00 N ATOM 141 N GLY E 20 34.590 16.246 55.646 1.00 22.24 N ATOM 142 CA GLY E 20 34.113 15.610 54.433 1.00 20.38 C ATOM 143 C GLY E 20 34.812 16.030 53.144 1.00 19.50 C ATOM 144 O GLY E 20 34.290 15.752 52.064 1.00 19.01 O ATOM 145 N TYR E 21 35.990 16.664 53.240 1.00 17.74 N ATOM 146 CA TYR E 21 36.757 17.124 52.050 1.00 17.41 C ATOM 147 C TYR E 21 38.062 16.343 51.959 1.00 16.02 C ATOM 148 O TYR E 21 38.881 16.390 52.898 1.00 15.27 O ATOM 149 CB TYR E 21 37.015 18.628 52.116 1.00 18.10 C ATOM 150 CG TYR E 21 35.709 19.358 52.117 1.00 20.01 C ATOM 151 CD1 TYR E 21 34.886 19.325 50.982 1.00 23.16 C ATOM 152 CD2 TYR E 21 35.264 20.006 53.261 1.00 21.69 C ATOM 153 CE1 TYR E 21 33.631 19.973 50.975 1.00 24.81 C ATOM 154 CE2 TYR E 21 33.999 20.647 53.269 1.00 24.87 C ATOM 155 CZ TYR E 21 33.220 20.628 52.127 1.00 25.61 C ATOM 156 OH TYR E 21 31.975 21.261 52.140 1.00 33.36 O ATOM 157 N THR E 22 38.159 15.516 50.909 1.00 15.98 N ATOM 158 CA THR E 22 39.299 14.594 50.736 1.00 15.43 C ATOM 159 C THR E 22 39.934 14.670 49.346 1.00 15.26 C ATOM 160 O THR E 22 40.727 13.794 49.002 1.00 14.79 O ATOM 161 CB THR E 22 38.899 13.137 51.029 1.00 15.77 C ATOM 162 OG1 THR E 22 37.717 12.809 50.282 1.00 17.95 O ATOM 163 CG2 THR E 22 38.512 12.980 52.520 1.00 15.46 C ATOM 164 N GLY E 23 39.630 15.735 48.586 1.00 14.09 N ATOM 165 CA GLY E 23 40.188 15.907 47.249 1.00 14.73 C ATOM 166 C GLY E 23 39.355 15.271 46.137 1.00 15.04 C ATOM 167 O GLY E 23 39.781 15.215 44.984 1.00 13.69 O ATOM 168 N SER E 24 38.134 14.829 46.443 1.00 14.47 N ATOM 169 CA SER E 24 37.360 14.182 45.381 1.00 15.38 C ATOM 170 C SER E 24 37.227 15.038 44.122 1.00 14.44 C ATOM 171 O SER E 24 36.938 16.224 44.217 1.00 16.03 O ATOM 172 CB SER E 24 35.965 13.903 45.872 1.00 16.08 C ATOM 173 OG SER E 24 36.016 12.794 46.761 1.00 20.25 O ATOM 174 N ASN E 25 37.410 14.393 42.977 1.00 15.05 N ATOM 175 CA ASN E 25 37.291 15.008 41.637 1.00 15.21 C ATOM 176 C ASN E 25 38.278 16.099 41.311 1.00 16.74 C ATOM 177 O ASN E 25 38.043 16.884 40.381 1.00 19.72 O ATOM 178 CB ASN E 25 35.872 15.501 41.358 1.00 15.92 C ATOM 179 CG ASN E 25 34.840 14.425 41.668 1.00 16.94 C ATOM 180 OD1 ASN E 25 35.021 13.252 41.297 1.00 18.15 O ATOM 181 ND2 ASN E 25 33.760 14.820 42.317 1.00 19.00 N ATOM 182 N VAL E 26 39.359 16.171 42.082 1.00 14.65 N ATOM 183 CA VAL E 26 40.421 17.136 41.738 1.00 13.15 C ATOM 184 C VAL E 26 41.518 16.323 41.075 1.00 13.24 C ATOM 185 O VAL E 26 41.934 15.286 41.613 1.00 14.41 O ATOM 186 CB VAL E 26 40.965 17.815 43.015 1.00 12.44 C ATOM 187 CG1 VAL E 26 42.141 18.839 42.648 1.00 12.35 C ATOM 188 CG2 VAL E 26 39.821 18.483 43.755 1.00 13.78 C ATOM 189 N LYS E 27 42.010 16.822 39.927 1.00 12.45 N ATOM 190 CA LYS E 27 42.897 16.081 39.075 1.00 11.77 C ATOM 191 C LYS E 27 44.292 16.593 39.428 1.00 12.17 C ATOM 192 O LYS E 27 44.576 17.752 39.213 1.00 12.16 O ATOM 193 CB LYS E 27 42.554 16.393 37.622 1.00 12.53 C ATOM 194 CG LYS E 27 41.197 15.803 37.264 1.00 15.02 C ATOM 195 CD LYS E 27 40.930 15.935 35.777 1.00 20.81 C ATOM 196 CE LYS E 27 39.540 15.511 35.485 1.00 25.41 C ATOM 197 NZ LYS E 27 38.668 16.674 35.809 1.00 28.81 N ATOM 198 N VAL E 28 45.108 15.697 39.976 1.00 11.88 N ATOM 199 CA VAL E 28 46.510 16.009 40.312 1.00 10.58 C ATOM 200 C VAL E 28 47.437 15.172 39.477 1.00 11.35 C ATOM 201 O VAL E 28 47.438 13.915 39.548 1.00 11.66 O ATOM 202 CB VAL E 28 46.787 15.683 41.806 1.00 10.88 C ATOM 203 CG1 VAL E 28 48.218 16.175 42.215 1.00 10.60 C ATOM 204 CG2 VAL E 28 45.738 16.333 42.707 1.00 10.28 C ATOM 205 N ALA E 29 48.273 15.841 38.683 1.00 10.67 N ATOM 206 CA ALA E 29 49.305 15.184 37.864 1.00 10.60 C ATOM 207 C ALA E 29 50.610 15.133 38.677 1.00 10.78 C ATOM 208 O ALA E 29 51.159 16.182 39.013 1.00 11.36 O ATOM 209 CB ALA E 29 49.532 15.956 36.536 1.00 10.85 C ATOM 210 N VAL E 30 51.072 13.914 38.939 1.00 9.14 N ATOM 211 CA VAL E 30 52.371 13.677 39.532 1.00 8.00 C ATOM 212 C VAL E 30 53.307 13.452 38.361 1.00 8.68 C ATOM 213 O VAL E 30 53.253 12.379 37.705 1.00 10.42 O ATOM 214 CB VAL E 30 52.315 12.445 40.476 1.00 8.13 C ATOM 215 CG1 VAL E 30 53.685 12.127 41.078 1.00 9.99 C ATOM 216 CG2 VAL E 30 51.372 12.782 41.637 1.00 9.62 C ATOM 217 N ILE E 31 54.081 14.492 38.057 1.00 9.51 N ATOM 218 CA ILE E 31 54.987 14.502 36.899 1.00 8.18 C ATOM 219 C ILE E 31 56.328 14.023 37.468 1.00 8.28 C ATOM 220 O ILE E 31 57.012 14.724 38.271 1.00 9.53 O ATOM 221 CB ILE E 31 55.081 15.960 36.313 1.00 7.62 C ATOM 222 CG1 ILE E 31 53.694 16.423 35.813 1.00 9.44 C ATOM 223 CG2 ILE E 31 56.247 16.013 35.290 1.00 10.14 C ATOM 224 CD1 ILE E 31 53.748 17.734 35.053 1.00 12.76 C ATOM 225 N ASP E 32 56.658 12.762 37.164 1.00 9.07 N ATOM 226 CA ASP E 32 57.664 12.054 37.960 1.00 10.21 C ATOM 227 C ASP E 32 58.114 10.779 37.241 1.00 10.16 C ATOM 228 O ASP E 32 58.033 10.730 36.012 1.00 10.16 O ATOM 229 CB ASP E 32 57.053 11.769 39.375 1.00 10.15 C ATOM 230 CG ASP E 32 58.076 11.785 40.449 1.00 12.45 C ATOM 231 OD1 ASP E 32 58.968 10.907 40.391 1.00 13.55 O ATOM 232 OD2 ASP E 32 58.063 12.582 41.434 1.00 11.61 O ATOM 233 N SER E 33 58.557 9.764 37.979 1.00 11.33 N ATOM 234 CA SER E 33 59.032 8.505 37.365 1.00 11.54 C ATOM 235 C SER E 33 57.932 7.441 37.074 1.00 12.34 C ATOM 236 O SER E 33 58.257 6.239 36.941 1.00 14.46 O ATOM 237 CB SER E 33 60.096 7.887 38.292 1.00 11.70 C ATOM 238 OG SER E 33 59.538 7.399 39.523 1.00 11.38 O ATOM 239 N GLY E 34 56.668 7.839 37.078 1.00 13.09 N ATOM 240 CA GLY E 34 55.559 6.901 36.945 1.00 12.29 C ATOM 241 C GLY E 34 54.918 6.672 38.292 1.00 12.02 C ATOM 242 O GLY E 34 55.398 7.205 39.322 1.00 11.55 O ATOM 243 N ILE E 35 53.866 5.855 38.321 1.00 12.14 N ATOM 244 CA ILE E 35 53.263 5.464 39.599 1.00 12.25 C ATOM 245 C ILE E 35 52.939 3.968 39.495 1.00 13.04 C ATOM 246 O ILE E 35 52.310 3.559 38.537 1.00 12.77 O ATOM 247 CB ILE E 35 51.948 6.262 39.918 1.00 12.27 C ATOM 248 CG1 ILE E 35 52.193 7.802 39.918 1.00 8.62 C ATOM 249 CG2 ILE E 35 51.320 5.775 41.258 1.00 11.86 C ATOM 250 CD1 ILE E 35 50.873 8.608 40.046 1.00 12.51 C ATOM 251 N ASP E 36 53.298 3.182 40.512 1.00 13.26 N ATOM 252 CA ASP E 36 52.904 1.763 40.522 1.00 14.64 C ATOM 253 C ASP E 36 51.407 1.648 40.813 1.00 14.70 C ATOM 254 O ASP E 36 50.936 1.597 41.953 1.00 16.23 O ATOM 255 CB ASP E 36 53.770 0.961 41.500 1.00 15.31 C ATOM 256 CG ASP E 36 53.426 -0.510 41.511 1.00 19.65 C ATOM 257 OD1 ASP E 36 52.551 -0.925 40.695 1.00 16.95 O ATOM 258 OD2 ASP E 36 53.991 -1.301 42.306 1.00 21.48 O ATOM 259 N SER E 37 50.630 1.541 39.737 1.00 15.28 N ATOM 260 CA SER E 37 49.207 1.525 39.867 1.00 16.20 C ATOM 261 C SER E 37 48.695 0.219 40.495 1.00 15.81 C ATOM 262 O SER E 37 47.538 0.184 40.872 1.00 17.39 O ATOM 263 CB SER E 37 48.535 1.717 38.511 1.00 16.83 C ATOM 264 OG SER E 37 48.890 0.606 37.690 1.00 18.97 O ATOM 265 N SER E 38 49.544 -0.805 40.593 1.00 15.92 N ATOM 266 CA SER E 38 49.187 -2.062 41.240 1.00 16.70 C ATOM 267 C SER E 38 49.290 -2.004 42.751 1.00 16.82 C ATOM 268 O SER E 38 48.871 -2.951 43.434 1.00 17.72 O ATOM 269 CB SER E 38 50.040 -3.210 40.694 1.00 17.57 C ATOM 270 OG SER E 38 51.308 -3.274 41.326 1.00 20.54 O ATOM 271 N HIS E 39 49.789 -0.891 43.300 1.00 14.11 N ATOM 272 CA HIS E 39 49.841 -0.788 44.761 1.00 13.14 C ATOM 273 C HIS E 39 48.430 -0.770 45.358 1.00 12.82 C ATOM 274 O HIS E 39 47.610 -0.003 44.925 1.00 13.01 O ATOM 275 CB HIS E 39 50.573 0.488 45.184 1.00 13.23 C ATOM 276 CG HIS E 39 51.141 0.398 46.554 1.00 12.24 C ATOM 277 ND1 HIS E 39 50.342 0.326 47.671 1.00 12.38 N ATOM 278 CD2 HIS E 39 52.416 0.331 46.990 1.00 9.21 C ATOM 279 CE1 HIS E 39 51.094 0.229 48.752 1.00 10.02 C ATOM 280 NE2 HIS E 39 52.362 0.221 48.368 1.00 11.39 N ATOM 281 N PRO E 40 48.110 -1.644 46.316 1.00 13.01 N ATOM 282 CA PRO E 40 46.737 -1.652 46.859 1.00 12.70 C ATOM 283 C PRO E 40 46.389 -0.410 47.641 1.00 12.27 C ATOM 284 O PRO E 40 45.225 -0.200 47.890 1.00 13.73 O ATOM 285 CB PRO E 40 46.711 -2.871 47.782 1.00 14.12 C ATOM 286 CG PRO E 40 48.132 -3.206 48.026 1.00 13.47 C ATOM 287 CD PRO E 40 48.919 -2.781 46.816 1.00 13.09 C ATOM 288 N ASP E 41 47.391 0.408 48.000 1.00 12.45 N ATOM 289 CA ASP E 41 47.091 1.665 48.687 1.00 13.50 C ATOM 290 C ASP E 41 47.032 2.892 47.783 1.00 13.27 C ATOM 291 O ASP E 41 46.989 4.019 48.289 1.00 13.09 O ATOM 292 CB ASP E 41 48.109 1.904 49.800 1.00 12.97 C ATOM 293 CG ASP E 41 47.525 2.665 50.978 1.00 14.46 C ATOM 294 OD1 ASP E 41 46.290 2.626 51.218 1.00 16.62 O ATOM 295 OD2 ASP E 41 48.287 3.343 51.715 1.00 16.23 O ATOM 296 N LEU E 42 46.981 2.680 46.474 1.00 12.08 N ATOM 297 CA LEU E 42 46.901 3.763 45.501 1.00 12.03 C ATOM 298 C LEU E 42 45.807 3.467 44.469 1.00 14.06 C ATOM 299 O LEU E 42 45.590 2.289 44.140 1.00 14.77 O ATOM 300 CB LEU E 42 48.239 3.908 44.759 1.00 11.98 C ATOM 301 CG LEU E 42 49.444 4.385 45.586 1.00 10.17 C ATOM 302 CD1 LEU E 42 50.672 4.395 44.743 1.00 10.29 C ATOM 303 CD2 LEU E 42 49.173 5.807 46.185 1.00 12.32 C ATOM 304 N LYS E 43 45.091 4.506 44.036 1.00 12.32 N ATOM 305 CA LYS E 43 44.214 4.396 42.870 1.00 14.07 C ATOM 306 C LYS E 43 44.690 5.433 41.857 1.00 14.06 C ATOM 307 O LYS E 43 44.600 6.634 42.164 1.00 15.41 O ATOM 308 CB LYS E 43 42.751 4.663 43.263 1.00 15.48 C ATOM 309 CG LYS E 43 41.803 4.753 42.069 1.00 18.88 C ATOM 310 CD LYS E 43 41.679 3.481 41.314 1.00 27.37 C ATOM 311 CE LYS E 43 40.533 3.616 40.269 1.00 33.99 C ATOM 312 NZ LYS E 43 40.835 4.643 39.181 1.00 36.91 N ATOM 313 N VAL E 44 45.184 4.976 40.698 1.00 14.17 N ATOM 314 CA VAL E 44 45.597 5.884 39.631 1.00 14.63 C ATOM 315 C VAL E 44 44.465 6.052 38.623 1.00 15.44 C ATOM 316 O VAL E 44 43.950 5.048 38.070 1.00 16.95 O ATOM 317 CB VAL E 44 46.878 5.360 38.922 1.00 13.20 C ATOM 318 CG1 VAL E 44 47.288 6.231 37.730 1.00 15.41 C ATOM 319 CG2 VAL E 44 48.042 5.309 39.905 1.00 14.33 C ATOM 320 N ALA E 45 44.106 7.297 38.378 1.00 13.05 N ATOM 321 CA ALA E 45 42.972 7.670 37.527 1.00 13.85 C ATOM 322 C ALA E 45 43.328 7.639 36.058 1.00 15.10 C ATOM 323 O ALA E 45 42.429 7.618 35.203 1.00 16.35 O ATOM 324 CB ALA E 45 42.547 9.031 37.868 1.00 14.06 C ATOM 325 N GLY E 46 44.622 7.717 35.736 1.00 13.95 N ATOM 326 CA GLY E 46 45.040 7.936 34.369 1.00 13.97 C ATOM 327 C GLY E 46 46.490 8.393 34.265 1.00 12.56 C ATOM 328 O GLY E 46 47.178 8.482 35.277 1.00 13.72 O ATOM 329 N GLY E 47 46.938 8.693 33.055 1.00 11.87 N ATOM 330 CA GLY E 47 48.285 9.212 32.870 1.00 10.85 C ATOM 331 C GLY E 47 48.875 8.906 31.506 1.00 12.72 C ATOM 332 O GLY E 47 48.187 8.329 30.648 1.00 13.95 O ATOM 333 N ALA E 48 50.144 9.255 31.321 1.00 11.51 N ATOM 334 CA ALA E 48 50.814 9.095 30.021 1.00 10.58 C ATOM 335 C ALA E 48 52.312 9.094 30.255 1.00 11.85 C ATOM 336 O ALA E 48 52.797 9.791 31.167 1.00 10.82 O ATOM 337 CB ALA E 48 50.414 10.290 29.085 1.00 9.63 C ATOM 338 N SER E 49 53.050 8.374 29.415 1.00 11.85 N ATOM 339 CA SER E 49 54.542 8.436 29.492 1.00 11.78 C ATOM 340 C SER E 49 55.204 9.244 28.392 1.00 12.58 C ATOM 341 O SER E 49 54.883 9.088 27.190 1.00 12.32 O ATOM 342 CB SER E 49 55.166 7.041 29.530 1.00 12.45 C ATOM 343 OG SER E 49 56.603 7.173 29.505 1.00 13.03 O ATOM 344 N MET E 50 56.132 10.123 28.811 1.00 11.94 N ATOM 345 CA MET E 50 56.900 10.942 27.903 1.00 13.45 C ATOM 346 C MET E 50 58.315 10.370 27.764 1.00 14.00 C ATOM 347 O MET E 50 59.199 10.962 27.122 1.00 16.58 O ATOM 348 CB MET E 50 56.953 12.409 28.420 1.00 11.56 C ATOM 349 CG MET E 50 55.598 13.014 28.803 1.00 14.28 C ATOM 350 SD MET E 50 54.498 12.991 27.389 1.00 17.51 S ATOM 351 CE MET E 50 52.916 12.828 28.272 1.00 17.67 C ATOM 352 N VAL E 51 58.579 9.233 28.412 1.00 14.28 N ATOM 353 CA VAL E 51 59.931 8.677 28.376 1.00 14.57 C ATOM 354 C VAL E 51 60.005 7.657 27.220 1.00 16.22 C ATOM 355 O VAL E 51 59.286 6.656 27.266 1.00 17.51 O ATOM 356 CB VAL E 51 60.246 7.976 29.715 1.00 13.20 C ATOM 357 CG1 VAL E 51 61.653 7.279 29.685 1.00 17.23 C ATOM 358 CG2 VAL E 51 60.189 9.053 30.839 1.00 14.31 C ATOM 359 N PRO E 52 60.797 7.957 26.192 1.00 18.93 N ATOM 360 CA PRO E 52 60.802 7.178 24.915 1.00 19.14 C ATOM 361 C PRO E 52 60.930 5.669 25.107 1.00 19.77 C ATOM 362 O PRO E 52 60.231 4.906 24.443 1.00 20.89 O ATOM 363 CB PRO E 52 61.993 7.776 24.143 1.00 19.71 C ATOM 364 CG PRO E 52 62.091 9.219 24.684 1.00 20.74 C ATOM 365 CD PRO E 52 61.719 9.106 26.134 1.00 17.58 C ATOM 366 N SER E 53 61.772 5.221 26.020 1.00 20.32 N ATOM 367 CA SER E 53 61.943 3.773 26.139 1.00 22.06 C ATOM 368 C SER E 53 61.241 3.099 27.322 1.00 20.78 C ATOM 369 O SER E 53 61.412 1.888 27.563 1.00 21.79 O ATOM 370 CB SER E 53 63.420 3.407 26.072 1.00 22.02 C ATOM 371 OG SER E 53 64.064 3.924 27.229 1.00 26.59 O ATOM 372 N GLU E 54 60.440 3.880 28.052 1.00 19.70 N ATOM 373 CA GLU E 54 59.685 3.395 29.198 1.00 17.15 C ATOM 374 C GLU E 54 58.261 3.911 29.052 1.00 17.08 C ATOM 375 O GLU E 54 57.913 4.927 29.631 1.00 16.66 O ATOM 376 CB GLU E 54 60.335 3.832 30.531 1.00 18.33 C ATOM 377 CG GLU E 54 61.825 3.490 30.632 1.00 20.88 C ATOM 378 CD GLU E 54 62.515 3.908 31.948 1.00 23.20 C ATOM 379 OE1 GLU E 54 61.842 3.952 32.990 1.00 27.81 O ATOM 380 OE2 GLU E 54 63.733 4.179 31.900 1.00 28.72 O ATOM 381 N THR E 55 57.438 3.207 28.264 1.00 16.01 N ATOM 382 CA THR E 55 56.206 3.806 27.748 1.00 16.17 C ATOM 383 C THR E 55 54.979 3.560 28.580 1.00 15.63 C ATOM 384 O THR E 55 53.909 4.000 28.194 1.00 15.39 O ATOM 385 CB THR E 55 55.917 3.335 26.271 1.00 17.31 C ATOM 386 OG1 THR E 55 55.702 1.912 26.288 1.00 16.89 O ATOM 387 CG2 THR E 55 57.141 3.610 25.383 1.00 16.37 C ATOM 388 N ASN E 56 55.120 2.832 29.689 1.00 16.04 N ATOM 389 CA ASN E 56 53.954 2.590 30.542 1.00 15.25 C ATOM 390 C ASN E 56 54.062 3.462 31.786 1.00 14.50 C ATOM 391 O ASN E 56 54.939 3.209 32.612 1.00 14.39 O ATOM 392 CB ASN E 56 53.897 1.108 30.970 1.00 16.56 C ATOM 393 CG ASN E 56 52.574 0.735 31.607 1.00 16.75 C ATOM 394 OD1 ASN E 56 51.862 1.580 32.127 1.00 17.32 O ATOM 395 ND2 ASN E 56 52.213 -0.556 31.533 1.00 20.46 N ATOM 396 N PRO E 57 53.210 4.465 31.934 1.00 14.06 N ATOM 397 CA PRO E 57 53.325 5.358 33.105 1.00 14.03 C ATOM 398 C PRO E 57 52.821 4.691 34.383 1.00 14.69 C ATOM 399 O PRO E 57 53.041 5.251 35.467 1.00 12.73 O ATOM 400 CB PRO E 57 52.439 6.539 32.727 1.00 13.83 C ATOM 401 CG PRO E 57 51.307 5.873 31.870 1.00 15.24 C ATOM 402 CD PRO E 57 52.089 4.857 31.041 1.00 15.25 C ATOM 403 N PHE E 58 52.172 3.527 34.262 1.00 13.99 N ATOM 404 CA PHE E 58 51.553 2.821 35.391 1.00 15.31 C ATOM 405 C PHE E 58 52.498 1.821 36.007 1.00 15.01 C ATOM 406 O PHE E 58 52.120 1.031 36.870 1.00 16.53 O ATOM 407 CB PHE E 58 50.229 2.174 34.935 1.00 15.19 C ATOM 408 CG PHE E 58 49.337 3.104 34.187 1.00 18.15 C ATOM 409 CD1 PHE E 58 48.872 4.290 34.808 1.00 17.73 C ATOM 410 CD2 PHE E 58 49.002 2.862 32.841 1.00 16.05 C ATOM 411 CE1 PHE E 58 48.073 5.196 34.130 1.00 19.74 C ATOM 412 CE2 PHE E 58 48.192 3.784 32.136 1.00 17.10 C ATOM 413 CZ PHE E 58 47.708 4.945 32.799 1.00 19.94 C ATOM 414 N GLN E 59 53.725 1.844 35.533 1.00 15.10 N ATOM 415 CA GLN E 59 54.843 1.094 36.082 1.00 17.93 C ATOM 416 C GLN E 59 55.908 2.117 36.526 1.00 16.69 C ATOM 417 O GLN E 59 56.212 3.066 35.803 1.00 18.66 O ATOM 418 CB GLN E 59 55.378 0.175 34.968 1.00 19.05 C ATOM 419 CG GLN E 59 56.576 -0.622 35.307 1.00 24.19 C ATOM 420 CD GLN E 59 56.698 -1.849 34.391 1.00 32.86 C ATOM 421 OE1 GLN E 59 55.721 -2.244 33.719 1.00 36.02 O ATOM 422 NE2 GLN E 59 57.884 -2.437 34.356 1.00 33.23 N ATOM 423 N ASP E 60 56.454 1.939 37.725 1.00 16.33 N ATOM 424 CA ASP E 60 57.425 2.886 38.228 1.00 15.18 C ATOM 425 C ASP E 60 58.664 2.044 38.519 1.00 15.84 C ATOM 426 O ASP E 60 58.705 1.281 39.491 1.00 16.23 O ATOM 427 CB ASP E 60 56.892 3.560 39.493 1.00 15.00 C ATOM 428 CG ASP E 60 57.936 4.386 40.217 1.00 13.09 C ATOM 429 OD1 ASP E 60 59.021 4.657 39.644 1.00 12.05 O ATOM 430 OD2 ASP E 60 57.733 4.869 41.369 1.00 11.99 O ATOM 431 N ASN E 61 59.652 2.204 37.645 1.00 17.32 N ATOM 432 CA ASN E 61 60.899 1.432 37.673 1.00 18.24 C ATOM 433 C ASN E 61 61.927 2.058 38.611 1.00 17.86 C ATOM 434 O ASN E 61 62.995 1.497 38.800 1.00 18.00 O ATOM 435 CB ASN E 61 61.503 1.433 36.272 1.00 19.40 C ATOM 436 CG ASN E 61 60.606 0.776 35.247 1.00 23.16 C ATOM 437 OD1 ASN E 61 60.142 -0.349 35.459 1.00 25.01 O ATOM 438 ND2 ASN E 61 60.356 1.474 34.126 1.00 25.70 N ATOM 439 N ASN E 62 61.608 3.231 39.170 1.00 15.15 N ATOM 440 CA ASN E 62 62.515 3.905 40.085 1.00 14.87 C ATOM 441 C ASN E 62 62.119 3.767 41.550 1.00 14.54 C ATOM 442 O ASN E 62 62.953 3.415 42.401 1.00 15.37 O ATOM 443 CB ASN E 62 62.568 5.409 39.747 1.00 13.78 C ATOM 444 CG ASN E 62 63.501 6.166 40.663 1.00 16.82 C ATOM 445 OD1 ASN E 62 63.069 6.670 41.706 1.00 18.20 O ATOM 446 ND2 ASN E 62 64.800 6.249 40.296 1.00 15.38 N ATOM 447 N SER E 63 60.849 4.061 41.819 1.00 12.68 N ATOM 448 CA SER E 63 60.192 4.109 43.180 1.00 12.07 C ATOM 449 C SER E 63 59.781 5.532 43.627 1.00 11.50 C ATOM 450 O SER E 63 58.837 5.695 44.430 1.00 9.86 O ATOM 451 CB SER E 63 60.951 3.450 44.312 1.00 12.61 C ATOM 452 OG ASER E 63 61.139 2.076 44.028 0.50 10.74 O ATOM 453 OG BSER E 63 62.021 4.238 44.825 0.50 12.31 O ATOM 454 N HIS E 64 60.464 6.527 43.087 1.00 10.11 N ATOM 455 CA HIS E 64 60.280 7.919 43.561 1.00 9.61 C ATOM 456 C HIS E 64 58.861 8.449 43.281 1.00 8.97 C ATOM 457 O HIS E 64 58.216 8.931 44.219 1.00 8.68 O ATOM 458 CB HIS E 64 61.358 8.792 42.916 1.00 8.12 C ATOM 459 CG HIS E 64 61.298 10.237 43.282 1.00 9.94 C ATOM 460 ND1 HIS E 64 60.527 11.140 42.585 1.00 10.55 N ATOM 461 CD2 HIS E 64 61.957 10.954 44.238 1.00 13.01 C ATOM 462 CE1 HIS E 64 60.699 12.352 43.110 1.00 11.32 C ATOM 463 NE2 HIS E 64 61.609 12.272 44.066 1.00 11.98 N ATOM 464 N GLY E 65 58.338 8.263 42.061 1.00 8.70 N ATOM 465 CA GLY E 65 56.984 8.722 41.711 1.00 8.18 C ATOM 466 C GLY E 65 55.927 8.070 42.575 1.00 9.30 C ATOM 467 O GLY E 65 54.958 8.721 42.894 1.00 9.83 O ATOM 468 N THR E 66 56.120 6.787 42.907 1.00 8.46 N ATOM 469 CA THR E 66 55.135 6.063 43.723 1.00 8.85 C ATOM 470 C THR E 66 55.088 6.627 45.140 1.00 8.63 C ATOM 471 O THR E 66 54.027 6.742 45.737 1.00 8.98 O ATOM 472 CB THR E 66 55.503 4.584 43.772 1.00 8.54 C ATOM 473 OG1 THR E 66 55.361 4.022 42.464 1.00 12.21 O ATOM 474 CG2 THR E 66 54.494 3.793 44.643 1.00 9.67 C ATOM 475 N HIS E 67 56.244 6.955 45.687 1.00 8.83 N ATOM 476 CA HIS E 67 56.311 7.527 47.056 1.00 9.37 C ATOM 477 C HIS E 67 55.647 8.926 47.079 1.00 8.58 C ATOM 478 O HIS E 67 54.820 9.265 47.949 1.00 9.41 O ATOM 479 CB HIS E 67 57.797 7.610 47.450 1.00 9.99 C ATOM 480 CG HIS E 67 58.007 7.872 48.902 1.00 8.48 C ATOM 481 ND1 HIS E 67 57.982 9.154 49.435 1.00 8.40 N ATOM 482 CD2 HIS E 67 58.246 7.011 49.931 1.00 7.66 C ATOM 483 CE1 HIS E 67 58.170 9.059 50.751 1.00 8.29 C ATOM 484 NE2 HIS E 67 58.360 7.777 51.067 1.00 8.48 N ATOM 485 N VAL E 68 55.990 9.718 46.085 1.00 9.10 N ATOM 486 CA VAL E 68 55.439 11.082 45.980 1.00 10.03 C ATOM 487 C VAL E 68 53.913 11.007 45.853 1.00 8.77 C ATOM 488 O VAL E 68 53.178 11.710 46.549 1.00 9.54 O ATOM 489 CB VAL E 68 56.053 11.795 44.754 1.00 9.08 C ATOM 490 CG1 VAL E 68 55.263 13.132 44.420 1.00 9.08 C ATOM 491 CG2 VAL E 68 57.537 12.179 45.029 1.00 8.80 C ATOM 492 N ALA E 69 53.437 10.115 44.992 1.00 9.17 N ATOM 493 CA ALA E 69 51.994 9.915 44.789 1.00 9.11 C ATOM 494 C ALA E 69 51.292 9.512 46.058 1.00 9.34 C ATOM 495 O ALA E 69 50.152 9.928 46.274 1.00 9.16 O ATOM 496 CB ALA E 69 51.724 8.756 43.691 1.00 9.89 C ATOM 497 N GLY E 70 51.916 8.649 46.870 1.00 9.63 N ATOM 498 CA GLY E 70 51.282 8.241 48.117 1.00 9.33 C ATOM 499 C GLY E 70 51.141 9.395 49.097 1.00 9.83 C ATOM 500 O GLY E 70 50.195 9.435 49.858 1.00 9.92 O ATOM 501 N THR E 71 52.081 10.337 49.102 1.00 9.80 N ATOM 502 CA THR E 71 51.889 11.497 49.952 1.00 