Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JAN-06 2FTL TITLE CRYSTAL STRUCTURE OF TRYPSIN COMPLEXED WITH BPTI AT 100K COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 8 CHAIN: I; COMPND 9 FRAGMENT: BPTI; COMPND 10 SYNONYM: BASIC PROTEASE INHIBITOR, BPI, BPTI, APROTININ; COMPND 11 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 7 ORGANISM_COMMON: CATTLE; SOURCE 8 ORGANISM_TAXID: 9913; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 11 EXPRESSION_SYSTEM_STRAIN: HB101; SOURCE 12 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PTI103 KEYWDS PROTEASE-INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR W.M.HANSON,M.P.HORVATH,D.P.GOLDENBERG REVDAT 6 27-JUL-11 2FTL 1 HETNAM HETSYN REMARK REVDAT 5 13-JUL-11 2FTL 1 VERSN REVDAT 4 08-SEP-09 2FTL 1 HET REVDAT 3 24-FEB-09 2FTL 1 VERSN REVDAT 2 20-FEB-07 2FTL 1 JRNL REVDAT 1 14-FEB-06 2FTL 0 JRNL AUTH W.M.HANSON,G.J.DOMEK,M.P.HORVATH,D.P.GOLDENBERG JRNL TITL RIGIDIFICATION OF A FLEXIBLE PROTEASE INHIBITOR VARIANT UPON JRNL TITL 2 BINDING TO TRYPSIN. JRNL REF J.MOL.BIOL. V. 366 230 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17157870 JRNL DOI 10.1016/J.JMB.2006.11.003 REMARK 2 REMARK 2 RESOLUTION. 1.62 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.62 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 48719 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : TRHOUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM, SAME TEST SET AS FOR REMARK 3 PDB ID 2FI3, 2FI4, AND 2FI5 REMARK 3 R VALUE (WORKING SET) : 0.214 REMARK 3 FREE R VALUE : 0.227 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.100 REMARK 3 FREE R VALUE TEST SET COUNT : 3953 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.62 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.72 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.93 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 7341 REMARK 3 BIN R VALUE (WORKING SET) : 0.2510 REMARK 3 BIN FREE R VALUE : 0.2740 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 667 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2071 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 67 REMARK 3 SOLVENT ATOMS : 260 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.16 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.19 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.00 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 0.979 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.493 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.521 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.167 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.36 REMARK 3 BSOL : 19.45 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MAXIMUM-LIKELIHOOD USING MEASURED REMARK 3 INTENSITIES (MLI) TARGET AS IMPLEMENTED WITH CNS SOLVE 1.1 REMARK 4 REMARK 4 2FTL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JAN-06. REMARK 100 THE RCSB ID CODE IS RCSB036295. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-AUG-02 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC CONFOCAL MAX-FLUX (GREEN) REMARK 200 OPTICS : OSMIC CONFOCAL MAX-FLUX (GREEN) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : NONIUS KAPPA CCD2000 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 50681 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 10.300 REMARK 200 R MERGE (I) : 0.05000 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 20.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 REMARK 200 R MERGE FOR SHELL (I) : 0.24100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.630 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 2PTC REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 61.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.19 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10 MM CALCIUM CHLORIDE, 0.1 M HEPES, REMARK 280 1.8 M AMMONIUM SULFATE, 0.02% SODIUM AZIDE; 20% ETHYLENE GLYCOL REMARK 280 ADDED UPON HARVESTING AND PRIOR TO FREEZING, PH 7.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 37.36300 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.95300 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 62.13050 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 37.36300 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.95300 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 62.13050 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 37.36300 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 40.95300 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 62.13050 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 37.36300 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 40.95300 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 62.13050 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5 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: 4110 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -104.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 24040 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 40000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -530.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 10090 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 21850 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -234.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 9760 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 22260 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -235.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 5 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7510 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 24510 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -233.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 APPLY THE FOLLOWING TO CHAINS: I REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 -1.000000 0.000000 163.81200 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CA CA I1003 LIES ON A SPECIAL POSITION. 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 LYS E 145 CD CE NZ REMARK 470 ARG I 1 N CA CB CG CD NE CZ REMARK 470 ARG I 1 NH1 NH2 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 71 -78.25 -131.17 REMARK 500 SER E 214 -69.57 -122.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH I 513 DISTANCE = 5.07 ANGSTROMS REMARK 600 REMARK 600 HETEROGEN REMARK 600 THE RESIDUE IAS 115 IN CHAIN E IS CONNECTED TO REMARK 600 RESIDUE 116 BY A BETA-PEPTIDE LINKAGE. REMARK 600 THIS IS A COVALENT BOND BETWEEN CG OF IAS REMARK 600 AND N OF THE FOLLOWING RESIDUE. 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 NA E1001 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP E 71 OD2 REMARK 620 2 GLU E 77 OE2 126.1 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E1002 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 80 OE2 REMARK 620 2 HOH E1023 O 94.2 REMARK 620 3 HOH E1019 O 80.6 158.1 REMARK 620 4 ASN E 72 O 159.5 103.3 86.7 REMARK 620 5 VAL E 75 O 87.7 90.8 110.1 81.6 REMARK 620 6 GLU E 70 OE2 103.1 79.5 81.0 90.6 165.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA I1003 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH I 922 O REMARK 620 2 THR I 32 N 86.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 1008 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 1009 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 1010 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 1011 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 3 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 4 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 5 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 6 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA I 1003 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 1004 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 1005 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 1006 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 1007 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2PTC RELATED DB: PDB REMARK 900 WILD-TYPE BPTI COMPLEXED WITH TRYPSIN AT ROOM TEMPERATURE REMARK 900 RELATED ID: 2FTM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE COMPARISON OF TRYPSIN COMPLEXED WITH BPTI REMARK 900 OR THE BPTI VARIANT TYR35 -> GLY DBREF 2FTL E 16 238 UNP P00760 TRY1_BOVIN 21 243 DBREF 2FTL I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQRES 1 E 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 E 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 E 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 E 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 E 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 E 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 