7.36 C ATOM 503 C THR E 71 50.685 12.355 49.489 1.00 7.83 C ATOM 504 O THR E 71 49.905 12.890 50.298 1.00 7.01 O ATOM 505 CB THR E 71 53.180 12.304 49.960 1.00 6.24 C ATOM 506 OG1 THR E 71 54.174 11.531 50.611 1.00 8.34 O ATOM 507 CG2 THR E 71 53.021 13.586 50.815 1.00 8.33 C ATOM 508 N VAL E 72 50.514 12.480 48.181 1.00 8.45 N ATOM 509 CA VAL E 72 49.373 13.207 47.654 1.00 8.61 C ATOM 510 C VAL E 72 48.080 12.508 47.987 1.00 8.78 C ATOM 511 O VAL E 72 47.126 13.149 48.423 1.00 9.98 O ATOM 512 CB VAL E 72 49.475 13.332 46.075 1.00 8.07 C ATOM 513 CG1 VAL E 72 48.247 14.099 45.536 1.00 9.74 C ATOM 514 CG2 VAL E 72 50.783 14.058 45.673 1.00 7.75 C ATOM 515 N ALA E 73 48.007 11.184 47.770 1.00 9.42 N ATOM 516 CA ALA E 73 46.678 10.570 47.669 1.00 9.89 C ATOM 517 C ALA E 73 46.639 9.093 48.057 1.00 10.18 C ATOM 518 O ALA E 73 45.660 8.412 47.676 1.00 11.12 O ATOM 519 CB ALA E 73 46.166 10.727 46.218 1.00 9.92 C ATOM 520 N ALA E 74 47.593 8.583 48.846 1.00 10.40 N ATOM 521 CA ALA E 74 47.352 7.242 49.425 1.00 10.13 C ATOM 522 C ALA E 74 45.897 7.080 49.996 1.00 10.29 C ATOM 523 O ALA E 74 45.338 7.941 50.706 1.00 10.25 O ATOM 524 CB ALA E 74 48.406 6.844 50.469 1.00 10.13 C ATOM 525 N LEU E 75 45.308 5.914 49.712 1.00 11.37 N ATOM 526 CA LEU E 75 43.875 5.707 49.926 1.00 13.00 C ATOM 527 C LEU E 75 43.532 5.650 51.415 1.00 14.43 C ATOM 528 O LEU E 75 44.320 5.127 52.222 1.00 16.01 O ATOM 529 CB LEU E 75 43.419 4.389 49.240 1.00 13.33 C ATOM 530 CG LEU E 75 43.527 4.345 47.711 1.00 14.36 C ATOM 531 CD1 LEU E 75 43.222 2.982 47.131 1.00 12.88 C ATOM 532 CD2 LEU E 75 42.578 5.406 47.098 1.00 15.85 C ATOM 533 N ASN E 76 42.320 6.095 51.744 1.00 15.00 N ATOM 534 CA ASN E 76 41.743 5.968 53.081 1.00 15.60 C ATOM 535 C ASN E 76 41.014 4.630 53.212 1.00 16.49 C ATOM 536 O ASN E 76 39.852 4.456 52.742 1.00 17.21 O ATOM 537 CB ASN E 76 40.776 7.112 53.387 1.00 17.37 C ATOM 538 CG ASN E 76 40.251 7.040 54.824 1.00 20.56 C ATOM 539 OD1 ASN E 76 40.934 6.522 55.730 1.00 20.90 O ATOM 540 ND2 ASN E 76 38.993 7.453 55.015 1.00 24.61 N ATOM 541 N ASN E 77 41.690 3.707 53.876 1.00 15.76 N ATOM 542 CA ASN E 77 41.239 2.316 53.980 1.00 16.99 C ATOM 543 C ASN E 77 41.833 1.653 55.239 1.00 17.06 C ATOM 544 O ASN E 77 42.147 2.349 56.213 1.00 17.13 O ATOM 545 CB ASN E 77 41.533 1.537 52.667 1.00 17.82 C ATOM 546 CG ASN E 77 43.012 1.600 52.226 1.00 16.01 C ATOM 547 OD1 ASN E 77 43.363 1.335 51.053 1.00 16.50 O ATOM 548 ND2 ASN E 77 43.864 1.875 53.154 1.00 11.64 N ATOM 549 N SER E 78 41.973 0.339 55.252 1.00 17.46 N ATOM 550 CA SER E 78 42.494 -0.272 56.476 1.00 18.92 C ATOM 551 C SER E 78 43.953 -0.711 56.346 1.00 18.21 C ATOM 552 O SER E 78 44.427 -1.508 57.144 1.00 19.70 O ATOM 553 CB SER E 78 41.619 -1.476 56.899 1.00 20.37 C ATOM 554 OG ASER E 78 40.325 -1.047 57.281 0.67 22.59 O ATOM 555 OG BSER E 78 41.222 -2.198 55.775 0.33 17.89 O ATOM 556 N ILE E 79 44.663 -0.200 55.343 1.00 17.31 N ATOM 557 CA ILE E 79 46.054 -0.590 55.117 1.00 16.20 C ATOM 558 C ILE E 79 47.004 0.597 54.941 1.00 15.01 C ATOM 559 O ILE E 79 46.566 1.696 54.571 1.00 15.24 O ATOM 560 CB ILE E 79 46.182 -1.553 53.906 1.00 16.12 C ATOM 561 CG1 ILE E 79 45.720 -0.872 52.614 1.00 16.91 C ATOM 562 CG2 ILE E 79 45.336 -2.838 54.158 1.00 15.97 C ATOM 563 CD1 ILE E 79 46.187 -1.512 51.271 1.00 13.15 C ATOM 564 N GLY E 80 48.300 0.338 55.144 1.00 14.75 N ATOM 565 CA GLY E 80 49.348 1.241 54.675 1.00 13.28 C ATOM 566 C GLY E 80 49.214 2.621 55.302 1.00 14.16 C ATOM 567 O GLY E 80 49.008 2.748 56.495 1.00 14.28 O ATOM 568 N VAL E 81 49.412 3.637 54.483 1.00 12.79 N ATOM 569 CA VAL E 81 49.391 5.031 54.917 1.00 12.74 C ATOM 570 C VAL E 81 48.144 5.730 54.396 1.00 13.12 C ATOM 571 O VAL E 81 47.416 5.121 53.633 1.00 15.18 O ATOM 572 CB VAL E 81 50.660 5.780 54.438 1.00 11.71 C ATOM 573 CG1 VAL E 81 51.898 5.223 55.186 1.00 12.81 C ATOM 574 CG2 VAL E 81 50.819 5.747 52.886 1.00 12.04 C ATOM 575 N LEU E 82 47.916 6.984 54.808 1.00 12.52 N ATOM 576 CA LEU E 82 46.809 7.835 54.334 1.00 12.45 C ATOM 577 C LEU E 82 47.454 9.028 53.648 1.00 12.42 C ATOM 578 O LEU E 82 48.379 9.606 54.229 1.00 12.77 O ATOM 579 CB LEU E 82 46.033 8.383 55.536 1.00 12.64 C ATOM 580 CG LEU E 82 44.848 9.326 55.276 1.00 15.09 C ATOM 581 CD1 LEU E 82 43.778 8.626 54.390 1.00 15.88 C ATOM 582 CD2 LEU E 82 44.240 9.918 56.593 1.00 18.65 C ATOM 583 N GLY E 83 46.995 9.381 52.447 1.00 10.88 N ATOM 584 CA GLY E 83 47.481 10.571 51.746 1.00 12.17 C ATOM 585 C GLY E 83 46.842 11.857 52.266 1.00 11.15 C ATOM 586 O GLY E 83 45.852 11.861 53.043 1.00 10.97 O ATOM 587 N VAL E 84 47.399 12.983 51.817 1.00 10.71 N ATOM 588 CA VAL E 84 46.829 14.299 52.122 1.00 10.84 C ATOM 589 C VAL E 84 45.432 14.455 51.532 1.00 9.77 C ATOM 590 O VAL E 84 44.510 14.949 52.230 1.00 11.14 O ATOM 591 CB VAL E 84 47.778 15.421 51.645 1.00 10.13 C ATOM 592 CG1 VAL E 84 47.168 16.834 51.750 1.00 11.80 C ATOM 593 CG2 VAL E 84 49.125 15.316 52.416 1.00 9.80 C ATOM 594 N ALA E 85 45.260 13.996 50.280 1.00 11.26 N ATOM 595 CA ALA E 85 44.010 14.136 49.550 1.00 9.93 C ATOM 596 C ALA E 85 43.597 12.741 49.039 1.00 12.15 C ATOM 597 O ALA E 85 43.763 12.426 47.870 1.00 10.83 O ATOM 598 CB ALA E 85 44.199 15.105 48.391 1.00 11.05 C ATOM 599 N PRO E 86 43.103 11.890 49.949 1.00 12.00 N ATOM 600 CA PRO E 86 42.992 10.449 49.637 1.00 11.71 C ATOM 601 C PRO E 86 41.977 10.121 48.573 1.00 12.14 C ATOM 602 O PRO E 86 42.000 8.968 48.103 1.00 12.64 O ATOM 603 CB PRO E 86 42.594 9.790 50.998 1.00 12.85 C ATOM 604 CG PRO E 86 42.127 10.844 51.821 1.00 13.97 C ATOM 605 CD PRO E 86 42.654 12.228 51.309 1.00 11.39 C ATOM 606 N SER E 87 41.067 11.054 48.266 1.00 11.29 N ATOM 607 CA SER E 87 40.097 10.829 47.170 1.00 13.23 C ATOM 608 C SER E 87 40.504 11.511 45.861 1.00 12.82 C ATOM 609 O SER E 87 39.702 11.537 44.941 1.00 12.70 O ATOM 610 CB SER E 87 38.694 11.349 47.506 1.00 15.33 C ATOM 611 OG SER E 87 38.209 10.768 48.708 1.00 17.46 O ATOM 612 N ALA E 88 41.696 12.109 45.786 1.00 13.21 N ATOM 613 CA ALA E 88 42.043 12.885 44.589 1.00 12.92 C ATOM 614 C ALA E 88 42.196 11.925 43.387 1.00 12.94 C ATOM 615 O ALA E 88 42.518 10.731 43.566 1.00 11.79 O ATOM 616 CB ALA E 88 43.381 13.653 44.818 1.00 13.12 C ATOM 617 N SER E 89 41.982 12.455 42.175 1.00 12.54 N ATOM 618 CA SER E 89 42.216 11.726 40.937 1.00 12.79 C ATOM 619 C SER E 89 43.692 11.865 40.571 1.00 12.53 C ATOM 620 O SER E 89 44.120 12.926 40.190 1.00 13.20 O ATOM 621 CB SER E 89 41.354 12.285 39.794 1.00 13.19 C ATOM 622 OG SER E 89 39.958 12.009 40.017 1.00 14.43 O ATOM 623 N LEU E 90 44.427 10.784 40.776 1.00 13.36 N ATOM 624 CA LEU E 90 45.876 10.786 40.653 1.00 13.00 C ATOM 625 C LEU E 90 46.303 10.423 39.233 1.00 13.70 C ATOM 626 O LEU E 90 45.902 9.366 38.722 1.00 13.29 O ATOM 627 CB LEU E 90 46.364 9.732 41.663 1.00 14.23 C ATOM 628 CG LEU E 90 47.773 9.574 42.120 1.00 18.02 C ATOM 629 CD1 LEU E 90 48.318 10.931 42.642 1.00 17.23 C ATOM 630 CD2 LEU E 90 47.783 8.477 43.223 1.00 17.17 C ATOM 631 N TYR E 91 47.128 11.265 38.594 1.00 11.92 N ATOM 632 CA TYR E 91 47.582 11.014 37.223 1.00 11.64 C ATOM 633 C TYR E 91 49.088 10.830 37.177 1.00 12.84 C ATOM 634 O TYR E 91 49.848 11.720 37.640 1.00 13.56 O ATOM 635 CB TYR E 91 47.155 12.158 36.294 1.00 10.35 C ATOM 636 CG TYR E 91 45.626 12.170 36.082 1.00 12.93 C ATOM 637 CD1 TYR E 91 44.781 12.785 36.994 1.00 13.36 C ATOM 638 CD2 TYR E 91 45.035 11.511 34.990 1.00 13.83 C ATOM 639 CE1 TYR E 91 43.407 12.755 36.831 1.00 13.10 C ATOM 640 CE2 TYR E 91 43.663 11.520 34.834 1.00 14.63 C ATOM 641 CZ TYR E 91 42.870 12.134 35.764 1.00 12.03 C ATOM 642 OH TYR E 91 41.487 12.122 35.597 1.00 17.61 O ATOM 643 N ALA E 92 49.477 9.673 36.635 1.00 10.84 N ATOM 644 CA ALA E 92 50.861 9.291 36.451 1.00 11.23 C ATOM 645 C ALA E 92 51.389 9.874 35.187 1.00 11.05 C ATOM 646 O ALA E 92 51.113 9.363 34.100 1.00 11.11 O ATOM 647 CB ALA E 92 51.013 7.771 36.475 1.00 11.05 C ATOM 648 N VAL E 93 52.136 10.990 35.304 1.00 10.89 N ATOM 649 CA VAL E 93 52.761 11.610 34.102 1.00 10.00 C ATOM 650 C VAL E 93 54.255 11.324 34.141 1.00 11.31 C ATOM 651 O VAL E 93 55.020 12.017 34.837 1.00 10.50 O ATOM 652 CB VAL E 93 52.431 13.145 34.029 1.00 9.91 C ATOM 653 CG1 VAL E 93 53.008 13.759 32.739 1.00 10.62 C ATOM 654 CG2 VAL E 93 50.951 13.324 34.117 1.00 8.55 C ATOM 655 N LYS E 94 54.651 10.264 33.429 1.00 10.05 N ATOM 656 CA LYS E 94 56.007 9.744 33.525 1.00 10.99 C ATOM 657 C LYS E 94 56.965 10.566 32.646 1.00 12.27 C ATOM 658 O LYS E 94 56.889 10.553 31.389 1.00 12.01 O ATOM 659 CB LYS E 94 56.032 8.265 33.114 1.00 11.95 C ATOM 660 CG LYS E 94 57.375 7.647 33.311 1.00 14.17 C ATOM 661 CD LYS E 94 57.332 6.073 33.279 1.00 18.01 C ATOM 662 CE LYS E 94 58.723 5.621 32.865 1.00 25.59 C ATOM 663 NZ LYS E 94 59.797 5.689 33.940 1.00 29.64 N ATOM 664 N VAL E 95 57.906 11.252 33.296 1.00 11.16 N ATOM 665 CA VAL E 95 58.900 12.062 32.561 1.00 10.86 C ATOM 666 C VAL E 95 60.326 11.748 33.003 1.00 12.06 C ATOM 667 O VAL E 95 61.309 12.304 32.443 1.00 12.96 O ATOM 668 CB VAL E 95 58.600 13.599 32.714 1.00 10.55 C ATOM 669 CG1 VAL E 95 57.194 13.919 32.260 1.00 10.25 C ATOM 670 CG2 VAL E 95 58.934 14.077 34.195 1.00 10.93 C ATOM 671 N LEU E 96 60.453 10.882 34.013 1.00 10.81 N ATOM 672 CA LEU E 96 61.759 10.422 34.457 1.00 10.99 C ATOM 673 C LEU E 96 61.904 8.923 34.223 1.00 12.54 C ATOM 674 O LEU E 96 60.959 8.169 34.434 1.00 11.99 O ATOM 675 CB LEU E 96 61.967 10.711 35.967 1.00 11.50 C ATOM 676 CG LEU E 96 61.741 12.154 36.461 1.00 11.45 C ATOM 677 CD1 LEU E 96 61.808 12.244 38.009 1.00 12.84 C ATOM 678 CD2 LEU E 96 62.750 13.048 35.780 1.00 15.26 C ATOM 679 N GLY E 97 63.089 8.463 33.844 1.00 13.20 N ATOM 680 CA GLY E 97 63.283 7.016 33.739 1.00 13.50 C ATOM 681 C GLY E 97 63.666 6.302 35.004 1.00 15.25 C ATOM 682 O GLY E 97 63.666 6.865 36.098 1.00 14.96 O ATOM 683 N ALA E 98 63.986 5.017 34.849 1.00 15.81 N ATOM 684 CA ALA E 98 64.272 4.155 35.961 1.00 17.18 C ATOM 685 C ALA E 98 65.387 4.681 36.852 1.00 16.98 C ATOM 686 O ALA E 98 65.377 4.391 38.049 1.00 17.70 O ATOM 687 CB ALA E 98 64.618 2.749 35.458 1.00 17.45 C ATOM 688 N ASP E 99 66.338 5.411 36.265 1.00 16.84 N ATOM 689 CA ASP E 99 67.465 5.975 37.017 1.00 16.85 C ATOM 690 C ASP E 99 67.165 7.322 37.667 1.00 16.25 C ATOM 691 O ASP E 99 68.043 7.932 38.274 1.00 15.95 O ATOM 692 CB ASP E 99 68.746 6.038 36.170 1.00 17.80 C ATOM 693 CG ASP E 99 68.712 7.136 35.113 1.00 22.45 C ATOM 694 OD1 ASP E 99 67.679 7.790 34.896 1.00 23.29 O ATOM 695 OD2 ASP E 99 69.702 7.389 34.392 1.00 29.17 O ATOM 696 N GLY E 100 65.913 7.765 37.573 1.00 14.64 N ATOM 697 CA GLY E 100 65.521 8.980 38.280 1.00 15.41 C ATOM 698 C GLY E 100 65.880 10.286 37.609 1.00 15.46 C ATOM 699 O GLY E 100 65.795 11.359 38.248 1.00 15.80 O ATOM 700 N SER E 101 66.237 10.216 36.322 1.00 15.43 N ATOM 701 CA SER E 101 66.584 11.417 35.569 1.00 14.65 C ATOM 702 C SER E 101 65.733 11.510 34.288 1.00 14.50 C ATOM 703 O SER E 101 65.146 10.518 33.824 1.00 14.37 O ATOM 704 CB SER E 101 68.098 11.420 35.273 1.00 17.02 C ATOM 705 OG SER E 101 68.368 10.622 34.143 1.00 18.16 O ATOM 706 N GLY E 102 65.634 12.698 33.751 1.00 15.17 N ATOM 707 CA GLY E 102 64.843 12.975 32.555 1.00 15.52 C ATOM 708 C GLY E 102 65.423 14.129 31.767 1.00 16.33 C ATOM 709 O GLY E 102 66.112 14.972 32.311 1.00 15.44 O ATOM 710 N GLN E 103 65.131 14.152 30.467 1.00 15.75 N ATOM 711 CA GLN E 103 65.460 15.278 29.612 1.00 17.31 C ATOM 712 C GLN E 103 64.454 16.396 29.796 1.00 16.75 C ATOM 713 O GLN E 103 63.268 16.115 30.009 1.00 15.16 O ATOM 714 CB GLN E 103 65.431 14.812 28.145 1.00 18.21 C ATOM 715 CG GLN E 103 66.421 13.725 27.842 1.00 19.89 C ATOM 716 CD GLN E 103 67.842 14.120 28.207 1.00 24.10 C ATOM 717 OE1 GLN E 103 68.318 15.177 27.787 1.00 28.99 O ATOM 718 NE2 GLN E 103 68.509 13.298 29.017 1.00 28.54 N ATOM 719 N TYR E 104 64.897 17.658 29.651 1.00 16.87 N ATOM 720 CA TYR E 104 64.019 18.807 29.784 1.00 18.01 C ATOM 721 C TYR E 104 62.838 18.639 28.852 1.00 17.93 C ATOM 722 O TYR E 104 61.717 18.978 29.202 1.00 17.68 O ATOM 723 CB TYR E 104 64.758 20.140 29.476 1.00 18.27 C ATOM 724 CG TYR E 104 65.546 20.667 30.664 1.00 18.46 C ATOM 725 CD1 TYR E 104 66.539 19.870 31.291 1.00 19.49 C ATOM 726 CD2 TYR E 104 65.306 21.935 31.170 1.00 18.72 C ATOM 727 CE1 TYR E 104 67.288 20.348 32.373 1.00 19.72 C ATOM 728 CE2 TYR E 104 66.065 22.429 32.265 1.00 18.96 C ATOM 729 CZ TYR E 104 67.037 21.632 32.857 1.00 21.63 C ATOM 730 OH TYR E 104 67.756 22.128 33.956 1.00 26.32 O ATOM 731 N SER E 105 63.061 18.108 27.651 1.00 16.42 N ATOM 732 CA SER E 105 61.946 18.040 26.698 1.00 16.83 C ATOM 733 C SER E 105 60.849 17.050 27.168 1.00 15.98 C ATOM 734 O SER E 105 59.653 17.214 26.837 1.00 14.63 O ATOM 735 CB SER E 105 62.487 17.679 25.278 1.00 16.65 C ATOM 736 OG SER E 105 63.014 16.341 25.264 1.00 18.97 O ATOM 737 N TRP E 106 61.264 16.006 27.905 1.00 15.10 N ATOM 738 CA TRP E 106 60.289 15.032 28.468 1.00 13.99 C ATOM 739 C TRP E 106 59.432 15.697 29.537 1.00 13.27 C ATOM 740 O TRP E 106 58.207 15.527 29.561 1.00 12.33 O ATOM 741 CB TRP E 106 60.984 13.845 29.082 1.00 12.77 C ATOM 742 CG TRP E 106 61.962 13.120 28.185 1.00 15.01 C ATOM 743 CD1 TRP E 106 62.186 13.315 26.818 1.00 16.93 C ATOM 744 CD2 TRP E 106 62.856 12.078 28.590 1.00 14.45 C ATOM 745 NE1 TRP E 106 63.177 12.459 26.388 1.00 19.00 N ATOM 746 CE2 TRP E 106 63.597 11.680 27.439 1.00 16.27 C ATOM 747 CE3 TRP E 106 63.112 11.427 29.815 1.00 15.57 C ATOM 748 CZ2 TRP E 106 64.573 10.665 27.482 1.00 15.00 C ATOM 749 CZ3 TRP E 106 64.072 10.421 29.864 1.00 14.26 C ATOM 750 CH2 TRP E 106 64.801 10.045 28.700 1.00 15.82 C ATOM 751 N ILE E 107 60.080 16.490 30.398 1.00 13.39 N ATOM 752 CA ILE E 107 59.359 17.231 31.439 1.00 13.36 C ATOM 753 C ILE E 107 58.360 18.199 30.824 1.00 13.02 C ATOM 754 O ILE E 107 57.198 18.239 31.228 1.00 13.61 O ATOM 755 CB ILE E 107 60.334 17.964 32.441 1.00 12.01 C ATOM 756 CG1 ILE E 107 60.885 16.926 33.444 1.00 15.20 C ATOM 757 CG2 ILE E 107 59.603 19.077 33.190 1.00 14.63 C ATOM 758 CD1 ILE E 107 61.997 16.061 32.942 1.00 15.58 C ATOM 759 N ILE E 108 58.823 18.936 29.801 1.00 12.89 N ATOM 760 CA ILE E 108 57.977 19.910 29.137 1.00 12.94 C ATOM 761 C ILE E 108 56.787 19.194 28.481 1.00 12.98 C ATOM 762 O ILE E 108 55.653 19.659 28.598 1.00 12.90 O ATOM 763 CB ILE E 108 58.803 20.735 28.142 1.00 13.03 C ATOM 764 CG1 ILE E 108 59.747 21.672 28.928 1.00 12.96 C ATOM 765 CG2 ILE E 108 57.906 21.582 27.241 1.00 14.77 C ATOM 766 CD1 ILE E 108 60.954 22.173 28.134 1.00 12.96 C ATOM 767 N ASN E 109 57.053 18.045 27.848 1.00 12.91 N ATOM 768 CA ASN E 109 55.954 17.262 27.262 1.00 12.74 C ATOM 769 C ASN E 109 54.937 16.844 28.321 1.00 12.61 C ATOM 770 O ASN E 109 53.705 16.843 28.077 1.00 13.51 O ATOM 771 CB ASN E 109 56.455 16.023 26.526 1.00 14.51 C ATOM 772 CG ASN E 109 57.070 16.362 25.170 1.00 18.59 C ATOM 773 OD1 ASN E 109 57.882 15.595 24.631 1.00 24.54 O ATOM 774 ND2 ASN E 109 56.722 17.526 24.629 1.00 18.08 N ATOM 775 N GLY E 110 55.438 16.506 29.514 1.00 12.31 N ATOM 776 CA GLY E 110 54.553 16.095 30.598 1.00 11.97 C ATOM 777 C GLY E 110 53.721 17.265 31.045 1.00 11.31 C ATOM 778 O GLY E 110 52.536 17.107 31.271 1.00 10.12 O ATOM 779 N ILE E 111 54.353 18.446 31.203 1.00 10.24 N ATOM 780 CA ILE E 111 53.607 19.633 31.565 1.00 10.83 C ATOM 781 C ILE E 111 52.532 19.946 30.497 1.00 11.20 C ATOM 782 O ILE E 111 51.413 20.250 30.855 1.00 10.83 O ATOM 783 CB ILE E 111 54.526 20.844 31.795 1.00 10.56 C ATOM 784 CG1 ILE E 111 55.448 20.616 32.992 1.00 9.94 C ATOM 785 CG2 ILE E 111 53.712 22.160 32.010 1.00 10.88 C ATOM 786 CD1 ILE E 111 56.748 21.463 32.922 1.00 10.56 C ATOM 787 N GLU E 112 52.865 19.843 29.214 1.00 12.55 N ATOM 788 CA GLU E 112 51.893 20.139 28.130 1.00 12.24 C ATOM 789 C GLU E 112 50.725 19.147 28.153 1.00 12.07 C ATOM 790 O GLU E 112 49.593 19.548 27.952 1.00 12.50 O ATOM 791 CB GLU E 112 52.553 20.118 26.757 1.00 14.34 C ATOM 792 CG GLU E 112 53.671 21.151 26.582 1.00 18.26 C ATOM 793 CD GLU E 112 53.155 22.542 26.287 1.00 27.18 C ATOM 794 OE1 GLU E 112 51.927 22.726 26.254 1.00 27.73 O ATOM 795 OE2 GLU E 112 53.998 23.468 26.081 1.00 30.56 O ATOM 796 N TRP E 113 51.006 17.878 28.495 1.00 11.69 N ATOM 797 CA TRP E 113 49.933 16.870 28.615 1.00 11.56 C ATOM 798 C TRP E 113 48.990 17.235 29.765 1.00 10.43 C ATOM 799 O TRP E 113 47.781 17.175 29.632 1.00 12.36 O ATOM 800 CB TRP E 113 50.553 15.491 28.808 1.00 12.54 C ATOM 801 CG TRP E 113 49.527 14.386 28.912 1.00 10.22 C ATOM 802 CD1 TRP E 113 49.115 13.522 27.911 1.00 13.16 C ATOM 803 CD2 TRP E 113 48.781 14.008 30.093 1.00 11.32 C ATOM 804 NE1 TRP E 113 48.123 12.678 28.382 1.00 13.45 N ATOM 805 CE2 TRP E 113 47.909 12.936 29.722 1.00 13.57 C ATOM 806 CE3 TRP E 113 48.731 14.485 31.410 1.00 13.85 C ATOM 807 CZ2 TRP E 113 47.044 12.331 30.631 1.00 13.42 C ATOM 808 CZ3 TRP E 113 47.856 13.905 32.300 1.00 10.70 C ATOM 809 CH2 TRP E 113 47.007 12.832 31.905 1.00 16.40 C ATOM 810 N ALA E 114 49.558 17.740 30.869 1.00 9.19 N ATOM 811 CA ALA E 114 48.747 18.084 32.028 1.00 9.63 C ATOM 812 C ALA E 114 47.844 19.277 31.686 1.00 10.12 C ATOM 813 O ALA E 114 46.689 19.282 32.070 1.00 9.95 O ATOM 814 CB ALA E 114 49.660 18.423 33.227 1.00 8.73 C ATOM 815 N ILE E 115 48.367 20.240 30.927 1.00 10.17 N ATOM 816 CA ILE E 115 47.544 21.400 30.558 1.00 12.16 C ATOM 817 C ILE E 115 46.416 20.955 29.611 1.00 12.57 C ATOM 818 O ILE E 115 45.248 21.320 29.801 1.00 13.86 O ATOM 819 CB ILE E 115 48.379 22.412 29.834 1.00 11.41 C ATOM 820 CG1 ILE E 115 49.502 22.995 30.758 1.00 13.14 C ATOM 821 CG2 ILE E 115 47.500 23.524 29.200 1.00 16.02 C ATOM 822 CD1 ILE E 115 50.594 23.740 30.001 1.00 15.08 C ATOM 823 N ALA E 116 46.778 20.180 28.596 1.00 14.42 N ATOM 824 CA ALA E 116 45.791 19.793 27.561 1.00 15.46 C ATOM 825 C ALA E 116 44.702 18.945 28.211 1.00 15.78 C ATOM 826 O ALA E 116 43.540 18.981 27.778 1.00 16.35 O ATOM 827 CB ALA E 116 46.462 18.995 26.460 1.00 15.73 C ATOM 828 N ASN E 117 45.068 18.168 29.231 1.00 14.06 N ATOM 829 CA ASN E 117 44.107 17.290 29.929 1.00 14.33 C ATOM 830 C ASN E 117 43.429 17.910 31.147 1.00 14.26 C ATOM 831 O ASN E 117 42.805 17.188 31.956 1.00 14.43 O ATOM 832 CB ASN E 117 44.729 15.906 30.230 1.00 13.56 C ATOM 833 CG ASN E 117 44.869 15.055 28.955 1.00 18.46 C ATOM 834 OD1 ASN E 117 43.945 14.372 28.551 1.00 22.38 O ATOM 835 ND2 ASN E 117 45.999 15.162 28.292 1.00 15.29 N ATOM 836 N ASN E 118 43.539 19.240 31.272 1.00 13.13 N ATOM 837 CA ASN E 118 42.777 20.008 32.263 1.00 14.29 C ATOM 838 C ASN E 118 43.079 19.553 33.701 1.00 13.97 C ATOM 839 O ASN E 118 42.160 19.455 34.516 1.00 13.78 O ATOM 840 CB ASN E 118 41.260 19.860 31.966 1.00 15.00 C ATOM 841 CG ASN E 118 40.410 21.088 32.350 1.00 18.65 C ATOM 842 OD1 ASN E 118 39.198 20.945 32.624 1.00 22.86 O ATOM 843 ND2 ASN E 118 40.986 22.283 32.296 1.00 19.62 N ATOM 844 N MET E 119 44.344 19.239 34.012 1.00 11.73 N ATOM 845 CA MET E 119 44.704 18.995 35.429 1.00 11.99 C ATOM 846 C MET E 119 44.470 20.229 36.252 1.00 12.36 C ATOM 847 O MET E 119 44.658 21.366 35.793 1.00 12.42 O ATOM 848 CB MET E 119 46.191 18.604 35.547 1.00 11.26 C ATOM 849 CG MET E 119 46.485 17.327 34.737 1.00 11.67 C ATOM 850 SD MET E 119 45.820 15.809 35.529 1.00 12.46 S ATOM 851 CE MET E 119 44.707 15.265 34.217 1.00 14.41 C ATOM 852 N ASP E 120 44.049 20.018 37.489 1.00 12.02 N ATOM 853 CA ASP E 120 43.861 21.101 38.430 1.00 11.73 C ATOM 854 C ASP E 120 45.162 21.458 39.150 1.00 11.18 C ATOM 855 O ASP E 120 45.344 22.614 39.562 1.00 10.86 O ATOM 856 CB ASP E 120 42.845 20.664 39.490 1.00 12.73 C ATOM 857 CG ASP E 120 41.450 20.340 38.899 1.00 13.20 C ATOM 858 OD1 ASP E 120 40.867 21.263 38.274 1.00 15.45 O ATOM 859 OD2 ASP E 120 40.878 19.245 39.068 1.00 13.68 O ATOM 860 N VAL E 121 46.016 20.471 39.349 1.00 10.38 N ATOM 861 CA VAL E 121 47.234 20.660 40.145 1.00 10.59 C ATOM 862 C VAL E 121 48.335 19.868 39.481 1.00 10.17 C ATOM 863 O VAL E 121 48.106 18.739 39.022 1.00 11.40 O ATOM 864 CB VAL E 121 47.058 20.109 41.617 1.00 10.74 C ATOM 865 CG1 VAL E 121 48.357 20.338 42.447 1.00 10.72 C ATOM 866 CG2 VAL E 121 45.828 20.696 42.339 1.00 10.40 C ATOM 867 N ILE E 122 49.531 20.438 39.442 1.00 9.44 N ATOM 868 CA ILE E 122 50.733 19.720 38.977 1.00 9.75 C ATOM 869 C ILE E 122 51.703 19.652 40.143 1.00 9.80 C ATOM 870 O ILE E 122 51.954 20.647 40.787 1.00 9.72 O ATOM 871 CB ILE E 122 51.444 20.419 37.787 1.00 9.33 C ATOM 872 CG1 ILE E 122 50.662 20.137 36.495 1.00 9.99 C ATOM 873 CG2 ILE E 122 52.966 20.029 37.694 1.00 9.22 C ATOM 874 CD1 ILE E 122 51.068 21.163 35.427 1.00 11.49 C ATOM 875 N ASN E 123 52.224 18.456 40.394 1.00 7.87 N ATOM 876 CA ASN E 123 53.379 18.323 41.322 1.00 8.00 C ATOM 877 C ASN E 123 54.634 17.917 40.596 1.00 8.45 C ATOM 878 O ASN E 123 54.611 16.902 39.869 1.00 9.02 O ATOM 879 CB ASN E 123 53.094 17.235 42.348 1.00 7.40 C ATOM 880 CG ASN E 123 54.196 17.146 43.380 1.00 9.98 C ATOM 881 OD1 ASN E 123 54.180 17.904 44.351 1.00 10.29 O ATOM 882 ND2 ASN E 123 55.198 16.264 43.155 1.00 10.93 N ATOM 883 N MET E 124 55.730 18.694 40.767 1.00 7.66 N ATOM 884 CA MET E 124 57.045 18.335 40.202 1.00 8.58 C ATOM 885 C MET E 124 58.097 18.187 41.311 1.00 8.38 C ATOM 886 O MET E 124 58.700 19.160 41.755 1.00 8.28 O ATOM 887 CB MET E 124 57.472 19.380 39.193 1.00 6.95 C ATOM 888 CG MET E 124 56.666 19.227 37.884 1.00 10.81 C ATOM 889 SD MET E 124 57.066 20.441 36.618 1.00 13.83 S ATOM 890 CE MET E 124 56.421 21.797 37.269 1.00 12.63 C ATOM 891 N SER E 125 58.284 16.950 41.771 1.00 9.93 N ATOM 892 CA SER E 125 59.313 16.650 42.779 1.00 8.45 C ATOM 893 C SER E 125 60.610 16.376 42.013 1.00 8.42 C ATOM 894 O SER E 125 61.178 15.303 42.112 1.00 9.29 O ATOM 895 CB SER E 125 58.883 15.473 43.636 1.00 8.81 C ATOM 896 OG SER E 125 57.822 15.936 44.481 1.00 8.51 O ATOM 897 N LEU E 126 61.059 17.387 41.283 1.00 9.20 N ATOM 898 CA LEU E 126 62.189 17.253 40.397 1.00 10.28 C ATOM 899 C LEU E 126 62.752 18.627 40.088 1.00 11.39 C ATOM 900 O LEU E 126 62.133 19.684 40.344 1.00 11.02 O ATOM 901 CB LEU E 126 61.778 16.558 39.081 1.00 10.72 C ATOM 902 CG LEU E 126 60.556 17.089 38.299 1.00 12.19 C ATOM 903 CD1 LEU E 126 60.840 18.390 37.559 1.00 12.86 C ATOM 904 CD2 LEU E 126 60.080 16.072 37.289 1.00 11.44 C ATOM 905 N GLY E 127 63.958 18.608 39.557 1.00 11.95 N ATOM 906 CA GLY E 127 64.472 19.830 38.995 1.00 12.26 C ATOM 907 C GLY E 127 65.926 19.736 38.573 1.00 14.58 C ATOM 908 O GLY E 127 66.523 18.643 38.544 1.00 13.15 O ATOM 909 N GLY E 128 66.436 20.888 38.152 1.00 15.24 N ATOM 910 CA GLY E 128 67.849 21.033 37.781 1.00 17.33 C ATOM 911 C GLY E 128 68.346 22.447 38.084 1.00 18.13 C ATOM 912 O GLY E 128 67.589 23.346 38.331 1.00 16.57 O ATOM 913 N PRO E 129 69.666 22.655 38.085 1.00 21.17 N ATOM 914 CA PRO E 129 70.221 23.934 38.575 1.00 22.70 C ATOM 915 C PRO E 129 70.090 25.112 37.599 1.00 24.42 C ATOM 916 O PRO E 129 70.165 26.279 38.044 1.00 25.58 O ATOM 917 CB PRO E 129 71.689 23.628 38.844 1.00 23.56 C ATOM 918 CG PRO E 129 71.979 22.431 38.033 1.00 21.99 C ATOM 919 CD PRO E 129 70.685 21.687 37.670 1.00 21.58 C ATOM 920 N SER E 130 69.888 24.795 36.322 1.00 25.92 N ATOM 921 CA SER E 130 69.647 25.810 35.288 1.00 26.84 C ATOM 922 C SER E 130 68.284 25.592 34.662 1.00 27.16 C ATOM 923 O SER E 130 67.817 24.455 34.559 1.00 27.07 O ATOM 924 CB SER E 130 70.706 25.690 34.202 1.00 27.56 C ATOM 925 OG ASER E 130 70.961 24.326 33.908 0.67 28.23 O ATOM 926 OG BSER E 130 71.972 26.046 34.731 0.33 26.16 O ATOM 927 N GLY E 131 67.623 26.675 34.260 1.00 26.91 N ATOM 928 CA GLY E 131 66.340 26.488 33.609 1.00 24.97 C ATOM 929 C GLY E 131 66.523 26.440 32.102 1.00 24.97 C ATOM 930 O GLY E 131 67.629 26.242 31.584 1.00 24.68 O ATOM 931 N SER E 132 65.418 26.592 31.400 1.00 22.67 N ATOM 932 CA SER E 132 65.457 26.849 29.974 1.00 20.33 C ATOM 933 C SER E 132 64.250 27.680 29.681 1.00 19.59 C ATOM 934 O SER E 132 63.226 27.628 30.415 1.00 17.34 O ATOM 935 CB SER E 132 65.448 25.558 29.149 1.00 21.41 C ATOM 936 OG SER E 132 64.140 24.978 29.122 1.00 19.35 O ATOM 937 N ALA E 133 64.346 28.479 28.608 1.00 18.98 N ATOM 938 CA ALA E 133 63.230 29.313 28.229 1.00 18.92 C ATOM 939 C ALA E 133 61.990 28.459 27.936 1.00 17.30 C ATOM 940 O ALA E 133 60.886 28.873 28.259 1.00 17.54 O ATOM 941 CB ALA E 133 63.571 30.247 27.023 1.00 17.88 C ATOM 942 N ALA E 134 62.189 27.262 27.361 1.00 17.28 N ATOM 943 CA ALA E 134 61.071 26.373 27.050 1.00 15.49 C ATOM 944 C ALA E 134 60.392 25.811 28.283 1.00 13.93 C ATOM 945 O ALA E 134 59.187 25.684 28.302 1.00 14.91 O ATOM 946 CB ALA E 134 61.504 25.216 26.126 1.00 15.35 C ATOM 947 N LEU E 135 61.187 25.500 29.303 1.00 14.03 N ATOM 948 CA LEU E 135 60.637 25.048 30.568 1.00 13.57 C ATOM 949 C LEU E 135 59.876 26.175 31.231 1.00 12.94 C ATOM 950 O LEU E 135 58.740 25.988 31.699 1.00 12.89 O ATOM 951 CB LEU E 135 61.756 24.527 31.491 1.00 13.38 C ATOM 952 CG LEU E 135 61.379 24.130 32.907 1.00 13.68 C ATOM 953 CD1 LEU E 135 60.435 22.907 32.863 1.00 14.58 C ATOM 954 CD2 LEU E 135 62.607 23.865 33.692 1.00 14.39 C ATOM 955 N LYS E 136 60.465 27.377 31.265 1.00 12.95 N ATOM 956 CA LYS E 136 59.731 28.498 31.805 1.00 13.40 C ATOM 957 C LYS E 136 58.386 28.748 31.080 1.00 14.57 C ATOM 958 O LYS E 136 57.319 28.973 31.706 1.00 13.56 O ATOM 959 CB LYS E 136 60.596 29.763 31.773 1.00 13.72 C ATOM 960 CG LYS E 136 59.850 30.916 32.419 1.00 14.35 C ATOM 961 CD LYS E 136 60.742 32.166 32.585 1.00 18.32 C ATOM 962 CE LYS E 136 60.083 33.165 33.506 1.00 16.46 C ATOM 963 NZ LYS E 136 58.865 33.796 32.949 1.00 22.75 N ATOM 964 N ALA E 137 58.419 28.747 29.746 1.00 14.56 N ATOM 965 CA ALA E 137 57.197 28.936 28.974 1.00 14.89 C ATOM 966 C ALA E 137 56.103 27.932 29.362 1.00 13.17 C ATOM 967 O ALA E 137 54.928 28.307 29.455 1.00 13.24 O ATOM 968 CB ALA E 137 57.506 28.870 27.465 1.00 15.33 C ATOM 969 N ALA E 138 56.500 26.675 29.589 1.00 12.36 N ATOM 970 CA ALA E 138 55.545 25.595 29.842 1.00 12.49 C ATOM 971 C ALA E 138 54.889 25.805 31.199 1.00 11.42 C ATOM 972 O ALA E 138 53.665 25.679 31.305 1.00 11.87 O ATOM 973 CB ALA E 138 56.256 24.255 29.806 1.00 11.57 C ATOM 974 N VAL E 139 55.683 26.098 32.247 1.00 12.12 N ATOM 975 CA VAL E 139 55.049 26.307 33.562 1.00 11.72 C ATOM 976 C VAL E 139 54.224 27.598 33.559 1.00 12.08 C ATOM 977 O VAL E 139 53.152 27.694 34.160 1.00 12.25 O ATOM 978 CB VAL E 139 56.024 26.228 34.779 1.00 12.53 C ATOM 979 CG1 VAL E 139 56.675 24.829 34.855 1.00 10.86 C ATOM 980 CG2 VAL E 139 57.128 27.298 34.679 1.00 11.04 C ATOM 981 N ASP E 140 54.678 28.597 32.808 1.00 12.98 N ATOM 982 CA ASP E 140 53.920 29.851 32.809 1.00 12.78 C ATOM 983 C ASP E 140 52.596 29.638 32.103 1.00 12.17 C ATOM 984 O ASP E 140 51.576 30.150 32.538 1.00 13.60 O ATOM 985 CB ASP E 140 54.711 30.905 32.049 1.00 12.37 C ATOM 986 CG ASP E 140 55.847 31.518 32.879 1.00 16.96 C ATOM 987 OD1 ASP E 140 56.024 31.170 34.102 1.00 17.04 O ATOM 988 OD2 ASP E 140 56.636 32.363 32.347 1.00 19.45 O ATOM 989 N LYS E 141 52.616 28.878 31.007 1.00 13.71 N ATOM 990 CA LYS E 141 51.394 28.482 30.298 1.00 12.55 C ATOM 991 C LYS E 141 50.433 27.707 31.178 1.00 11.79 C ATOM 992 O LYS E 141 49.241 27.991 31.230 1.00 12.68 O ATOM 993 CB LYS E 141 51.795 27.652 29.058 1.00 11.94 C ATOM 994 CG LYS E 141 50.642 27.197 28.168 1.00 15.57 C ATOM 995 CD LYS E 141 51.195 26.220 27.082 1.00 17.19 C ATOM 996 CE LYS E 141 50.107 25.476 26.231 1.00 19.81 C ATOM 997 NZ LYS E 141 50.658 24.662 25.090 1.00 22.48 N ATOM 998 N ALA E 142 50.947 26.731 31.922 1.00 10.30 N ATOM 999 CA ALA E 142 50.077 26.020 32.869 1.00 10.52 C ATOM 1000 C ALA E 142 49.390 26.921 33.856 1.00 9.77 C ATOM 1001 O ALA E 142 48.168 26.828 34.018 1.00 9.47 O ATOM 1002 CB ALA E 142 50.873 24.870 33.620 1.00 11.63 C ATOM 1003 N VAL E 143 50.135 27.842 34.487 1.00 10.82 N ATOM 1004 CA VAL E 143 49.536 28.729 35.469 1.00 11.86 C ATOM 1005 C VAL E 143 48.510 29.669 34.810 1.00 12.30 C ATOM 1006 O VAL E 143 47.419 29.922 35.367 1.00 13.38 O ATOM 1007 CB VAL E 143 50.657 29.508 36.239 1.00 11.77 C ATOM 1008 CG1 VAL E 143 50.113 30.619 37.077 1.00 16.24 C ATOM 1009 CG2 VAL E 143 51.391 28.487 37.146 1.00 11.53 C ATOM 1010 N ALA E 144 48.854 30.189 33.647 1.00 12.04 N ATOM 1011 CA ALA E 144 47.935 31.071 32.927 1.00 12.22 C ATOM 1012 C ALA E 144 46.642 30.357 32.567 1.00 12.91 C ATOM 1013 O ALA E 144 45.538 30.974 32.584 1.00 13.03 O ATOM 1014 CB ALA E 144 48.626 31.636 31.661 1.00 11.34 C ATOM 1015 N SER E 145 46.758 29.032 32.333 1.00 11.95 N ATOM 1016 CA SER E 145 45.586 28.191 32.079 1.00 11.24 C ATOM 1017 C SER E 145 44.770 27.795 33.312 1.00 12.12 C ATOM 1018 O SER E 145 43.697 27.257 33.146 1.00 12.98 O ATOM 1019 CB SER E 145 45.907 26.968 31.164 1.00 11.30 C ATOM 1020 OG ASER E 145 46.399 27.421 29.946 0.50 9.04 O ATOM 1021 OG BSER E 145 46.417 25.879 31.892 0.50 9.27 O ATOM 1022 N GLY E 146 45.260 28.104 34.531 1.00 10.95 N ATOM 1023 CA GLY E 146 44.500 27.854 35.753 1.00 11.70 C ATOM 1024 C GLY E 146 45.004 26.705 36.647 1.00 11.08 C ATOM 1025 O GLY E 146 44.363 26.404 37.649 1.00 13.31 O ATOM 1026 N VAL E 147 46.141 26.109 36.286 1.00 9.62 N ATOM 1027 CA VAL E 147 46.677 24.919 37.014 1.00 10.28 C ATOM 1028 C VAL E 147 47.465 25.470 38.209 1.00 9.92 C ATOM 1029 O VAL E 147 48.228 26.394 38.052 1.00 9.96 O ATOM 1030 CB VAL E 147 47.668 24.146 36.142 1.00 11.03 C ATOM 1031 CG1 VAL E 147 48.163 22.871 36.893 1.00 11.44 C ATOM 1032 CG2 VAL E 147 47.009 23.647 34.761 1.00 10.63 C ATOM 1033 N VAL E 148 47.222 24.938 39.412 1.00 9.38 N ATOM 1034 CA VAL E 148 48.143 25.177 40.545 1.00 10.22 C ATOM 1035 C VAL E 148 49.431 24.350 40.343 1.00 9.21 C ATOM 1036 O VAL E 148 49.363 23.128 40.303 1.00 9.69 O ATOM 1037 CB VAL E 148 47.467 24.758 41.887 1.00 10.75 C ATOM 1038 CG1 VAL E 148 48.440 25.060 43.091 1.00 10.73 C ATOM 1039 CG2 VAL E 148 46.084 25.457 42.090 1.00 13.72 C ATOM 1040 N VAL E 149 50.584 25.001 40.212 1.00 9.60 N ATOM 1041 CA VAL E 149 51.822 24.290 39.870 1.00 8.81 C ATOM 1042 C VAL E 149 52.768 24.336 41.083 1.00 8.40 C ATOM 1043 O VAL E 149 53.081 25.422 41.587 1.00 8.77 O ATOM 1044 CB VAL E 149 52.541 24.857 38.635 1.00 9.26 C ATOM 1045 CG1 VAL E 149 53.798 24.024 38.288 1.00 9.37 C ATOM 1046 CG2 VAL E 149 51.608 24.848 37.434 1.00 10.74 C ATOM 1047 N VAL E 150 53.118 23.154 41.591 1.00 9.19 N ATOM 1048 CA VAL E 150 53.927 23.027 42.795 1.00 8.42 C ATOM 1049 C VAL E 150 55.184 22.231 42.487 1.00 9.32 C ATOM 1050 O VAL E 150 55.149 21.263 41.679 1.00 9.98 O ATOM 1051 CB VAL E 150 53.123 22.233 43.839 1.00 7.95 C ATOM 1052 CG1 VAL E 150 53.837 22.229 45.215 1.00 9.38 C ATOM 1053 CG2 VAL E 150 51.722 22.829 43.951 1.00 10.59 C ATOM 1054 N ALA E 151 56.323 22.631 43.076 1.00 7.66 N ATOM 1055 CA ALA E 151 57.570 21.913 42.804 1.00 9.87 C ATOM 1056 C ALA E 151 58.473 21.893 44.005 1.00 8.58 C ATOM 1057 O ALA E 151 58.426 22.796 44.824 1.00 8.82 O ATOM 1058 CB ALA E 151 58.310 22.526 41.593 1.00 11.27 C ATOM 1059 N ALA E 152 59.319 20.872 44.066 1.00 8.68 N ATOM 1060 CA ALA E 152 60.344 20.812 45.125 1.00 8.52 C ATOM 1061 C ALA E 152 61.315 22.002 44.959 1.00 9.28 C ATOM 1062 O ALA E 152 61.693 22.345 43.816 1.00 8.76 O ATOM 1063 CB ALA E 152 61.118 19.470 45.018 1.00 8.14 C ATOM 1064 N ALA E 153 61.691 22.651 46.076 1.00 8.28 N ATOM 1065 CA ALA E 153 62.628 23.748 45.979 1.00 9.21 C ATOM 1066 C ALA E 153 63.991 23.259 45.551 1.00 10.18 C ATOM 1067 O ALA E 153 64.695 24.018 44.879 1.00 10.93 O ATOM 1068 CB ALA E 153 62.759 24.512 47.274 1.00 10.40 C ATOM 1069 N GLY E 154 64.386 22.043 45.959 1.00 8.71 N ATOM 1070 CA GLY E 154 65.740 21.586 45.683 1.00 9.58 C ATOM 1071 C GLY E 154 66.361 21.163 47.016 1.00 10.18 C ATOM 1072 O GLY E 154 65.910 21.601 48.072 1.00 9.51 O ATOM 1073 N ASN E 155 67.423 20.361 46.935 1.00 10.21 N ATOM 1074 CA ASN E 155 68.139 19.869 48.112 1.00 9.92 C ATOM 1075 C ASN E 155 69.596 20.335 48.113 1.00 10.85 C ATOM 1076 O ASN E 155 70.520 19.598 48.568 1.00 10.90 O ATOM 1077 CB ASN E 155 68.163 18.335 48.154 1.00 9.42 C ATOM 1078 CG ASN E 155 66.773 17.733 48.145 1.00 9.88 C ATOM 1079 OD1 ASN E 155 65.792 18.374 48.567 1.00 11.02 O ATOM 1080 ND2 ASN E 155 66.687 16.511 47.652 1.00 12.04 N ATOM 1081 N GLU E 156 69.799 21.586 47.721 1.00 11.08 N ATOM 1082 CA GLU E 156 71.158 22.063 47.458 1.00 13.67 C ATOM 1083 C GLU E 156 71.738 22.860 48.646 1.00 15.52 C ATOM 1084 O GLU E 156 72.869 23.414 48.574 1.00 17.81 O ATOM 1085 CB GLU E 156 71.130 22.837 46.142 1.00 14.45 C ATOM 1086 CG GLU E 156 71.127 21.928 44.886 1.00 19.93 C ATOM 1087 CD GLU E 156 70.050 20.819 44.861 1.00 30.14 C ATOM 1088 OE1 GLU E 156 68.850 21.084 44.558 1.00 27.22 O ATOM 1089 OE2 GLU E 156 70.392 19.641 45.126 1.00 32.59 O ATOM 1090 N GLY E 157 71.039 22.802 49.768 1.00 14.21 N ATOM 1091 CA GLY E 157 71.475 23.446 50.996 1.00 15.89 C ATOM 1092 C GLY E 157 71.773 24.927 50.890 1.00 17.05 C ATOM 1093 O GLY E 157 71.084 25.669 50.186 1.00 16.45 O ATOM 1094 N THR E 158 72.815 25.383 51.589 1.00 18.78 N ATOM 1095 CA THR E 158 73.139 26.836 51.518 1.00 18.68 C ATOM 1096 C THR E 158 74.426 27.052 50.728 1.00 18.61 C ATOM 1097 O THR E 158 75.248 26.147 50.657 1.00 19.99 O ATOM 1098 CB THR E 158 73.299 27.444 52.916 1.00 19.21 C ATOM 1099 OG1 THR E 158 74.333 26.738 53.647 1.00 20.04 O ATOM 1100 CG2 THR E 158 72.063 27.247 53.777 1.00 18.19 C ATOM 1101 N SER E 159 74.604 28.263 50.180 1.00 18.36 N ATOM 1102 CA SER E 159 75.827 28.650 49.458 1.00 19.91 C ATOM 1103 C SER E 159 76.045 30.142 49.707 1.00 19.95 C ATOM 1104 O SER E 159 75.696 30.998 48.879 1.00 17.86 O ATOM 1105 CB SER E 159 75.689 28.382 47.944 1.00 19.96 C ATOM 1106 OG SER E 159 76.923 28.589 47.279 1.00 23.23 O ATOM 1107 N GLY E 160 76.539 30.458 50.907 1.00 22.72 N ATOM 1108 CA GLY E 160 76.686 31.858 51.298 1.00 22.41 C ATOM 1109 C GLY E 160 75.365 32.598 51.195 1.00 21.81 C ATOM 1110 O GLY E 160 74.362 32.130 51.724 1.00 23.64 O ATOM 1111 N SER E 161 75.321 33.735 50.477 1.00 20.25 N ATOM 1112 CA SER E 161 74.077 34.496 50.342 1.00 19.56 C ATOM 1113 C SER E 161 73.298 34.201 49.045 1.00 17.60 C ATOM 1114 O SER E 161 72.315 34.885 48.746 1.00 17.62 O ATOM 1115 CB SER E 161 74.351 36.016 50.406 1.00 19.64 C ATOM 1116 OG SER E 161 75.039 36.381 51.628 1.00 22.18 O ATOM 1117 N SER E 162 73.758 33.241 48.264 1.00 17.85 N ATOM 1118 CA SER E 162 73.157 32.946 46.966 1.00 17.79 C ATOM 1119 C SER E 162 71.905 32.061 47.112 1.00 17.26 C ATOM 1120 O SER E 162 71.845 31.215 47.997 1.00 16.37 O ATOM 1121 CB SER E 162 74.118 32.119 46.114 1.00 18.96 C ATOM 1122 OG SER E 162 75.280 32.850 45.864 1.00 20.47 O ATOM 1123 N SER E 163 70.943 32.262 46.221 1.00 15.49 N ATOM 1124 CA SER E 163 69.826 31.332 46.103 1.00 14.37 C ATOM 1125 C SER E 163 70.320 30.004 45.587 1.00 14.22 C ATOM 1126 O SER E 163 71.135 29.959 44.674 1.00 16.99 O ATOM 1127 CB SER E 163 68.777 31.878 45.137 1.00 14.54 C ATOM 1128 OG SER E 163 67.683 30.962 44.978 1.00 12.80 O ATOM 1129 N THR E 164 69.818 28.922 46.171 1.00 13.73 N ATOM 1130 CA THR E 164 70.075 27.565 45.675 1.00 12.55 C ATOM 1131 C THR E 164 68.798 26.859 45.257 1.00 11.74 C ATOM 1132 O THR E 164 68.799 25.631 45.076 1.00 13.17 O ATOM 1133 CB THR E 164 70.791 26.682 46.714 1.00 12.04 C ATOM 1134 OG1 THR E 164 69.926 26.449 47.853 1.00 11.20 O ATOM 1135 CG2 THR E 164 72.038 27.421 47.326 1.00 12.77 C ATOM 1136 N VAL E 165 67.738 27.631 45.094 1.00 11.77 N ATOM 1137 CA VAL E 165 66.481 27.067 44.632 1.00 11.17 C ATOM 1138 C VAL E 165 66.670 26.711 43.136 1.00 12.34 C ATOM 1139 O VAL E 165 67.149 27.563 42.371 1.00 12.84 O ATOM 1140 CB VAL E 165 65.321 28.065 44.808 1.00 11.56 C ATOM 1141 CG1 VAL E 165 64.014 27.505 44.142 1.00 12.80 C ATOM 1142 CG2 VAL E 165 65.038 28.399 46.327 1.00 9.98 C ATOM 1143 N GLY E 166 66.357 25.460 42.757 1.00 11.91 N ATOM 1144 CA GLY E 166 66.503 25.020 41.363 1.00 10.72 C ATOM 1145 C GLY E 166 65.252 25.205 40.542 1.00 11.91 C ATOM 1146 O GLY E 166 64.256 25.706 41.049 1.00 11.99 O ATOM 1147 N TYR E 167 65.320 24.761 39.290 1.00 11.75 N ATOM 1148 CA TYR E 167 64.250 24.978 38.302 1.00 12.79 C ATOM 1149 C TYR E 167 63.523 23.653 38.157 1.00 12.24 C ATOM 1150 O TYR E 167 64.154 22.610 38.114 1.00 12.25 O ATOM 1151 CB TYR E 167 64.903 25.328 36.957 1.00 13.50 C ATOM 1152 CG TYR E 167 65.536 26.700 37.001 1.00 16.01 C ATOM 1153 CD1 TYR E 167 64.771 27.826 36.746 1.00 18.18 C ATOM 1154 CD2 TYR E 167 66.875 26.866 37.363 1.00 19.81 C ATOM 1155 CE1 TYR E 167 65.334 29.127 36.797 1.00 20.75 C ATOM 1156 CE2 TYR E 167 67.443 28.158 37.422 1.00 21.92 C ATOM 1157 CZ TYR E 167 66.667 29.269 37.145 1.00 22.20 C ATOM 1158 OH TYR E 167 67.218 30.554 37.190 1.00 26.32 O ATOM 1159 N PRO E 168 62.204 23.661 37.953 1.00 12.60 N ATOM 1160 CA PRO E 168 61.351 24.858 37.775 1.00 11.33 C ATOM 1161 C PRO E 168 60.842 25.571 39.025 1.00 10.47 C ATOM 1162 O PRO E 168 60.130 26.608 38.901 1.00 11.49 O ATOM 1163 CB PRO E 168 60.159 24.256 37.014 1.00 11.59 C ATOM 1164 CG PRO E 168 60.065 22.835 37.733 1.00 12.49 C ATOM 1165 CD PRO E 168 61.483 22.382 37.720 1.00 12.09 C ATOM 1166 N GLY E 169 61.214 25.100 40.222 1.00 10.04 N ATOM 1167 CA GLY E 169 60.776 25.822 41.428 1.00 9.66 C ATOM 1168 C GLY E 169 61.089 27.321 41.474 1.00 9.71 C ATOM 1169 O GLY E 169 60.286 28.112 41.978 1.00 9.87 O ATOM 1170 N LYS E 170 62.251 27.691 40.930 1.00 10.66 N ATOM 1171 CA LYS E 170 62.700 29.095 41.001 1.00 10.50 C ATOM 1172 C LYS E 170 61.877 30.027 40.151 1.00 10.50 C ATOM 1173 O LYS E 170 61.938 31.258 40.309 1.00 13.43 O ATOM 1174 CB LYS E 170 64.145 29.134 40.469 1.00 9.47 C ATOM 1175 CG LYS E 170 64.990 30.346 40.987 1.00 11.72 C ATOM 1176 CD LYS E 170 66.387 30.263 40.464 1.00 13.71 C ATOM 1177 CE LYS E 170 67.204 31.509 40.953 1.00 20.29 C ATOM 1178 NZ LYS E 170 68.643 31.263 40.628 1.00 21.73 N ATOM 1179 N TYR E 171 61.089 29.492 39.225 1.00 11.58 N ATOM 1180 CA TYR E 171 60.258 30.407 38.430 1.00 11.07 C ATOM 1181 C TYR E 171 59.135 30.990 39.252 1.00 12.43 C ATOM 1182 O TYR E 171 58.494 30.254 39.999 1.00 11.72 O ATOM 1183 CB TYR E 171 59.655 29.740 37.200 1.00 10.60 C ATOM 1184 CG TYR E 171 60.646 29.288 36.214 1.00 14.95 C ATOM 1185 CD1 TYR E 171 61.598 30.187 35.692 1.00 14.51 C ATOM 1186 CD2 TYR E 171 60.670 27.950 35.793 1.00 16.01 C ATOM 1187 CE1 TYR E 171 62.541 29.750 34.774 1.00 17.74 C ATOM 1188 CE2 TYR E 171 61.598 27.518 34.860 1.00 16.74 C ATOM 1189 CZ TYR E 171 62.532 28.426 34.374 1.00 17.32 C ATOM 1190 OH TYR E 171 63.446 27.999 33.438 1.00 22.15 O ATOM 1191 N PRO E 172 58.836 32.290 39.135 1.00 11.93 N ATOM 1192 CA PRO E 172 57.751 32.892 39.935 1.00 13.02 C ATOM 1193 C PRO E 172 56.375 32.207 39.805 1.00 12.43 C ATOM 1194 O PRO E 172 55.611 32.235 40.754 1.00 14.24 O ATOM 1195 CB PRO E 172 57.675 34.325 39.397 1.00 14.08 C ATOM 1196 CG PRO E 172 59.057 34.577 38.977 1.00 12.75 C ATOM 1197 CD PRO E 172 59.574 33.299 38.323 1.00 12.81 C ATOM 1198 N SER E 173 56.063 31.636 38.643 1.00 10.76 N ATOM 1199 CA SER E 173 54.765 31.056 38.466 1.00 11.58 C ATOM 1200 C SER E 173 54.614 29.802 39.304 1.00 11.14 C ATOM 1201 O SER E 173 53.482 29.338 39.473 1.00 12.06 O ATOM 1202 CB SER E 173 54.473 30.688 36.984 1.00 11.40 C ATOM 1203 OG SER E 173 55.492 29.859 36.498 1.00 14.76 O ATOM 1204 N VAL E 174 55.714 29.247 39.822 1.00 9.07 N ATOM 1205 CA VAL E 174 55.693 27.912 40.426 1.00 10.35 C ATOM 1206 C VAL E 174 55.852 28.025 41.938 1.00 11.40 C ATOM 