E 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 E 223 SER ALA ALA SER LEU IAS SER ARG VAL ALA SER ILE SER SEQRES 9 E 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 E 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 E 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 E 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 E 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 E 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 E 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 E 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 E 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 E 223 SER ASN SEQRES 1 I 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 58 ARG THR CYS GLY GLY ALA HET IAS E 115 8 HET NA E1001 1 HET CA E1002 1 HET SO4 E1008 10 HET SO4 E1009 5 HET SO4 E1010 5 HET SO4 E1011 10 HET EDO E 1 4 HET EDO E 2 4 HET EDO E 3 4 HET EDO E 4 4 HET EDO E 5 4 HET EDO E 6 4 HET CA I1003 1 HET SO4 I1004 5 HET SO4 I1005 5 HET SO4 I1006 10 HET SO4 I1007 5 HETNAM IAS BETA-L-ASPARTIC ACID HETNAM NA SODIUM ION HETNAM CA CALCIUM ION HETNAM SO4 SULFATE ION HETNAM EDO 1,2-ETHANEDIOL HETSYN IAS L-ASPARTIC ACID HETSYN EDO ETHYLENE GLYCOL FORMUL 1 IAS C4 H7 N O4 FORMUL 3 NA NA 1+ FORMUL 4 CA 2(CA 2+) FORMUL 5 SO4 8(O4 S 2-) FORMUL 9 EDO 6(C2 H6 O2) FORMUL 20 HOH *260(H2 O) HELIX 1 1 ALA E 55 TYR E 59 5 5 HELIX 2 2 SER E 164 TYR E 172 1 9 HELIX 3 3 TYR E 234 SER E 244 1 11 HELIX 4 4 ASP I 3 GLU I 7 5 5 HELIX 5 5 SER I 47 GLY I 56 1 10 SHEET 1 A 7 TYR E 20 THR E 21 0 SHEET 2 A 7 LYS E 156 PRO E 161 -1 O CYS E 157 N TYR E 20 SHEET 3 A 7 GLN E 135 GLY E 140 -1 N ILE E 138 O LEU E 158 SHEET 4 A 7 PRO E 198 CYS E 201 -1 O VAL E 200 N LEU E 137 SHEET 5 A 7 LYS E 204 TRP E 215 -1 O LYS E 204 N CYS E 201 SHEET 6 A 7 GLY E 226 LYS E 230 -1 O VAL E 227 N TRP E 215 SHEET 7 A 7 MET E 180 ALA E 183 -1 N PHE E 181 O TYR E 228 SHEET 1 B 7 GLN E 30 ASN E 34 0 SHEET 2 B 7 HIS E 40 ASN E 48 -1 O CYS E 42 N LEU E 33 SHEET 3 B 7 TRP E 51 SER E 54 -1 O VAL E 53 N SER E 45 SHEET 4 B 7 MET E 104 LEU E 108 -1 O ILE E 106 N VAL E 52 SHEET 5 B 7 GLN E 81 VAL E 90 -1 N ILE E 89 O LEU E 105 SHEET 6 B 7 GLN E 64 LEU E 67 -1 N VAL E 65 O ILE E 83 SHEET 7 B 7 GLN E 30 ASN E 34 -1 N SER E 32 O ARG E 66 SHEET 1 C 2 ILE I 18 ASN I 24 0 SHEET 2 C 2 LEU I 29 TYR I 35 -1 O TYR I 35 N ILE I 18 SSBOND 1 CYS E 22 CYS E 157 1555 1555 2.03 SSBOND 2 CYS E 42 CYS E 58 1555 1555 2.04 SSBOND 3 CYS E 128 CYS E 232 1555 1555 2.03 SSBOND 4 CYS E 136 CYS E 201 1555 1555 2.03 SSBOND 5 CYS E 168 CYS E 182 1555 1555 2.04 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.03 SSBOND 7 CYS I 5 CYS I 55 1555 1555 2.02 SSBOND 8 CYS I 14 CYS I 38 1555 1555 2.02 SSBOND 9 CYS I 30 CYS I 51 1555 1555 2.03 LINK NA NA E1001 OD2 ASP E 71 1555 1555 2.41 LINK CA CA E1002 OE2 GLU E 80 1555 1555 2.28 LINK CA CA E1002 O HOH E1023 1555 1555 2.34 LINK CA CA E1002 O HOH E1019 1555 1555 2.40 LINK CA CA E1002 O ASN E 72 1555 1555 2.36 LINK CA CA E1002 O VAL E 75 1555 1555 2.23 LINK CA CA E1002 OE2 GLU E 70 1555 1555 2.26 LINK CA CA I1003 O BHOH I 922 1555 1555 2.83 LINK CA CA I1003 N THR I 32 1555 1555 2.91 LINK CA CA I1003 N THR I 32 1555 4575 2.91 LINK CA CA I1003 O BHOH I 922 1555 4575 2.83 LINK OE2 GLU E 77 NA NA E1001 1555 1555 2.74 LINK C LEU E 114 N IAS E 115 1555 1555 1.33 LINK CG IAS E 115 N SER E 116 1555 1555 1.33 SITE 1 AC1 2 ASP E 71 GLU E 77 SITE 1 AC2 6 GLU E 70 ASN E 72 VAL E 75 GLU E 80 SITE 2 AC2 6 HOH E1019 HOH E1023 SITE 1 AC3 9 TYR E 59 LYS E 60 SER E 61 HOH E1074 SITE 2 AC3 9 HOH E1129 HOH E1161 HOH E1180 HOH E1192 SITE 3 AC3 9 LYS I 46 SITE 1 AC4 4 LYS E 169 PRO E 173 GLY E 174 HOH E1057 SITE 1 AC5 5 LYS E 107 SER E 164 ASP E 165 SER E 166 SITE 2 AC5 5 HOH E1094 SITE 1 AC6 9 SER E 93 ASN E 95 THR E 98 ASN E 100 SITE 2 AC6 9 ASN E 101 SER E 178 ASN E 179 HOH E1095 SITE 3 AC6 9 HOH E1151 SITE 1 AC7 5 ALA E 129 PHE E 181 GLN E 210 LYS E 230 SITE 2 AC7 5 HOH E1037 SITE 1 AC8 6 ASN E 34 TYR E 39 HIS E 40 ILE E 73 SITE 2 AC8 6 HOH E1022 HOH E1139 SITE 1 AC9 3 TYR E 20 CYS E 22 THR E 26 SITE 1 BC1 3 ASP E 153 VAL E 154 LYS E 156 SITE 1 BC2 5 SER E 49 ALA E 112 SER E 113 LEU E 114 SITE 2 BC2 5 HOH E1146 SITE 1 BC3 4 ILE E 47 ASN E 48 ILE E 242 HOH E1145 SITE 1 BC4 3 GLN I 31 THR I 32 HOH I 922 SITE 1 BC5 9 ARG I 20 TYR I 35 GLY I 37 ALA I 40 SITE 2 BC5 9 HOH I 216 HOH I 445 HOH I 521 HOH I 538 SITE 3 BC5 9 HOH I 554 SITE 1 BC6 8 GLU I 7 ARG I 42 HOH I 135 HOH I 412 SITE 2 BC6 8 HOH I 430 HOH I 573 HOH I 897 HOH I 898 SITE 1 BC7 7 LYS E 87 LYS E 107 HOH E1126 ARG I 42 SITE 2 BC7 7 HOH I 317 HOH I 594 HOH I 947 SITE 1 BC8 7 PRO I 9 TYR I 10 THR I 11 GLY I 12 SITE 2 BC8 7 HOH I 326 HOH I 679 HOH I 923 CRYST1 74.726 81.906 124.261 90.00 90.00 90.00 I 2 2 2 8 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 0.013382 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012209 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008048 0.00000 ATOM 1 N ILE E 16 18.731 63.567 12.896 1.00 11.52 N ATOM 2 CA ILE E 16 19.628 62.701 13.716 1.00 11.76 C ATOM 3 C ILE E 16 21.023 62.724 13.104 1.00 12.64 C ATOM 4 O ILE E 16 21.199 62.349 11.945 1.00 12.43 O ATOM 5 CB ILE E 16 19.126 61.231 13.748 1.00 11.51 C ATOM 6 CG1 ILE E 16 17.713 61.149 14.349 1.00 12.60 C ATOM 7 CG2 ILE E 16 20.100 60.353 14.535 1.00 12.58 C ATOM 8 CD1 ILE E 16 17.632 61.506 15.836 1.00 12.78 C ATOM 9 N VAL E 17 21.998 63.185 13.885 1.00 12.49 N ATOM 10 CA VAL E 17 23.394 63.253 13.444 1.00 12.81 C ATOM 11 C VAL E 17 24.156 62.061 14.021 1.00 14.23 C ATOM 12 O VAL E 17 24.032 61.754 15.209 1.00 13.65 O ATOM 13 CB VAL E 17 24.084 64.558 13.923 1.00 12.54 C ATOM 14 CG1 VAL E 17 25.541 64.606 13.434 1.00 12.07 C ATOM 15 CG2 VAL E 17 23.327 65.780 13.421 1.00 13.13 C ATOM 16 N GLY E 18 24.931 61.390 13.172 1.00 14.41 N ATOM 17 CA GLY E 18 25.721 60.247 13.606 1.00 15.64 C ATOM 18 C GLY E 18 24.937 58.977 13.871 1.00 16.68 C ATOM 19 O GLY E 18 25.426 58.074 14.558 1.00 17.33 O ATOM 20 N GLY E 19 23.729 58.897 13.319 1.00 15.62 N ATOM 21 CA GLY E 19 22.894 57.727 13.515 1.00 16.40 C ATOM 22 C GLY E 19 22.958 56.719 12.387 1.00 17.06 C ATOM 23 O GLY E 19 23.930 56.674 11.631 1.00 18.37 O ATOM 24 N TYR E 20 21.911 55.909 12.274 1.00 16.35 N ATOM 25 CA TYR E 20 21.829 54.883 11.243 1.00 17.17 C ATOM 26 C TYR E 20 20.404 54.759 10.729 1.00 18.35 C ATOM 27 O TYR E 20 19.458 55.217 11.376 1.00 17.90 O ATOM 28 CB TYR E 20 22.296 53.527 11.799 1.00 17.28 C ATOM 29 CG TYR E 20 21.492 53.018 12.983 1.00 17.08 C ATOM 30 CD1 TYR E 20 20.429 52.130 12.802 1.00 17.88 C ATOM 31 CD2 TYR E 20 21.791 53.428 14.285 1.00 17.96 C ATOM 32 CE1 TYR E 20 19.682 51.666 13.887 1.00 18.44 C ATOM 33 CE2 TYR E 20 21.049 52.967 15.375 1.00 18.22 C ATOM 34 CZ TYR E 20 19.998 52.089 15.166 1.00 17.53 C ATOM 35 OH TYR E 20 19.255 51.641 16.235 1.00 18.75 O ATOM 36 N THR E 21 20.258 54.151 9.556 1.00 18.31 N ATOM 37 CA THR E 21 18.946 53.938 8.961 1.00 18.80 C ATOM 38 C THR E 21 18.220 52.882 9.790 1.00 18.94 C ATOM 39 O THR E 21 18.655 51.730 9.863 1.00 19.77 O ATOM 40 CB THR E 21 19.071 53.466 7.501 1.00 19.19 C ATOM 41 OG1 THR E 21 19.655 54.514 6.716 1.00 19.24 O ATOM 42 CG2 THR E 21 17.710 53.100 6.928 1.00 19.79 C ATOM 43 N CYS E 22 17.121 53.289 10.421 1.00 19.47 N ATOM 44 CA CYS E 22 16.331 52.398 11.267 1.00 18.77 C ATOM 45 C CYS E 22 15.873 51.135 10.551 1.00 19.46 C ATOM 46 O CYS E 22 16.050 50.024 11.047 1.00 20.13 O ATOM 47 CB CYS E 22 15.073 53.112 11.772 1.00 17.28 C ATOM 48 SG CYS E 22 15.309 54.691 12.636 1.00 15.06 S ATOM 49 N GLY E 23 15.281 51.329 9.379 1.00 20.36 N ATOM 50 CA GLY E 23 14.732 50.228 8.614 1.00 20.60 C ATOM 51 C GLY E 23 13.242 50.515 8.580 1.00 21.82 C ATOM 52 O GLY E 23 12.686 50.994 9.573 1.00 22.01 O ATOM 53 N ALA E 24 12.596 50.237 7.452 1.00 22.14 N ATOM 54 CA ALA E 24 11.167 50.498 7.290 1.00 22.65 C ATOM 55 C ALA E 24 10.264 50.005 8.416 1.00 22.32 C ATOM 56 O ALA E 24 10.194 48.809 8.698 1.00 23.65 O ATOM 57 CB ALA E 24 10.679 49.953 5.950 1.00 23.15 C ATOM 58 N ASN E 25 9.596 50.956 9.065 1.00 21.84 N ATOM 59 CA ASN E 25 8.652 50.692 10.148 1.00 21.33 C ATOM 60 C ASN E 25 9.188 49.942 11.371 1.00 21.77 C ATOM 61 O ASN E 25 8.425 49.279 12.080 1.00 22.27 O ATOM 62 CB ASN E 25 7.412 49.981 9.593 1.00 21.73 C ATOM 63 CG ASN E 25 6.840 50.672 8.367 1.00 22.14 C ATOM 64 OD1 ASN E 25 6.799 50.095 7.280 1.00 22.99 O ATOM 65 ND2 ASN E 25 6.399 51.914 8.535 1.00 21.97 N ATOM 66 N THR E 26 10.487 50.069 11.635 1.00 20.94 N ATOM 67 CA THR E 26 11.104 49.410 12.789 1.00 20.55 C ATOM 68 C THR E 26 10.845 50.182 14.085 1.00 19.71 C ATOM 69 O THR E 26 11.155 49.706 15.177 1.00 20.09 O ATOM 70 CB THR E 26 12.622 49.235 12.601 1.00 20.82 C ATOM 71 OG1 THR E 26 