1207 O VAL E 174 56.670 28.846 42.451 1.00 11.86 O ATOM 1208 CB VAL E 174 56.843 27.047 39.899 1.00 9.72 C ATOM 1209 CG1 VAL E 174 56.929 25.653 40.682 1.00 8.44 C ATOM 1210 CG2 VAL E 174 56.697 26.783 38.335 1.00 9.84 C ATOM 1211 N ILE E 175 55.021 27.296 42.674 1.00 10.35 N ATOM 1212 CA ILE E 175 55.171 27.343 44.143 1.00 9.89 C ATOM 1213 C ILE E 175 56.362 26.444 44.525 1.00 10.43 C ATOM 1214 O ILE E 175 56.280 25.209 44.398 1.00 9.40 O ATOM 1215 CB ILE E 175 53.859 26.829 44.833 1.00 8.87 C ATOM 1216 CG1 ILE E 175 52.677 27.719 44.430 1.00 11.06 C ATOM 1217 CG2 ILE E 175 54.025 26.641 46.374 1.00 9.62 C ATOM 1218 CD1 ILE E 175 51.289 27.094 44.748 1.00 13.79 C ATOM 1219 N ALA E 176 57.444 27.042 45.013 1.00 10.73 N ATOM 1220 CA ALA E 176 58.664 26.289 45.419 1.00 10.19 C ATOM 1221 C ALA E 176 58.549 25.902 46.867 1.00 9.73 C ATOM 1222 O ALA E 176 58.332 26.775 47.740 1.00 9.40 O ATOM 1223 CB ALA E 176 59.922 27.112 45.233 1.00 10.79 C ATOM 1224 N VAL E 177 58.655 24.595 47.138 1.00 8.57 N ATOM 1225 CA VAL E 177 58.391 24.058 48.507 1.00 8.89 C ATOM 1226 C VAL E 177 59.693 23.523 49.133 1.00 7.96 C ATOM 1227 O VAL E 177 60.358 22.642 48.575 1.00 8.33 O ATOM 1228 CB VAL E 177 57.349 22.872 48.480 1.00 7.63 C ATOM 1229 CG1 VAL E 177 56.959 22.398 49.943 1.00 7.03 C ATOM 1230 CG2 VAL E 177 56.086 23.283 47.689 1.00 8.29 C ATOM 1231 N GLY E 178 60.045 24.072 50.296 1.00 9.11 N ATOM 1232 CA GLY E 178 61.170 23.563 51.072 1.00 8.79 C ATOM 1233 C GLY E 178 60.728 22.562 52.102 1.00 9.28 C ATOM 1234 O GLY E 178 59.508 22.382 52.323 1.00 8.84 O ATOM 1235 N ALA E 179 61.709 21.972 52.806 1.00 8.98 N ATOM 1236 CA ALA E 179 61.455 20.828 53.681 1.00 9.54 C ATOM 1237 C ALA E 179 61.751 21.165 55.168 1.00 10.26 C ATOM 1238 O ALA E 179 62.843 21.678 55.490 1.00 10.60 O ATOM 1239 CB ALA E 179 62.331 19.645 53.275 1.00 10.07 C ATOM 1240 N VAL E 180 60.827 20.797 56.040 1.00 9.30 N ATOM 1241 CA VAL E 180 61.031 20.849 57.492 1.00 10.26 C ATOM 1242 C VAL E 180 60.838 19.448 58.032 1.00 9.77 C ATOM 1243 O VAL E 180 60.326 18.565 57.321 1.00 9.09 O ATOM 1244 CB VAL E 180 60.120 21.859 58.228 1.00 9.66 C ATOM 1245 CG1 VAL E 180 60.436 23.308 57.769 1.00 9.33 C ATOM 1246 CG2 VAL E 180 58.594 21.583 58.044 1.00 9.38 C ATOM 1247 N ASP E 181 61.239 19.253 59.277 1.00 10.20 N ATOM 1248 CA ASP E 181 60.995 17.962 59.969 1.00 9.96 C ATOM 1249 C ASP E 181 59.790 18.128 60.926 1.00 10.08 C ATOM 1250 O ASP E 181 59.071 19.098 60.856 1.00 10.00 O ATOM 1251 CB ASP E 181 62.239 17.461 60.700 1.00 11.00 C ATOM 1252 CG ASP E 181 62.721 18.422 61.809 1.00 13.07 C ATOM 1253 OD1 ASP E 181 61.941 19.299 62.276 1.00 10.86 O ATOM 1254 OD2 ASP E 181 63.910 18.387 62.224 1.00 13.07 O ATOM 1255 N SER E 182 59.601 17.175 61.819 1.00 9.47 N ATOM 1256 CA SER E 182 58.417 17.123 62.659 1.00 10.58 C ATOM 1257 C SER E 182 58.446 18.202 63.758 1.00 11.50 C ATOM 1258 O SER E 182 57.406 18.424 64.437 1.00 12.81 O ATOM 1259 CB SER E 182 58.239 15.723 63.266 1.00 12.04 C ATOM 1260 OG SER E 182 59.273 15.438 64.206 1.00 11.14 O ATOM 1261 N SER E 183 59.599 18.868 63.934 1.00 12.22 N ATOM 1262 CA SER E 183 59.680 20.009 64.872 1.00 13.05 C ATOM 1263 C SER E 183 59.653 21.317 64.131 1.00 12.24 C ATOM 1264 O SER E 183 59.924 22.386 64.728 1.00 13.17 O ATOM 1265 CB SER E 183 60.958 20.002 65.746 1.00 15.96 C ATOM 1266 OG SER E 183 61.185 18.749 66.398 1.00 20.60 O ATOM 1267 N ASN E 184 59.289 21.262 62.849 1.00 10.03 N ATOM 1268 CA ASN E 184 59.280 22.458 62.003 1.00 11.27 C ATOM 1269 C ASN E 184 60.669 23.087 61.802 1.00 10.25 C ATOM 1270 O ASN E 184 60.769 24.213 61.356 1.00 10.81 O ATOM 1271 CB ASN E 184 58.306 23.533 62.484 1.00 11.77 C ATOM 1272 CG ASN E 184 56.860 23.192 62.132 1.00 15.32 C ATOM 1273 OD1 ASN E 184 56.609 22.490 61.145 1.00 15.54 O ATOM 1274 ND2 ASN E 184 55.906 23.669 62.929 1.00 16.96 N ATOM 1275 N GLN E 185 61.730 22.377 62.086 1.00 11.01 N ATOM 1276 CA GLN E 185 63.054 22.863 61.746 1.00 9.98 C ATOM 1277 C GLN E 185 63.397 22.558 60.264 1.00 11.25 C ATOM 1278 O GLN E 185 63.137 21.453 59.751 1.00 11.41 O ATOM 1279 CB GLN E 185 64.130 22.179 62.650 1.00 10.73 C ATOM 1280 CG GLN E 185 64.030 22.552 64.160 1.00 12.13 C ATOM 1281 CD GLN E 185 64.695 23.896 64.458 1.00 13.25 C ATOM 1282 OE1 GLN E 185 65.825 24.190 63.939 1.00 12.84 O ATOM 1283 NE2 GLN E 185 64.030 24.709 65.255 1.00 12.37 N ATOM 1284 N ARG E 186 64.045 23.516 59.603 1.00 9.99 N ATOM 1285 CA ARG E 186 64.519 23.363 58.213 1.00 11.94 C ATOM 1286 C ARG E 186 65.482 22.154 58.127 1.00 11.79 C ATOM 1287 O ARG E 186 66.399 22.050 58.955 1.00 11.40 O ATOM 1288 CB ARG E 186 65.283 24.645 57.819 1.00 13.28 C ATOM 1289 CG ARG E 186 65.894 24.602 56.478 1.00 14.82 C ATOM 1290 CD ARG E 186 66.693 25.905 56.102 1.00 11.77 C ATOM 1291 NE ARG E 186 67.551 25.513 55.039 1.00 12.57 N ATOM 1292 CZ ARG E 186 68.761 25.021 55.225 1.00 9.84 C ATOM 1293 NH1 ARG E 186 69.284 25.009 56.488 1.00 13.68 N ATOM 1294 NH2 ARG E 186 69.461 24.574 54.176 1.00 12.91 N ATOM 1295 N ALA E 187 65.277 21.241 57.166 1.00 9.64 N ATOM 1296 CA ALA E 187 66.260 20.198 56.886 1.00 10.03 C ATOM 1297 C ALA E 187 67.553 20.858 56.370 1.00 11.26 C ATOM 1298 O ALA E 187 67.512 21.844 55.590 1.00 11.54 O ATOM 1299 CB ALA E 187 65.718 19.264 55.786 1.00 10.20 C ATOM 1300 N SER E 188 68.693 20.302 56.776 1.00 12.62 N ATOM 1301 CA SER E 188 69.973 20.926 56.374 1.00 13.64 C ATOM 1302 C SER E 188 70.130 21.016 54.850 1.00 13.96 C ATOM 1303 O SER E 188 70.770 21.968 54.346 1.00 13.56 O ATOM 1304 CB SER E 188 71.169 20.182 56.982 1.00 15.54 C ATOM 1305 OG SER E 188 71.147 18.832 56.560 1.00 20.93 O ATOM 1306 N PHE E 189 69.575 20.040 54.123 1.00 12.54 N ATOM 1307 CA PHE E 189 69.672 20.011 52.665 1.00 10.79 C ATOM 1308 C PHE E 189 68.707 20.972 51.950 1.00 10.60 C ATOM 1309 O PHE E 189 68.866 21.183 50.753 1.00 10.92 O ATOM 1310 CB PHE E 189 69.466 18.570 52.151 1.00 10.29 C ATOM 1311 CG PHE E 189 68.132 17.982 52.534 1.00 11.51 C ATOM 1312 CD1 PHE E 189 66.940 18.378 51.870 1.00 9.61 C ATOM 1313 CD2 PHE E 189 68.053 17.032 53.567 1.00 11.82 C ATOM 1314 CE1 PHE E 189 65.733 17.844 52.244 1.00 10.56 C ATOM 1315 CE2 PHE E 189 66.842 16.465 53.941 1.00 8.00 C ATOM 1316 CZ PHE E 189 65.683 16.865 53.261 1.00 8.22 C ATOM 1317 N SER E 190 67.715 21.530 52.637 1.00 9.38 N ATOM 1318 CA SER E 190 66.628 22.247 51.927 1.00 8.96 C ATOM 1319 C SER E 190 67.181 23.487 51.224 1.00 10.52 C ATOM 1320 O SER E 190 67.893 24.287 51.841 1.00 10.08 O ATOM 1321 CB SER E 190 65.540 22.589 52.921 1.00 10.29 C ATOM 1322 OG SER E 190 64.413 23.187 52.305 1.00 9.35 O ATOM 1323 N SER E 191 66.927 23.606 49.931 1.00 8.73 N ATOM 1324 CA SER E 191 67.377 24.804 49.212 1.00 11.06 C ATOM 1325 C SER E 191 66.809 26.094 49.867 1.00 10.06 C ATOM 1326 O SER E 191 65.736 26.086 50.514 1.00 10.11 O ATOM 1327 CB SER E 191 67.020 24.691 47.716 1.00 10.18 C ATOM 1328 OG SER E 191 67.893 23.835 47.019 1.00 10.76 O ATOM 1329 N VAL E 192 67.553 27.187 49.648 1.00 11.10 N ATOM 1330 CA VAL E 192 67.259 28.486 50.204 1.00 9.90 C ATOM 1331 C VAL E 192 67.240 29.587 49.139 1.00 10.14 C ATOM 1332 O VAL E 192 67.794 29.393 48.037 1.00 11.40 O ATOM 1333 CB VAL E 192 68.325 28.842 51.297 1.00 10.63 C ATOM 1334 CG1 VAL E 192 68.343 27.745 52.406 1.00 8.46 C ATOM 1335 CG2 VAL E 192 69.697 28.967 50.648 1.00 11.63 C ATOM 1336 N GLY E 193 66.645 30.728 49.503 1.00 10.41 N ATOM 1337 CA GLY E 193 66.585 31.859 48.591 1.00 9.67 C ATOM 1338 C GLY E 193 65.266 32.537 48.622 1.00 10.63 C ATOM 1339 O GLY E 193 64.313 32.059 49.220 1.00 11.00 O ATOM 1340 N PRO E 194 65.203 33.705 48.017 1.00 11.27 N ATOM 1341 CA PRO E 194 63.956 34.484 48.065 1.00 11.36 C ATOM 1342 C PRO E 194 62.811 33.786 47.291 1.00 11.84 C ATOM 1343 O PRO E 194 61.635 34.100 47.521 1.00 13.87 O ATOM 1344 CB PRO E 194 64.336 35.794 47.399 1.00 11.99 C ATOM 1345 CG PRO E 194 65.553 35.485 46.563 1.00 13.25 C ATOM 1346 CD PRO E 194 66.322 34.356 47.278 1.00 11.94 C ATOM 1347 N GLU E 195 63.161 32.852 46.404 1.00 12.82 N ATOM 1348 CA GLU E 195 62.128 32.092 45.637 1.00 12.53 C ATOM 1349 C GLU E 195 61.494 30.980 46.465 1.00 13.64 C ATOM 1350 O GLU E 195 60.540 30.325 46.014 1.00 13.29 O ATOM 1351 CB GLU E 195 62.748 31.499 44.343 1.00 13.05 C ATOM 1352 CG GLU E 195 63.487 32.543 43.471 1.00 14.41 C ATOM 1353 CD GLU E 195 64.957 32.748 43.871 1.00 18.48 C ATOM 1354 OE1 GLU E 195 65.428 32.197 44.885 1.00 16.06 O ATOM 1355 OE2 GLU E 195 65.653 33.477 43.148 1.00 21.02 O ATOM 1356 N LEU E 196 62.054 30.665 47.643 1.00 12.46 N ATOM 1357 CA LEU E 196 61.382 29.689 48.513 1.00 12.11 C ATOM 1358 C LEU E 196 59.990 30.256 48.853 1.00 12.70 C ATOM 1359 O LEU E 196 59.845 31.422 49.298 1.00 14.09 O ATOM 1360 CB LEU E 196 62.201 29.486 49.796 1.00 11.03 C ATOM 1361 CG ALEU E 196 61.798 28.477 50.837 0.50 7.35 C ATOM 1362 CG BLEU E 196 63.136 28.341 50.060 0.50 10.54 C ATOM 1363 CD1ALEU E 196 61.402 27.101 50.211 0.50 6.32 C ATOM 1364 CD1BLEU E 196 63.518 28.440 51.553 0.50 9.47 C ATOM 1365 CD2ALEU E 196 62.957 28.329 51.835 0.50 5.09 C ATOM 1366 CD2BLEU E 196 62.491 27.018 49.742 0.50 10.86 C ATOM 1367 N ASP E 197 58.932 29.494 48.616 1.00 12.23 N ATOM 1368 CA ASP E 197 57.592 30.032 48.895 1.00 11.87 C ATOM 1369 C ASP E 197 57.022 29.566 50.261 1.00 11.75 C ATOM 1370 O ASP E 197 56.685 30.386 51.130 1.00 11.06 O ATOM 1371 CB ASP E 197 56.641 29.634 47.753 1.00 12.15 C ATOM 1372 CG ASP E 197 55.355 30.423 47.752 1.00 15.71 C ATOM 1373 OD1 ASP E 197 55.157 31.336 48.577 1.00 20.63 O ATOM 1374 OD2 ASP E 197 54.498 30.192 46.895 1.00 18.20 O ATOM 1375 N VAL E 198 56.909 28.244 50.440 1.00 10.48 N ATOM 1376 CA VAL E 198 56.344 27.685 51.687 1.00 10.92 C ATOM 1377 C VAL E 198 57.162 26.431 51.998 1.00 9.92 C ATOM 1378 O VAL E 198 57.907 25.967 51.143 1.00 9.17 O ATOM 1379 CB VAL E 198 54.856 27.257 51.597 1.00 11.07 C ATOM 1380 CG1 VAL E 198 53.930 28.502 51.376 1.00 10.60 C ATOM 1381 CG2 VAL E 198 54.623 26.199 50.422 1.00 10.45 C ATOM 1382 N MET E 199 56.955 25.881 53.204 1.00 8.89 N ATOM 1383 CA MET E 199 57.580 24.621 53.605 1.00 8.21 C ATOM 1384 C MET E 199 56.498 23.618 53.938 1.00 8.34 C ATOM 1385 O MET E 199 55.332 23.942 54.270 1.00 8.03 O ATOM 1386 CB MET E 199 58.388 24.808 54.905 1.00 9.44 C ATOM 1387 CG MET E 199 59.316 26.049 54.949 1.00 10.15 C ATOM 1388 SD MET E 199 60.655 25.961 53.799 1.00 11.32 S ATOM 1389 CE MET E 199 61.911 25.104 54.731 1.00 9.64 C ATOM 1390 N ALA E 200 56.925 22.352 53.898 1.00 8.53 N ATOM 1391 CA ALA E 200 56.092 21.232 54.279 1.00 7.84 C ATOM 1392 C ALA E 200 57.025 20.144 54.756 1.00 8.43 C ATOM 1393 O ALA E 200 58.267 20.208 54.507 1.00 8.00 O ATOM 1394 CB ALA E 200 55.239 20.747 53.066 1.00 8.04 C ATOM 1395 N PRO E 201 56.442 19.157 55.453 1.00 8.64 N ATOM 1396 CA PRO E 201 57.246 18.039 55.982 1.00 7.96 C ATOM 1397 C PRO E 201 58.002 17.305 54.878 1.00 7.52 C ATOM 1398 O PRO E 201 57.356 16.920 53.891 1.00 7.38 O ATOM 1399 CB PRO E 201 56.175 17.122 56.644 1.00 7.79 C ATOM 1400 CG PRO E 201 55.129 18.120 57.056 1.00 7.94 C ATOM 1401 CD PRO E 201 55.025 19.063 55.844 1.00 8.57 C ATOM 1402 N GLY E 202 59.326 17.187 55.042 1.00 8.54 N ATOM 1403 CA GLY E 202 60.165 16.593 54.007 1.00 9.38 C ATOM 1404 C GLY E 202 61.268 15.712 54.583 1.00 8.86 C ATOM 1405 O GLY E 202 62.305 15.499 53.909 1.00 8.37 O ATOM 1406 N VAL E 203 61.086 15.250 55.843 1.00 9.01 N ATOM 1407 CA VAL E 203 62.143 14.439 56.484 1.00 10.12 C ATOM 1408 C VAL E 203 61.452 13.222 57.109 1.00 8.40 C ATOM 1409 O VAL E 203 60.461 13.419 57.813 1.00 10.59 O ATOM 1410 CB VAL E 203 62.887 15.256 57.595 1.00 9.26 C ATOM 1411 CG1 VAL E 203 64.128 14.427 58.086 1.00 9.76 C ATOM 1412 CG2 VAL E 203 63.414 16.604 57.041 1.00 10.32 C ATOM 1413 N SER E 204 61.916 12.005 56.770 1.00 9.79 N ATOM 1414 CA SER E 204 61.324 10.744 57.305 1.00 9.50 C ATOM 1415 C SER E 204 59.833 10.654 57.010 1.00 8.29 C ATOM 1416 O SER E 204 59.016 10.448 57.896 1.00 10.13 O ATOM 1417 CB SER E 204 61.601 10.593 58.820 1.00 10.74 C ATOM 1418 OG SER E 204 63.010 10.715 59.107 1.00 11.89 O ATOM 1419 N ILE E 205 59.493 10.909 55.741 1.00 10.04 N ATOM 1420 CA ILE E 205 58.130 10.828 55.237 1.00 8.46 C ATOM 1421 C ILE E 205 57.843 9.393 54.736 1.00 8.50 C ATOM 1422 O ILE E 205 58.421 8.924 53.740 1.00 10.12 O ATOM 1423 CB ILE E 205 57.957 11.882 54.075 1.00 8.52 C ATOM 1424 CG1 ILE E 205 58.352 13.285 54.551 1.00 7.48 C ATOM 1425 CG2 ILE E 205 56.507 11.846 53.550 1.00 10.02 C ATOM 1426 CD1 ILE E 205 57.598 13.867 55.783 1.00 8.17 C ATOM 1427 N GLN E 206 56.957 8.731 55.476 1.00 9.19 N ATOM 1428 CA GLN E 206 56.498 7.376 55.188 1.00 9.74 C ATOM 1429 C GLN E 206 55.505 7.468 54.042 1.00 10.57 C ATOM 1430 O GLN E 206 54.521 8.216 54.122 1.00 11.19 O ATOM 1431 CB GLN E 206 55.820 6.768 56.433 1.00 12.00 C ATOM 1432 CG GLN E 206 55.395 5.297 56.193 1.00 14.77 C ATOM 1433 CD GLN E 206 56.520 4.269 56.330 1.00 17.19 C ATOM 1434 OE1 GLN E 206 56.235 3.042 56.496 1.00 21.92 O ATOM 1435 NE2 GLN E 206 57.754 4.703 56.248 1.00 12.61 N ATOM 1436 N SER E 207 55.725 6.669 52.999 1.00 9.17 N ATOM 1437 CA SER E 207 54.777 6.606 51.891 1.00 8.87 C ATOM 1438 C SER E 207 54.905 5.286 51.098 1.00 10.22 C ATOM 1439 O SER E 207 55.670 4.397 51.499 1.00 12.47 O ATOM 1440 CB SER E 207 54.891 7.858 50.995 1.00 9.33 C ATOM 1441 OG SER E 207 53.797 7.870 50.046 1.00 8.58 O ATOM 1442 N THR E 208 54.112 5.145 50.056 1.00 9.74 N ATOM 1443 CA THR E 208 54.030 3.933 49.240 1.00 9.98 C ATOM 1444 C THR E 208 55.270 3.717 48.374 1.00 10.27 C ATOM 1445 O THR E 208 55.874 4.675 47.845 1.00 10.16 O ATOM 1446 CB THR E 208 52.765 4.017 48.336 1.00 10.44 C ATOM 1447 OG1 THR E 208 52.708 5.350 47.766 1.00 10.23 O ATOM 1448 CG2 THR E 208 51.436 3.896 49.137 1.00 9.65 C ATOM 1449 N LEU E 209 55.630 2.435 48.133 1.00 10.98 N ATOM 1450 CA LEU E 209 56.752 2.119 47.257 1.00 11.79 C ATOM 1451 C LEU E 209 56.301 0.941 46.397 1.00 12.42 C ATOM 1452 O LEU E 209 55.471 0.156 46.866 1.00 11.79 O ATOM 1453 CB LEU E 209 58.008 1.721 48.068 1.00 12.44 C ATOM 1454 CG LEU E 209 58.634 2.855 48.885 1.00 15.73 C ATOM 1455 CD1 LEU E 209 59.716 2.253 49.801 1.00 17.17 C ATOM 1456 CD2 LEU E 209 59.243 3.904 47.965 1.00 14.35 C ATOM 1457 N PRO E 210 56.865 0.789 45.203 1.00 12.65 N ATOM 1458 CA PRO E 210 56.425 -0.310 44.307 1.00 13.99 C ATOM 1459 C PRO E 210 56.580 -1.684 44.987 1.00 13.85 C ATOM 1460 O PRO E 210 57.439 -1.909 45.841 1.00 15.29 O ATOM 1461 CB PRO E 210 57.334 -0.160 43.067 1.00 13.28 C ATOM 1462 CG PRO E 210 57.779 1.285 43.091 1.00 13.88 C ATOM 1463 CD PRO E 210 57.906 1.643 44.569 1.00 11.74 C ATOM 1464 N GLY E 211 55.733 -2.619 44.616 1.00 14.95 N ATOM 1465 CA GLY E 211 55.896 -3.932 45.229 1.00 15.14 C ATOM 1466 C GLY E 211 55.085 -4.052 46.501 1.00 14.34 C ATOM 1467 O GLY E 211 55.393 -4.900 47.361 1.00 15.94 O ATOM 1468 N ASN E 212 54.028 -3.245 46.615 1.00 13.63 N ATOM 1469 CA ASN E 212 53.157 -3.252 47.820 1.00 12.95 C ATOM 1470 C ASN E 212 54.004 -3.042 49.092 1.00 13.70 C ATOM 1471 O ASN E 212 53.932 -3.823 50.064 1.00 12.82 O ATOM 1472 CB ASN E 212 52.281 -4.535 47.932 1.00 13.69 C ATOM 1473 CG ASN E 212 51.252 -4.470 49.088 1.00 15.83 C ATOM 1474 OD1 ASN E 212 50.944 -3.387 49.588 1.00 15.12 O ATOM 1475 ND2 ASN E 212 50.728 -5.638 49.505 1.00 13.31 N ATOM 1476 N LYS E 213 54.822 -1.992 49.079 1.00 13.68 N ATOM 1477 CA LYS E 213 55.729 -1.707 50.200 1.00 11.94 C ATOM 1478 C LYS E 213 55.515 -0.276 50.677 1.00 12.39 C ATOM 1479 O LYS E 213 54.715 0.430 50.091 1.00 11.29 O ATOM 1480 CB LYS E 213 57.190 -1.845 49.771 1.00 12.68 C ATOM 1481 CG LYS E 213 57.588 -3.308 49.532 1.00 15.95 C ATOM 1482 CD LYS E 213 59.016 -3.360 49.009 1.00 17.21 C ATOM 1483 CE LYS E 213 59.350 -4.804 48.762 1.00 22.97 C ATOM 1484 NZ LYS E 213 60.780 -4.993 48.494 1.00 24.74 N ATOM 1485 N TYR E 214 56.194 0.087 51.778 1.00 11.95 N ATOM 1486 CA TYR E 214 56.148 1.437 52.381 1.00 11.87 C ATOM 1487 C TYR E 214 57.519 1.745 52.884 1.00 12.59 C ATOM 1488 O TYR E 214 58.244 0.831 53.352 1.00 13.22 O ATOM 1489 CB TYR E 214 55.121 1.487 53.535 1.00 12.27 C ATOM 1490 CG TYR E 214 53.748 1.057 53.094 1.00 12.14 C ATOM 1491 CD1 TYR E 214 52.834 1.978 52.560 1.00 12.65 C ATOM 1492 CD2 TYR E 214 53.359 -0.294 53.177 1.00 12.64 C ATOM 1493 CE1 TYR E 214 51.574 1.577 52.138 1.00 10.90 C ATOM 1494 CE2 TYR E 214 52.101 -0.715 52.765 1.00 12.68 C ATOM 1495 CZ TYR E 214 51.205 0.217 52.246 1.00 12.35 C ATOM 1496 OH TYR E 214 49.969 -0.168 51.837 1.00 13.93 O ATOM 1497 N GLY E 215 57.955 3.005 52.800 1.00 11.03 N ATOM 1498 CA GLY E 215 59.175 3.348 53.509 1.00 9.72 C ATOM 1499 C GLY E 215 59.290 4.858 53.633 1.00 9.72 C ATOM 1500 O GLY E 215 58.494 5.568 53.011 1.00 9.43 O ATOM 1501 N ALA E 216 60.251 5.292 54.439 1.00 9.51 N ATOM 1502 CA ALA E 216 60.400 6.725 54.806 1.00 10.06 C ATOM 1503 C ALA E 216 61.612 7.307 54.152 1.00 9.43 C ATOM 1504 O ALA E 216 62.707 6.792 54.350 1.00 10.65 O ATOM 1505 CB ALA E 216 60.480 6.904 56.297 1.00 8.82 C ATOM 1506 N TYR E 217 61.424 8.440 53.429 1.00 10.58 N ATOM 1507 CA TYR E 217 62.514 9.087 52.714 1.00 9.45 C ATOM 1508 C TYR E 217 62.521 10.591 52.995 1.00 9.05 C ATOM 1509 O TYR E 217 61.576 11.113 53.587 1.00 8.76 O ATOM 1510 CB TYR E 217 62.380 8.760 51.234 1.00 11.77 C ATOM 1511 CG TYR E 217 62.717 7.294 51.083 1.00 11.51 C ATOM 1512 CD1 TYR E 217 64.086 6.861 51.091 1.00 13.51 C ATOM 1513 CD2 TYR E 217 61.720 6.352 51.056 1.00 14.79 C ATOM 1514 CE1 TYR E 217 64.395 5.511 50.988 1.00 18.48 C ATOM 1515 CE2 TYR E 217 62.029 4.978 51.002 1.00 16.19 C ATOM 1516 CZ TYR E 217 63.363 4.579 50.947 1.00 18.98 C ATOM 1517 OH TYR E 217 63.690 3.195 50.869 1.00 24.22 O ATOM 1518 N ASN E 218 63.623 11.234 52.632 1.00 8.97 N ATOM 1519 CA ASN E 218 63.849 12.639 52.947 1.00 8.77 C ATOM 1520 C ASN E 218 63.981 13.366 51.600 1.00 9.09 C ATOM 1521 O ASN E 218 64.456 12.785 50.642 1.00 11.12 O ATOM 1522 CB ASN E 218 65.187 12.806 53.660 1.00 8.67 C ATOM 1523 CG ASN E 218 65.279 11.947 54.905 1.00 12.75 C ATOM 1524 OD1 ASN E 218 64.339 11.905 55.692 1.00 14.54 O ATOM 1525 ND2 ASN E 218 66.412 11.294 55.100 1.00 14.49 N ATOM 1526 N GLY E 219 63.650 14.643 51.573 1.00 9.24 N ATOM 1527 CA GLY E 219 63.843 15.448 50.362 1.00 7.43 C ATOM 1528 C GLY E 219 62.794 16.529 50.193 1.00 7.23 C ATOM 1529 O GLY E 219 61.693 16.377 50.641 1.00 8.51 O ATOM 1530 N THR E 220 63.099 17.596 49.463 1.00 7.10 N ATOM 1531 CA THR E 220 62.010 18.501 49.053 1.00 7.45 C ATOM 1532 C THR E 220 61.059 17.844 48.097 1.00 8.18 C ATOM 1533 O THR E 220 59.925 18.308 47.960 1.00 9.73 O ATOM 1534 CB THR E 220 62.527 19.824 48.502 1.00 7.05 C ATOM 1535 OG1 THR E 220 63.484 19.576 47.454 1.00 7.73 O ATOM 1536 CG2 THR E 220 63.315 20.577 49.572 1.00 8.75 C ATOM 1537 N SER E 221 61.471 16.723 47.501 1.00 7.67 N ATOM 1538 CA SER E 221 60.534 15.846 46.787 1.00 8.59 C ATOM 1539 C SER E 221 59.349 15.338 47.621 1.00 7.16 C ATOM 1540 O SER E 221 58.266 15.045 47.058 1.00 8.09 O ATOM 1541 CB SER E 221 61.233 14.603 46.310 1.00 9.44 C ATOM 1542 OG SER E 221 61.953 14.785 45.083 1.00 10.27 O ATOM 1543 N MET E 222 59.596 15.122 48.911 1.00 7.57 N ATOM 1544 CA MET E 222 58.576 14.617 49.843 1.00 9.07 C ATOM 1545 C MET E 222 57.762 15.786 50.357 1.00 8.18 C ATOM 1546 O MET E 222 56.589 15.613 50.775 1.00 9.27 O ATOM 1547 CB MET E 222 59.233 13.890 51.035 1.00 8.56 C ATOM 1548 CG MET E 222 59.682 12.490 50.705 1.00 10.75 C ATOM 1549 SD MET E 222 61.080 12.288 49.509 1.00 12.41 S ATOM 1550 CE MET E 222 60.107 11.681 48.051 1.00 11.27 C ATOM 1551 N ALA E 223 58.361 16.978 50.362 1.00 8.03 N ATOM 1552 CA ALA E 223 57.662 18.172 50.868 1.00 6.92 C ATOM 1553 C ALA E 223 56.596 18.655 49.862 1.00 7.59 C ATOM 1554 O ALA E 223 55.434 18.896 50.202 1.00 7.63 O ATOM 1555 CB ALA E 223 58.625 19.268 51.187 1.00 7.55 C ATOM 1556 N SER E 224 57.011 18.795 48.620 1.00 5.93 N ATOM 1557 CA SER E 224 56.155 19.245 47.517 1.00 7.01 C ATOM 1558 C SER E 224 54.759 18.600 47.443 1.00 7.26 C ATOM 1559 O SER E 224 53.779 19.325 47.361 1.00 8.32 O ATOM 1560 CB SER E 224 56.909 19.118 46.161 1.00 7.05 C ATOM 1561 OG SER E 224 56.133 19.676 45.087 1.00 10.08 O ATOM 1562 N PRO E 225 54.642 17.280 47.471 1.00 7.06 N ATOM 1563 CA PRO E 225 53.300 16.669 47.382 1.00 7.69 C ATOM 1564 C PRO E 225 52.414 16.957 48.578 1.00 7.63 C ATOM 1565 O PRO E 225 51.192 16.868 48.443 1.00 8.54 O ATOM 1566 CB PRO E 225 53.590 15.138 47.247 1.00 5.91 C ATOM 1567 CG PRO E 225 55.004 14.954 47.884 1.00 7.26 C ATOM 1568 CD PRO E 225 55.719 16.261 47.377 1.00 8.85 C ATOM 1569 N HIS E 226 52.979 17.342 49.736 1.00 8.34 N ATOM 1570 CA HIS E 226 52.055 17.755 50.812 1.00 8.45 C ATOM 1571 C HIS E 226 51.276 19.009 50.339 1.00 8.35 C ATOM 1572 O HIS E 226 50.066 19.198 50.636 1.00 7.88 O ATOM 1573 CB HIS E 226 52.830 18.131 52.090 1.00 6.51 C ATOM 1574 CG HIS E 226 53.320 16.938 52.843 1.00 8.75 C ATOM 1575 ND1 HIS E 226 54.518 16.312 52.547 1.00 7.44 N ATOM 1576 CD2 HIS E 226 52.767 16.244 53.873 1.00 8.12 C ATOM 1577 CE1 HIS E 226 54.699 15.290 53.374 1.00 6.30 C ATOM 1578 NE2 HIS E 226 53.652 15.230 54.205 1.00 8.72 N ATOM 1579 N VAL E 227 51.984 19.900 49.664 1.00 7.19 N ATOM 1580 CA VAL E 227 51.370 21.137 49.168 1.00 9.14 C ATOM 1581 C VAL E 227 50.470 20.875 47.978 1.00 8.46 C ATOM 1582 O VAL E 227 49.411 21.510 47.894 1.00 9.31 O ATOM 1583 CB VAL E 227 52.452 22.212 48.864 1.00 8.87 C ATOM 1584 CG1 VAL E 227 51.887 23.494 48.277 1.00 10.90 C ATOM 1585 CG2 VAL E 227 53.222 22.541 50.144 1.00 9.07 C ATOM 1586 N ALA E 228 50.874 19.969 47.066 1.00 9.14 N ATOM 1587 CA ALA E 228 49.984 19.606 45.929 1.00 8.71 C ATOM 1588 C ALA E 228 48.705 18.960 46.473 1.00 9.55 C ATOM 1589 O ALA E 228 47.604 19.277 46.020 1.00 9.70 O ATOM 1590 CB ALA E 228 50.714 18.639 44.976 1.00 7.51 C ATOM 1591 N GLY E 229 48.839 18.070 47.467 1.00 10.49 N ATOM 1592 CA GLY E 229 47.665 17.480 48.105 1.00 9.34 C ATOM 1593 C GLY E 229 46.782 18.534 48.798 1.00 8.95 C ATOM 1594 O GLY E 229 45.534 18.467 48.741 1.00 10.40 O ATOM 1595 N ALA E 230 47.407 19.498 49.483 1.00 8.97 N ATOM 1596 CA ALA E 230 46.669 20.563 50.165 1.00 9.89 C ATOM 1597 C ALA E 230 45.866 21.357 49.142 1.00 9.72 C ATOM 1598 O ALA E 230 44.725 21.732 49.423 1.00 10.84 O ATOM 1599 CB ALA E 230 47.657 21.475 50.956 1.00 9.86 C ATOM 1600 N ALA E 231 46.488 21.646 47.984 1.00 9.36 N ATOM 1601 CA ALA E 231 45.792 22.368 46.890 1.00 9.68 C ATOM 1602 C ALA E 231 44.531 21.565 46.510 1.00 11.14 C ATOM 1603 O ALA E 231 43.426 22.123 46.336 1.00 12.37 O ATOM 1604 CB ALA E 231 46.733 22.556 45.662 1.00 10.19 C ATOM 1605 N ALA E 232 44.681 20.248 46.377 1.00 9.96 N ATOM 1606 CA ALA E 232 43.531 19.413 46.052 1.00 10.61 C ATOM 1607 C ALA E 232 42.432 19.428 47.137 1.00 11.17 C ATOM 1608 O ALA E 232 41.232 19.407 46.790 1.00 11.63 O ATOM 1609 CB ALA E 232 43.949 18.020 45.732 1.00 12.45 C ATOM 1610 N LEU E 233 42.824 19.386 48.414 1.00 10.84 N ATOM 1611 CA LEU E 233 41.834 19.479 49.507 1.00 11.97 C ATOM 1612 C LEU E 233 41.068 20.790 49.388 1.00 13.55 C ATOM 1613 O LEU E 233 39.823 20.833 49.546 1.00 13.40 O ATOM 1614 CB LEU E 233 42.521 19.399 50.883 1.00 10.93 C ATOM 1615 CG LEU E 233 43.095 18.029 51.281 1.00 13.38 C ATOM 1616 CD1 LEU E 233 43.696 18.172 52.661 1.00 13.30 C ATOM 1617 CD2 LEU E 233 42.027 16.935 51.255 1.00 13.50 C ATOM 1618 N ILE E 234 41.808 21.872 49.096 1.00 12.72 N ATOM 1619 CA ILE E 234 41.211 23.208 49.032 1.00 12.61 C ATOM 1620 C ILE E 234 40.227 23.246 47.875 1.00 13.43 C ATOM 1621 O ILE E 234 39.088 23.718 48.034 1.00 14.32 O ATOM 1622 CB ILE E 234 42.306 24.329 48.857 1.00 12.64 C ATOM 1623 CG1 ILE E 234 43.113 24.478 50.129 1.00 10.92 C ATOM 1624 CG2 ILE E 234 41.656 25.669 48.456 1.00 12.74 C ATOM 1625 CD1 ILE E 234 44.454 25.118 50.011 1.00 9.57 C ATOM 1626 N LEU E 235 40.629 22.731 46.724 1.00 13.88 N ATOM 1627 CA LEU E 235 39.750 22.736 45.547 1.00 14.58 C ATOM 1628 C LEU E 235 38.520 21.803 45.732 1.00 15.44 C ATOM 1629 O LEU E 235 37.452 22.082 45.176 1.00 15.55 O ATOM 1630 CB LEU E 235 40.540 22.397 44.271 1.00 14.50 C ATOM 1631 CG LEU E 235 41.418 23.560 43.761 1.00 13.28 C ATOM 1632 CD1 LEU E 235 42.341 23.085 42.666 1.00 13.38 C ATOM 1633 CD2 LEU E 235 40.499 24.689 43.202 1.00 13.69 C ATOM 1634 N SER E 236 38.644 20.737 46.532 1.00 15.30 N ATOM 1635 CA SER E 236 37.472 19.878 46.747 1.00 16.26 C ATOM 1636 C SER E 236 36.402 20.616 47.558 1.00 17.98 C ATOM 1637 O SER E 236 35.207 20.368 47.383 1.00 19.94 O ATOM 1638 CB SER E 236 37.857 18.513 47.333 1.00 16.57 C ATOM 1639 OG SER E 236 38.191 18.579 48.682 1.00 15.89 O ATOM 1640 N LYS E 237 36.826 21.527 48.421 1.00 17.10 N ATOM 1641 CA LYS E 237 35.905 22.340 49.229 1.00 18.12 C ATOM 1642 C LYS E 237 35.423 23.581 48.458 1.00 17.98 C ATOM 1643 O LYS E 237 34.240 23.983 48.579 1.00 19.16 O ATOM 1644 CB LYS E 237 36.549 22.763 50.554 1.00 16.72 C ATOM 1645 CG LYS E 237 35.660 23.608 51.511 1.00 20.77 C ATOM 1646 CD LYS E 237 36.344 23.749 52.890 1.00 20.83 C ATOM 1647 CE LYS E 237 35.630 24.712 53.867 1.00 20.74 C ATOM 1648 NZ LYS E 237 36.263 24.605 55.238 1.00 24.70 N ATOM 1649 N HIS E 238 36.314 24.168 47.663 1.00 16.96 N ATOM 1650 CA HIS E 238 36.094 25.444 46.949 1.00 18.48 C ATOM 1651 C HIS E 238 36.394 25.277 45.431 1.00 18.57 C ATOM 1652 O HIS E 238 37.379 25.827 44.904 1.00 17.50 O ATOM 1653 CB HIS E 238 36.965 26.562 47.526 1.00 17.80 C ATOM 1654 CG HIS E 238 36.797 26.802 48.996 1.00 19.77 C ATOM 1655 ND1 HIS E 238 35.736 27.511 49.524 1.00 22.99 N ATOM 1656 CD2 HIS E 238 37.583 26.464 50.052 1.00 20.37 C ATOM 1657 CE1 HIS E 238 35.869 27.591 50.838 1.00 21.90 C ATOM 1658 NE2 HIS E 238 36.996 26.988 51.182 1.00 21.51 N ATOM 1659 N PRO E 239 35.572 24.475 44.731 1.00 19.97 N ATOM 1660 CA PRO E 239 35.814 24.137 43.331 1.00 20.35 C ATOM 1661 C PRO E 239 35.812 25.354 42.415 1.00 20.68 C ATOM 1662 O PRO E 239 36.304 25.238 41.329 1.00 20.69 O ATOM 1663 CB PRO E 239 34.636 23.189 42.985 1.00 21.33 C ATOM 1664 CG PRO E 239 33.659 23.382 44.042 1.00 20.81 C ATOM 1665 CD PRO E 239 34.385 23.786 45.259 1.00 20.35 C ATOM 1666 N ASN E 240 35.280 26.484 42.866 1.00 20.40 N ATOM 1667 CA ASN E 240 35.262 27.685 42.038 1.00 22.31 C ATOM 1668 C ASN E 240 36.460 28.604 42.261 1.00 20.18 C ATOM 1669 O ASN E 240 36.631 29.557 41.532 1.00 20.94 O ATOM 1670 CB ASN E 240 33.917 28.397 42.168 1.00 22.96 C ATOM 1671 CG ASN E 240 32.800 27.591 41.532 1.00 28.74 C ATOM 1672 OD1 ASN E 240 32.922 27.155 40.366 1.00 36.17 O ATOM 1673 ND2 ASN E 240 31.710 27.372 42.277 1.00 32.42 N ATOM 1674 N TRP E 241 37.323 28.312 43.242 1.00 18.67 N ATOM 1675 CA TRP E 241 38.473 29.199 43.438 1.00 16.86 C ATOM 1676 C TRP E 241 39.460 29.060 42.284 1.00 15.93 C ATOM 1677 O TRP E 241 39.677 27.950 41.765 1.00 16.32 O ATOM 1678 CB TRP E 241 39.222 28.900 44.761 1.00 17.13 C ATOM 1679 CG TRP E 241 38.543 29.372 46.032 1.00 17.13 C ATOM 1680 CD1 TRP E 241 37.253 29.845 46.165 1.00 21.01 C ATOM 1681 CD2 TRP E 241 39.094 29.336 47.349 1.00 16.34 C ATOM 1682 NE1 TRP E 241 36.993 30.154 47.483 1.00 22.00 N ATOM 1683 CE2 TRP E 241 38.103 29.837 48.234 1.00 21.63 C ATOM 1684 CE3 TRP E 241 40.355 28.969 47.870 1.00 16.74 C ATOM 1685 CZ2 TRP E 241 38.312 29.946 49.609 1.00 20.12 C ATOM 1686 CZ3 TRP E 241 40.571 29.089 49.235 1.00 18.19 C ATOM 1687 CH2 TRP E 241 39.551 29.582 50.093 1.00 20.91 C ATOM 1688 N THR E 242 40.111 30.167 41.928 1.00 16.48 N ATOM 1689 CA THR E 242 41.121 30.137 40.862 1.00 16.73 C ATOM 1690 C THR E 242 42.439 29.619 41.471 1.00 15.38 C ATOM 1691 O THR E 242 42.585 29.535 42.712 1.00 14.96 O ATOM 1692 CB THR E 242 41.389 31.532 40.287 1.00 17.11 C ATOM 1693 OG1 THR E 242 41.861 32.382 41.328 1.00 15.12 O ATOM 1694 CG2 THR E 242 40.098 32.219 39.776 1.00 18.65 C ATOM 1695 N ASN E 243 43.367 29.258 40.603 1.00 14.97 N ATOM 1696 CA ASN E 243 44.707 28.907 41.067 1.00 13.98 C ATOM 1697 C ASN E 243 45.375 30.037 41.855 1.00 13.06 C ATOM 1698 O ASN E 243 46.045 29.789 42.871 1.00 13.82 O ATOM 1699 CB ASN E 243 45.610 28.348 39.945 1.00 11.93 C ATOM 1700 CG ASN E 243 45.909 29.363 38.817 1.00 11.15 C ATOM 1701 OD1 ASN E 243 45.225 30.354 38.656 1.00 15.27 O ATOM 1702 ND2 ASN E 243 46.890 29.033 37.986 1.00 12.44 N ATOM 1703 N THR E 244 45.158 31.281 41.429 1.00 14.28 N ATOM 1704 CA THR E 244 45.576 32.473 42.220 1.00 14.54 C ATOM 1705 C THR E 244 45.051 32.464 43.675 1.00 14.67 C ATOM 1706 O THR E 244 45.805 32.735 44.622 1.00 13.18 O ATOM 1707 CB THR E 244 45.030 33.755 41.501 1.00 15.48 C ATOM 1708 OG1 THR E 244 45.408 33.704 40.108 1.00 20.84 O ATOM 1709 CG2 THR E 244 45.767 35.006 42.011 1.00 19.40 C ATOM 1710 N GLN E 245 43.760 32.189 43.830 1.00 13.60 N ATOM 1711 CA GLN E 245 43.147 32.127 45.151 1.00 14.97 C ATOM 1712 C GLN E 245 43.669 30.942 46.011 1.00 14.06 C ATOM 1713 O GLN E 245 43.893 31.087 47.216 1.00 14.21 O ATOM 1714 CB GLN E 245 41.636 32.069 45.015 1.00 15.66 C ATOM 1715 CG GLN E 245 41.085 33.465 44.670 1.00 19.34 C ATOM 1716 CD GLN E 245 39.689 33.506 44.102 1.00 21.02 C ATOM 1717 OE1 GLN E 245 39.161 32.523 43.544 1.00 21.25 O ATOM 1718 NE2 GLN E 245 39.094 34.719 44.167 1.00 27.73 N ATOM 1719 N VAL E 246 43.842 29.776 45.396 1.00 12.63 N ATOM 1720 CA VAL E 246 44.398 28.644 46.144 1.00 12.27 C ATOM 1721 C VAL E 246 45.822 28.983 46.583 1.00 12.35 C ATOM 1722 O VAL E 246 46.204 28.817 47.758 1.00 12.61 O ATOM 1723 CB VAL E 246 44.414 27.388 45.275 1.00 11.19 C ATOM 1724 CG1 VAL E 246 45.106 26.233 46.004 1.00 11.45 C ATOM 1725 CG2 VAL E 246 42.937 26.995 44.906 1.00 12.07 C ATOM 1726 N ARG E 247 46.625 29.486 45.669 1.00 10.64 N ATOM 1727 CA ARG E 247 47.958 29.895 46.062 1.00 10.90 C ATOM 1728 C ARG E 247 48.033 30.938 47.197 1.00 11.46 C ATOM 1729 O ARG E 247 48.784 30.759 48.146 1.00 12.21 O ATOM 1730 CB ARG E 247 48.779 30.347 44.850 1.00 11.99 C ATOM 1731 CG ARG E 247 50.219 30.838 45.205 1.00 11.91 C ATOM 1732 CD ARG E 247 51.041 31.133 43.956 1.00 16.47 C ATOM 1733 NE ARG E 247 52.444 31.381 44.244 1.00 15.51 N ATOM 1734 CZ ARG E 247 53.418 31.451 43.330 1.00 17.44 C ATOM 1735 NH1 ARG E 247 53.156 31.267 42.048 1.00 15.24 N ATOM 1736 NH2 ARG E 247 54.656 31.689 43.722 1.00 19.10 N ATOM 1737 N SER E 248 47.303 32.046 47.079 1.00 12.57 N ATOM 1738 CA SER E 248 47.391 33.053 48.166 1.00 12.96 C ATOM 1739 C SER E 248 46.886 32.496 49.465 1.00 13.22 C ATOM 1740 O SER E 248 47.368 32.877 50.525 1.00 13.64 O ATOM 1741 CB SER E 248 46.601 34.338 47.895 1.00 13.73 C ATOM 1742 OG ASER E 248 46.895 34.851 46.625 0.67 16.45 O ATOM 1743 OG BSER E 248 45.294 34.083 47.435 0.33 12.39 O ATOM 1744 N SER E 249 45.856 31.678 49.377 1.00 13.33 N ATOM 1745 CA SER E 249 45.279 31.091 50.569 1.00 14.23 C ATOM 1746 C SER E 249 46.309 30.260 51.292 1.00 12.77 C ATOM 1747 O SER E 249 46.441 30.377 52.518 1.00 13.49 O ATOM 1748 CB SER E 249 43.991 30.310 50.336 1.00 15.40 C ATOM 1749 OG ASER E 249 44.197 28.969 49.862 0.67 15.39 O ATOM 1750 OG BSER E 249 43.440 30.016 51.603 0.33 15.35 O ATOM 1751 N LEU E 250 47.053 29.424 50.536 1.00 12.19 N ATOM 1752 CA LEU E 250 48.154 28.659 51.175 1.00 11.49 C ATOM 1753 C LEU E 250 49.253 29.551 51.745 1.00 13.42 C ATOM 1754 O LEU E 250 49.801 29.262 52.813 1.00 14.09 O ATOM 1755 CB LEU E 250 48.816 27.728 50.143 1.00 11.26 C ATOM 1756 CG LEU E 250 47.935 26.491 49.852 1.00 14.30 C ATOM 1757 CD1 LEU E 250 48.378 25.744 48.612 1.00 15.34 C ATOM 1758 CD2 LEU E 250 47.918 25.547 51.080 1.00 14.06 C ATOM 1759 N GLU E 251 49.609 30.620 51.023 1.00 11.58 N ATOM 1760 CA GLU E 251 50.734 31.460 51.442 1.00 12.33 C ATOM 1761 C GLU E 251 50.319 32.314 52.631 1.00 12.51 C ATOM 1762 O GLU E 251 51.134 32.603 53.518 1.00 13.49 O ATOM 1763 CB GLU E 251 51.116 32.376 50.306 1.00 11.16 C ATOM 1764 CG GLU E 251 51.828 31.592 49.175 1.00 12.07 C ATOM 1765 CD GLU E 251 52.036 32.451 47.955 1.00 13.53 C ATOM 1766 OE1 GLU E 251 51.405 33.473 47.836 1.00 11.86 O ATOM 1767 OE2 GLU E 251 52.822 31.978 47.017 1.00 13.80 O ATOM 1768 N ASN E 252 49.039 32.671 52.654 1.00 13.76 N ATOM 1769 CA ASN E 252 48.602 33.647 53.671 1.00 14.19 C ATOM 1770 C ASN E 252 48.221 33.094 55.010 1.00 14.90 C ATOM 1771 O ASN E 252 48.048 33.885 55.965 1.00 16.33 O ATOM 1772 CB ASN E 252 47.467 34.545 53.150 1.00 14.20 C ATOM 1773 CG ASN E 252 47.946 35.514 52.104 1.00 16.36 C ATOM 1774 OD1 ASN E 252 49.139 35.670 51.903 1.00 19.55 O ATOM 1775 ND2 ASN E 252 47.013 36.144 51.414 1.00 19.15 N ATOM 1776 N THR E 253 48.099 31.773 55.124 1.00 13.26 N ATOM 1777 CA THR E 253 47.625 31.140 56.365 1.00 12.72 C ATOM 1778 C THR E 253 48.685 30.180 56.907 1.00 12.42 C ATOM 1779 O THR E 253 48.385 29.328 57.715 1.00 12.80 O ATOM 1780 CB THR E 253 46.328 30.342 56.103 1.00 12.68 C ATOM 1781 OG1 THR E 253 46.552 29.404 55.040 1.00 12.07 O ATOM 1782 CG2 THR E 253 45.179 31.264 55.589 1.00 12.81 C ATOM 1783 N THR E 254 49.934 30.334 56.476 1.00 12.65 N ATOM 1784 CA THR E 254 51.009 29.508 57.032 1.00 13.52 C ATOM 1785 C THR E 254 51.223 29.759 58.497 1.00 13.42 C ATOM 1786 O THR E 254 50.878 30.818 59.008 1.00 14.85 O ATOM 1787 CB THR E 254 52.369 29.807 56.386 1.00 13.05 C ATOM 1788 OG1 THR E 254 52.559 31.228 56.359 1.00 14.52 O ATOM 1789 CG2 THR E 254 52.427 29.379 54.930 1.00 13.43 C ATOM 1790 N THR E 255 51.807 28.782 59.160 1.00 12.96 N ATOM 1791 CA THR E 255 52.429 29.015 60.468 1.00 12.84 C ATOM 1792 C THR E 255 53.826 29.566 60.198 1.00 11.90 C ATOM 1793 O THR E 255 54.679 28.866 59.637 1.00 11.63 O ATOM 1794 CB THR E 255 52.423 27.697 61.261 1.00 13.38 C ATOM 1795 OG1 THR E 255 51.065 27.398 61.673 1.00 15.18 O ATOM 1796 CG2 THR E 255 53.197 27.837 62.567 1.00 15.68 C ATOM 1797 N LYS E 256 54.071 30.845 60.545 1.00 12.87 N ATOM 1798 CA LYS E 256 55.368 31.458 60.262 1.00 12.99 C ATOM 1799 C LYS E 256 56.437 30.795 61.062 1.00 12.98 C ATOM 1800 O LYS E 256 56.236 30.537 62.240 1.00 14.10 O ATOM 1801 CB LYS E 256 55.303 32.932 60.674 1.00 14.39 C ATOM 1802 CG LYS E 256 54.325 33.688 59.826 1.00 20.59 C ATOM 1803 CD LYS E 256 54.084 35.047 60.442 1.00 29.09 C ATOM 1804 CE LYS E 256 53.467 35.974 59.405 1.00 33.69 C ATOM 1805 NZ LYS E 256 51.993 35.736 59.300 1.00 37.37 N ATOM 1806 N LEU E 257 57.589 30.533 60.436 1.00 10.81 N ATOM 1807 CA LEU E 257 58.638 29.755 61.099 1.00 11.80 C ATOM 1808 C LEU E 257 59.906 30.553 61.358 1.00 12.14 C ATOM 1809 O LEU E 257 60.593 30.313 62.374 1.00 13.45 O ATOM 1810 CB LEU E 257 58.988 28.499 60.283 1.00 10.69 C ATOM 1811 CG LEU E 257 57.833 27.485 60.198 1.00 12.89 C ATOM 1812 CD1 LEU E 257 58.299 26.277 59.430 1.00 10.30 C ATOM 1813 CD2 LEU E 257 57.279 27.066 61.547 1.00 14.24 C ATOM 1814 N GLY E 258 60.229 31.503 60.478 1.00 11.15 N ATOM 1815 CA GLY E 258 61.467 32.234 60.617 1.00 12.67 C ATOM 1816 C GLY E 258 61.798 33.067 59.411 1.00 11.95 C ATOM 1817 O GLY E 258 60.916 33.641 58.763 1.00 13.03 O ATOM 1818 N ASP E 259 63.089 33.122 59.102 1.00 11.37 N ATOM 1819 CA ASP E 259 63.646 34.007 58.096 1.00 11.44 C ATOM 1820 C ASP E 259 63.164 33.495 56.736 1.00 10.93 C ATOM 1821 O ASP E 259 63.332 32.332 56.441 1.00 11.13 O ATOM 1822 CB ASP E 259 65.168 33.884 58.250 1.00 10.22 C ATOM 1823 CG ASP E 259 65.920 34.809 57.327 1.00 14.46 C ATOM 1824 OD1 ASP E 259 65.494 34.999 56.167 1.00 18.69 O ATOM 1825 OD2 ASP E 259 66.888 35.458 57.703 1.00 16.93 O ATOM 1826 N SER E 260 62.573 34.364 55.934 1.00 11.84 N ATOM 1827 CA SER E 260 62.030 33.950 54.624 1.00 12.34 C ATOM 1828 C SER E 260 63.072 33.358 53.672 1.00 11.46 C ATOM 1829 O SER E 260 62.720 32.546 52.773 1.00 12.66 O ATOM 1830 CB SER E 260 61.374 35.151 53.919 1.00 13.59 C ATOM 1831 OG ASER E 260 62.406 36.056 53.502 0.67 16.09 O ATOM 1832 OG BSER E 260 60.447 35.802 54.753 0.33 14.18 O ATOM 1833 N PHE E 261 64.348 33.734 53.805 1.00 10.33 N ATOM 1834 CA PHE E 261 65.407 33.101 52.999 1.00 11.67 C ATOM 1835 C PHE E 261 65.496 31.583 53.226 1.00 11.82 C ATOM 1836 O PHE E 261 65.873 30.818 52.331 1.00 11.92 O ATOM 1837 CB PHE E 261 66.759 33.747 53.353 1.00 11.65 C ATOM 1838 CG PHE E 261 67.875 33.380 52.437 1.00 12.42 C ATOM 1839 CD1 PHE E 261 67.988 33.969 51.172 1.00 16.56 C ATOM 1840 CD2 PHE E 261 68.821 32.446 52.845 1.00 16.06 C ATOM 1841 CE1 PHE E 261 69.056 33.630 50.316 1.00 14.36 C ATOM 1842 CE2 PHE E 261 69.914 32.110 51.978 1.00 15.42 C ATOM 1843 CZ PHE E 261 70.004 32.711 50.732 1.00 14.61 C ATOM 1844 N TYR E 262 65.212 31.144 54.452 1.00 9.50 N ATOM 1845 CA TYR E 262 65.394 29.736 54.836 1.00 10.13 C ATOM 1846 C TYR E 262 64.082 28.992 54.938 1.00 9.58 C ATOM 1847 O TYR E 262 64.052 27.781 54.795 1.00 10.10 O ATOM 1848 CB TYR E 262 66.076 29.731 56.229 1.00 10.65 C ATOM 1849 CG TYR E 262 67.502 30.199 56.153 1.00 12.71 C ATOM 1850 CD1 TYR E 262 68.495 29.401 55.602 1.00 18.04 C ATOM 1851 CD2 TYR E 262 67.845 31.472 56.639 1.00 17.63 C ATOM 1852 CE1 TYR E 262 69.809 29.843 55.563 1.00 20.06 C ATOM 1853 CE2 TYR E 262 69.153 31.932 56.596 1.00 18.91 C ATOM 1854 CZ TYR E 262 70.121 31.128 56.046 1.00 23.02 C ATOM 1855 OH TYR E 262 71.424 31.610 56.036 1.00 26.85 O ATOM 1856 N TYR E 263 62.989 29.721 55.208 1.00 10.06 N ATOM 1857 CA TYR E 263 61.707 29.102 55.492 1.00 10.87 C ATOM 1858 C TYR E 263 60.573 29.646 54.630 1.00 10.71 C ATOM 1859 O TYR E 263 59.438 29.250 54.841 1.00 10.17 O ATOM 1860 CB TYR E 263 61.336 29.374 56.971 1.00 8.61 C ATOM 1861 CG TYR E 263 62.130 28.557 57.929 1.00 10.32 C ATOM 1862 CD1 TYR E 263 61.716 27.270 58.244 1.00 10.02 C ATOM 1863 CD2 TYR E 263 63.244 29.075 58.565 1.00 12.02 C ATOM 1864 CE1 TYR E 263 62.424 26.480 59.189 1.00 9.60 C ATOM 1865 CE2 TYR E 263 63.961 28.313 59.493 1.00 11.48 C ATOM 1866 CZ TYR E 263 63.538 27.014 59.811 1.00 11.80 C ATOM 1867 OH TYR E 263 64.221 26.224 60.735 1.00 12.34 O ATOM 1868 N GLY E 264 60.837 30.590 53.721 1.00 11.20 N ATOM 1869 CA GLY E 264 59.705 31.166 52.979 1.00 11.17 C ATOM 1870 C GLY E 264 58.666 31.734 53.939 1.00 9.75 C ATOM 1871 O GLY E 264 59.000 32.306 54.989 1.00 10.33 O ATOM 1872 N LYS E 265 57.404 31.556 53.594 1.00 10.70 N ATOM 1873 CA LYS E 265 56.310 32.040 54.447 1.00 11.17 C ATOM 1874 C LYS E 265 56.029 31.179 55.648 1.00 10.42 C ATOM 1875 O LYS E 265 55.207 31.559 56.513 1.00 12.94 O ATOM 1876 CB LYS E 265 55.056 32.229 53.600 1.00 11.67 C ATOM 1877 CG LYS E 265 55.295 33.372 52.549 1.00 13.53 C ATOM 1878 CD LYS E 265 54.272 33.372 51.485 1.00 17.52 C ATOM 1879 CE LYS E 265 54.537 34.426 50.330 1.00 18.41 C ATOM 1880 NZ ALYS E 265 55.740 34.045 49.487 0.67 17.53 N ATOM 1881 NZ BLYS E 265 55.531 35.477 50.630 0.33 13.94 N ATOM 1882 N GLY E 266 56.673 30.001 55.715 1.00 10.27 N ATOM 1883 CA GLY E 266 56.487 29.073 56.816 1.00 8.98 C ATOM 1884 C GLY E 266 55.713 27.826 56.416 1.00 10.84 C ATOM 1885 O GLY E 266 55.576 27.499 55.222 1.00 9.76 O ATOM 1886 N LEU E 267 55.166 27.167 57.438 1.00 9.97 N ATOM 1887 CA LEU E 267 54.516 25.828 57.259 1.00 10.82 C ATOM 1888 C LEU E 267 53.109 25.962 56.793 1.00 10.67 C ATOM 1889 O LEU E 267 52.320 26.685 57.419 1.00 11.22 O ATOM 1890 CB LEU E 267 54.568 25.072 58.611 1.00 10.54 C ATOM 1891 CG LEU E 267 53.881 23.679 58.538 1.00 9.72 C ATOM 1892 CD1 LEU E 267 54.703 22.628 57.675 1.00 10.91 C ATOM 1893 CD2 LEU E 267 53.577 23.168 59.996 1.00 11.40 C ATOM 1894 N ILE E 268 52.746 25.272 55.696 1.00 9.17 N ATOM 1895 CA ILE E 268 51.351 25.354 55.259 1.00 8.57 C ATOM 1896 C ILE E 268 50.412 24.770 56.324 1.00 9.46 C ATOM 1897 O ILE E 268 50.784 23.850 57.065 1.00 9.65 O ATOM 1898 CB ILE E 268 51.087 24.668 53.872 1.00 9.73 C ATOM 1899 CG1 ILE E 268 51.461 23.169 53.907 