13.218 50.502 12.303 1.00 21.22 O ATOM 72 CG2 THR E 26 12.912 48.251 11.474 1.00 21.61 C ATOM 73 N VAL E 27 10.307 51.390 13.942 1.00 18.35 N ATOM 74 CA VAL E 27 9.963 52.263 15.063 1.00 16.87 C ATOM 75 C VAL E 27 8.505 52.654 14.771 1.00 16.65 C ATOM 76 O VAL E 27 8.213 53.793 14.408 1.00 15.27 O ATOM 77 CB VAL E 27 10.867 53.523 15.080 1.00 17.15 C ATOM 78 CG1 VAL E 27 10.642 54.325 16.350 1.00 17.12 C ATOM 79 CG2 VAL E 27 12.341 53.123 14.965 1.00 16.58 C ATOM 80 N PRO E 28 7.569 51.701 14.950 1.00 16.74 N ATOM 81 CA PRO E 28 6.130 51.875 14.705 1.00 16.12 C ATOM 82 C PRO E 28 5.381 52.991 15.427 1.00 15.03 C ATOM 83 O PRO E 28 4.280 53.365 15.012 1.00 15.39 O ATOM 84 CB PRO E 28 5.561 50.497 15.044 1.00 16.73 C ATOM 85 CG PRO E 28 6.471 50.020 16.120 1.00 16.90 C ATOM 86 CD PRO E 28 7.827 50.391 15.577 1.00 16.98 C ATOM 87 N TYR E 29 5.957 53.508 16.508 1.00 14.07 N ATOM 88 CA TYR E 29 5.328 54.583 17.273 1.00 13.12 C ATOM 89 C TYR E 29 5.761 55.975 16.813 1.00 12.07 C ATOM 90 O TYR E 29 5.209 56.979 17.257 1.00 12.14 O ATOM 91 CB TYR E 29 5.619 54.412 18.768 1.00 14.17 C ATOM 92 CG TYR E 29 7.083 54.219 19.072 1.00 13.73 C ATOM 93 CD1 TYR E 29 7.924 55.315 19.258 1.00 13.53 C ATOM 94 CD2 TYR E 29 7.636 52.941 19.141 1.00 13.68 C ATOM 95 CE1 TYR E 29 9.285 55.145 19.501 1.00 14.08 C ATOM 96 CE2 TYR E 29 8.997 52.758 19.383 1.00 13.78 C ATOM 97 CZ TYR E 29 9.812 53.868 19.561 1.00 14.31 C ATOM 98 OH TYR E 29 11.158 53.705 19.793 1.00 14.54 O ATOM 99 N GLN E 30 6.767 56.030 15.944 1.00 12.15 N ATOM 100 CA GLN E 30 7.267 57.301 15.428 1.00 11.74 C ATOM 101 C GLN E 30 6.327 57.870 14.375 1.00 11.21 C ATOM 102 O GLN E 30 5.969 57.184 13.417 1.00 12.51 O ATOM 103 CB GLN E 30 8.652 57.111 14.801 1.00 11.10 C ATOM 104 CG GLN E 30 9.159 58.313 13.987 1.00 11.41 C ATOM 105 CD GLN E 30 9.822 59.384 14.837 1.00 12.16 C ATOM 106 OE1 GLN E 30 9.422 60.555 14.827 1.00 12.64 O ATOM 107 NE2 GLN E 30 10.864 58.994 15.552 1.00 11.33 N ATOM 108 N VAL E 31 5.915 59.114 14.570 1.00 10.15 N ATOM 109 CA VAL E 31 5.055 59.779 13.604 1.00 11.10 C ATOM 110 C VAL E 31 5.720 61.062 13.133 1.00 10.81 C ATOM 111 O VAL E 31 6.678 61.550 13.739 1.00 10.70 O ATOM 112 CB VAL E 31 3.647 60.106 14.175 1.00 11.42 C ATOM 113 CG1 VAL E 31 3.002 58.853 14.734 1.00 11.21 C ATOM 114 CG2 VAL E 31 3.721 61.220 15.227 1.00 10.27 C ATOM 115 N SER E 32 5.235 61.571 12.008 1.00 10.46 N ATOM 116 CA SER E 32 5.731 62.812 11.442 1.00 10.07 C ATOM 117 C SER E 32 4.593 63.815 11.500 1.00 9.98 C ATOM 118 O SER E 32 3.445 63.459 11.227 1.00 11.55 O ATOM 119 CB SER E 32 6.144 62.606 9.982 1.00 10.35 C ATOM 120 OG SER E 32 6.241 63.850 9.307 1.00 10.09 O ATOM 121 N LEU E 33 4.892 65.032 11.944 1.00 9.05 N ATOM 122 CA LEU E 33 3.890 66.091 11.984 1.00 8.95 C ATOM 123 C LEU E 33 4.104 66.880 10.698 1.00 10.89 C ATOM 124 O LEU E 33 5.207 67.362 10.431 1.00 9.97 O ATOM 125 CB LEU E 33 4.069 66.981 13.209 1.00 8.67 C ATOM 126 CG LEU E 33 4.005 66.256 14.559 1.00 8.99 C ATOM 127 CD1 LEU E 33 3.927 67.298 15.653 1.00 9.78 C ATOM 128 CD2 LEU E 33 2.800 65.313 14.633 1.00 11.16 C ATOM 129 N ASN E 34 3.048 66.991 9.898 1.00 10.24 N ATOM 130 CA ASN E 34 3.123 67.663 8.608 1.00 11.10 C ATOM 131 C ASN E 34 2.206 68.879 8.504 1.00 10.64 C ATOM 132 O ASN E 34 1.044 68.831 8.902 1.00 11.28 O ATOM 133 CB ASN E 34 2.777 66.633 7.521 1.00 10.45 C ATOM 134 CG ASN E 34 2.939 67.175 6.116 1.00 10.79 C ATOM 135 OD1 ASN E 34 2.133 67.978 5.658 1.00 11.84 O ATOM 136 ND2 ASN E 34 3.969 66.706 5.413 1.00 10.83 N ATOM 137 N SER E 37 2.746 69.976 7.982 1.00 9.25 N ATOM 138 CA SER E 37 1.986 71.205 7.790 1.00 11.21 C ATOM 139 C SER E 37 2.313 71.690 6.383 1.00 10.79 C ATOM 140 O SER E 37 2.595 72.868 6.163 1.00 12.61 O ATOM 141 CB SER E 37 2.403 72.257 8.818 1.00 13.70 C ATOM 142 OG SER E 37 1.561 73.393 8.751 1.00 18.80 O ATOM 143 N GLY E 38 2.254 70.760 5.438 1.00 11.26 N ATOM 144 CA GLY E 38 2.587 71.068 4.058 1.00 11.37 C ATOM 145 C GLY E 38 3.984 70.543 3.780 1.00 13.40 C ATOM 146 O GLY E 38 4.474 70.606 2.655 1.00 13.14 O ATOM 147 N TYR E 39 4.621 70.050 4.842 1.00 10.85 N ATOM 148 CA TYR E 39 5.966 69.479 4.823 1.00 10.06 C ATOM 149 C TYR E 39 6.245 68.995 6.251 1.00 9.37 C ATOM 150 O TYR E 39 5.550 69.398 7.187 1.00 8.93 O ATOM 151 CB TYR E 39 7.012 70.528 4.404 1.00 9.84 C ATOM 152 CG TYR E 39 7.086 71.728 5.322 1.00 8.37 C ATOM 153 CD1 TYR E 39 6.244 72.825 5.143 1.00 8.61 C ATOM 154 CD2 TYR E 39 7.962 71.745 6.409 1.00 8.35 C ATOM 155 CE1 TYR E 39 6.264 73.907 6.025 1.00 10.10 C ATOM 156 CE2 TYR E 39 7.991 72.815 7.292 1.00 8.53 C ATOM 157 CZ TYR E 39 7.141 73.893 7.102 1.00 9.05 C ATOM 158 OH TYR E 39 7.144 74.947 7.988 1.00 11.49 O ATOM 159 N HIS E 40 7.243 68.132 6.411 1.00 9.28 N ATOM 160 CA HIS E 40 7.603 67.609 7.736 1.00 8.95 C ATOM 161 C HIS E 40 8.285 68.696 8.564 1.00 8.76 C ATOM 162 O HIS E 40 9.277 69.277 8.130 1.00 9.06 O ATOM 163 CB HIS E 40 8.539 66.407 7.590 1.00 8.35 C ATOM 164 CG HIS E 40 9.214 66.009 8.865 1.00 9.27 C ATOM 165 ND1 HIS E 40 8.689 65.067 9.723 1.00 8.99 N ATOM 166 CD2 HIS E 40 10.361 66.445 9.441 1.00 10.27 C ATOM 167 CE1 HIS E 40 9.481 64.941 10.773 1.00 9.58 C ATOM 168 NE2 HIS E 40 10.503 65.766 10.627 1.00 8.48 N ATOM 169 N PHE E 41 7.787 68.947 9.774 1.00 8.43 N ATOM 170 CA PHE E 41 8.391 69.980 10.615 1.00 7.77 C ATOM 171 C PHE E 41 8.742 69.516 12.036 1.00 7.46 C ATOM 172 O PHE E 41 9.481 70.193 12.743 1.00 8.17 O ATOM 173 CB PHE E 41 7.495 71.224 10.675 1.00 9.19 C ATOM 174 CG PHE E 41 6.253 71.043 11.507 1.00 10.66 C ATOM 175 CD1 PHE E 41 6.246 71.404 12.852 1.00 9.07 C ATOM 176 CD2 PHE E 41 5.102 70.503 10.950 1.00 8.83 C ATOM 177 CE1 PHE E 41 5.109 71.225 13.634 1.00 8.60 C ATOM 178 CE2 PHE E 41 3.954 70.320 11.725 1.00 10.00 C ATOM 179 CZ PHE E 41 3.960 70.682 13.069 1.00 9.57 C ATOM 180 N CYS E 42 8.189 68.380 12.448 1.00 7.99 N ATOM 181 CA CYS E 42 8.428 67.816 13.781 1.00 8.31 C ATOM 182 C CYS E 42 8.060 66.344 13.809 1.00 9.82 C ATOM 183 O CYS E 42 7.405 65.832 12.900 1.00 9.92 O ATOM 184 CB CYS E 42 7.575 68.531 14.847 1.00 8.36 C ATOM 185 SG CYS E 42 8.241 70.043 15.602 1.00 8.77 S ATOM 186 N GLY E 43 8.490 65.664 14.869 1.00 9.09 N ATOM 187 CA GLY E 43 8.171 64.266 15.043 1.00 8.73 C ATOM 188 C GLY E 43 7.203 64.162 16.209 1.00 8.81 C ATOM 189 O GLY E 43 6.784 65.183 16.772 1.00 8.42 O ATOM 190 N GLY E 44 6.844 62.931 16.550 1.00 9.18 N ATOM 191 CA GLY E 44 5.935 62.680 17.655 1.00 9.67 C ATOM 192 C GLY E 44 5.896 61.197 17.958 1.00 9.25 C ATOM 193 O GLY E 44 6.406 60.390 17.183 1.00 9.33 O ATOM 194 N SER E 45 5.291 60.837 19.089 1.00 9.95 N ATOM 195 CA SER E 45 5.186 59.440 19.497 1.00 10.11 C ATOM 196 C SER E 45 3.739 59.057 19.765 1.00 9.43 C ATOM 197 O SER E 45 3.056 59.702 20.558 1.00 11.49 O ATOM 198 CB SER E 45 6.008 59.190 20.759 1.00 10.77 C ATOM 199 OG SER E 45 7.360 59.558 20.559 1.00 10.81 O ATOM 200 N LEU E 46 3.285 58.005 19.097 1.00 11.23 N ATOM 201 CA LEU E 46 1.919 57.520 19.263 1.00 11.70 C ATOM 202 C LEU E 46 1.819 56.779 20.594 1.00 12.27 C ATOM 203 O LEU E 46 2.550 55.818 20.818 1.00 11.94 O ATOM 204 CB LEU E 46 1.574 56.558 18.126 1.00 12.37 C ATOM 205 CG LEU E 46 0.115 56.109 18.056 1.00 12.64 C ATOM 206 CD1 LEU E 46 -0.759 57.289 17.649 1.00 14.25 C ATOM 207 CD2 LEU E 46 -0.022 54.973 17.061 1.00 12.89 C ATOM 208 N ILE E 47 0.932 57.231 21.480 1.00 13.89 N ATOM 209 CA ILE E 47 0.773 56.566 22.773 1.00 14.73 C ATOM 210 C ILE E 47 -0.498 55.724 22.883 1.00 16.52 C ATOM 211 O ILE E 47 -0.661 54.960 23.833 1.00 16.75 O ATOM 212 CB ILE E 47 0.923 57.535 23.959 1.00 16.09 C ATOM 213 CG1 ILE E 47 -0.087 58.674 23.864 1.00 16.42 C ATOM 214 CG2 ILE E 47 2.351 58.074 24.008 1.00 15.99 C ATOM 215 CD1 ILE E 47 -0.090 59.562 25.090 1.00 16.30 C ATOM 216 N ASN E 48 -1.400 55.901 21.921 1.00 17.61 N ATOM 217 CA ASN E 48 -2.633 55.120 21.806 1.00 18.30 C ATOM 218 C ASN E 48 -3.259 55.427 20.442 1.00 18.24 C ATOM 219 O ASN E 48 -2.803 56.340 19.751 1.00 16.96 O ATOM 220 CB ASN E 48 -3.585 55.280 23.023 1.00 21.68 C ATOM 221 CG ASN E 48 -4.475 56.509 22.965 1.00 24.03 C ATOM 222 OD1 ASN E 48 -4.535 57.221 21.973 1.00 27.45 O ATOM 223 ND2 ASN E 48 -5.197 56.744 24.052 1.00 27.35 N ATOM 224 N SER E 49 -4.275 54.668 20.042 1.00 17.63 N ATOM 225 CA SER E 49 -4.900 54.858 18.731 1.00 17.71 C ATOM 226 C SER E 49 -5.367 56.268 18.377 1.00 16.64 C ATOM 227 O SER E 49 -5.520 56.582 17.197 1.00 16.76 O ATOM 228 CB SER E 49 -6.063 53.881 18.541 1.00 18.40 C ATOM 229 OG SER E 49 -7.154 54.221 19.375 1.00 20.31 O ATOM 230 N GLN E 50 -5.572 57.122 19.375 1.00 15.84 N ATOM 231 CA GLN E 50 -6.049 58.478 19.114 1.00 16.10 C ATOM 232 C GLN E 50 -5.165 59.608 19.637 1.00 14.26 C ATOM 233 O GLN E 50 -5.512 60.776 19.473 