1.00 9.75 C ATOM 1900 CG2 ILE E 268 51.778 25.458 52.696 1.00 9.61 C ATOM 1901 CD1 ILE E 268 50.575 22.342 52.954 1.00 8.66 C ATOM 1902 N ASN E 269 49.195 25.317 56.336 1.00 8.87 N ATOM 1903 CA ASN E 269 48.108 24.848 57.235 1.00 9.91 C ATOM 1904 C ASN E 269 46.890 24.801 56.373 1.00 10.61 C ATOM 1905 O ASN E 269 46.296 25.820 56.063 1.00 12.27 O ATOM 1906 CB ASN E 269 47.956 25.832 58.425 1.00 9.83 C ATOM 1907 CG ASN E 269 46.783 25.534 59.295 1.00 12.73 C ATOM 1908 OD1 ASN E 269 45.931 24.737 58.941 1.00 13.20 O ATOM 1909 ND2 ASN E 269 46.713 26.189 60.452 1.00 15.42 N ATOM 1910 N VAL E 270 46.529 23.611 55.921 1.00 11.29 N ATOM 1911 CA VAL E 270 45.480 23.509 54.907 1.00 11.54 C ATOM 1912 C VAL E 270 44.119 23.770 55.542 1.00 12.72 C ATOM 1913 O VAL E 270 43.176 24.193 54.845 1.00 13.84 O ATOM 1914 CB VAL E 270 45.524 22.145 54.164 1.00 11.25 C ATOM 1915 CG1 VAL E 270 45.063 20.959 55.112 1.00 12.96 C ATOM 1916 CG2 VAL E 270 44.652 22.203 52.889 1.00 12.83 C ATOM 1917 N GLN E 271 44.013 23.534 56.856 1.00 13.25 N ATOM 1918 CA GLN E 271 42.761 23.831 57.545 1.00 14.34 C ATOM 1919 C GLN E 271 42.456 25.322 57.513 1.00 14.39 C ATOM 1920 O GLN E 271 41.340 25.752 57.117 1.00 15.46 O ATOM 1921 CB GLN E 271 42.746 23.265 58.985 1.00 15.05 C ATOM 1922 CG GLN E 271 41.483 23.732 59.805 1.00 17.91 C ATOM 1923 CD GLN E 271 41.538 23.254 61.257 1.00 22.32 C ATOM 1924 OE1 GLN E 271 42.619 23.128 61.824 1.00 26.58 O ATOM 1925 NE2 GLN E 271 40.373 22.960 61.848 1.00 22.96 N ATOM 1926 N ALA E 272 43.437 26.116 57.922 1.00 14.45 N ATOM 1927 CA ALA E 272 43.318 27.572 57.842 1.00 13.66 C ATOM 1928 C ALA E 272 43.127 28.036 56.381 1.00 14.57 C ATOM 1929 O ALA E 272 42.327 28.938 56.101 1.00 15.31 O ATOM 1930 CB ALA E 272 44.562 28.205 58.433 1.00 13.74 C ATOM 1931 N ALA E 273 43.857 27.427 55.436 1.00 13.64 N ATOM 1932 CA ALA E 273 43.816 27.904 54.050 1.00 14.09 C ATOM 1933 C ALA E 273 42.424 27.687 53.458 1.00 14.90 C ATOM 1934 O ALA E 273 41.942 28.509 52.671 1.00 15.29 O ATOM 1935 CB ALA E 273 44.851 27.169 53.184 1.00 11.61 C ATOM 1936 N ALA E 274 41.799 26.570 53.805 1.00 15.44 N ATOM 1937 CA ALA E 274 40.481 26.238 53.252 1.00 16.68 C ATOM 1938 C ALA E 274 39.315 26.910 54.022 1.00 18.81 C ATOM 1939 O ALA E 274 38.159 26.721 53.636 1.00 18.86 O ATOM 1940 CB ALA E 274 40.299 24.684 53.192 1.00 15.58 C ATOM 1941 N GLN E 275 39.669 27.640 55.103 1.00 21.10 N ATOM 1942 CA GLN E 275 38.924 28.729 55.814 1.00 24.93 C ATOM 1943 C GLN E 275 38.892 28.598 57.350 1.00 24.87 C ATOM 1944 CB GLN E 275 37.541 29.064 55.231 1.00 27.00 C ATOM 1945 CG GLN E 275 37.574 29.941 53.960 1.00 31.76 C ATOM 1946 CD GLN E 275 36.264 30.740 53.727 1.00 40.49 C ATOM 1947 OE1 GLN E 275 36.306 31.925 53.349 1.00 43.58 O ATOM 1948 NE2 GLN E 275 35.111 30.089 53.937 1.00 42.74 N TER 1949 GLN E 275 ATOM 1950 N LYS I 21 83.046 16.279 53.128 1.00 36.19 N ATOM 1951 CA LYS I 21 82.001 15.541 53.911 1.00 35.77 C ATOM 1952 C LYS I 21 80.584 15.548 53.296 1.00 35.02 C ATOM 1953 O LYS I 21 79.939 14.479 53.189 1.00 35.28 O ATOM 1954 CB LYS I 21 81.960 16.028 55.361 1.00 36.20 C ATOM 1955 CG LYS I 21 80.974 15.275 56.263 1.00 35.62 C ATOM 1956 CD LYS I 21 79.807 16.202 56.741 1.00 34.71 C ATOM 1957 CE LYS I 21 79.899 17.627 56.116 1.00 35.66 C ATOM 1958 NZ LYS I 21 78.669 18.486 56.176 0.50 34.07 N ATOM 1959 N THR I 22 80.066 16.727 52.947 1.00 33.70 N ATOM 1960 CA THR I 22 78.860 16.763 52.119 1.00 32.14 C ATOM 1961 C THR I 22 79.055 17.484 50.792 1.00 30.96 C ATOM 1962 O THR I 22 78.240 17.314 49.910 1.00 29.29 O ATOM 1963 CB THR I 22 77.600 17.340 52.834 1.00 32.70 C ATOM 1964 OG1 THR I 22 77.873 18.642 53.356 1.00 32.07 O ATOM 1965 CG2 THR I 22 77.189 16.509 54.036 1.00 35.07 C ATOM 1966 N GLU I 23 80.109 18.296 50.644 1.00 29.40 N ATOM 1967 CA GLU I 23 80.334 18.957 49.363 1.00 29.66 C ATOM 1968 C GLU I 23 81.811 19.084 49.007 1.00 28.53 C ATOM 1969 O GLU I 23 82.666 19.073 49.905 1.00 27.07 O ATOM 1970 CB GLU I 23 79.544 20.282 49.234 1.00 31.27 C ATOM 1971 CG GLU I 23 80.038 21.458 50.035 1.00 34.71 C ATOM 1972 CD GLU I 23 79.001 22.586 50.144 1.00 40.07 C ATOM 1973 OE1 GLU I 23 78.134 22.753 49.244 1.00 42.44 O ATOM 1974 OE2 GLU I 23 79.046 23.311 51.157 1.00 42.28 O ATOM 1975 N TRP I 24 82.094 19.199 47.702 1.00 27.13 N ATOM 1976 CA TRP I 24 83.468 19.158 47.190 1.00 26.95 C ATOM 1977 C TRP I 24 83.765 20.270 46.186 1.00 27.55 C ATOM 1978 O TRP I 24 83.969 20.005 45.012 1.00 26.09 O ATOM 1979 CB TRP I 24 83.752 17.807 46.533 1.00 26.46 C ATOM 1980 CG TRP I 24 83.828 16.644 47.474 1.00 25.36 C ATOM 1981 CD1 TRP I 24 84.955 16.130 48.065 1.00 24.73 C ATOM 1982 CD2 TRP I 24 82.734 15.836 47.942 1.00 23.75 C ATOM 1983 NE1 TRP I 24 84.627 15.065 48.873 1.00 23.97 N ATOM 1984 CE2 TRP I 24 83.273 14.862 48.815 1.00 24.63 C ATOM 1985 CE3 TRP I 24 81.341 15.849 47.722 1.00 22.37 C ATOM 1986 CZ2 TRP I 24 82.485 13.902 49.449 1.00 21.62 C ATOM 1987 CZ3 TRP I 24 80.559 14.903 48.343 1.00 21.55 C ATOM 1988 CH2 TRP I 24 81.130 13.931 49.207 1.00 24.65 C ATOM 1989 N PRO I 25 83.834 21.513 46.658 1.00 28.86 N ATOM 1990 CA PRO I 25 84.118 22.670 45.793 1.00 29.95 C ATOM 1991 C PRO I 25 85.442 22.551 45.015 1.00 30.32 C ATOM 1992 O PRO I 25 85.557 23.092 43.912 1.00 31.31 O ATOM 1993 CB PRO I 25 84.181 23.841 46.799 1.00 30.39 C ATOM 1994 CG PRO I 25 84.536 23.183 48.095 1.00 30.02 C ATOM 1995 CD PRO I 25 83.713 21.902 48.082 1.00 29.68 C ATOM 1996 N GLU I 26 86.398 21.807 45.564 1.00 30.95 N ATOM 1997 CA GLU I 26 87.737 21.660 44.978 1.00 31.53 C ATOM 1998 C GLU I 26 87.731 20.745 43.737 1.00 31.27 C ATOM 1999 O GLU I 26 88.753 20.627 43.046 1.00 31.94 O ATOM 2000 CB GLU I 26 88.727 21.133 46.044 1.00 31.32 C ATOM 2001 CG GLU I 26 88.563 19.655 46.407 1.00 32.65 C ATOM 2002 CD GLU I 26 87.628 19.393 47.588 1.00 33.92 C ATOM 2003 OE1 GLU I 26 86.747 20.249 47.887 1.00 33.02 O ATOM 2004 OE2 GLU I 26 87.774 18.305 48.220 1.00 35.63 O ATOM 2005 N LEU I 27 86.590 20.077 43.484 1.00 30.11 N ATOM 2006 CA LEU I 27 86.465 19.147 42.348 1.00 29.16 C ATOM 2007 C LEU I 27 85.861 19.798 41.098 1.00 29.16 C ATOM 2008 O LEU I 27 85.824 19.192 40.025 1.00 28.33 O ATOM 2009 CB LEU I 27 85.652 17.901 42.732 1.00 28.90 C ATOM 2010 CG LEU I 27 86.328 16.927 43.710 1.00 28.51 C ATOM 2011 CD1 LEU I 27 85.403 15.770 44.087 1.00 28.55 C ATOM 2012 CD2 LEU I 27 87.729 16.404 43.221 1.00 28.66 C ATOM 2013 N VAL I 28 85.397 21.034 41.214 1.00 29.50 N ATOM 2014 CA VAL I 28 84.890 21.718 40.026 1.00 30.90 C ATOM 2015 C VAL I 28 86.007 21.810 38.953 1.00 31.62 C ATOM 2016 O VAL I 28 87.139 22.216 39.253 1.00 32.84 O ATOM 2017 CB VAL I 28 84.288 23.098 40.385 1.00 30.83 C ATOM 2018 CG1 VAL I 28 83.800 23.826 39.142 1.00 31.70 C ATOM 2019 CG2 VAL I 28 83.160 22.948 41.429 1.00 28.48 C ATOM 2020 N GLY I 29 85.710 21.357 37.736 1.00 32.12 N ATOM 2021 CA GLY I 29 86.673 21.396 36.636 1.00 31.46 C ATOM 2022 C GLY I 29 87.527 20.148 36.498 1.00 32.26 C ATOM 2023 O GLY I 29 88.247 19.977 35.506 1.00 31.98 O ATOM 2024 N LYS I 30 87.448 19.263 37.488 1.00 31.34 N ATOM 2025 CA LYS I 30 88.162 18.004 37.443 1.00 32.13 C ATOM 2026 C LYS I 30 87.475 16.947 36.571 1.00 31.97 C ATOM 2027 O LYS I 30 86.261 17.023 36.309 1.00 32.87 O ATOM 2028 CB LYS I 30 88.404 17.468 38.865 1.00 32.29 C ATOM 2029 CG LYS I 30 89.290 18.392 39.765 1.00 35.05 C ATOM 2030 CD LYS I 30 90.251 19.322 38.979 1.00 36.38 C ATOM 2031 CE LYS I 30 91.631 19.417 39.659 1.00 39.02 C ATOM 2032 NZ LYS I 30 92.713 19.801 38.689 1.00 40.53 N ATOM 2033 N SER I 31 88.235 15.963 36.118 1.00 30.94 N ATOM 2034 CA SER I 31 87.635 14.827 35.419 1.00 30.83 C ATOM 2035 C SER I 31 86.776 13.935 36.334 1.00 30.25 C ATOM 2036 O SER I 31 86.815 14.048 37.574 1.00 28.98 O ATOM 2037 CB SER I 31 88.709 13.995 34.716 1.00 30.67 C ATOM 2038 OG SER I 31 89.225 12.987 35.572 1.00 31.33 O ATOM 2039 N VAL I 32 86.022 13.035 35.712 1.00 29.64 N ATOM 2040 CA VAL I 32 85.225 12.053 36.448 1.00 28.75 C ATOM 2041 C VAL I 32 86.051 11.125 37.355 1.00 29.01 C ATOM 2042 O VAL I 32 85.684 10.955 38.537 1.00 28.91 O ATOM 2043 CB VAL I 32 84.264 11.282 35.495 1.00 29.69 C ATOM 2044 CG1 VAL I 32 83.691 10.046 36.156 1.00 26.94 C ATOM 2045 CG2 VAL I 32 83.133 12.205 35.047 1.00 28.13 C ATOM 2046 N GLU I 33 87.154 10.546 36.838 1.00 27.96 N ATOM 2047 CA GLU I 33 88.026 9.677 37.641 1.00 27.35 C ATOM 2048 C GLU I 33 88.687 10.456 38.782 1.00 26.76 C ATOM 2049 O GLU I 33 88.911 9.924 39.877 1.00 26.17 O ATOM 2050 CB GLU I 33 89.097 8.987 36.775 1.00 28.70 C ATOM 2051 CG GLU I 33 88.547 7.944 35.814 1.00 29.28 C ATOM 2052 CD GLU I 33 87.577 6.953 36.459 1.00 32.96 C ATOM 2053 OE1 GLU I 33 88.003 6.155 37.318 1.00 34.67 O ATOM 2054 OE2 GLU I 33 86.376 6.943 36.088 1.00 33.26 O ATOM 2055 N GLU I 34 88.972 11.717 38.521 1.00 25.89 N ATOM 2056 CA GLU I 34 89.569 12.578 39.536 1.00 26.19 C ATOM 2057 C GLU I 34 88.596 12.841 40.663 1.00 26.05 C ATOM 2058 O GLU I 34 88.952 12.775 41.853 1.00 24.46 O ATOM 2059 CB GLU I 34 89.976 13.899 38.924 1.00 26.99 C ATOM 2060 CG GLU I 34 91.243 13.779 38.074 1.00 27.95 C ATOM 2061 CD GLU I 34 91.708 15.119 37.569 1.00 33.57 C ATOM 2062 OE1 GLU I 34 90.966 15.787 36.813 1.00 30.56 O ATOM 2063 OE2 GLU I 34 92.843 15.511 37.922 1.00 39.92 O ATOM 2064 N ALA I 35 87.364 13.139 40.258 1.00 25.06 N ATOM 2065 CA ALA I 35 86.293 13.434 41.179 1.00 26.17 C ATOM 2066 C ALA I 35 86.015 12.205 42.025 1.00 26.36 C ATOM 2067 O ALA I 35 85.920 12.320 43.257 1.00 26.59 O ATOM 2068 CB ALA I 35 85.027 13.917 40.407 1.00 25.46 C ATOM 2069 N LYS I 36 85.905 11.039 41.378 1.00 26.26 N ATOM 2070 CA LYS I 36 85.637 9.778 42.086 1.00 27.13 C ATOM 2071 C LYS I 36 86.734 9.411 43.092 1.00 27.34 C ATOM 2072 O LYS I 36 86.441 8.817 44.142 1.00 28.24 O ATOM 2073 CB LYS I 36 85.448 8.608 41.112 1.00 27.16 C ATOM 2074 CG LYS I 36 84.311 8.771 40.144 1.00 30.22 C ATOM 2075 CD LYS I 36 84.518 7.845 38.965 1.00 36.35 C ATOM 2076 CE LYS I 36 83.287 7.028 38.639 1.00 40.34 C ATOM 2077 NZ LYS I 36 83.703 5.629 38.214 1.00 41.05 N ATOM 2078 N LYS I 37 87.995 9.742 42.768 1.00 27.27 N ATOM 2079 CA LYS I 37 89.115 9.429 43.662 1.00 27.26 C ATOM 2080 C LYS I 37 88.991 10.178 44.993 1.00 26.89 C ATOM 2081 O LYS I 37 89.160 9.581 46.063 1.00 27.49 O ATOM 2082 CB LYS I 37 90.488 9.741 43.017 1.00 28.03 C ATOM 2083 CG LYS I 37 91.644 9.746 44.029 1.00 28.58 C ATOM 2084 CD LYS I 37 92.957 10.204 43.421 1.00 33.08 C ATOM 2085 CE LYS I 37 93.307 9.345 42.233 1.00 34.91 C ATOM 2086 NZ LYS I 37 94.724 9.569 41.760 1.00 35.42 N ATOM 2087 N VAL I 38 88.694 11.468 44.917 1.00 25.84 N ATOM 2088 CA VAL I 38 88.555 12.301 46.109 1.00 26.07 C ATOM 2089 C VAL I 38 87.300 11.917 46.895 1.00 25.82 C ATOM 2090 O VAL I 38 87.370 11.770 48.120 1.00 25.69 O ATOM 2091 CB VAL I 38 88.530 13.771 45.764 1.00 26.04 C ATOM 2092 CG1 VAL I 38 87.919 14.612 46.901 1.00 28.39 C ATOM 2093 CG2 VAL I 38 89.945 14.247 45.488 1.00 26.66 C ATOM 2094 N ILE I 39 86.179 11.724 46.183 1.00 25.12 N ATOM 2095 CA ILE I 39 84.919 11.347 46.841 1.00 25.58 C ATOM 2096 C ILE I 39 85.028 10.014 47.590 1.00 26.15 C ATOM 2097 O ILE I 39 84.693 9.932 48.778 1.00 27.11 O ATOM 2098 CB ILE I 39 83.722 11.418 45.835 1.00 24.23 C ATOM 2099 CG1 ILE I 39 83.492 12.889 45.449 1.00 25.75 C ATOM 2100 CG2 ILE I 39 82.438 10.788 46.432 1.00 25.92 C ATOM 2101 CD1 ILE I 39 82.732 13.111 44.106 1.00 25.28 C ATOM 2102 N LEU I 40 85.542 8.989 46.918 1.00 26.36 N ATOM 2103 CA LEU I 40 85.674 7.661 47.502 1.00 27.59 C ATOM 2104 C LEU I 40 86.672 7.558 48.677 1.00 28.16 C ATOM 2105 O LEU I 40 86.484 6.721 49.577 1.00 28.99 O ATOM 2106 CB LEU I 40 85.958 6.630 46.427 1.00 27.27 C ATOM 2107 CG LEU I 40 84.818 6.291 45.469 1.00 29.01 C ATOM 2108 CD1 LEU I 40 85.364 5.406 44.361 1.00 30.75 C ATOM 2109 CD2 LEU I 40 83.621 5.606 46.200 1.00 28.17 C ATOM 2110 N GLN I 41 87.670 8.443 48.694 1.00 28.55 N ATOM 2111 CA GLN I 41 88.555 8.621 49.854 1.00 29.67 C ATOM 2112 C GLN I 41 87.835 9.240 51.053 1.00 29.51 C ATOM 2113 O GLN I 41 88.030 8.792 52.180 1.00 29.95 O ATOM 2114 CB GLN I 41 89.730 9.529 49.502 1.00 30.41 C ATOM 2115 CG GLN I 41 90.811 8.890 48.669 1.00 33.75 C ATOM 2116 CD GLN I 41 92.031 9.818 48.509 1.00 39.10 C ATOM 2117 OE1 GLN I 41 93.125 9.498 48.990 1.00 40.04 O ATOM 2118 NE2 GLN I 41 91.834 10.972 47.853 1.00 38.93 N ATOM 2119 N ASP I 42 87.067 10.306 50.811 1.00 29.42 N ATOM 2120 CA ASP I 42 86.308 10.998 51.857 1.00 29.29 C ATOM 2121 C ASP I 42 85.065 10.199 52.301 1.00 28.77 C ATOM 2122 O ASP I 42 84.590 10.387 53.423 1.00 28.99 O ATOM 2123 CB ASP I 42 85.821 12.373 51.366 1.00 29.35 C ATOM 2124 CG ASP I 42 86.959 13.426 51.184 1.00 31.14 C ATOM 2125 OD1 ASP I 42 88.090 13.290 51.731 1.00 29.97 O ATOM 2126 OD2 ASP I 42 86.767 14.466 50.523 1.00 29.82 O ATOM 2127 N LYS I 43 84.522 9.362 51.405 1.00 27.48 N ATOM 2128 CA LYS I 43 83.189 8.759 51.568 1.00 27.58 C ATOM 2129 C LYS I 43 83.165 7.417 50.847 1.00 28.12 C ATOM 2130 O LYS I 43 82.667 7.319 49.718 1.00 27.93 O ATOM 2131 CB LYS I 43 82.121 9.711 50.957 1.00 27.24 C ATOM 2132 CG LYS I 43 80.642 9.359 51.242 1.00 25.98 C ATOM 2133 CD LYS I 43 79.693 10.388 50.577 1.00 26.60 C ATOM 2134 CE LYS I 43 78.254 9.886 50.605 1.00 28.25 C ATOM 2135 NZ LYS I 43 77.735 9.965 51.996 1.00 27.42 N ATOM 2136 N PRO I 44 83.754 6.375 51.452 1.00 29.09 N ATOM 2137 CA PRO I 44 83.967 5.118 50.721 1.00 28.38 C ATOM 2138 C PRO I 44 82.682 4.403 50.346 1.00 28.07 C ATOM 2139 O PRO I 44 82.697 3.612 49.392 1.00 28.01 O ATOM 2140 CB PRO I 44 84.862 4.277 51.659 1.00 28.81 C ATOM 2141 CG PRO I 44 84.812 4.914 52.967 1.00 28.85 C ATOM 2142 CD PRO I 44 84.305 6.338 52.827 1.00 29.71 C ATOM 2143 N ALA I 45 81.573 4.698 51.034 1.00 27.94 N ATOM 2144 CA ALA I 45 80.285 4.095 50.651 1.00 26.90 C ATOM 2145 C ALA I 45 79.554 4.853 49.525 1.00 26.53 C ATOM 2146 O ALA I 45 78.448 4.449 49.124 1.00 25.80 O ATOM 2147 CB ALA I 45 79.345 3.947 51.890 1.00 27.39 C ATOM 2148 N ALA I 46 80.143 5.938 49.018 1.00 24.22 N ATOM 2149 CA ALA I 46 79.428 6.740 48.020 1.00 23.66 C ATOM 2150 C ALA I 46 78.906 5.955 46.814 1.00 23.02 C ATOM 2151 O ALA I 46 79.611 5.118 46.226 1.00 23.10 O ATOM 2152 CB ALA I 46 80.224 7.927 47.575 1.00 24.23 C ATOM 2153 N GLN I 47 77.653 6.238 46.469 1.00 21.73 N ATOM 2154 CA GLN I 47 77.067 5.762 45.226 1.00 21.59 C ATOM 2155 C GLN I 47 77.078 6.935 44.241 1.00 20.55 C ATOM 2156 O GLN I 47 76.272 7.872 44.347 1.00 20.39 O ATOM 2157 CB GLN I 47 75.652 5.244 45.463 1.00 21.77 C ATOM 2158 CG GLN I 47 75.610 3.983 46.365 1.00 25.66 C ATOM 2159 CD AGLN I 47 76.190 2.736 45.722 0.50 27.03 C ATOM 2160 CD BGLN I 47 74.271 3.730 47.019 0.50 26.79 C ATOM 2161 OE1AGLN I 47 77.096 2.106 46.283 0.50 28.57 O ATOM 2162 OE1BGLN I 47 73.280 4.396 46.721 0.50 30.43 O ATOM 2163 NE2AGLN I 47 75.661 2.364 44.559 0.50 28.60 N ATOM 2164 NE2BGLN I 47 74.243 2.765 47.926 0.50 27.53 N ATOM 2165 N ILE I 48 78.040 6.893 43.322 1.00 20.20 N ATOM 2166 CA ILE I 48 78.343 8.007 42.429 1.00 19.96 C ATOM 2167 C ILE I 48 77.638 7.825 41.103 1.00 20.78 C ATOM 2168 O ILE I 48 77.730 6.757 40.484 1.00 20.76 O ATOM 2169 CB ILE I 48 79.866 8.109 42.193 1.00 20.17 C ATOM 2170 CG1 ILE I 48 80.568 8.388 43.530 1.00 20.94 C ATOM 2171 CG2 ILE I 48 80.161 9.243 41.185 1.00 20.30 C ATOM 2172 CD1 ILE I 48 82.094 8.754 43.389 1.00 21.31 C ATOM 2173 N ILE I 49 76.930 8.867 40.671 1.00 19.95 N ATOM 2174 CA ILE I 49 76.133 8.837 39.443 1.00 20.04 C ATOM 2175 C ILE I 49 76.598 9.995 38.587 1.00 20.10 C ATOM 2176 O ILE I 49 76.584 11.139 39.044 1.00 20.07 O ATOM 2177 CB ILE I 49 74.613 9.038 39.785 1.00 21.54 C ATOM 2178 CG1 ILE I 49 74.210 8.004 40.858 1.00 24.47 C ATOM 2179 CG2 ILE I 49 73.769 8.897 38.501 1.00 20.75 C ATOM 2180 CD1 ILE I 49 72.766 7.861 41.055 1.00 28.48 C ATOM 2181 N VAL I 50 76.978 9.713 37.347 1.00 19.41 N ATOM 2182 CA VAL I 50 77.453 10.767 36.444 1.00 18.25 C ATOM 2183 C VAL I 50 76.344 11.126 35.451 1.00 18.36 C ATOM 2184 O VAL I 50 75.769 10.224 34.785 1.00 16.42 O ATOM 2185 CB VAL I 50 78.752 10.317 35.705 1.00 19.48 C ATOM 2186 CG1 VAL I 50 79.203 11.349 34.620 1.00 18.34 C ATOM 2187 CG2 VAL I 50 79.874 10.012 36.716 1.00 20.36 C ATOM 2188 N LEU I 51 76.055 12.423 35.353 1.00 18.37 N ATOM 2189 CA LEU I 51 75.014 12.932 34.445 1.00 19.34 C ATOM 2190 C LEU I 51 75.460 14.201 33.752 1.00 19.79 C ATOM 2191 O LEU I 51 76.189 15.004 34.325 1.00 20.03 O ATOM 2192 CB LEU I 51 73.713 13.216 35.229 1.00 17.86 C ATOM 2193 CG LEU I 51 72.958 12.010 35.836 1.00 20.22 C ATOM 2194 CD1 LEU I 51 71.865 12.476 36.758 1.00 19.03 C ATOM 2195 CD2 LEU I 51 72.386 11.028 34.806 1.00 23.24 C ATOM 2196 N PRO I 52 75.011 14.403 32.521 1.00 20.94 N ATOM 2197 CA PRO I 52 75.158 15.711 31.864 1.00 21.44 C ATOM 2198 C PRO I 52 74.566 16.870 32.687 1.00 22.72 C ATOM 2199 O PRO I 52 73.472 16.765 33.237 1.00 23.21 O ATOM 2200 CB PRO I 52 74.401 15.542 30.514 1.00 21.29 C ATOM 2201 CG PRO I 52 74.248 14.055 30.291 1.00 21.69 C ATOM 2202 CD PRO I 52 74.290 13.412 31.691 1.00 21.30 C ATOM 2203 N VAL I 53 75.315 17.966 32.775 1.00 24.30 N ATOM 2204 CA VAL I 53 74.829 19.267 33.273 1.00 27.43 C ATOM 2205 C VAL I 53 73.315 19.558 33.083 1.00 27.80 C ATOM 2206 O VAL I 53 72.583 19.878 34.062 1.00 28.96 O ATOM 2207 CB VAL I 53 75.662 20.419 32.595 1.00 27.50 C ATOM 2208 CG1 VAL I 53 74.843 21.674 32.393 1.00 32.33 C ATOM 2209 CG2 VAL I 53 76.877 20.708 33.386 1.00 30.76 C ATOM 2210 N GLY I 54 72.827 19.453 31.850 1.00 27.65 N ATOM 2211 CA GLY I 54 71.431 19.806 31.588 1.00 25.93 C ATOM 2212 C GLY I 54 70.518 18.599 31.728 1.00 26.10 C ATOM 2213 O GLY I 54 69.881 18.144 30.748 1.00 27.32 O ATOM 2214 N THR I 55 70.462 18.055 32.948 1.00 23.18 N ATOM 2215 CA THR I 55 69.559 16.945 33.220 1.00 22.30 C ATOM 2216 C THR I 55 68.616 17.290 34.378 1.00 19.75 C ATOM 2217 O THR I 55 69.038 17.945 35.328 1.00 21.31 O ATOM 2218 CB THR I 55 70.379 15.674 33.582 1.00 22.17 C ATOM 2219 OG1 THR I 55 71.349 15.424 32.546 1.00 22.99 O ATOM 2220 CG2 THR I 55 69.496 14.451 33.537 1.00 22.25 C ATOM 2221 N ILE I 56 67.358 16.847 34.284 1.00 19.13 N ATOM 2222 CA ILE I 56 66.423 16.936 35.423 1.00 16.90 C ATOM 2223 C ILE I 56 66.524 15.683 36.271 1.00 16.16 C ATOM 2224 O ILE I 56 66.611 14.565 35.742 1.00 15.25 O ATOM 2225 CB ILE I 56 64.972 17.076 34.933 1.00 17.52 C ATOM 2226 CG1 ILE I 56 64.767 18.398 34.174 1.00 18.72 C ATOM 2227 CG2 ILE I 56 64.004 17.022 36.081 1.00 16.64 C ATOM 2228 CD1 ILE I 56 64.936 19.667 35.027 1.00 23.45 C ATOM 2229 N VAL I 57 66.504 15.867 37.591 1.00 14.94 N ATOM 2230 CA VAL I 57 66.650 14.715 38.490 1.00 14.26 C ATOM 2231 C VAL I 57 65.606 14.790 39.607 1.00 13.47 C ATOM 2232 O VAL I 57 65.022 15.828 39.837 1.00 13.57 O ATOM 2233 CB VAL I 57 68.082 14.652 39.101 1.00 14.31 C ATOM 2234 CG1 VAL I 57 69.114 14.384 37.969 1.00 12.35 C ATOM 2235 CG2 VAL I 57 68.426 15.935 39.881 1.00 14.29 C ATOM 2236 N THR I 58 65.393 13.689 40.310 1.00 13.67 N ATOM 2237 CA THR I 58 64.491 13.719 41.475 1.00 13.11 C ATOM 2238 C THR I 58 65.058 14.598 42.601 1.00 13.52 C ATOM 2239 O THR I 58 66.273 14.758 42.730 1.00 15.02 O ATOM 2240 CB THR I 58 64.387 12.306 42.060 1.00 13.70 C ATOM 2241 OG1 THR I 58 65.734 11.828 42.372 1.00 16.87 O ATOM 2242 CG2 THR I 58 63.832 11.308 41.048 1.00 12.27 C ATOM 2243 N ARG I 59 64.179 15.062 43.481 1.00 12.83 N ATOM 2244 CA ARG I 59 64.608 15.815 44.674 1.00 13.05 C ATOM 2245 C ARG I 59 64.479 14.962 45.944 1.00 14.02 C ATOM 2246 O ARG I 59 64.156 15.472 47.008 1.00 12.42 O ATOM 2247 CB ARG I 59 63.868 17.169 44.811 1.00 14.67 C ATOM 2248 CG ARG I 59 64.151 18.148 43.650 1.00 16.31 C ATOM 2249 CD ARG I 59 65.611 18.325 43.360 1.00 19.00 C ATOM 2250 NE ARG I 59 65.934 19.555 42.626 1.00 17.84 N ATOM 2251 CZ ARG I 