1.00 14.46 O ATOM 234 CB GLN E 50 -7.445 58.664 19.717 1.00 18.86 C ATOM 235 CG GLN E 50 -8.526 57.762 19.158 1.00 22.44 C ATOM 236 CD GLN E 50 -9.835 57.916 19.910 1.00 24.76 C ATOM 237 OE1 GLN E 50 -10.698 58.706 19.526 1.00 27.84 O ATOM 238 NE2 GLN E 50 -9.980 57.173 21.002 1.00 25.71 N ATOM 239 N TRP E 51 -4.048 59.279 20.283 1.00 13.08 N ATOM 240 CA TRP E 51 -3.195 60.321 20.844 1.00 12.04 C ATOM 241 C TRP E 51 -1.707 60.217 20.554 1.00 11.21 C ATOM 242 O TRP E 51 -1.129 59.130 20.535 1.00 11.64 O ATOM 243 CB TRP E 51 -3.424 60.441 22.356 1.00 12.07 C ATOM 244 CG TRP E 51 -4.794 60.951 22.710 1.00 11.56 C ATOM 245 CD1 TRP E 51 -5.930 60.207 22.873 1.00 13.61 C ATOM 246 CD2 TRP E 51 -5.165 62.310 22.966 1.00 12.07 C ATOM 247 NE1 TRP E 51 -6.982 61.020 23.218 1.00 11.76 N ATOM 248 CE2 TRP E 51 -6.543 62.315 23.284 1.00 11.21 C ATOM 249 CE3 TRP E 51 -4.468 63.527 22.960 1.00 9.80 C ATOM 250 CZ2 TRP E 51 -7.234 63.489 23.599 1.00 10.80 C ATOM 251 CZ3 TRP E 51 -5.152 64.695 23.272 1.00 11.14 C ATOM 252 CH2 TRP E 51 -6.528 64.666 23.588 1.00 12.78 C ATOM 253 N VAL E 52 -1.110 61.385 20.334 1.00 11.05 N ATOM 254 CA VAL E 52 0.310 61.524 20.033 1.00 10.45 C ATOM 255 C VAL E 52 0.965 62.515 20.995 1.00 9.86 C ATOM 256 O VAL E 52 0.378 63.537 21.353 1.00 9.61 O ATOM 257 CB VAL E 52 0.505 62.038 18.571 1.00 10.40 C ATOM 258 CG1 VAL E 52 1.947 62.497 18.341 1.00 10.68 C ATOM 259 CG2 VAL E 52 0.147 60.948 17.578 1.00 10.86 C ATOM 260 N VAL E 53 2.175 62.188 21.443 1.00 10.85 N ATOM 261 CA VAL E 53 2.931 63.070 22.324 1.00 11.14 C ATOM 262 C VAL E 53 4.005 63.745 21.472 1.00 9.70 C ATOM 263 O VAL E 53 4.663 63.087 20.671 1.00 10.92 O ATOM 264 CB VAL E 53 3.637 62.287 23.460 1.00 13.15 C ATOM 265 CG1 VAL E 53 4.553 63.214 24.255 1.00 15.61 C ATOM 266 CG2 VAL E 53 2.613 61.676 24.382 1.00 15.59 C ATOM 267 N SER E 54 4.143 65.054 21.625 1.00 9.49 N ATOM 268 CA SER E 54 5.149 65.815 20.887 1.00 9.72 C ATOM 269 C SER E 54 5.619 66.969 21.773 1.00 10.61 C ATOM 270 O SER E 54 5.332 66.996 22.975 1.00 10.35 O ATOM 271 CB SER E 54 4.561 66.338 19.570 1.00 11.43 C ATOM 272 OG SER E 54 5.562 66.936 18.754 1.00 10.88 O ATOM 273 N ALA E 55 6.367 67.905 21.197 1.00 8.78 N ATOM 274 CA ALA E 55 6.860 69.049 21.950 1.00 9.06 C ATOM 275 C ALA E 55 5.905 70.227 21.850 1.00 9.59 C ATOM 276 O ALA E 55 5.219 70.398 20.839 1.00 9.39 O ATOM 277 CB ALA E 55 8.245 69.458 21.446 1.00 9.21 C ATOM 278 N ALA E 56 5.873 71.056 22.887 1.00 8.01 N ATOM 279 CA ALA E 56 5.012 72.224 22.883 1.00 8.91 C ATOM 280 C ALA E 56 5.441 73.209 21.800 1.00 9.14 C ATOM 281 O ALA E 56 4.597 73.870 21.197 1.00 9.87 O ATOM 282 CB ALA E 56 5.026 72.902 24.239 1.00 10.08 C ATOM 283 N HIS E 57 6.745 73.303 21.541 1.00 9.08 N ATOM 284 CA HIS E 57 7.209 74.236 20.517 1.00 7.70 C ATOM 285 C HIS E 57 6.866 73.754 19.108 1.00 9.60 C ATOM 286 O HIS E 57 7.089 74.471 18.129 1.00 9.66 O ATOM 287 CB HIS E 57 8.704 74.576 20.675 1.00 9.74 C ATOM 288 CG HIS E 57 9.635 73.468 20.298 1.00 9.43 C ATOM 289 ND1 HIS E 57 10.147 72.579 21.217 1.00 10.75 N ATOM 290 CD2 HIS E 57 10.169 73.126 19.102 1.00 9.02 C ATOM 291 CE1 HIS E 57 10.957 71.734 20.603 1.00 10.66 C ATOM 292 NE2 HIS E 57 10.988 72.045 19.320 1.00 10.19 N ATOM 293 N CYS E 58 6.311 72.546 19.018 1.00 8.72 N ATOM 294 CA CYS E 58 5.880 71.988 17.739 1.00 7.82 C ATOM 295 C CYS E 58 4.422 72.357 17.453 1.00 9.72 C ATOM 296 O CYS E 58 3.859 71.901 16.457 1.00 10.66 O ATOM 297 CB CYS E 58 6.040 70.467 17.685 1.00 9.80 C ATOM 298 SG CYS E 58 7.755 69.869 17.575 1.00 7.45 S ATOM 299 N ATYR E 59 3.802 73.149 18.327 0.50 8.95 N ATOM 300 N BTYR E 59 3.815 73.164 18.321 0.50 10.43 N ATOM 301 CA ATYR E 59 2.423 73.556 18.080 0.50 9.46 C ATOM 302 CA BTYR E 59 2.431 73.571 18.109 0.50 12.11 C ATOM 303 C ATYR E 59 2.401 74.395 16.809 0.50 9.72 C ATOM 304 C BTYR E 59 2.316 74.342 16.802 0.50 12.77 C ATOM 305 O ATYR E 59 3.083 75.419 16.713 0.50 10.07 O ATOM 306 O BTYR E 59 3.114 75.236 16.520 0.50 12.99 O ATOM 307 CB ATYR E 59 1.827 74.377 19.229 0.50 10.20 C ATOM 308 CB BTYR E 59 1.908 74.444 19.256 0.50 13.57 C ATOM 309 CG ATYR E 59 0.492 74.976 18.832 0.50 11.54 C ATOM 310 CG BTYR E 59 0.482 74.910 19.028 0.50 16.00 C ATOM 311 CD1ATYR E 59 -0.661 74.194 18.809 0.50 12.36 C ATOM 312 CD1BTYR E 59 -0.597 74.149 19.472 0.50 17.33 C ATOM 313 CD2ATYR E 59 0.405 76.291 18.368 0.50 13.77 C ATOM 314 CD2BTYR E 59 0.212 76.084 18.321 0.50 17.94 C ATOM 315 CE1ATYR E 59 -1.865 74.700 18.324 0.50 14.11 C ATOM 316 CE1BTYR E 59 -1.906 74.540 19.217 0.50 19.46 C ATOM 317 CE2ATYR E 59 -0.793 76.806 17.878 0.50 14.73 C ATOM 318 CE2BTYR E 59 -1.096 76.482 18.057 0.50 19.89 C ATOM 319 CZ ATYR E 59 -1.921 76.003 17.857 0.50 15.24 C ATOM 320 CZ BTYR E 59 -2.150 75.704 18.509 0.50 20.25 C ATOM 321 OH ATYR E 59 -3.103 76.493 17.351 0.50 16.99 O ATOM 322 OH BTYR E 59 -3.448 76.079 18.246 0.50 22.74 O ATOM 323 N ALYS E 60 1.590 73.965 15.852 0.50 10.67 N ATOM 324 N BLYS E 60 1.304 73.984 16.022 0.50 13.59 N ATOM 325 CA ALYS E 60 1.475 74.658 14.578 0.50 12.31 C ATOM 326 CA BLYS E 60 1.030 74.610 14.737 0.50 15.34 C ATOM 327 C ALYS E 60 0.029 74.547 14.118 0.50 13.37 C ATOM 328 C BLYS E 60 -0.405 74.283 14.359 0.50 15.96 C ATOM 329 O ALYS E 60 -0.744 73.758 14.666 0.50 13.35 O ATOM 330 O BLYS E 60 -0.909 73.207 14.687 0.50 16.01 O ATOM 331 CB ALYS E 60 2.397 73.987 13.557 0.50 12.37 C ATOM 332 CB BLYS E 60 1.964 74.050 13.658 0.50 16.06 C ATOM 333 CG ALYS E 60 2.914 74.896 12.466 0.50 12.47 C ATOM 334 CG BLYS E 60 3.073 74.985 13.217 0.50 16.48 C ATOM 335 CD ALYS E 60 3.797 74.124 11.503 0.50 12.98 C ATOM 336 CD BLYS E 60 3.854 74.373 12.063 0.50 15.89 C ATOM 337 CE ALYS E 60 4.775 75.031 10.778 0.50 13.03 C ATOM 338 CE BLYS E 60 4.896 75.329 11.514 0.50 15.62 C ATOM 339 NZ ALYS E 60 4.139 76.244 10.205 0.50 14.32 N ATOM 340 NZ BLYS E 60 4.303 76.565 10.925 0.50 12.18 N ATOM 341 N ASER E 61 -0.343 75.351 13.126 0.50 14.48 N ATOM 342 N BSER E 61 -1.071 75.226 13.702 0.50 17.40 N ATOM 343 CA ASER E 61 -1.702 75.310 12.599 0.50 16.07 C ATOM 344 CA BSER E 61 -2.442 75.018 13.259 0.50 17.95 C ATOM 345 C ASER E 61 -1.847 74.185 11.576 0.50 15.54 C ATOM 346 C BSER E 61 -2.416 74.218 11.956 0.50 17.68 C ATOM 347 O ASER E 61 -0.867 73.778 10.947 0.50 15.73 O ATOM 348 O BSER E 61 -1.484 74.352 11.160 0.50 18.77 O ATOM 349 CB ASER E 61 -2.080 76.651 11.963 0.50 17.30 C ATOM 350 CB BSER E 61 -3.149 76.364 13.049 0.50 18.34 C ATOM 351 OG ASER E 61 -1.246 76.959 10.859 0.50 19.78 O ATOM 352 OG BSER E 61 -2.441 77.191 12.142 0.50 20.37 O ATOM 353 N AGLY E 62 -3.068 73.668 11.456 0.50 15.83 N ATOM 354 N BGLY E 62 -3.410 73.353 11.769 0.50 17.61 N ATOM 355 CA AGLY E 62 -3.373 72.605 10.509 0.50 15.79 C ATOM 356 CA BGLY E 62 -3.486 72.550 10.558 0.50 16.82 C ATOM 357 C AGLY E 62 -2.442 71.407 10.491 0.50 15.27 C ATOM 358 C BGLY E 62 -2.558 71.348 10.498 0.50 15.85 C ATOM 359 O AGLY E 62 -1.986 70.992 9.424 0.50 15.77 O ATOM 360 O BGLY E 62 -2.210 70.880 9.413 0.50 16.25 O ATOM 361 N ILE E 63 -2.162 70.838 11.660 1.00 13.98 N ATOM 362 CA ILE E 63 -1.276 69.680 11.727 1.00 12.55 C ATOM 363 C ILE E 63 -1.920 68.399 11.206 1.00 12.46 C ATOM 364 O ILE E 63 -3.079 68.100 11.508 1.00 12.70 O ATOM 365 CB ILE E 63 -0.794 69.401 13.178 1.00 12.96 C ATOM 366 CG1 ILE E 63 0.187 70.480 13.630 1.00 13.07 C ATOM 367 CG2 ILE E 63 -0.146 68.019 13.278 1.00 11.90 C ATOM 368 CD1 ILE E 63 0.636 70.320 15.079 1.00 12.08 C ATOM 369 N GLN E 64 -1.163 67.672 10.391 1.00 10.78 N ATOM 370 CA GLN E 64 -1.593 66.382 9.877 1.00 10.64 C ATOM 371 C GLN E 64 -0.560 65.382 10.386 1.00 11.58 C ATOM 372 O GLN E 64 0.644 65.572 10.199 1.00 11.35 O ATOM 373 CB GLN E 64 -1.623 66.351 8.349 1.00 12.52 C ATOM 374 CG GLN E 64 -2.087 65.009 7.805 1.00 13.58 C ATOM 375 CD GLN E 64 -2.036 64.936 6.291 1.00 15.67 C ATOM 376 OE1 GLN E 64 -3.072 64.876 5.625 1.00 19.13 O ATOM 377 NE2 GLN E 64 -0.832 64.933 5.742 1.00 14.91 N ATOM 378 N VAL E 65 -1.024 64.359 11.090 1.00 10.08 N ATOM 379 CA VAL E 65 -0.127 63.342 11.621 1.00 10.26 C ATOM 380 C VAL E 65 0.052 62.229 10.604 1.00 10.42 C ATOM 381 O VAL E 65 -0.923 61.679 10.084 1.00 11.52 O ATOM 382 CB VAL E 65 -0.665 62.760 12.938 1.00 9.84 C ATOM 383 CG1 VAL E 65 0.280 61.688 13.480 1.00 11.82 C ATOM 384 CG2 VAL E 65 -0.847 63.874 13.952 1.00 10.49 C ATOM 385 N ARG E 66 1.305 61.920 10.294 1.00 9.95 N ATOM 386 CA ARG E 66 1.602 60.869 9.338 1.00 11.14 C ATOM 387 C ARG E 66 2.216 59.658 10.027 1.00 12.63 C ATOM 388 O ARG E 66 3.328 59.719 10.558 1.00 11.66 O ATOM 389 CB ARG E 66 2.490 61.414 8.218 1.00 11.74 C ATOM 390 CG ARG E 66 1.780 62.497 7.425 1.00 11.11 C ATOM 391 CD ARG E 66 2.575 63.000 6.230 1.00 12.91 C ATOM 392 NE ARG E 66 1.749 63.891 5.417 1.00 