59 67.101 19.722 41.982 1.00 18.82 C ATOM 2252 NH1 ARG I 59 68.004 18.723 41.939 1.00 17.23 N ATOM 2253 NH2 ARG I 59 67.363 20.869 41.351 1.00 14.60 N ATOM 2254 N SER I 60 64.705 13.647 45.841 1.00 13.65 N ATOM 2255 CA SER I 60 64.931 12.891 47.083 1.00 13.96 C ATOM 2256 C SER I 60 66.326 13.277 47.596 1.00 15.03 C ATOM 2257 O SER I 60 67.243 13.649 46.811 1.00 14.72 O ATOM 2258 CB SER I 60 64.864 11.384 46.790 1.00 14.74 C ATOM 2259 OG SER I 60 65.706 11.101 45.690 1.00 17.17 O ATOM 2260 N TYR I 61 66.537 13.154 48.907 1.00 15.37 N ATOM 2261 CA TYR I 61 67.865 13.354 49.492 1.00 15.15 C ATOM 2262 C TYR I 61 68.378 12.023 50.042 1.00 16.69 C ATOM 2263 O TYR I 61 67.822 11.484 51.049 1.00 14.40 O ATOM 2264 CB TYR I 61 67.777 14.315 50.675 1.00 14.89 C ATOM 2265 CG TYR I 61 69.103 14.586 51.297 1.00 15.13 C ATOM 2266 CD1 TYR I 61 70.018 15.431 50.659 1.00 19.58 C ATOM 2267 CD2 TYR I 61 69.435 14.038 52.547 1.00 20.56 C ATOM 2268 CE1 TYR I 61 71.251 15.717 51.244 1.00 19.02 C ATOM 2269 CE2 TYR I 61 70.677 14.311 53.136 1.00 20.27 C ATOM 2270 CZ TYR I 61 71.563 15.154 52.475 1.00 21.88 C ATOM 2271 OH TYR I 61 72.796 15.461 53.037 1.00 24.91 O ATOM 2272 N ARG I 62 69.378 11.467 49.373 1.00 16.90 N ATOM 2273 CA ARG I 62 69.816 10.094 49.674 1.00 18.82 C ATOM 2274 C ARG I 62 71.241 10.237 50.178 1.00 19.80 C ATOM 2275 O ARG I 62 72.108 10.698 49.436 1.00 18.21 O ATOM 2276 CB ARG I 62 69.704 9.174 48.440 1.00 20.71 C ATOM 2277 CG ARG I 62 68.210 8.826 48.027 1.00 25.28 C ATOM 2278 CD ARG I 62 67.520 7.714 48.887 1.00 32.12 C ATOM 2279 NE ARG I 62 66.830 6.718 48.052 1.00 41.10 N ATOM 2280 CZ ARG I 62 66.867 5.396 48.247 1.00 43.16 C ATOM 2281 NH1 ARG I 62 67.566 4.876 49.254 1.00 43.29 N ATOM 2282 NH2 ARG I 62 66.200 4.584 47.430 1.00 46.83 N ATOM 2283 N ILE I 63 71.453 9.915 51.458 1.00 20.54 N ATOM 2284 CA ILE I 63 72.688 10.241 52.175 1.00 21.86 C ATOM 2285 C ILE I 63 73.933 9.617 51.524 1.00 21.49 C ATOM 2286 O ILE I 63 75.026 10.163 51.643 1.00 21.41 O ATOM 2287 CB ILE I 63 72.556 9.779 53.689 1.00 22.80 C ATOM 2288 CG1 ILE I 63 73.565 10.487 54.589 1.00 24.04 C ATOM 2289 CG2 ILE I 63 72.720 8.291 53.847 1.00 24.31 C ATOM 2290 CD1 ILE I 63 73.287 11.934 54.794 1.00 23.11 C ATOM 2291 N ASP I 64 73.765 8.454 50.893 1.00 22.49 N ATOM 2292 CA ASP I 64 74.896 7.738 50.257 1.00 24.36 C ATOM 2293 C ASP I 64 75.216 8.141 48.812 1.00 22.62 C ATOM 2294 O ASP I 64 76.230 7.715 48.256 1.00 24.40 O ATOM 2295 CB ASP I 64 74.666 6.214 50.307 1.00 26.20 C ATOM 2296 CG ASP I 64 73.216 5.809 49.947 1.00 32.84 C ATOM 2297 OD1 ASP I 64 73.016 4.586 49.713 1.00 39.49 O ATOM 2298 OD2 ASP I 64 72.202 6.598 49.921 1.00 36.44 O ATOM 2299 N ARG I 65 74.360 8.959 48.196 1.00 20.38 N ATOM 2300 CA ARG I 65 74.446 9.257 46.761 1.00 17.56 C ATOM 2301 C ARG I 65 75.256 10.527 46.542 1.00 17.20 C ATOM 2302 O ARG I 65 75.144 11.495 47.304 1.00 15.87 O ATOM 2303 CB ARG I 65 73.039 9.430 46.188 1.00 17.68 C ATOM 2304 CG ARG I 65 72.983 9.670 44.671 1.00 16.28 C ATOM 2305 CD ARG I 65 71.582 9.686 44.111 1.00 15.78 C ATOM 2306 NE ARG I 65 70.683 10.677 44.747 1.00 17.93 N ATOM 2307 CZ ARG I 65 69.344 10.574 44.706 1.00 14.91 C ATOM 2308 NH1 ARG I 65 68.785 9.534 44.071 1.00 15.04 N ATOM 2309 NH2 ARG I 65 68.574 11.501 45.256 1.00 13.10 N ATOM 2310 N VAL I 66 76.161 10.491 45.556 1.00 16.62 N ATOM 2311 CA VAL I 66 76.761 11.718 45.027 1.00 15.31 C ATOM 2312 C VAL I 66 76.570 11.785 43.499 1.00 16.50 C ATOM 2313 O VAL I 66 77.133 10.962 42.725 1.00 18.07 O ATOM 2314 CB VAL I 66 78.297 11.870 45.367 1.00 14.96 C ATOM 2315 CG1 VAL I 66 78.771 13.284 44.965 1.00 13.50 C ATOM 2316 CG2 VAL I 66 78.546 11.680 46.850 1.00 15.96 C ATOM 2317 N ARG I 67 75.767 12.747 43.064 1.00 16.47 N ATOM 2318 CA ARG I 67 75.594 13.023 41.648 1.00 17.27 C ATOM 2319 C ARG I 67 76.725 13.877 41.142 1.00 16.55 C ATOM 2320 O ARG I 67 77.057 14.917 41.749 1.00 17.67 O ATOM 2321 CB ARG I 67 74.276 13.731 41.382 1.00 16.57 C ATOM 2322 CG ARG I 67 73.114 12.798 41.640 1.00 16.90 C ATOM 2323 CD ARG I 67 71.771 13.548 41.746 1.00 20.75 C ATOM 2324 NE ARG I 67 70.669 12.600 41.607 1.00 20.59 N ATOM 2325 CZ ARG I 67 69.418 12.867 41.971 1.00 20.41 C ATOM 2326 NH1 ARG I 67 69.125 14.048 42.495 1.00 18.68 N ATOM 2327 NH2 ARG I 67 68.474 11.946 41.786 1.00 15.92 N ATOM 2328 N LEU I 68 77.290 13.467 40.008 1.00 15.90 N ATOM 2329 CA LEU I 68 78.355 14.256 39.357 1.00 16.88 C ATOM 2330 C LEU I 68 77.827 14.851 38.070 1.00 17.12 C ATOM 2331 O LEU I 68 77.456 14.107 37.176 1.00 16.43 O ATOM 2332 CB LEU I 68 79.628 13.385 39.097 1.00 16.76 C ATOM 2333 CG LEU I 68 80.378 12.961 40.356 1.00 17.94 C ATOM 2334 CD1 LEU I 68 81.627 12.204 39.947 1.00 20.38 C ATOM 2335 CD2 LEU I 68 80.750 14.210 41.166 1.00 18.70 C ATOM 2336 N PHE I 69 77.736 16.182 37.983 1.00 17.75 N ATOM 2337 CA PHE I 69 77.202 16.797 36.748 1.00 19.05 C ATOM 2338 C PHE I 69 78.327 17.335 35.872 1.00 19.47 C ATOM 2339 O PHE I 69 79.157 18.125 36.334 1.00 20.51 O ATOM 2340 CB PHE I 69 76.178 17.904 37.040 1.00 18.59 C ATOM 2341 CG PHE I 69 74.943 17.407 37.746 1.00 19.93 C ATOM 2342 CD1 PHE I 69 73.947 16.772 37.025 1.00 21.38 C ATOM 2343 CD2 PHE I 69 74.812 17.545 39.127 1.00 20.42 C ATOM 2344 CE1 PHE I 69 72.806 16.276 37.665 1.00 24.33 C ATOM 2345 CE2 PHE I 69 73.642 17.060 39.807 1.00 20.86 C ATOM 2346 CZ PHE I 69 72.652 16.431 39.060 1.00 22.91 C ATOM 2347 N VAL I 70 78.353 16.893 34.615 1.00 20.22 N ATOM 2348 CA VAL I 70 79.530 17.118 33.777 1.00 20.71 C ATOM 2349 C VAL I 70 79.245 18.026 32.573 1.00 21.89 C ATOM 2350 O VAL I 70 78.141 17.987 31.957 1.00 21.13 O ATOM 2351 CB VAL I 70 80.205 15.765 33.326 1.00 21.04 C ATOM 2352 CG1 VAL I 70 80.717 14.944 34.552 1.00 21.89 C ATOM 2353 CG2 VAL I 70 79.263 14.970 32.461 1.00 18.42 C ATOM 2354 N ASP I 71 80.238 18.852 32.245 1.00 23.01 N ATOM 2355 CA ASP I 71 80.168 19.644 31.005 1.00 24.16 C ATOM 2356 C ASP I 71 80.485 18.851 29.740 1.00 24.03 C ATOM 2357 O ASP I 71 80.690 17.625 29.767 1.00 23.14 O ATOM 2358 CB ASP I 71 81.025 20.920 31.106 1.00 24.29 C ATOM 2359 CG ASP I 71 82.518 20.626 31.292 1.00 26.68 C ATOM 2360 OD1 ASP I 71 83.020 19.561 30.814 1.00 23.08 O ATOM 2361 OD2 ASP I 71 83.278 21.422 31.907 1.00 30.61 O ATOM 2362 N ARG I 72 80.507 19.578 28.617 1.00 24.66 N ATOM 2363 CA ARG I 72 80.791 19.017 27.296 1.00 25.44 C ATOM 2364 C ARG I 72 82.141 18.297 27.216 1.00 26.11 C ATOM 2365 O ARG I 72 82.351 17.466 26.324 1.00 26.78 O ATOM 2366 CB ARG I 72 80.744 20.137 26.238 1.00 25.20 C ATOM 2367 N LEU I 73 83.049 18.610 28.142 1.00 25.63 N ATOM 2368 CA LEU I 73 84.393 18.041 28.128 1.00 25.28 C ATOM 2369 C LEU I 73 84.496 16.889 29.109 1.00 24.77 C ATOM 2370 O LEU I 73 85.592 16.333 29.344 1.00 22.34 O ATOM 2371 CB LEU I 73 85.435 19.125 28.457 1.00 25.68 C ATOM 2372 CG LEU I 73 85.709 20.165 27.376 1.00 26.92 C ATOM 2373 CD1 LEU I 73 86.815 21.126 27.841 1.00 28.30 C ATOM 2374 CD2 LEU I 73 86.115 19.488 26.055 1.00 28.07 C ATOM 2375 N ASP I 74 83.341 16.543 29.696 1.00 23.89 N ATOM 2376 CA ASP I 74 83.243 15.476 30.702 1.00 25.30 C ATOM 2377 C ASP I 74 83.884 15.915 32.034 1.00 24.30 C ATOM 2378 O ASP I 74 84.275 15.081 32.850 1.00 24.82 O ATOM 2379 CB ASP I 74 83.825 14.140 30.176 1.00 25.21 C ATOM 2380 CG ASP I 74 83.164 12.897 30.799 1.00 30.72 C ATOM 2381 OD1 ASP I 74 81.938 12.905 31.111 1.00 35.28 O ATOM 2382 OD2 ASP I 74 83.795 11.824 30.988 1.00 34.36 O ATOM 2383 N ASN I 75 83.986 17.223 32.264 1.00 24.28 N ATOM 2384 CA ASN I 75 84.501 17.683 33.558 1.00 24.63 C ATOM 2385 C ASN I 75 83.386 18.169 34.508 1.00 23.70 C ATOM 2386 O ASN I 75 82.316 18.531 34.051 1.00 23.09 O ATOM 2387 CB ASN I 75 85.586 18.764 33.389 1.00 25.26 C ATOM 2388 CG ASN I 75 86.840 18.256 32.644 1.00 26.28 C ATOM 2389 OD1 ASN I 75 87.389 18.986 31.811 1.00 35.73 O ATOM 2390 ND2 ASN I 75 87.261 17.009 32.898 1.00 26.29 N ATOM 2391 N ILE I 76 83.652 18.149 35.813 1.00 23.24 N ATOM 2392 CA ILE I 76 82.665 18.529 36.836 1.00 23.69 C ATOM 2393 C ILE I 76 82.278 19.984 36.641 1.00 24.59 C ATOM 2394 O ILE I 76 83.155 20.878 36.603 1.00 26.31 O ATOM 2395 CB ILE I 76 83.219 18.297 38.282 1.00 23.65 C ATOM 2396 CG1 ILE I 76 83.556 16.837 38.544 1.00 23.68 C ATOM 2397 CG2 ILE I 76 82.250 18.833 39.349 1.00 23.35 C ATOM 2398 CD1 ILE I 76 82.380 15.871 38.460 1.00 24.12 C ATOM 2399 N ALA I 77 80.977 20.247 36.516 1.00 25.22 N ATOM 2400 CA ALA I 77 80.529 21.589 36.158 1.00 26.16 C ATOM 2401 C ALA I 77 79.925 22.302 37.344 1.00 27.23 C ATOM 2402 O ALA I 77 79.916 23.542 37.369 1.00 28.95 O ATOM 2403 CB ALA I 77 79.535 21.535 35.026 1.00 26.12 C ATOM 2404 N GLN I 78 79.415 21.528 38.308 1.00 26.63 N ATOM 2405 CA GLN I 78 78.718 22.046 39.497 1.00 27.24 C ATOM 2406 C GLN I 78 79.415 21.448 40.736 1.00 25.47 C ATOM 2407 O GLN I 78 79.949 20.345 40.656 1.00 24.71 O ATOM 2408 CB GLN I 78 77.246 21.597 39.488 1.00 27.52 C ATOM 2409 CG GLN I 78 76.406 22.049 38.260 1.00 31.97 C ATOM 2410 CD GLN I 78 75.644 23.355 38.483 1.00 37.24 C ATOM 2411 OE1 GLN I 78 75.447 24.147 37.537 1.00 38.42 O ATOM 2412 NE2 GLN I 78 75.210 23.587 39.722 1.00 38.10 N ATOM 2413 N VAL I 79 79.413 22.155 41.876 1.00 24.37 N ATOM 2414 CA VAL I 79 79.986 21.585 43.123 1.00 23.29 C ATOM 2415 C VAL I 79 79.265 20.259 43.451 1.00 22.69 C ATOM 2416 O VAL I 79 78.029 20.260 43.648 1.00 22.28 O ATOM 2417 CB VAL I 79 79.897 22.590 44.340 1.00 23.55 C ATOM 2418 CG1 VAL I 79 80.389 21.964 45.671 1.00 21.91 C ATOM 2419 CG2 VAL I 79 80.704 23.857 44.053 1.00 25.20 C ATOM 2420 N PRO I 80 80.004 19.132 43.469 1.00 21.99 N ATOM 2421 CA PRO I 80 79.407 17.856 43.886 1.00 21.58 C ATOM 2422 C PRO I 80 78.961 17.930 45.350 1.00 21.50 C ATOM 2423 O PRO I 80 79.712 18.441 46.216 1.00 20.95 O ATOM 2424 CB PRO I 80 80.568 16.849 43.749 1.00 21.28 C ATOM 2425 CG PRO I 80 81.503 17.458 42.717 1.00 20.57 C ATOM 2426 CD PRO I 80 81.411 18.951 43.045 1.00 22.44 C ATOM 2427 N ARG I 81 77.761 17.426 45.638 1.00 20.69 N ATOM 2428 CA ARG I 81 77.347 17.278 47.034 1.00 20.69 C ATOM 2429 C ARG I 81 76.569 16.005 47.207 1.00 19.78 C ATOM 2430 O ARG I 81 76.058 15.418 46.244 1.00 18.78 O ATOM 2431 CB ARG I 81 76.458 18.419 47.534 1.00 22.94 C ATOM 2432 CG ARG I 81 76.375 19.603 46.676 1.00 25.98 C ATOM 2433 CD ARG I 81 75.147 20.444 47.007 1.00 31.77 C ATOM 2434 NE ARG I 81 75.344 21.848 46.696 1.00 36.48 N ATOM 2435 CZ ARG I 81 75.492 22.349 45.460 1.00 40.73 C ATOM 2436 NH1 ARG I 81 75.507 21.570 44.382 1.00 39.23 N ATOM 2437 NH2 ARG I 81 75.637 23.658 45.305 1.00 44.66 N ATOM 2438 N VAL I 82 76.480 15.603 48.468 1.00 18.70 N ATOM 2439 CA VAL I 82 75.724 14.457 48.886 1.00 19.14 C ATOM 2440 C VAL I 82 74.253 14.743 48.678 1.00 17.02 C ATOM 2441 O VAL I 82 73.798 15.882 48.846 1.00 16.82 O ATOM 2442 CB VAL I 82 76.059 14.143 50.360 1.00 19.48 C ATOM 2443 CG1 VAL I 82 75.094 13.138 50.982 1.00 21.20 C ATOM 2444 CG2 VAL I 82 77.527 13.630 50.437 1.00 19.84 C ATOM 2445 N GLY I 83 73.558 13.711 48.231 1.00 17.62 N ATOM 2446 CA GLY I 83 72.090 13.725 48.222 1.00 16.82 C ATOM 2447 C GLY I 83 71.471 13.044 47.027 1.00 17.18 C ATOM 2448 O GLY I 83 70.250 12.850 47.058 1.00 17.24 O ATOM 2449 OXT GLY I 83 72.137 12.719 46.022 1.00 16.88 O TER 2450 GLY I 83 HETATM 2451 CA CA E1001 45.552 3.507 53.343 1.00 20.34 CA HETATM 2452 NA NA E1002 73.802 37.020 53.527 1.00 23.46 NA HETATM 2453 C1 CIT E2001 63.063 -2.079 54.451 1.00 37.60 C HETATM 2454 O1 CIT E2001 62.548 -3.099 54.946 1.00 41.77 O HETATM 2455 O2 CIT E2001 63.907 -1.464 55.118 1.00 38.05 O HETATM 2456 C2 CIT E2001 62.685 -1.614 53.066 1.00 35.92 C HETATM 2457 C3 CIT E2001 61.230 -1.119 53.015 1.00 33.99 C HETATM 2458 O7 CIT E2001 61.012 -0.048 54.006 1.00 32.07 O HETATM 2459 C4 CIT E2001 60.914 -0.616 51.603 1.00 33.52 C HETATM 2460 C5 CIT E2001 61.921 0.443 51.247 1.00 33.36 C HETATM 2461 O3 CIT E2001 62.089 1.407 52.043 1.00 29.54 O HETATM 2462 O4 CIT E2001 62.581 0.334 50.181 1.00 34.42 O HETATM 2463 C6 CIT E2001 60.267 -2.291 53.229 1.00 35.45 C HETATM 2464 O5 CIT E2001 59.364 -2.245 54.105 1.00 35.47 O HETATM 2465 O6 CIT E2001 60.362 -3.329 52.515 1.00 34.11 O HETATM 2466 O1 15P E5001 75.303 39.559 53.235 1.00 38.12 O HETATM 2467 C3 15P E5001 75.750 39.693 54.584 1.00 37.24 C HETATM 2468 C4 15P E5001 76.704 38.543 54.914 1.00 35.05 C HETATM 2469 O2 15P E5001 76.094 37.296 54.623 1.00 30.24 O HETATM 2470 C5 15P E5001 76.240 36.328 55.688 1.00 29.80 C HETATM 2471 C6 15P E5001 75.891 34.931 55.180 1.00 30.80 C HETATM 2472 O3 15P E5001 74.492 34.991 54.849 1.00 25.16 O HETATM 2473 C7 15P E5001 73.892 33.801 54.381 1.00 26.83 C HETATM 2474 C8 15P E5001 72.411 34.216 54.354 1.00 21.05 C HETATM 2475 O4 15P E5001 72.223 35.066 53.246 1.00 21.08 O HETATM 2476 C9 15P E5001 70.867 35.512 53.154 1.00 23.96 C HETATM 2477 C10 15P E5001 70.637 36.303 51.869 1.00 27.93 C HETATM 2478 O5 15P E5001 71.453 37.473 51.929 1.00 34.69 O HETATM 2479 C11 15P E5001 71.005 38.548 51.107 1.00 36.09 C HETATM 2480 C12 15P E5001 72.001 39.692 51.301 1.00 38.33 C HETATM 2481 O6 15P E5001 73.030 39.222 52.186 1.00 39.32 O HETATM 2482 OXT 15P E5002 43.958 32.929 35.488 1.00 35.03 O HETATM 2483 C1 15P E5002 44.125 31.523 35.349 1.00 32.33 C HETATM 2484 C2 15P E5002 42.966 30.927 34.552 1.00 29.60 C HETATM 2485 O1 15P E5002 41.720 31.208 35.216 1.00 32.12 O HETATM 2486 C3 15P E5002 40.557 30.718 34.514 1.00 31.19 C HETATM 2487 C4 15P E5002 39.240 30.924 35.277 1.00 32.97 C HETATM 2488 O2 15P E5002 39.116 32.286 35.697 1.00 33.84 O HETATM 2489 C5 15P E5002 37.805 32.631 36.158 1.00 33.69 C HETATM 2490 O HOH E5003 37.955 4.039 55.946 1.00 46.90 O HETATM 2491 O HOH E5004 73.065 30.718 54.022 1.00 35.41 O HETATM 2492 O HOH E5005 55.837 21.600 65.830 0.50 18.13 O HETATM 2493 O HOH E5006 56.921 22.286 66.871 0.50 22.68 O HETATM 2494 O HOH E5007 37.176 5.548 38.429 1.00 38.47 O HETATM 2495 O HOH E5008 39.435 33.293 48.000 1.00 40.12 O HETATM 2496 O HOH E5009 72.744 38.083 55.379 1.00 20.09 O HETATM 2497 O HOH E5010 49.589 20.447 63.056 1.00 43.86 O HETATM 2498 O HOH E5011 42.484 2.914 62.469 1.00 41.60 O HETATM 2499 O HOH E5012 58.274 30.076 44.715 1.00 12.32 O HETATM 2500 O HOH E5013 41.697 31.488 53.270 1.00 38.97 O HETATM 2501 O HOH E5014 42.207 33.101 48.462 1.00 37.46 O HETATM 2502 O HOH E5015 43.099 -2.124 48.285 1.00 41.56 O HETATM 2503 O HOH E5016 44.648 35.930 45.542 1.00 25.33 O HETATM 2504 O HOH E5017 46.701 -4.464 44.507 1.00 34.40 O HETATM 2505 O HOH E5018 45.804 -2.694 43.327 1.00 36.02 O HETATM 2506 O HOH E5019 55.019 12.267 57.196 1.00 10.90 O HETATM 2507 O HOH E5020 48.673 27.494 54.624 1.00 9.90 O HETATM 2508 O HOH E5021 58.691 29.822 42.334 1.00 5.13 O HETATM 2509 O HOH E5022 56.232 9.871 58.068 1.00 9.91 O HETATM 2510 O HOH E5023 48.710 28.398 60.449 1.00 15.30 O HETATM 2511 O HOH E5024 53.264 10.506 53.090 1.00 8.73 O HETATM 2512 O HOH E5025 53.288 12.560 55.126 1.00 10.15 O HETATM 2513 O HOH E5026 50.823 9.366 52.647 1.00 10.14 O HETATM 2514 O HOH E5027 45.180 7.034 45.322 1.00 14.86 O HETATM 2515 O HOH E5028 55.010 9.284 60.462 1.00 13.60 O HETATM 2516 O HOH E5029 55.763 -0.280 39.302 1.00 19.98 O HETATM 2517 O HOH E5030 65.179 25.787 53.143 1.00 10.25 O HETATM 2518 O HOH E5031 38.734 11.805 42.460 1.00 13.59 O HETATM 2519 O HOH E5032 40.459 7.211 49.731 1.00 14.01 O HETATM 2520 O HOH E5033 51.526 27.749 40.781 1.00 12.73 O HETATM 2521 O HOH E5034 62.217 22.337 41.104 1.00 11.64 O HETATM 2522 O HOH E5035 59.899 31.816 42.464 1.00 13.93 O HETATM 2523 O HOH E5036 54.658 9.935 37.730 1.00 13.40 O HETATM 2524 O HOH E5037 63.581 27.312 63.012 1.00 14.46 O HETATM 2525 O HOH E5038 42.686 8.564 45.237 1.00 13.09 O HETATM 2526 O HOH E5039 61.222 26.267 63.186 1.00 16.52 O HETATM 2527 O HOH E5040 50.715 24.698 61.979 1.00 14.74 O HETATM 2528 O HOH E5041 49.900 23.406 59.826 1.00 12.14 O HETATM 2529 O HOH E5042 61.284 33.485 50.516 1.00 13.52 O HETATM 2530 O HOH E5043 58.402 31.648 57.940 1.00 12.33 O HETATM 2531 O HOH E5044 57.582 32.389 35.938 1.00 16.47 O HETATM 2532 O HOH E5045 72.804 30.254 50.328 1.00 15.60 O HETATM 2533 O HOH E5046 49.913 31.060 28.347 1.00 24.22 O HETATM 2534 O HOH E5047 58.901 12.922 25.150 1.00 21.40 O HETATM 2535 O HOH E5048 65.654 16.297 62.541 1.00 18.67 O HETATM 2536 O HOH E5049 44.368 25.469 62.199 1.00 27.46 O HETATM 2537 O HOH E5050 42.844 8.554 41.789 1.00 15.80 O HETATM 2538 O HOH E5051 48.937 28.601 41.500 1.00 17.16 O HETATM 2539 O HOH E5052 36.175 15.539 48.785 1.00 16.77 O HETATM 2540 O HOH E5053 41.405 26.411 40.003 1.00 23.21 O HETATM 2541 O HOH E5054 66.772 28.333 26.948 1.00 24.49 O HETATM 2542 O HOH E5055 44.694 23.548 31.533 1.00 22.12 O HETATM 2543 O HOH E5056 64.028 6.717 27.396 1.00 25.01 O HETATM 2544 O HOH E5057 59.952 -1.171 46.089 1.00 25.84 O HETATM 2545 O HOH E5058 72.753 19.910 50.287 1.00 19.80 O HETATM 2546 O HOH E5059 41.976 18.306 25.508 1.00 38.51 O HETATM 2547 O HOH E5060 57.759 25.358 26.077 1.00 16.83 O HETATM 2548 O HOH E5061 60.891 0.203 41.231 0.50 18.44 O HETATM 2549 O HOH E5062 52.552 -2.669 44.475 1.00 18.97 O HETATM 2550 O HOH E5063 43.438 24.642 39.536 1.00 15.37 O HETATM 2551 O HOH E5064 35.060 9.641 35.777 1.00 27.10 O HETATM 2552 O HOH E5065 44.050 18.304 61.606 1.00 21.50 O HETATM 2553 O HOH E5066 42.103 29.305 37.729 1.00 26.67 O HETATM 2554 O HOH E5067 47.927 7.010 62.689 0.50 9.23 O HETATM 2555 O HOH E5068 49.478 21.510 26.142 1.00 24.10 O HETATM 2556 O HOH E5069 46.037 -0.141 43.048 1.00 19.45 O HETATM 2557 O HOH E5070 47.895 29.549 28.838 1.00 16.25 O HETATM 2558 O HOH E5071 49.628 -2.809 51.852 1.00 20.59 O HETATM 2559 O HOH E5072 68.816 25.934 59.184 1.00 24.65 O HETATM 2560 O HOH E5073 64.127 9.215 57.194 1.00 14.61 O HETATM 2561 O HOH E5074 53.011 23.681 63.309 1.00 16.83 O HETATM 2562 O HOH E5075 58.174 36.159 52.940 1.00 26.33 O HETATM 2563 O HOH E5076 38.818 24.579 56.759 1.00 26.92 O HETATM 2564 O HOH E5077 65.195 6.790 29.906 1.00 26.57 O HETATM 2565 O HOH E5078 40.025 23.371 35.233 1.00 27.80 O HETATM 2566 O HOH E5079 38.858 9.051 50.585 1.00 24.24 O HETATM 2567 O HOH E5080 61.536 23.625 66.459 0.50 12.08 O HETATM 2568 O HOH E5081 39.765 25.591 38.465 1.00 21.50 O HETATM 2569 O HOH E5082 58.488 34.185 51.437 1.00 23.47 O HETATM 2570 O HOH E5083 64.444 36.129 51.372 1.00 28.06 O HETATM 2571 O HOH E5084 53.527 25.256 65.559 1.00 24.04 O HETATM 2572 O HOH E5085 60.123 28.500 64.121 1.00 21.40 O HETATM 2573 O HOH E5086 71.761 7.835 36.232 1.00 32.43 O HETATM 2574 O HOH E5087 49.946 11.463 62.306 1.00 17.85 O HETATM 2575 O HOH E5088 46.125 17.356 62.366 1.00 31.34 O HETATM 2576 O HOH E5089 58.428 6.045 22.356 1.00 27.08 O HETATM 2577 O HOH E5090 41.437 35.005 40.962 1.00 28.20 O HETATM 2578 O HOH E5091 60.032 37.888 55.967 1.00 21.10 O HETATM 2579 O HOH E5092 56.406 25.669 65.072 1.00 25.26 O HETATM 2580 O HOH E5093 51.876 32.252 62.026 1.00 21.77 O HETATM 2581 O HOH E5094 66.255 8.541 31.947 1.00 20.62 O HETATM 2582 O HOH E5095 57.125 32.373 45.377 1.00 26.36 O HETATM 2583 O HOH E5096 42.561 -3.303 50.748 1.00 41.37 O HETATM 2584 O HOH E5097 41.043 27.527 32.315 1.00 22.41 O HETATM 2585 O HOH E5098 68.025 23.222 62.953 1.00 23.91 O HETATM 2586 O HOH E5099 40.919 23.907 39.324 0.50 13.99 O HETATM 2587 O HOH E5100 68.947 17.263 44.471 1.00 16.95 O HETATM 2588 O HOH E5101 64.706 6.942 44.007 1.00 26.32 O HETATM 2589 O HOH E5102 41.761 11.688 58.311 1.00 21.80 O HETATM 2590 O HOH E5103 66.752 5.358 33.119 1.00 24.26 O HETATM 2591 O HOH E5104 67.662 34.996 43.564 1.00 21.53 O HETATM 2592 O HOH E5105 40.588 24.236 33.131 1.00 20.84 O HETATM 2593 O HOH E5106 55.129 25.546 26.457 1.00 26.46 O HETATM 2594 O HOH E5107 58.322 27.316 24.213 1.00 25.14 O HETATM 2595 O HOH E5108 49.834 34.683 46.042 1.00 28.01 O HETATM 2596 O HOH E5109 60.410 