12.36 N ATOM 393 CZ ARG E 66 2.017 64.230 4.158 1.00 12.89 C ATOM 394 NH1 ARG E 66 3.103 63.762 3.556 1.00 12.77 N ATOM 395 NH2 ARG E 66 1.163 64.989 3.482 1.00 13.55 N ATOM 396 N LEU E 67 1.447 58.574 10.051 1.00 13.10 N ATOM 397 CA LEU E 67 1.860 57.326 10.684 1.00 13.74 C ATOM 398 C LEU E 67 2.250 56.274 9.647 1.00 14.69 C ATOM 399 O LEU E 67 1.841 56.357 8.489 1.00 15.96 O ATOM 400 CB LEU E 67 0.729 56.785 11.568 1.00 13.84 C ATOM 401 CG LEU E 67 0.108 57.764 12.570 1.00 12.61 C ATOM 402 CD1 LEU E 67 -1.130 58.422 11.962 1.00 13.94 C ATOM 403 CD2 LEU E 67 -0.274 57.019 13.844 1.00 14.17 C ATOM 404 N GLY E 69 3.041 55.290 10.073 1.00 13.88 N ATOM 405 CA GLY E 69 3.478 54.228 9.179 1.00 14.90 C ATOM 406 C GLY E 69 4.463 54.679 8.116 1.00 15.60 C ATOM 407 O GLY E 69 4.635 54.018 7.092 1.00 16.92 O ATOM 408 N GLU E 70 5.136 55.791 8.386 1.00 14.78 N ATOM 409 CA GLU E 70 6.101 56.379 7.467 1.00 14.93 C ATOM 410 C GLU E 70 7.533 55.872 7.577 1.00 15.63 C ATOM 411 O GLU E 70 8.003 55.523 8.662 1.00 15.77 O ATOM 412 CB GLU E 70 6.150 57.895 7.693 1.00 14.84 C ATOM 413 CG GLU E 70 4.968 58.684 7.162 1.00 14.43 C ATOM 414 CD GLU E 70 5.085 58.989 5.680 1.00 13.13 C ATOM 415 OE1 GLU E 70 4.514 60.010 5.247 1.00 13.59 O ATOM 416 OE2 GLU E 70 5.746 58.214 4.953 1.00 13.82 O ATOM 417 N ASP E 71 8.203 55.801 6.429 1.00 15.69 N ATOM 418 CA ASP E 71 9.621 55.468 6.380 1.00 15.17 C ATOM 419 C ASP E 71 10.190 56.551 5.480 1.00 15.26 C ATOM 420 O ASP E 71 10.759 57.524 5.968 1.00 15.69 O ATOM 421 CB ASP E 71 9.929 54.087 5.816 1.00 17.02 C ATOM 422 CG ASP E 71 11.403 53.741 5.958 1.00 19.10 C ATOM 423 OD1 ASP E 71 11.989 54.088 7.008 1.00 19.10 O ATOM 424 OD2 ASP E 71 11.988 53.157 5.024 1.00 20.46 O ATOM 425 N ASN E 72 10.006 56.406 4.169 1.00 15.44 N ATOM 426 CA ASN E 72 10.465 57.432 3.242 1.00 15.34 C ATOM 427 C ASN E 72 9.401 58.527 3.318 1.00 15.94 C ATOM 428 O ASN E 72 8.270 58.354 2.855 1.00 15.47 O ATOM 429 CB ASN E 72 10.583 56.888 1.814 1.00 14.90 C ATOM 430 CG ASN E 72 11.177 57.904 0.850 1.00 14.38 C ATOM 431 OD1 ASN E 72 10.897 59.102 0.934 1.00 14.96 O ATOM 432 ND2 ASN E 72 12.008 57.428 -0.072 1.00 17.60 N ATOM 433 N ILE E 73 9.781 59.639 3.935 1.00 16.58 N ATOM 434 CA ILE E 73 8.908 60.788 4.144 1.00 18.13 C ATOM 435 C ILE E 73 8.499 61.528 2.863 1.00 18.19 C ATOM 436 O ILE E 73 7.519 62.276 2.854 1.00 16.26 O ATOM 437 CB ILE E 73 9.584 61.769 5.145 1.00 19.47 C ATOM 438 CG1 ILE E 73 8.534 62.531 5.944 1.00 22.61 C ATOM 439 CG2 ILE E 73 10.541 62.711 4.433 1.00 21.49 C ATOM 440 CD1 ILE E 73 7.800 61.657 6.935 1.00 23.11 C ATOM 441 N ASN E 74 9.234 61.295 1.779 1.00 17.99 N ATOM 442 CA ASN E 74 8.954 61.967 0.513 1.00 19.18 C ATOM 443 C ASN E 74 8.225 61.119 -0.529 1.00 20.14 C ATOM 444 O ASN E 74 7.840 61.630 -1.580 1.00 21.47 O ATOM 445 CB ASN E 74 10.256 62.516 -0.084 1.00 18.82 C ATOM 446 CG ASN E 74 10.889 63.591 0.786 1.00 19.03 C ATOM 447 OD1 ASN E 74 10.260 64.601 1.100 1.00 21.43 O ATOM 448 ND2 ASN E 74 12.139 63.377 1.180 1.00 19.48 N ATOM 449 N VAL E 75 8.014 59.840 -0.232 1.00 20.04 N ATOM 450 CA VAL E 75 7.352 58.937 -1.173 1.00 21.61 C ATOM 451 C VAL E 75 6.277 58.060 -0.526 1.00 22.90 C ATOM 452 O VAL E 75 6.447 57.587 0.594 1.00 22.26 O ATOM 453 CB VAL E 75 8.391 58.005 -1.859 1.00 21.70 C ATOM 454 CG1 VAL E 75 7.701 57.018 -2.794 1.00 22.42 C ATOM 455 CG2 VAL E 75 9.420 58.827 -2.622 1.00 22.23 C ATOM 456 N VAL E 76 5.170 57.853 -1.238 1.00 24.11 N ATOM 457 CA VAL E 76 4.082 57.004 -0.753 1.00 25.62 C ATOM 458 C VAL E 76 4.505 55.547 -0.955 1.00 26.50 C ATOM 459 O VAL E 76 4.649 55.087 -2.088 1.00 27.34 O ATOM 460 CB VAL E 76 2.764 57.281 -1.516 1.00 27.34 C ATOM 461 CG1 VAL E 76 1.686 56.295 -1.092 1.00 26.69 C ATOM 462 CG2 VAL E 76 2.302 58.711 -1.257 1.00 25.72 C ATOM 463 N GLU E 77 4.719 54.832 0.146 1.00 27.01 N ATOM 464 CA GLU E 77 5.157 53.441 0.086 1.00 28.23 C ATOM 465 C GLU E 77 4.083 52.386 0.362 1.00 29.67 C ATOM 466 O GLU E 77 4.351 51.185 0.268 1.00 30.46 O ATOM 467 CB GLU E 77 6.373 53.238 0.995 1.00 27.94 C ATOM 468 CG GLU E 77 7.586 54.065 0.568 1.00 27.28 C ATOM 469 CD GLU E 77 8.792 53.866 1.466 1.00 27.90 C ATOM 470 OE1 GLU E 77 8.709 54.208 2.663 1.00 26.14 O ATOM 471 OE2 GLU E 77 9.830 53.378 0.970 1.00 28.33 O ATOM 472 N GLY E 78 2.880 52.831 0.723 1.00 30.40 N ATOM 473 CA GLY E 78 1.788 51.897 0.962 1.00 30.94 C ATOM 474 C GLY E 78 1.359 51.581 2.384 1.00 31.17 C ATOM 475 O GLY E 78 0.291 51.001 2.584 1.00 33.10 O ATOM 476 N ASN E 79 2.166 51.949 3.374 1.00 29.64 N ATOM 477 CA ASN E 79 1.819 51.664 4.764 1.00 27.90 C ATOM 478 C ASN E 79 1.464 52.919 5.559 1.00 25.52 C ATOM 479 O ASN E 79 1.313 52.872 6.781 1.00 24.55 O ATOM 480 CB ASN E 79 2.965 50.907 5.442 1.00 30.24 C ATOM 481 CG ASN E 79 3.366 49.654 4.679 1.00 31.95 C ATOM 482 OD1 ASN E 79 2.832 48.569 4.913 1.00 33.29 O ATOM 483 ND2 ASN E 79 4.304 49.803 3.749 1.00 33.15 N ATOM 484 N GLU E 80 1.274 54.030 4.855 1.00 22.04 N ATOM 485 CA GLU E 80 0.952 55.295 5.505 1.00 20.23 C ATOM 486 C GLU E 80 -0.500 55.502 5.896 1.00 19.19 C ATOM 487 O GLU E 80 -1.425 54.999 5.256 1.00 19.84 O ATOM 488 CB GLU E 80 1.366 56.480 4.630 1.00 20.04 C ATOM 489 CG GLU E 80 2.840 56.541 4.283 1.00 20.19 C ATOM 490 CD GLU E 80 3.151 55.959 2.921 1.00 19.67 C ATOM 491 OE1 GLU E 80 2.337 55.168 2.397 1.00 20.62 O ATOM 492 OE2 GLU E 80 4.215 56.305 2.372 1.00 18.60 O ATOM 493 N GLN E 81 -0.670 56.288 6.950 1.00 18.30 N ATOM 494 CA GLN E 81 -1.970 56.682 7.463 1.00 16.86 C ATOM 495 C GLN E 81 -1.815 58.167 7.751 1.00 16.99 C ATOM 496 O GLN E 81 -0.950 58.566 8.535 1.00 17.01 O ATOM 497 CB GLN E 81 -2.324 55.933 8.748 1.00 17.55 C ATOM 498 CG GLN E 81 -2.703 54.480 8.544 1.00 18.36 C ATOM 499 CD GLN E 81 -3.144 53.820 9.830 1.00 18.48 C ATOM 500 OE1 GLN E 81 -4.064 54.294 10.502 1.00 19.23 O ATOM 501 NE2 GLN E 81 -2.485 52.726 10.187 1.00 18.26 N ATOM 502 N PHE E 82 -2.567 58.984 7.022 1.00 15.38 N ATOM 503 CA PHE E 82 -2.535 60.431 7.192 1.00 15.41 C ATOM 504 C PHE E 82 -3.801 60.825 7.937 1.00 16.42 C ATOM 505 O PHE E 82 -4.906 60.689 7.409 1.00 17.12 O ATOM 506 CB PHE E 82 -2.506 61.147 5.833 1.00 16.16 C ATOM 507 CG PHE E 82 -1.224 60.966 5.055 1.00 17.11 C ATOM 508 CD1 PHE E 82 -1.068 61.584 3.817 1.00 18.58 C ATOM 509 CD2 PHE E 82 -0.177 60.195 5.547 1.00 18.30 C ATOM 510 CE1 PHE E 82 0.108 61.437 3.086 1.00 17.99 C ATOM 511 CE2 PHE E 82 1.003 60.043 4.821 1.00 17.27 C ATOM 512 CZ PHE E 82 1.144 60.665 3.588 1.00 17.61 C ATOM 513 N ILE E 83 -3.645 61.300 9.169 1.00 14.17 N ATOM 514 CA ILE E 83 -4.791 61.691 9.980 1.00 13.55 C ATOM 515 C ILE E 83 -4.592 63.080 10.568 1.00 13.31 C ATOM 516 O ILE E 83 -3.576 63.352 11.207 1.00 12.75 O ATOM 517 CB ILE E 83 -5.025 60.677 11.130 1.00 12.30 C ATOM 518 CG1 ILE E 83 -5.131 59.256 10.564 1.00 14.14 C ATOM 519 CG2 ILE E 83 -6.282 61.046 11.912 1.00 13.39 C ATOM 520 CD1 ILE E 83 -5.240 58.171 11.613 1.00 15.23 C ATOM 521 N SER E 84 -5.560 63.962 10.341 1.00 13.50 N ATOM 522 CA SER E 84 -5.484 65.325 10.851 1.00 13.76 C ATOM 523 C SER E 84 -5.621 65.371 12.361 1.00 13.77 C ATOM 524 O SER E 84 -6.245 64.498 12.967 1.00 13.87 O ATOM 525 CB SER E 84 -6.581 66.201 10.239 1.00 16.58 C ATOM 526 OG SER E 84 -6.379 66.385 8.852 1.00 20.35 O ATOM 527 N ALA E 85 -5.018 66.387 12.961 1.00 13.01 N ATOM 528 CA ALA E 85 -5.109 66.585 14.399 1.00 13.61 C ATOM 529 C ALA E 85 -6.457 67.247 14.659 1.00 15.14 C ATOM 530 O ALA E 85 -6.836 68.183 13.949 1.00 15.71 O ATOM 531 CB ALA E 85 -3.994 67.494 14.879 1.00 14.46 C ATOM 532 N SER E 86 -7.203 66.721 15.624 1.00 14.39 N ATOM 533 CA SER E 86 -8.494 67.299 15.984 1.00 14.13 C ATOM 534 C SER E 86 -8.325 68.214 17.188 1.00 13.91 C ATOM 535 O SER E 86 -9.159 69.079 17.447 1.00 14.82 O ATOM 536 CB SER E 86 -9.517 66.204 16.293 1.00 14.43 C ATOM 537 OG SER E 86 -9.033 65.299 17.266 1.00 13.50 O ATOM 538 N LYS E 87 -7.247 67.996 17.939 1.00 14.24 N ATOM 539 CA LYS E 87 -6.935 68.797 19.117 1.00 15.07 C ATOM 540 C LYS E 87 -5.423 68.825 19.315 1.00 14.47 C ATOM 541 O LYS E 87 -4.737 67.849 19.024 1.00 15.01 O ATOM 542 CB LYS E 87 -7.588 68.202 20.375 1.00 16.62 C ATOM 543 CG LYS E 87 -9.106 68.215 20.366 1.00 18.19 C ATOM 544 CD LYS E 87 -9.694 67.578 21.615 1.00 19.62 C ATOM 545 CE LYS E 87 -11.214 67.580 21.530 1.00 21.19 C ATOM 546 NZ LYS E 87 -11.879 67.029 22.743 1.00 20.79 N ATOM 547 N ASER E 88 -4.916 69.957 19.794 0.50 15.84 N ATOM 548 N BSER E 88 -4.921 69.958 19.797 0.50 16.25 N ATOM 549 CA ASER E 88 -3.489 70.132 20.059 0.50 17.47 C ATOM 550 CA BSER E 88 -3.496 70.145 20.059 0.50 18.28 C ATOM 551 C ASER E 88 -3.357 70.864 21.387 0.50 18.11 C ATOM 552 C BSER E 88 -3.367 70.869 21.393 0.50 18.56 C ATOM 553 O ASER E 88 -3.409 72.096 21.441 0.50 