31.455 28.132 1.00 20.38 O HETATM 2597 O HOH E5110 54.485 33.802 46.050 1.00 23.44 O HETATM 2598 O HOH E5111 59.353 19.290 24.596 1.00 24.30 O HETATM 2599 O HOH E5112 34.105 27.631 45.158 1.00 30.89 O HETATM 2600 O HOH E5113 50.801 -4.727 44.414 1.00 37.73 O HETATM 2601 O HOH E5114 41.005 9.739 33.550 1.00 30.28 O HETATM 2602 O HOH E5115 43.748 6.077 59.877 1.00 28.06 O HETATM 2603 O HOH E5116 34.441 17.399 47.768 1.00 39.15 O HETATM 2604 O HOH E5117 64.947 29.868 32.357 1.00 25.41 O HETATM 2605 O HOH E5118 57.621 1.611 31.061 0.50 8.84 O HETATM 2606 O HOH E5119 49.218 24.877 64.191 1.00 26.10 O HETATM 2607 O HOH E5120 56.812 7.324 25.929 1.00 25.98 O HETATM 2608 O HOH E5121 45.141 2.122 40.198 1.00 22.74 O HETATM 2609 O HOH E5122 42.640 1.013 43.974 1.00 31.43 O HETATM 2610 O HOH E5123 39.967 12.984 59.920 1.00 24.59 O HETATM 2611 O HOH E5124 77.935 31.583 54.907 1.00 29.76 O HETATM 2612 O HOH E5125 38.110 18.492 32.147 1.00 39.21 O HETATM 2613 O HOH E5126 43.127 1.174 60.483 1.00 31.89 O HETATM 2614 O HOH E5127 58.883 0.454 31.648 0.50 14.84 O HETATM 2615 O HOH E5128 43.420 22.723 34.078 0.50 14.25 O HETATM 2616 O HOH E5129 62.443 32.893 28.954 1.00 30.76 O HETATM 2617 O HOH E5130 51.732 32.626 33.689 1.00 23.81 O HETATM 2618 O HOH E5131 37.144 19.535 61.273 1.00 42.77 O HETATM 2619 O HOH E5132 44.674 35.774 51.602 1.00 40.48 O HETATM 2620 O HOH E5133 36.339 35.690 45.440 1.00 47.18 O HETATM 2621 O HOH E5134 50.628 33.356 58.084 1.00 28.24 O HETATM 2622 O HOH E5135 58.078 32.277 63.926 1.00 25.55 O HETATM 2623 O HOH E5136 64.634 23.129 27.196 1.00 26.93 O HETATM 2624 O HOH E5137 53.383 2.129 56.997 0.50 18.31 O HETATM 2625 O HOH E5138 72.121 24.211 56.384 1.00 25.62 O HETATM 2626 O HOH E5139 66.763 36.838 50.533 1.00 31.53 O HETATM 2627 O HOH E5140 65.284 37.222 54.824 1.00 28.89 O HETATM 2628 O HOH E5141 59.214 -0.086 55.342 0.50 9.62 O HETATM 2629 O HOH E5142 74.120 26.339 56.532 1.00 35.83 O HETATM 2630 O HOH E5143 40.038 20.667 35.794 1.00 25.13 O HETATM 2631 O HOH E5144 46.925 22.677 25.625 1.00 30.11 O HETATM 2632 O HOH E5145 59.952 16.573 66.656 1.00 24.50 O HETATM 2633 O HOH E5146 68.416 23.821 59.853 1.00 31.36 O HETATM 2634 O HOH E5147 52.248 8.190 62.172 1.00 26.34 O HETATM 2635 O HOH E5148 57.678 0.358 56.281 0.50 17.18 O HETATM 2636 O HOH E5149 52.109 34.334 55.211 1.00 27.35 O HETATM 2637 O HOH E5150 53.888 -2.378 30.233 1.00 36.15 O HETATM 2638 O HOH E5151 73.426 23.427 53.849 1.00 28.79 O HETATM 2639 O HOH E5152 40.120 7.263 44.692 1.00 32.91 O HETATM 2640 O HOH E5153 38.642 18.494 38.243 1.00 29.47 O HETATM 2641 O HOH E5154 68.232 2.473 34.211 1.00 42.38 O HETATM 2642 O HOH E5155 48.055 34.105 44.278 1.00 31.99 O HETATM 2643 O HOH E5156 67.104 7.427 41.494 1.00 27.67 O HETATM 2644 O HOH E5157 41.578 26.030 36.615 1.00 45.78 O HETATM 2645 O HOH E5158 43.387 36.028 47.571 1.00 41.85 O HETATM 2646 O HOH E5159 58.111 35.253 35.513 1.00 28.91 O HETATM 2647 O HOH E5160 52.733 16.475 25.544 1.00 29.31 O HETATM 2648 O HOH E5161 72.289 5.444 37.383 1.00 33.07 O HETATM 2649 O HOH E5162 48.720 31.236 40.535 1.00 23.60 O HETATM 2650 O HOH E5163 36.092 19.865 43.222 1.00 33.64 O HETATM 2651 O HOH E5164 68.595 18.195 58.639 1.00 25.47 O HETATM 2652 O HOH E5165 39.084 36.325 40.881 1.00 42.61 O HETATM 2653 O HOH E5166 69.165 29.130 42.355 1.00 25.08 O HETATM 2654 O HOH E5167 51.108 31.304 40.391 1.00 40.63 O HETATM 2655 O HOH E5168 70.241 26.871 40.693 1.00 35.59 O HETATM 2656 O HOH E5169 49.302 33.816 41.871 1.00 28.01 O HETATM 2657 O HOH E5170 52.941 -1.402 38.322 1.00 34.44 O HETATM 2658 O HOH E5171 69.301 33.952 41.825 1.00 31.92 O HETATM 2659 O HOH E5172 54.519 4.078 22.999 1.00 28.64 O HETATM 2660 O HOH E5173 38.167 26.721 39.960 1.00 27.78 O HETATM 2661 O HOH E5174 55.586 -3.725 41.373 1.00 35.11 O HETATM 2662 O HOH E5175 70.065 24.856 42.470 1.00 26.55 O HETATM 2663 O HOH E5176 72.618 18.613 45.430 1.00 26.11 O HETATM 2664 O HOH E5177 77.549 30.892 45.943 1.00 39.52 O HETATM 2665 O HOH E5178 65.875 2.036 50.990 1.00 40.06 O HETATM 2666 O HOH E5179 48.537 33.382 59.127 1.00 39.56 O HETATM 2667 O HOH E5180 39.793 27.995 37.191 1.00 38.92 O HETATM 2668 O HOH E5181 60.755 21.305 24.480 1.00 30.75 O HETATM 2669 O HOH E5182 65.813 8.027 25.174 1.00 33.55 O HETATM 2670 O HOH E5183 62.208 -4.440 50.543 1.00 31.21 O HETATM 2671 O HOH E5184 54.041 -0.342 57.012 1.00 38.92 O HETATM 2672 O HOH E5185 58.190 0.417 27.742 1.00 32.46 O HETATM 2673 O HOH E5186 57.794 -3.912 42.217 1.00 38.97 O HETATM 2674 O HOH E5187 72.886 24.691 42.935 1.00 33.25 O HETATM 2675 O HOH E5188 48.860 -2.156 56.701 1.00 32.46 O HETATM 2676 O HOH E5189 63.250 21.386 25.644 1.00 33.06 O HETATM 2677 O HOH E5190 51.777 1.966 57.901 0.50 17.52 O HETATM 2678 O HOH E5191 63.275 33.544 39.419 1.00 25.31 O HETATM 2679 O HOH E5192 58.675 23.492 24.345 1.00 31.23 O HETATM 2680 O HOH E5193 67.906 13.646 56.217 1.00 33.62 O HETATM 2681 O HOH E5194 57.354 -7.033 43.503 1.00 43.95 O HETATM 2682 O HOH E5195 73.396 20.678 52.874 1.00 32.16 O HETATM 2683 O HOH E5196 77.692 35.927 51.523 1.00 36.76 O HETATM 2684 O HOH E5197 35.279 12.616 51.434 1.00 33.63 O HETATM 2685 O HOH E5198 69.901 34.984 45.065 1.00 36.26 O HETATM 2686 O HOH E5199 39.220 4.937 49.015 1.00 38.02 O HETATM 2687 O HOH E5200 64.861 34.445 41.009 1.00 30.80 O HETATM 2688 O HOH E5201 69.863 35.428 47.692 1.00 34.31 O HETATM 2689 O HOH E5202 70.681 8.764 31.993 1.00 48.51 O HETATM 2690 O HOH E5203 49.503 -3.273 54.561 1.00 42.51 O HETATM 2691 O HOH E5204 49.108 6.379 62.925 0.50 15.77 O HETATM 2692 O HOH E5205 37.781 29.208 38.234 1.00 37.28 O HETATM 2693 O HOH E5206 52.519 5.649 25.575 1.00 33.08 O HETATM 2694 O HOH E5207 49.991 0.586 58.462 1.00 36.81 O HETATM 2695 O HOH E5208 60.084 34.252 43.352 1.00 29.31 O HETATM 2696 O HOH E5209 71.586 34.148 43.674 1.00 36.16 O HETATM 2697 O HOH E5210 54.185 30.688 28.226 1.00 31.40 O HETATM 2698 O HOH E5211 38.255 23.053 60.489 1.00 40.41 O HETATM 2699 O HOH E5212 58.395 34.651 62.040 1.00 44.21 O HETATM 2700 O HOH E5213 77.456 34.761 48.974 1.00 31.04 O HETATM 2701 O HOH E5214 54.596 34.507 56.514 1.00 28.57 O HETATM 2702 O HOH E5215 68.457 37.321 48.421 1.00 29.00 O HETATM 2703 O HOH E5216 56.527 32.736 30.002 0.50 12.86 O HETATM 2704 O HOH E5217 39.333 2.298 47.967 1.00 43.09 O HETATM 2705 O HOH E5218 45.899 12.729 62.550 1.00 37.20 O HETATM 2706 O HOH E5219 59.986 -1.633 31.578 1.00 38.90 O HETATM 2707 O HOH E5220 54.600 27.672 25.088 1.00 35.71 O HETATM 2708 O HOH E5221 48.071 36.631 56.227 1.00 37.63 O HETATM 2709 O HOH E5222 56.159 35.306 33.080 1.00 44.76 O HETATM 2710 O HOH E5223 47.788 2.686 62.987 1.00 38.79 O HETATM 2711 O HOH E5224 56.074 19.702 23.732 1.00 43.43 O HETATM 2712 O HOH E5225 65.151 20.130 24.273 1.00 38.87 O HETATM 2713 O HOH E5226 65.426 32.061 34.103 1.00 49.07 O HETATM 2714 O HOH E5227 46.466 14.242 25.569 1.00 32.57 O HETATM 2715 O HOH E5228 36.789 32.627 42.289 1.00 38.73 O HETATM 2716 O HOH E5229 38.265 23.109 40.507 1.00 29.58 O HETATM 2717 O HOH E5230 47.181 9.537 63.912 1.00 40.00 O HETATM 2718 O HOH E5231 57.988 32.363 29.769 0.50 15.72 O HETATM 2719 O HOH E5232 60.104 2.101 23.485 1.00 30.05 O HETATM 2720 O HOH E5233 46.592 25.109 64.926 1.00 33.95 O HETATM 2721 O HOH E5234 65.985 32.635 37.161 1.00 37.73 O HETATM 2722 O HOH E5235 43.417 13.346 25.823 1.00 33.98 O HETATM 2723 O HOH E5236 61.178 1.005 46.477 1.00 39.39 O HETATM 2724 O HOH E5237 52.137 33.550 38.445 1.00 40.27 O HETATM 2725 O HOH E5238 60.961 24.699 65.677 0.50 14.76 O HETATM 2726 O HOH E5239 33.621 31.152 46.985 1.00 44.25 O HETATM 2727 O HOH E5240 68.649 28.141 59.536 0.50 24.24 O HETATM 2728 O HOH E5241 71.863 17.200 58.596 1.00 49.35 O HETATM 2729 O HOH E5242 56.971 -1.023 55.949 0.50 23.08 O HETATM 2730 O HOH E5243 45.360 23.007 65.622 1.00 41.42 O HETATM 2731 O HOH E5244 61.951 35.472 41.039 1.00 41.88 O HETATM 2732 O HOH E5245 53.239 6.100 58.989 1.00 35.78 O HETATM 2733 O HOH E5246 49.854 22.531 65.377 1.00 43.04 O HETATM 2734 O HOH E5247 49.055 37.928 59.253 1.00 33.58 O HETATM 2735 O HOH E5248 41.274 23.871 37.810 0.50 15.96 O HETATM 2736 O HOH E5249 60.902 35.697 35.959 1.00 46.65 O HETATM 2737 O HOH E5250 43.195 20.402 63.158 1.00 42.29 O HETATM 2738 O HOH E5251 38.592 34.993 37.177 1.00 45.58 O HETATM 2739 O HOH E5252 64.458 12.276 23.697 1.00 40.91 O HETATM 2740 O HOH E5253 52.550 26.462 23.558 1.00 34.63 O HETATM 2741 O HOH E5254 61.373 14.656 23.630 1.00 34.84 O HETATM 2742 O HOH E5255 41.153 15.404 32.032 1.00 31.46 O HETATM 2743 O HOH E5256 39.625 6.580 58.264 1.00 47.41 O HETATM 2744 O HOH E5257 43.111 23.621 35.429 0.50 16.26 O HETATM 2745 O HOH E5258 63.136 -2.031 48.924 1.00 39.76 O HETATM 2746 O HOH E5259 33.622 17.818 43.489 1.00 42.66 O HETATM 2747 O HOH E5260 43.348 1.913 38.153 1.00 41.87 O HETATM 2748 O HOH E5261 67.559 11.278 30.911 1.00 33.91 O HETATM 2749 O HOH E5262 36.340 11.513 39.633 1.00 32.87 O HETATM 2750 O HOH E5263 33.868 28.291 47.366 1.00 34.79 O HETATM 2751 O HOH E5264 54.656 6.788 24.818 1.00 37.45 O HETATM 2752 O HOH E5265 36.403 15.056 34.409 1.00 41.71 O HETATM 2753 O HOH E5266 37.990 11.932 59.102 1.00 36.88 O HETATM 2754 O HOH E5267 49.557 19.654 23.757 1.00 41.65 O HETATM 2755 O HOH E5268 39.007 4.981 45.792 1.00 31.95 O HETATM 2756 O HOH E5269 39.649 8.173 34.589 1.00 43.01 O HETATM 2757 O HOH E5270 59.721 35.140 30.916 1.00 37.14 O HETATM 2758 O HOH E5271 73.532 19.172 59.335 1.00 43.26 O HETATM 2759 O HOH E5272 41.735 30.963 57.724 1.00 30.87 O HETATM 2760 O HOH E5273 73.746 28.698 43.920 1.00 33.54 O HETATM 2761 O HOH E5274 55.665 -4.346 53.005 1.00 37.74 O HETATM 2762 O HOH E5275 41.616 22.114 66.232 1.00 43.82 O HETATM 2763 O HOH E5276 40.976 1.837 37.389 1.00 40.73 O HETATM 2764 O HOH E5277 52.928 -2.426 56.665 1.00 42.29 O HETATM 2765 O HOH E5278 45.453 5.659 62.225 1.00 35.52 O HETATM 2766 O HOH E5279 57.399 7.323 60.297 0.50 22.38 O HETATM 2767 O HOH E5280 66.948 38.547 46.176 1.00 36.77 O HETATM 2768 O HOH E5281 40.464 20.415 64.573 1.00 43.40 O HETATM 2769 O HOH E5282 58.839 33.390 47.372 1.00 21.52 O HETATM 2770 O HOH E5283 45.102 -4.615 60.764 1.00 36.57 O HETATM 2771 O HOH E5284 63.894 36.644 43.041 1.00 47.73 O HETATM 2772 O HOH E5285 68.327 23.362 43.554 1.00 25.23 O HETATM 2773 O HOH E5286 62.979 2.099 47.934 1.00 40.63 O HETATM 2774 O HOH E5287 78.904 33.522 53.390 1.00 36.39 O HETATM 2775 O HOH E5288 55.475 0.675 24.037 1.00 41.02 O HETATM 2776 O HOH E5289 43.135 10.904 60.431 1.00 33.96 O HETATM 2777 O HOH E5290 39.042 9.374 39.021 1.00 47.32 O HETATM 2778 O HOH E5291 31.817 22.792 49.150 1.00 45.57 O HETATM 2779 O HOH E5292 71.187 4.739 33.494 1.00 39.31 O HETATM 2780 O HOH E5293 58.041 9.514 23.787 1.00 45.91 O HETATM 2781 O HOH E5294 65.783 18.119 26.279 1.00 26.32 O HETATM 2782 O HOH E5295 51.543 21.318 63.246 1.00 35.30 O HETATM 2783 O HOH E5296 64.210 37.830 40.439 1.00 38.75 O HETATM 2784 O HOH E5297 62.199 35.914 44.725 1.00 41.38 O HETATM 2785 O HOH E5298 38.057 9.273 53.028 1.00 31.48 O HETATM 2786 O HOH E5299 61.712 -3.324 46.254 1.00 35.68 O HETATM 2787 O HOH E5300 59.992 -0.836 41.176 0.50 19.43 O HETATM 2788 O HOH E5301 57.394 -4.338 31.547 1.00 45.52 O HETATM 2789 O HOH E5302 62.123 6.851 46.928 0.50 25.00 O HETATM 2790 O HOH E5303 61.796 8.316 47.759 0.50 20.46 O HETATM 2791 O HOH E5304 62.560 35.369 37.819 1.00 43.69 O HETATM 2792 O HOH E5305 62.689 4.778 47.614 1.00 39.95 O HETATM 2793 O HOH E5306 67.946 15.971 57.347 1.00 44.24 O HETATM 2794 O HOH E5307 70.919 23.183 59.372 1.00 32.24 O HETATM 2795 O HOH E5308 75.128 23.359 51.151 1.00 36.38 O HETATM 2796 O HOH E5309 57.678 36.342 60.373 1.00 43.06 O HETATM 2797 O HOH E5310 56.862 -2.345 53.401 1.00 21.60 O HETATM 2798 O HOH E5311 70.161 21.756 34.781 1.00 41.15 O HETATM 2799 O HOH E5312 57.209 33.289 49.673 0.33 9.50 O HETATM 2800 O HOH E5313 40.649 10.294 54.912 1.00 33.27 O HETATM 2801 O HOH E5314 56.544 14.796 41.031 1.00 10.36 O HETATM 2802 O HOH E5315 52.519 32.513 29.825 1.00 39.81 O HETATM 2803 O HOH E5316 35.637 18.995 32.114 1.00 39.33 O HETATM 2804 O HOH E5317 53.142 -6.268 44.373 1.00 40.93 O HETATM 2805 O HOH E5318 66.739 16.698 59.600 1.00 33.02 O HETATM 2806 O HOH E5319 57.446 0.099 30.472 0.50 26.17 O HETATM 2807 O HOH E5320 65.324 18.975 59.951 1.00 35.55 O HETATM 2808 O HOH E5321 67.330 20.285 60.615 1.00 41.31 O HETATM 2809 O HOH E5322 52.607 -4.416 52.476 1.00 33.78 O HETATM 2810 O HOH E5323 76.895 28.076 52.963 1.00 29.27 O HETATM 2811 O HOH E5324 76.970 25.379 49.457 1.00 38.31 O HETATM 2812 O HOH E5325 53.002 33.632 35.607 1.00 39.76 O HETATM 2813 O HOH E5326 43.917 -0.306 45.404 1.00 42.67 O HETATM 2814 O HOH E5327 40.004 4.117 57.552 1.00 40.59 O HETATM 2815 O HOH E5328 41.048 0.606 49.402 1.00 24.85 O HETATM 2816 O HOH E5329 47.572 32.791 38.682 1.00 29.73 O HETATM 2817 O HOH E5330 37.001 10.940 36.564 1.00 43.42 O HETATM 2818 O HOH E5331 67.501 20.739 23.079 1.00 46.27 O HETATM 2819 O HOH E5332 70.042 9.357 37.825 1.00 30.96 O HETATM 2820 O HOH E5333 56.699 11.834 49.229 1.00 10.27 O HETATM 2821 O HOH E5334 60.257 4.561 36.283 1.00 19.18 O HETATM 2822 O HOH E5335 57.895 3.557 33.645 1.00 31.70 O HETATM 2823 O HOH E5336 42.437 13.081 30.240 1.00 36.06 O HETATM 2824 O HOH E5337 75.920 30.007 54.212 1.00 45.89 O HETATM 2825 O HOH E5338 41.430 -1.936 53.331 1.00 26.18 O HETATM 2826 O HOH E5339 74.982 24.850 47.660 1.00 36.32 O HETATM 2827 O HOH I 84 91.320 18.020 35.364 1.00 38.56 O HETATM 2828 O HOH I 85 68.930 7.387 51.728 0.50 22.89 O HETATM 2829 O HOH I 86 84.962 17.434 51.629 1.00 39.09 O HETATM 2830 O HOH I 87 67.713 17.897 28.806 1.00 23.70 O HETATM 2831 O HOH I 88 71.623 17.105 47.701 1.00 18.43 O HETATM 2832 O HOH I 89 64.826 22.236 42.249 1.00 15.53 O HETATM 2833 O HOH I 90 72.276 20.627 41.508 1.00 31.12 O HETATM 2834 O HOH I 91 69.320 15.661 46.732 1.00 19.81 O HETATM 2835 O HOH I 92 65.922 9.148 43.165 1.00 23.20 O HETATM 2836 O HOH I 93 74.087 14.227 44.871 1.00 14.77 O HETATM 2837 O HOH I 94 67.746 5.560 52.430 1.00 39.82 O HETATM 2838 O HOH I 95 76.010 16.860 43.409 1.00 19.67 O HETATM 2839 O HOH I 96 70.855 16.463 42.430 1.00 20.45 O HETATM 2840 O HOH I 97 70.488 9.988 40.453 1.00 24.49 O HETATM 2841 O HOH I 98 73.276 16.507 43.800 1.00 24.53 O HETATM 2842 O HOH I 99 85.923 11.101 29.360 1.00 30.68 O HETATM 2843 O HOH I 100 76.500 18.996 41.792 1.00 19.64 O HETATM 2844 O HOH I 101 89.937 7.070 45.964 1.00 40.63 O HETATM 2845 O HOH I 102 78.615 17.913 40.170 1.00 20.36 O HETATM 2846 O HOH I 103 74.363 17.583 50.791 1.00 27.20 O HETATM 2847 O HOH I 104 70.504 18.717 40.690 1.00 28.46 O HETATM 2848 O HOH I 105 97.818 7.731 40.623 1.00 26.55 O HETATM 2849 O HOH I 106 70.289 18.537 38.049 1.00 35.74 O HETATM 2850 O HOH I 107 85.358 5.874 34.060 1.00 25.61 O HETATM 2851 O HOH I 108 83.292 27.017 49.080 1.00 40.15 O HETATM 2852 O HOH I 109 77.208 17.902 29.458 1.00 31.63 O HETATM 2853 O HOH I 110 72.819 18.295 54.052 1.00 40.25 O HETATM 2854 O HOH I 111 69.841 22.281 41.164 1.00 24.56 O HETATM 2855 O HOH I 112 95.979 8.829 43.946 1.00 44.28 O HETATM 2856 O HOH I 113 80.926 6.402 53.219 1.00 32.20 O HETATM 2857 O HOH I 114 75.305 21.380 49.612 1.00 47.13 O HETATM 2858 O HOH I 115 75.159 21.478 35.603 1.00 47.12 O HETATM 2859 O HOH I 116 89.092 7.616 40.055 1.00 41.46 O HETATM 2860 O HOH I 117 76.866 7.064 36.502 1.00 30.78 O HETATM 2861 O HOH I 118 94.423 20.134 41.119 1.00 31.93 O HETATM 2862 O HOH I 119 91.260 11.890 34.332 1.00 30.22 O HETATM 2863 O HOH I 120 78.300 7.365 52.741 1.00 31.61 O HETATM 2864 O HOH I 121 83.908 22.566 34.563 1.00 40.31 O HETATM 2865 O HOH I 122 90.054 20.057 30.613 1.00 43.20 O HETATM 2866 O HOH I 123 77.325 24.468 42.133 1.00 39.38 O HETATM 2867 O HOH I 124 81.253 3.080 46.975 1.00 33.73 O HETATM 2868 O HOH I 125 80.017 6.196 35.954 1.00 37.54 O HETATM 2869 O HOH I 126 81.366 19.582 53.698 1.00 37.52 O HETATM 2870 O HOH I 127 85.217 2.827 48.330 1.00 38.90 O HETATM 2871 O HOH I 128 87.800 15.299 31.135 1.00 40.63 O HETATM 2872 O HOH I 129 85.749 12.980 32.795 1.00 37.27 O HETATM 2873 O HOH I 130 84.397 25.157 43.417 1.00 41.17 O HETATM 2874 O HOH I 131 89.544 17.547 29.745 1.00 39.13 O HETATM 2875 O HOH I 132 82.946 2.344 44.639 1.00 38.25 O HETATM 2876 O HOH I 133 79.784 5.993 38.816 1.00 38.10 O HETATM 2877 O HOH I 134 89.775 16.636 49.553 1.00 41.19 O HETATM 2878 O HOH I 135 89.104 12.740 54.153 1.00 52.46 O HETATM 2879 O HOH I 136 70.669 14.757 30.105 1.00 41.44 O HETATM 2880 O HOH I 137 91.787 7.276 39.907 1.00 42.31 O HETATM 2881 O HOH I 138 74.303 8.072 34.819 1.00 33.89 O HETATM 2882 O HOH I 139 88.076 2.849 44.516 1.00 39.11 O HETATM 2883 O HOH I 140 74.684 20.682 40.643 1.00 41.11 O HETATM 2884 O HOH I 141 76.681 2.721 49.965 1.00 35.95 O HETATM 2885 O HOH I 142 76.190 19.915 51.653 1.00 39.68 O HETATM 2886 O HOH I 143 74.443 17.354 56.519 1.00 42.48 O HETATM 2887 O HOH I 144 74.520 18.985 29.327 1.00 32.11 O HETATM 2888 O HOH I 145 69.943 6.179 45.445 1.00 43.51 O HETATM 2889 O HOH I 146 90.982 15.097 31.551 1.00 56.34 O HETATM 2890 O HOH I 147 79.946 4.785 43.562 1.00 25.00 O HETATM 2891 O HOH I 148 83.384 21.137 51.720 1.00 31.25 O HETATM 2892 O HOH I 149 92.030 17.618 30.794 1.00 37.51 O HETATM 2893 O HOH I 150 72.265 6.084 44.363 1.00 36.71 O HETATM 2894 O HOH I 151 95.259 14.060 38.268 1.00 32.11 O HETATM 2895 O HOH I 152 77.563 25.309 44.649 1.00 39.88 O HETATM 2896 O HOH I 153 69.881 7.542 41.906 1.00 42.71 O HETATM 2897 O HOH I 154 81.203 24.178 48.731 1.00 44.76 O HETATM 2898 O HOH I 155 64.686 8.670 45.110 1.00 40.21 O HETATM 2899 O HOH I 156 88.069 5.033 41.898 1.00 38.43 O HETATM 2900 O HOH I 157 72.828 19.554 37.304 1.00 41.72 O HETATM 2901 O HOH I 158 68.770 10.685 53.553 1.00 25.67 O HETATM 2902 O HOH I 159 69.476 8.220 52.874 0.50 16.83 O HETATM 2903 O HOH I 160 92.049 10.034 38.431 1.00 46.13 O HETATM 2904 O HOH I 161 87.345 5.187 55.221 1.00 45.99 O HETATM 2905 O HOH I 162 86.521 21.128 31.383 0.50 20.09 O HETATM 2906 O HOH I 163 65.818 9.714 51.599 1.00 13.33 O HETATM 2907 O HOH I 164 88.736 5.561 52.907 1.00 42.46 O HETATM 2908 O HOH I 165 85.300 21.899 30.695 0.50 14.15 O HETATM 2909 O HOH I 166 89.186 22.551 41.191 1.00 57.38 O CONECT 13 2451 CONECT 294 2451 CONECT 528 2451 CONECT 548 2451 CONECT 559 2451 CONECT 571 2451 CONECT 1116 2452 CONECT 2451 13 294 528 548 CONECT 2451 559 571 CONECT 2452 1116 2466 2469 2472 CONECT 2452 2475 2478 2481 2496 CONECT 2453 2454 2455 2456 CONECT 2454 2453 CONECT 2455 2453 CONECT 2456 2453 2457 CONECT 2457 2456 2458 2459 2463 CONECT 2458 2457 CONECT 2459 2457 2460 CONECT 2460 2459 2461 2462 CONECT 2461 2460 CONECT 2462 2460 CONECT 2463 2457 2464 2465 CONECT 2464 2463 CONECT 2465 2463 CONECT 2466 2452 2467 CONECT 2467 2466 2468 CONECT 2468 2467 2469 CONECT 2469 2452 2468 2470 CONECT 2470 2469 2471 CONECT 2471 2470 2472 CONECT 2472 2452 2471 2473 CONECT 2473 2472 2474 CONECT 2474 2473 2475 CONECT 2475 2452 2474 2476 CONECT 2476 2475 2477 CONECT 2477 2476 2478 CONECT 2478 2452 2477 2479 CONECT 2479 2478 2480 CONECT 2480 2479 2481 CONECT 2481 2452 2480 CONECT 2482 2483 CONECT 2483 2482 2484 CONECT 2484 2483 2485 CONECT 2485 2484 2486 CONECT 2486 2485 2487 CONECT 2487 2486 2488 CONECT 2488 2487 2489 CONECT 2489 2488 CONECT 2496 2452 MASTER 398 0 5 11 15 0 10 6 2892 2 49 27 END
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Entry Information
PDB ID
1y4a
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
subtilisin bpn
Ligand Name
protein
EC.Number
E.C.3.4.21.62
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=1.2nM
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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