20.38 O ATOM 554 O BSER E 88 -3.430 72.099 21.456 0.50 20.77 O ATOM 555 CB ASER E 88 -2.817 70.930 18.935 0.50 17.48 C ATOM 556 CB BSER E 88 -2.845 70.961 18.938 0.50 18.94 C ATOM 557 OG ASER E 88 -2.839 70.210 17.711 0.50 17.32 O ATOM 558 OG BSER E 88 -3.535 72.180 18.725 0.50 21.37 O ATOM 559 N ILE E 89 -3.219 70.087 22.458 1.00 17.47 N ATOM 560 CA ILE E 89 -3.107 70.618 23.811 1.00 16.46 C ATOM 561 C ILE E 89 -1.675 70.810 24.299 1.00 14.86 C ATOM 562 O ILE E 89 -0.985 69.843 24.628 1.00 15.17 O ATOM 563 CB ILE E 89 -3.851 69.698 24.807 1.00 17.11 C ATOM 564 CG1 ILE E 89 -5.282 69.449 24.312 1.00 18.91 C ATOM 565 CG2 ILE E 89 -3.862 70.317 26.198 1.00 17.68 C ATOM 566 CD1 ILE E 89 -6.001 68.342 25.038 1.00 18.26 C ATOM 567 N VAL E 90 -1.249 72.066 24.347 1.00 14.32 N ATOM 568 CA VAL E 90 0.086 72.422 24.826 1.00 14.39 C ATOM 569 C VAL E 90 0.006 72.425 26.352 1.00 16.14 C ATOM 570 O VAL E 90 -1.012 72.833 26.910 1.00 16.30 O ATOM 571 CB VAL E 90 0.477 73.840 24.343 1.00 14.67 C ATOM 572 CG1 VAL E 90 1.800 74.276 24.955 1.00 16.55 C ATOM 573 CG2 VAL E 90 0.572 73.866 22.824 1.00 15.12 C ATOM 574 N HIS E 91 1.055 71.964 27.032 1.00 14.66 N ATOM 575 CA HIS E 91 1.029 71.960 28.494 1.00 14.79 C ATOM 576 C HIS E 91 0.697 73.374 28.969 1.00 15.19 C ATOM 577 O HIS E 91 1.286 74.350 28.501 1.00 16.01 O ATOM 578 CB HIS E 91 2.372 71.515 29.070 1.00 14.74 C ATOM 579 CG HIS E 91 2.314 71.196 30.530 1.00 14.07 C ATOM 580 ND1 HIS E 91 2.341 72.169 31.506 1.00 15.07 N ATOM 581 CD2 HIS E 91 2.188 70.014 31.179 1.00 15.58 C ATOM 582 CE1 HIS E 91 2.232 71.599 32.693 1.00 15.16 C ATOM 583 NE2 HIS E 91 2.138 70.293 32.522 1.00 16.09 N ATOM 584 N PRO E 92 -0.280 73.506 29.885 1.00 16.12 N ATOM 585 CA PRO E 92 -0.680 74.820 30.399 1.00 17.34 C ATOM 586 C PRO E 92 0.432 75.657 31.028 1.00 17.33 C ATOM 587 O PRO E 92 0.310 76.881 31.129 1.00 18.93 O ATOM 588 CB PRO E 92 -1.786 74.475 31.405 1.00 17.24 C ATOM 589 CG PRO E 92 -1.432 73.091 31.849 1.00 16.17 C ATOM 590 CD PRO E 92 -1.039 72.432 30.549 1.00 16.40 C ATOM 591 N SER E 93 1.524 75.008 31.424 1.00 17.75 N ATOM 592 CA SER E 93 2.643 75.713 32.036 1.00 18.32 C ATOM 593 C SER E 93 3.856 75.851 31.118 1.00 17.49 C ATOM 594 O SER E 93 4.944 76.206 31.574 1.00 16.52 O ATOM 595 CB SER E 93 3.047 75.035 33.347 1.00 19.22 C ATOM 596 OG SER E 93 1.982 75.086 34.285 1.00 21.76 O ATOM 597 N TYR E 94 3.671 75.590 29.825 1.00 16.13 N ATOM 598 CA TYR E 94 4.774 75.716 28.878 1.00 15.65 C ATOM 599 C TYR E 94 5.286 77.153 28.880 1.00 15.02 C ATOM 600 O TYR E 94 4.505 78.106 28.806 1.00 15.03 O ATOM 601 CB TYR E 94 4.343 75.322 27.459 1.00 13.87 C ATOM 602 CG TYR E 94 5.396 75.619 26.409 1.00 14.19 C ATOM 603 CD1 TYR E 94 5.127 76.485 25.352 1.00 13.49 C ATOM 604 CD2 TYR E 94 6.670 75.054 26.491 1.00 12.94 C ATOM 605 CE1 TYR E 94 6.101 76.785 24.402 1.00 14.41 C ATOM 606 CE2 TYR E 94 7.649 75.344 25.547 1.00 14.25 C ATOM 607 CZ TYR E 94 7.357 76.211 24.506 1.00 14.94 C ATOM 608 OH TYR E 94 8.325 76.507 23.571 1.00 14.02 O ATOM 609 N ASN E 95 6.601 77.300 28.995 1.00 14.06 N ATOM 610 CA ASN E 95 7.231 78.612 29.000 1.00 14.21 C ATOM 611 C ASN E 95 8.055 78.698 27.718 1.00 14.81 C ATOM 612 O ASN E 95 9.030 77.967 27.555 1.00 13.31 O ATOM 613 CB ASN E 95 8.131 78.752 30.235 1.00 15.48 C ATOM 614 CG ASN E 95 8.720 80.139 30.378 1.00 17.08 C ATOM 615 OD1 ASN E 95 9.300 80.683 29.437 1.00 16.40 O ATOM 616 ND2 ASN E 95 8.588 80.719 31.568 1.00 18.27 N ATOM 617 N SER E 96 7.644 79.577 26.808 1.00 15.29 N ATOM 618 CA SER E 96 8.329 79.735 25.526 1.00 16.44 C ATOM 619 C SER E 96 9.713 80.387 25.586 1.00 16.57 C ATOM 620 O SER E 96 10.396 80.485 24.566 1.00 16.50 O ATOM 621 CB SER E 96 7.431 80.473 24.524 1.00 15.51 C ATOM 622 OG SER E 96 7.121 81.778 24.968 1.00 19.47 O ATOM 623 N AASN E 97 10.113 80.842 26.771 0.50 16.54 N ATOM 624 N BASN E 97 10.114 80.839 26.772 0.50 16.89 N ATOM 625 CA AASN E 97 11.421 81.467 26.955 0.50 16.46 C ATOM 626 CA BASN E 97 11.421 81.466 26.953 0.50 17.05 C ATOM 627 C AASN E 97 12.407 80.481 27.576 0.50 16.04 C ATOM 628 C BASN E 97 12.402 80.470 27.569 0.50 16.44 C ATOM 629 O AASN E 97 13.510 80.288 27.063 0.50 15.18 O ATOM 630 O BASN E 97 13.492 80.251 27.038 0.50 15.61 O ATOM 631 CB AASN E 97 11.308 82.711 27.842 0.50 18.04 C ATOM 632 CB BASN E 97 11.303 82.710 27.843 0.50 19.35 C ATOM 633 CG AASN E 97 10.504 83.820 27.195 0.50 19.42 C ATOM 634 CG BASN E 97 12.644 83.390 28.085 0.50 21.40 C ATOM 635 OD1AASN E 97 10.550 84.011 25.980 0.50 20.18 O ATOM 636 OD1BASN E 97 12.989 84.364 27.417 0.50 23.90 O ATOM 637 ND2AASN E 97 9.771 84.569 28.010 0.50 21.28 N ATOM 638 ND2BASN E 97 13.401 82.881 29.052 0.50 23.01 N ATOM 639 N THR E 98 12.005 79.866 28.687 1.00 15.45 N ATOM 640 CA THR E 98 12.850 78.894 29.385 1.00 14.30 C ATOM 641 C THR E 98 12.720 77.488 28.810 1.00 12.46 C ATOM 642 O THR E 98 13.560 76.623 29.070 1.00 12.96 O ATOM 643 CB THR E 98 12.501 78.814 30.883 1.00 15.09 C ATOM 644 OG1 THR E 98 11.180 78.278 31.032 1.00 15.98 O ATOM 645 CG2 THR E 98 12.569 80.190 31.525 1.00 15.48 C ATOM 646 N LEU E 99 11.638 77.262 28.064 1.00 12.18 N ATOM 647 CA LEU E 99 11.333 75.977 27.429 1.00 11.46 C ATOM 648 C LEU E 99 10.876 74.906 28.424 1.00 10.96 C ATOM 649 O LEU E 99 10.788 73.723 28.089 1.00 10.24 O ATOM 650 CB LEU E 99 12.514 75.476 26.584 1.00 10.44 C ATOM 651 CG LEU E 99 13.129 76.491 25.613 1.00 13.24 C ATOM 652 CD1 LEU E 99 14.188 75.806 24.776 1.00 12.29 C ATOM 653 CD2 LEU E 99 12.055 77.120 24.731 1.00 12.41 C ATOM 654 N ASN E 100 10.555 75.337 29.642 1.00 11.04 N ATOM 655 CA ASN E 100 10.086 74.426 30.684 1.00 12.34 C ATOM 656 C ASN E 100 8.702 73.898 30.292 1.00 11.59 C ATOM 657 O ASN E 100 7.884 74.637 29.728 1.00 11.40 O ATOM 658 CB ASN E 100 10.009 75.170 32.025 1.00 12.33 C ATOM 659 CG ASN E 100 9.843 74.234 33.217 1.00 12.16 C ATOM 660 OD1 ASN E 100 9.295 74.628 34.252 1.00 16.79 O ATOM 661 ND2 ASN E 100 10.317 73.006 33.085 1.00 9.59 N ATOM 662 N ASN E 101 8.463 72.621 30.579 1.00 11.59 N ATOM 663 CA ASN E 101 7.199 71.950 30.268 1.00 12.42 C ATOM 664 C ASN E 101 6.959 71.889 28.762 1.00 13.03 C ATOM 665 O ASN E 101 5.855 72.171 28.289 1.00 12.46 O ATOM 666 CB ASN E 101 6.021 72.650 30.956 1.00 13.02 C ATOM 667 CG ASN E 101 6.186 72.729 32.461 1.00 13.15 C ATOM 668 OD1 ASN E 101 6.279 71.708 33.139 1.00 13.60 O ATOM 669 ND2 ASN E 101 6.228 73.945 32.986 1.00 14.58 N ATOM 670 N ASP E 102 7.998 71.503 28.021 1.00 11.27 N ATOM 671 CA ASP E 102 7.925 71.406 26.562 1.00 11.22 C ATOM 672 C ASP E 102 7.266 70.104 26.119 1.00 9.39 C ATOM 673 O ASP E 102 7.921 69.196 25.601 1.00 9.69 O ATOM 674 CB ASP E 102 9.333 71.530 25.960 1.00 9.06 C ATOM 675 CG ASP E 102 9.314 71.770 24.453 1.00 11.82 C ATOM 676 OD1 ASP E 102 8.234 72.045 23.894 1.00 9.10 O ATOM 677 OD2 ASP E 102 10.391 71.687 23.827 1.00 10.81 O ATOM 678 N ILE E 103 5.953 70.021 26.319 1.00 9.16 N ATOM 679 CA ILE E 103 5.201 68.835 25.947 1.00 9.72 C ATOM 680 C ILE E 103 3.832 69.240 25.416 1.00 10.05 C ATOM 681 O ILE E 103 3.250 70.228 25.864 1.00 9.99 O ATOM 682 CB ILE E 103 5.062 67.846 27.151 1.00 10.70 C ATOM 683 CG1 ILE E 103 4.318 66.578 26.725 1.00 8.90 C ATOM 684 CG2 ILE E 103 4.385 68.531 28.327 1.00 12.27 C ATOM 685 CD1 ILE E 103 4.323 65.478 27.780 1.00 10.88 C ATOM 686 N MET E 104 3.363 68.494 24.422 1.00 10.07 N ATOM 687 CA MET E 104 2.073 68.748 23.794 1.00 10.69 C ATOM 688 C MET E 104 1.400 67.432 23.442 1.00 9.89 C ATOM 689 O MET E 104 2.056 66.471 23.047 1.00 9.31 O ATOM 690 CB MET E 104 2.258 69.592 22.522 1.00 11.91 C ATOM 691 CG MET E 104 0.996 69.731 21.666 1.00 11.10 C ATOM 692 SD MET E 104 1.197 70.819 20.235 1.00 12.38 S ATOM 693 CE MET E 104 2.266 69.839 19.210 1.00 11.33 C ATOM 694 N LEU E 105 0.081 67.387 23.614 1.00 10.04 N ATOM 695 CA LEU E 105 -0.692 66.201 23.285 1.00 9.71 C ATOM 696 C LEU E 105 -1.564 66.509 22.074 1.00 9.07 C ATOM 697 O LEU E 105 -2.230 67.540 22.031 1.00 11.62 O ATOM 698 CB LEU E 105 -1.569 65.786 24.470 1.00 12.29 C ATOM 699 CG LEU E 105 -0.796 65.398 25.732 1.00 14.92 C ATOM 700 CD1 LEU E 105 -1.759 65.108 26.865 1.00 16.27 C ATOM 701 CD2 LEU E 105 0.066 64.189 25.453 1.00 16.30 C ATOM 702 N ILE E 106 -1.523 65.620 21.089 1.00 9.24 N ATOM 703 CA ILE E 106 -2.303 65.776 19.863 1.00 10.56 C ATOM 704 C ILE E 106 -3.311 64.643 19.720 1.00 9.05 C ATOM 705 O ILE E 106 -2.946 63.466 19.761 1.00 8.88 O ATOM 706 CB ILE E 106 -1.388 65.749 18.613 1.00 11.34 C ATOM 707 CG1 ILE E 106 -0.411 66.922 18.638 1.00 13.97 C ATOM 708 CG2 ILE E 106 -2.226 65.815 17.334 1.00 12.36 C ATOM 709 CD1 ILE E 106 0.671 66.811 17.580 1.00 14.11 C ATOM 710 N LYS E 107 -4.585 65.003 19.571 1.00 11.10 N ATOM 711 CA LYS E 107 -5.627 64.006 19.382 1.00 10.82 C ATOM 712 C LYS E 107 -5.824 63.827 17.882 1.00 11.16 C ATOM 713 O LYS E 107 -5.774 64.802 17.129 1.00 11.56 O ATOM 714 CB LYS E 107 -6.949 64.446 20.017 1.00 11.43 C ATOM 715 CG LYS E 107 -8.003 63.345 19.983 1.00 12.38 C ATOM 716 CD LYS E 107 -9.315 63.762 20.623 1.00 13.00 C ATOM 717 CE LYS E 107 -10.228 62.552 20.777 1.00 16.33 C ATOM 718 NZ LYS E 107 -11.555 62.917 21.359 1.00 16.41 N ATOM 719 N LEU E 108 -5.977 62.580 17.452 1.00 11.68 N ATOM 720 CA LEU E 108 -6.189 62.268 16.043 1.00 12.17 C ATOM 721 C LEU E 108 -7.686 62.386 15.747 1.00 14.18 C ATOM 722 O LEU E 108 -8.515 61.925 16.538 1.00 13.82 O ATOM 723 CB LEU E 108 -5.683 60.858 15.733 1.00 11.62 C ATOM 724 CG LEU E 108 -4.198 60.604 16.021 1.00 11.94 C ATOM 725 CD1 LEU E 108 -3.822 59.195 15.606 1.00 13.41 C ATOM 726 CD2 LEU E 108 -3.335 61.626 15.291 1.00 12.77 C ATOM 727 N LYS E 109 -8.025 63.014 14.621 1.00 14.84 N ATOM 728 CA LYS E 109 -9.423 63.217 14.227 1.00 16.29 C ATOM 729 C LYS E 109 -10.191 61.898 14.125 1.00 17.31 C ATOM 730 O LYS E 109 -11.390 61.842 14.415 1.00 17.07 O ATOM 731 CB LYS E 109 -9.492 64.003 12.914 1.00 16.72 C ATOM 732 CG LYS E 109 -10.852 64.619 12.622 1.00 17.72 C ATOM 733 CD LYS E 109 -10.748 65.659 11.510 1.00 18.30 C ATOM 734 CE LYS E 109 -12.099 66.287 11.208 1.00 18.55 C ATOM 735 NZ LYS E 109 -13.027 65.319 10.559 1.00 19.42 N ATOM 736 N SER E 110 -9.489 60.849 13.710 1.00 16.74 N ATOM 737 CA SER E 110 -10.044 59.506 13.606 1.00 18.79 C ATOM 738 C SER E 110 -8.988 58.573 14.192 1.00 18.84 C ATOM 739 O SER E 110 -7.794 58.876 14.145 1.00 19.28 O ATOM 740 CB SER E 110 -10.356 59.137 12.150 1.00 19.95 C ATOM 741 OG SER E 110 -9.195 59.150 11.339 1.00 22.70 O ATOM 742 N ALA E 111 -9.423 57.462 14.776 1.00 19.17 N ATOM 743 CA ALA E 111 -8.498 56.513 15.383 1.00 19.42 C ATOM 744 C ALA E 111 -7.582 55.850 14.365 1.00 19.91 C ATOM 745 O ALA E 111 -8.025 55.419 13.299 1.00 20.46 O ATOM 746 CB ALA E 111 -9.266 55.455 16.165 1.00 19.61 C ATOM 747 N ALA E 112 -6.295 55.785 14.699 1.00 19.75 N ATOM 748 CA ALA E 112 -5.307 55.159 13.833 1.00 20.31 C ATOM 749 C ALA E 112 -5.479 53.647 13.867 1.00 21.43 C ATOM 750 O ALA E 112 -5.828 53.076 14.901 1.00 21.96 O ATOM 751 CB ALA E 112 -3.896 55.529 14.281 1.00 19.88 C ATOM 752 N SER E 113 -5.254 53.008 12.725 1.00 21.85 N ATOM 753 CA SER E 113 -5.362 51.562 12.628 1.00 23.14 C ATOM 754 C SER E 113 -4.060 50.935 13.118 1.00 23.57 C ATOM 755 O SER E 113 -3.004 51.117 12.511 1.00 23.21 O ATOM 756 CB SER E 113 -5.638 51.141 11.183 1.00 23.54 C ATOM 757 OG SER E 113 -5.660 49.730 11.060 1.00 27.33 O ATOM 758 N LEU E 114 -4.138 50.238 14.247 1.00 24.43 N ATOM 759 CA LEU E 114 -2.972 49.578 14.823 1.00 26.11 C ATOM 760 C LEU E 114 -2.977 48.109 14.419 1.00 27.96 C ATOM 761 O LEU E 114 -4.032 47.477 14.345 1.00 29.18 O ATOM 762 CB LEU E 114 -2.981 49.696 16.350 1.00 25.07 C ATOM 763 CG LEU E 114 -3.167 51.089 16.957 1.00 24.87 C ATOM 764 CD1 LEU E 114 -3.056 51.002 18.468 1.00 25.17 C ATOM 765 CD2 LEU E 114 -2.135 52.057 16.405 1.00 23.71 C HETATM 766 N IAS E 115 -1.792 47.570 14.165 1.00 29.73 N HETATM 767 CA IAS E 115 -1.657 46.175 13.760 1.00 32.03 C HETATM 768 C IAS E 115 -1.378 45.273 14.967 1.00 33.24 C HETATM 769 O IAS E 115 -1.118 44.061 14.796 1.00 35.56 O HETATM 770 CB IAS E 115 -0.556 46.047 12.708 1.00 31.73 C HETATM 771 CG IAS E 115 0.810 46.382 13.258 1.00 31.19 C HETATM 772 OD1 IAS E 115 0.974 47.339 14.015 1.00 32.24 O HETATM 773 OXT IAS E 115 -1.413 45.736 16.129 1.00 34.31 O ATOM 774 N SER E 116 1.793 45.580 12.872 1.00 30.75 N ATOM 775 CA SER E 116 3.171 45.747 13.318 1.00 30.14 C ATOM 776 C SER E 116 3.821 47.069 12.910 1.00 29.38 C ATOM 777 O SER E 116 4.723 47.553 13.596 1.00 29.19 O ATOM 778 CB SER E 116 4.018 44.584 12.796 1.00 30.62 C ATOM 779 OG SER E 116 3.905 44.470 11.387 1.00 31.67 O ATOM 780 N ARG E 117 3.350 47.658 11.814 1.00 27.98 N ATOM 781 CA ARG E 117 3.916 48.906 11.303 1.00 26.54 C ATOM 782 C ARG E 117 3.460 50.193 11.992 1.00 24.81 C ATOM 783 O ARG E 117 4.126 51.225 11.890 1.00 24.06 O ATOM 784 CB ARG E 117 3.718 48.980 9.792 1.00 28.23 C ATOM 785 CG ARG E 117 4.319 47.778 9.078 1.00 30.06 C ATOM 786 CD ARG E 117 4.169 47.869 7.579 1.00 31.89 C ATOM 787 NE ARG E 117 4.679 46.675 6.908 1.00 34.62 N ATOM 788 CZ ARG E 117 5.946 46.493 6.544 1.00 35.92 C ATOM 789 NH1 ARG E 117 6.859 47.428 6.778 1.00 36.45 N ATOM 790 NH2 ARG E 117 6.303 45.367 5.939 1.00 37.67 N ATOM 791 N VAL E 118 2.322 50.139 12.676 1.00 22.25 N ATOM 792 CA VAL E 118 1.809 51.293 13.410 1.00 20.82 C ATOM 793 C VAL E 118 1.411 50.786 14.789 1.00 20.91 C ATOM 794 O VAL E 118 0.476 49.992 14.923 1.00 22.12 O ATOM 795 CB VAL E 118 0.586 51.945 12.720 1.00 19.88 C ATOM 796 CG1 VAL E 118 0.097 53.133 13.542 1.00 19.12 C ATOM 797 CG2 VAL E 118 0.951 52.404 11.312 1.00 19.26 C ATOM 798 N ALA E 119 2.142 51.226 15.807 1.00 19.73 N ATOM 799 CA ALA E 119 1.878 50.796 17.173 1.00 18.61 C ATOM 800 C ALA E 119 2.183 51.893 18.177 1.00 17.96 C ATOM 801 O ALA E 119 2.941 52.821 17.892 1.00 18.46 O ATOM 802 CB ALA E 119 2.699 49.551 17.492 1.00 18.69 C ATOM 803 N SER E 120 1.584 51.781 19.356 1.00 16.75 N ATOM 804 CA SER E 120 1.792 52.754 20.416 1.00 16.42 C ATOM 805 C SER E 120 2.988 52.372 21.288 1.00 16.00 C ATOM 806 O SER E 120 3.400 51.210 21.324 1.00 17.61 O ATOM 807 CB SER E 120 0.536 52.860 21.281 1.00 17.52 C ATOM 808 OG SER E 120 0.207 51.600 21.841 1.00 19.96 O ATOM 809 N ILE E 121 3.554 53.367 21.963 1.00 15.53 N ATOM 810 CA ILE E 121 4.684 53.150 22.857 1.00 15.70 C ATOM 811 C ILE E 121 4.182 53.399 24.278 1.00 15.56 C ATOM 812 O ILE E 121 3.432 54.347 24.527 1.00 14.23 O ATOM 813 CB ILE E 121 5.881 54.092 22.518 1.00 15.21 C ATOM 814 CG1 ILE E 121 7.086 53.782 23.414 1.00 16.33 C ATOM 815 CG2 ILE E 121 5.472 55.547 22.651 1.00 16.86 C ATOM 816 CD1 ILE E 121 7.689 52.415 23.189 1.00 17.05 C ATOM 817 N ASER E 122 4.586 52.534 25.204 0.50 15.57 N ATOM 818 N BSER E 122 4.593 52.537 25.202 0.50 15.86 N ATOM 819 CA ASER E 122 4.175 52.648 26.600 0.50 16.16 C ATOM 820 CA BSER E 122 4.187 52.643 26.597 0.50 16.75 C ATOM 821 C ASER E 122 4.811 53.836 27.314 0.50 16.31 C ATOM 822 C BSER E 122 4.817 53.833 27.318 0.50 16.65 C ATOM 823 O ASER E 122 5.941 54.224 27.015 0.50 15.61 O ATOM 824 O BSER E 122 5.948 54.223 27.026 0.50 15.95 O ATOM 825 CB ASER E 122 4.519 51.363 27.362 0.50 16.35 C ATOM 826 CB BSER E 122 4.541 51.349 27.337 0.50 17.36 C ATOM 827 OG ASER E 122 3.838 50.242 26.826 0.50 16.54 O ATOM 828 OG BSER E 122 4.222 51.440 28.713 0.50 19.50 O ATOM 829 N LEU E 123 4.060 54.421 28.242 1.00 16.56 N ATOM 830 CA LEU E 123 4.539 55.547 29.035 1.00 17.17 C ATOM 831 C LEU E 123 5.353 54.928 30.175 1.00 19.04 C ATOM 832 O LEU E 123 5.140 53.767 30.541 1.00 20.07 O ATOM 833 CB LEU E 123 3.366 56.358 29.596 1.00 17.41 C ATOM 834 CG LEU E 123 2.551 57.160 28.574 1.00 17.66 C ATOM 835 CD1 LEU E 123 1.400 57.865 29.267 1.00 17.04 C ATOM 836 CD2 LEU E 123 3.447 58.169 27.868 1.00 17.55 C ATOM 837 N PRO E 124 6.303 55.685 30.742 1.00 19.17 N ATOM 838 CA PRO E 124 7.123 55.151 31.832 1.00 20.30 C ATOM 839 C PRO E 124 6.414 55.041 33.177 1.00 21.22 C ATOM 840 O PRO E 124 5.474 55.784 33.466 1.00 20.04 O ATOM 841 CB PRO E 124 8.282 56.139 31.891 1.00 21.20 C ATOM 842 CG PRO E 124 7.630 57.432 31.540 1.00 21.02 C ATOM 843 CD PRO E 124 6.722 57.052 30.385 1.00 18.96 C ATOM 844 N THR E 125 6.852 54.071 33.974 1.00 22.54 N ATOM 845 CA THR E 125 6.308 53.853 35.309 1.00 24.22 C ATOM 846 C THR E 125 7.224 54.562 36.309 1.00 24.15 C ATOM 847 O THR E 125 6.819 54.887 37.426 1.00 24.94 O ATOM 848 CB THR E 125 6.214 52.349 35.643 1.00 25.43 C ATOM 849 OG1 THR E 125 7.480 51.723 35.401 1.00 29.18 O ATOM 850 CG2 THR E 125 5.152 51.677 34.782 1.00 25.64 C ATOM 851 N SER E 127 8.460 54.811 35.881 1.00 23.50 N ATOM 852 CA SER E 127 9.457 55.503 36.690 1.00 23.05 C ATOM 853 C SER E 127 10.487 56.142 35.761 1.00 21.92 C ATOM 854 O SER E 127 10.602 55.758 34.595 1.00 22.51 O ATOM 855 CB SER E 127 10.152 54.533 37.657 1.00 23.94 C ATOM 856 OG SER E 127 10.872 53.530 36.962 1.00 25.91 O ATOM 857 N CYS E 128 11.214 57.128 36.276 1.00 21.44 N ATOM 858 CA CYS E 128 12.239 57.818 35.498 1.00 20.66 C ATOM 859 C CYS E 128 13.449 56.926 35.245 1.00 21.96 C ATOM 860 O CYS E 128 13.758 56.039 36.045 1.00 22.54 O ATOM 861 CB CYS E 128 12.676 59.094 36.212 1.00 20.32 C ATOM 862 SG CYS E 128 11.323 60.275 36.488 1.00 19.27 S ATOM 863 N ALA E 129 14.116 57.153 34.117 1.00 21.36 N ATOM 864 CA ALA E 129 15.291 56.372 33.747 1.00 20.14 C ATOM 865 C ALA E 129 16.546 56.927 34.408 1.00 19.85 C ATOM 866 O ALA E 129 16.698 58.137 34.565 1.00 19.79 O ATOM 867 CB ALA E 129 15.451 56.344 32.234 1.00 20.57 C ATOM 868 N SER E 130 17.441 56.031 34.808 1.00 19.39 N ATOM 869 CA SER E 130 18.680 56.430 35.464 1.00 19.60 C ATOM 870 C SER E 130 19.762 56.791 34.454 1.00 18.76 C ATOM 871 O SER E 130 19.730 56.339 33.310 1.00 17.95 O ATOM 872 CB SER E 130 19.180 55.297 36.361 1.00 20.71 C ATOM 873 OG SER E 130 19.420 54.123 35.601 1.00 24.09 O ATOM 874 N ALA E 132 20.726 57.593 34.898 1.00 18.30 N ATOM 875 CA ALA E 132 21.842 57.999 34.051 1.00 18.13 C ATOM 876 C ALA E 132 22.575 56.754 33.560 1.00 18.59 C ATOM 877 O ALA E 132 22.760 55.792 34.313 1.00 20.12 O ATOM 878 CB ALA E 132 22.790 58.899 34.828 1.00 19.39 C ATOM 879 N GLY E 133 22.963 56.760 32.290 1.00 16.33 N ATOM 880 CA GLY E 133 23.663 55.622 31.727 1.00 16.64 C ATOM 881 C GLY E 133 22.774 54.659 30.968 1.00 16.58 C ATOM 882 O GLY E 133 23.268 53.825 30.206 1.00 17.55 O ATOM 883 N THR E 134 21.463 54.766 31.180 1.00 17.38 N ATOM 884 CA THR E 134 20.494 53.911 30.501 1.00 18.05 C ATOM 885 C THR E 134 20.547 54.194 29.004 1.00 17.91 C ATOM 886 O THR E 134 20.494 55.352 28.593 1.00 16.82 O ATOM 887 CB THR E 134 19.053 54.199 30.993 1.00 18.88 C ATOM 888 OG1 THR E 134 18.963 53.951 32.402 1.00 21.28 O ATOM 889 CG2 THR E 134 18.046 53.318 30.264 1.00 19.55 C ATOM 890 N GLN E 135 20.695 53.141 28.204 1.00 19.19 N ATOM 891 CA GLN E 135 20.742 53.273 26.748 1.00 19.67 C ATOM 892 C GLN E 135 19.337 53.449 26.189 1.00 18.89 C ATOM 893 O GLN E 135 18.412 52.724 26.564 1.00 19.16 O ATOM 894 CB GLN E 135 21.406 52.053 26.110 1.00 22.82 C ATOM 895 CG GLN E 135 22.924 52.126 26.058 1.00 26.90 C ATOM 896 CD GLN E 135 23.417 53.278 25.197 1.00 29.41 C ATOM 897 OE1 GLN E 135 23.658 54.376 25.693 1.00 31.14 O ATOM 898 NE2 GLN E 135 23.560 53.032 23.900 1.00 31.22 N ATOM 899 N CYS E 136 19.185 54.407 25.279 1.00 16.16 N ATOM 900 CA CYS E 136 17.884 54.691 24.688 1.00 15.79 C ATOM 901 C CYS E 136 17.956 54.807 23.172 1.00 15.88 C ATOM 902 O CYS E 136 19.040 54.910 22.602 1.00 15.23 O ATOM 903 CB CYS E 136 17.336 55.996 25.263 1.00 15.55 C ATOM 904 SG CYS E 136 17.343 56.067 27.082 1.00 17.11 S ATOM 905 N LEU E 137 16.791 54.764 22.530 1.00 14.49 N ATOM 906 CA LEU E 137 16.697 54.883 21.079 1.00 14.32 C ATOM 907 C LEU E 137 16.027 56.208 20.735 1.00 14.59 C ATOM 908 O LEU E 137 14.900 56.476 21.160 1.00 14.21 O ATOM 909 CB LEU E 137 15.888 53.724 20.484 1.00 15.28 C ATOM 910 CG LEU E 137 15.703 53.748 18.961 1.00 16.88 C ATOM 911 CD1 LEU E 137 17.041 53.544 18.263 1.00 17.09 C ATOM 912 CD2 LEU E 137 14.718 52.673 18.538 1.00 16.46 C ATOM 913 N ILE E 138 16.749 57.044 19.996 1.00 13.75 N ATOM 914 CA ILE E 138 16.257 58.352 19.573 1.00 12.92 C ATOM 915 C ILE E 138 16.093 58.268 18.059 1.00 12.77 C ATOM 916 O ILE E 138 16.961 57.734 17.362 1.00 12.74 O ATOM 917 CB ILE E 138 17.261 59.472 19.949 1.00 11.97 C ATOM 918 CG1 ILE E 138 17.572 59.401 21.449 1.00 12.33 C ATOM 919 CG2 ILE E 138 16.690 60.848 19.599 1.00 13.10 C ATOM 920 CD1 ILE E 138 18.557 60.438 21.937 1.00 14.00 C ATOM 921 N SER E 139 14.969 58.761 17.547 1.00 11.72 N ATOM 922 CA SER E 139 14.724 58.687 16.112 1.00 11.45 C ATOM 923 C SER E 139 14.066 59.929 15.526 1.00 12.24 C ATOM 924 O SER E 139 13.500 60.749 16.249 1.00 11.27 O ATOM 925 CB SER E 139 13.887 57.443 15.792 1.00 13.01 C ATOM 926 OG SER E 139 12.721 57.388 16.604 1.00 12.62 O ATOM 927 N GLY E 140 14.169 60.065 14.205 1.00 11.00 N ATOM 928 CA GLY E 140 13.574 61.205 13.533 1.00 10.47 C ATOM 929 C GLY E 140 14.062 61.432 12.109 1.00 11.31 C ATOM 930 O GLY E 140 14.992 60.773 11.639 1.00 10.59 O ATOM 931 N TRP E 141 13.424 62.383 11.434 1.00 10.86 N ATOM 932 CA TRP E 141 13.756 62.747 10.053 1.00 9.99 C ATOM 933 C TRP E 141 14.482 64.092 10.001 1.00 10.38 C ATOM 934 O TRP E 141 14.454 64.793 8.982 1.00 10.28 O ATOM 935 CB TRP E 141 12.478 62.821 9.211 1.00 10.70 C ATOM 936 CG TRP E 141 11.868 61.493 8.900 1.00 11.42 C ATOM 937 CD1 TRP E 141 12.237 60.641 7.901 1.00 11.27 C ATOM 938 CD2 TRP E 141 10.762 60.872 9.567 1.00 10.57 C ATOM 939 NE1 TRP E 141 11.433 59.529 7.902 1.00 12.11 N ATOM 940 CE2 TRP E 141 10.519 59.642 8.915 1.00 11.70 C ATOM 941 CE3 TRP E 141 9.955 61.233 10.655 1.00 11.14 C ATOM 942 CZ2 TRP E 141 9.495 58.771 9.308 1.00 10.80 C ATOM 943 CZ3 TRP E 141 8.937 60.365 11.047 1.00 10.45 C ATOM 944 CH2 TRP E 141 8.720 59.147 10.374 1.00 10.73 C ATOM 945 N GLY E 142 15.134 64.453 11.104 1.00 8.83 N ATOM 946 CA GLY E 142 15.850 65.715 11.169 1.00 8.56 C ATOM 947 C GLY E 142 17.192 65.730 10.460 1.00 8.59 C ATOM 948 O GLY E 142 17.622 64.720 9.900 1.00 10.65 O ATOM 949 N ASN E 143 17.843 66.890 10.501 1.00 9.40 N ATOM 950 CA ASN E 143 19.149 67.113 9.871 1.00 10.32 C ATOM 951 C ASN E 143 20.154 66.056 10.324 1.00 11.75 C ATOM 952 O ASN E 143 20.204 65.703 11.506 1.00 10.99 O ATOM 953 CB ASN E 143 19.647 68.515 10.244 1.00 10.24 C ATOM 954 CG ASN E 143 20.807 68.993 9.378 1.00 11.32 C ATOM 955 OD1 ASN E 143 21.316 68.263 8.521 1.00 12.68 O ATOM 956 ND2 ASN E 143 21.227 70.232 9.605 1.00 14.06 N ATOM 957 N THR E 144 20.933 65.536 9.378 1.00 12.16 N ATOM 958 CA THR E 144 21.941 64.520 9.679 1.00 13.09 C ATOM 959 C THR E 144 23.355 65.099 9.753 1.00 15.21 C ATOM 960 O THR E 144 24.323 64.359 9.950 1.00 15.27 O ATOM 961 CB THR E 144 21.924 63.372 8.648 1.00 14.11 C ATOM 962 OG1 THR E 144 22.225 63.889 7.344 1.00 15.56 O ATOM 963 CG2 THR E 144 20.558 62.692 8.625 1.00 13.69 C ATOM 964 N LYS E 145 23.472 66.414 9.591 1.00 16.48 N ATOM 965 CA LYS E 145 24.773 67.076 9.650 1.00 19.55 C ATOM 966 C LYS E 145 24.887 68.076 10.794 1.00 22.12 C ATOM 967 O LYS E 145 23.964 68.854 11.051 1.00 21.99 O ATOM 968 CB LYS E 145 25.087 67.777 8.325 1.00 18.87 C ATOM 969 CG LYS E 145 25.361 66.827 7.173 1.00 20.64 C ATOM 970 N ASER E 146 26.021 68.034 11.490 0.50 23.40 N ATOM 971 N BSER E 146 26.024 68.033 11.485 0.50 23.50 N ATOM 972 CA ASER E 146 26.288 68.938 12.608 0.50 25.40 C ATOM 973 CA BSER E 146 26.306 68.927 12.604 0.50 25.59 C ATOM 974 C ASER E 146 26.641 70.325 12.077 0.50 26.56 C ATOM 975 C BSER E 146 26.638 70.318 12.073 0.50 26.68 C ATOM 976 O ASER E 146 26.337 71.340 12.705 0.50 26.62 O ATOM 977 O BSER E 146 26.295 71.333 12.684 0.50 26.77 O ATOM 978 CB ASER E 146 27.435 68.395 13.464 0.50 25.22 C ATOM 979 CB BSER E 146 27.484 68.388 13.418 0.50 25.56 C ATOM 980 OG ASER E 146 28.607 68.201 12.691 0.50 25.14 O ATOM 981 OG BSER E 146 27.828 69.268 14.472 0.50 26.01 O ATOM 982 N SER E 147 27.310 70.346 10.927 1.00 27.58 N ATOM 983 CA SER E 147 27.701 71.585 10.274 1.00 29.58 C ATOM 984 C SER E 147 27.252 71.412 8.833 1.00 30.20 C ATOM 985 O SER E 147 27.824 70.623 8.077 1.00 32.32 O ATOM 986 CB SER E 147 29.215 71.785 10.335 1.00 31.01 C ATOM 987 OG SER E 147 29.583 73.008 9.722 1.00 34.02 O ATOM 988 N GLY E 148 26.198 72.126 8.470 1.00 29.67 N ATOM 989 CA GLY E 148 25.670 72.011 7.128 1.00 28.23 C ATOM 990 C GLY E 148 24.238 71.520 7.178 1.00 28.04 C ATOM 991 O GLY E 148 23.636 71.429 8.256 1.00 26.69 O ATOM 992 N THR E 149 23.706 71.150 6.019 1.00 26.64 N ATOM 993 CA THR E 149 22.325 70.703 5.938 1.00 25.54 C ATOM 994 C THR E 149 22.093 69.500 5.027 1.00 24.34 C ATOM 995 O THR E 149 22.474 69.505 3.856 1.00 24.91 O ATOM 996 CB THR E 149 21.427 71.870 5.478 1.00 26.04 C ATOM 997 OG1 THR E 149 21.389 72.877 6.495 1.00 28.91 O ATOM 998 CG2 THR E 149 20.034 71.395 5.199 1.00 28.10 C ATOM 999 N SER E 150 21.452 68.474 5.579 1.00 21.91 N ATOM 1000 CA SER E 150 21.122 67.268 4.832 1.00 20.09 C ATOM 1001 C SER E 150 19.987 66.524 5.522 1.00 18.69 C ATOM 1002 O SER E 150 20.184 65.909 6.571 1.00 19.52 O ATOM 1003 CB SER E 150 22.335 66.349 4.695 1.00 20.66 C ATOM 1004 OG SER E 150 22.004 65.201 3.928 1.00 23.20 O ATOM 1005 N ATYR E 151 18.797 66.603 4.937 0.50 17.67 N ATOM 1006 N BTYR E 151 18.797 66.598 4.934 0.50 17.83 N ATOM 1007 CA ATYR E 151 17.620 65.941 5.483 0.50 16.53 C ATOM 1008 CA BTYR E 151 17.622 65.931 5.483 0.50 16.82 C ATOM 1009 C ATYR E 151 17.369 64.617 4.770 0.50 16.49 C ATOM 1010 C BTYR E 151 17.383 64.609 4.770 0.50 16.66 C ATOM 1011 O ATYR E 151 17.279 64.566 3.542 0.50 16.93 O ATOM 1012 O BTYR E 151 17.317 64.554 3.541 0.50 17.09 O ATOM 1013 CB ATYR E 151 16.409 66.872 5.397 0.50 15.52 C ATOM 1014 CB BTYR E 151 16.386 66.822 5.355 0.50 16.25 C ATOM 1015 CG ATYR E 151 16.553 68.077 6.298 0.50 14.01 C ATOM 1016 CG BTYR E 151 16.584 68.189 5.951 0.50 15.05 C ATOM 1017 CD1ATYR E 151 16.131 68.029 7.624 0.50 13.12 C ATOM 1018 CD1BTYR E 151 16.651 68.367 7.335 0.50 14.88 C ATOM 1019 CD2ATYR E 151 17.162 69.247 5.845 0.50 14.65 C ATOM 1020 CD2BTYR E 151 16.752 69.302 5.133 0.50 16.23 C ATOM 1021 CE1ATYR E 151 16.314 69.109 8.479 0.50 12.53 C ATOM 1022 CE1BTYR E 151 16.888 69.621 7.886 0.50 14.71 C ATOM 1023 CE2ATYR E 151 17.350 70.336 6.696 0.50 14.12 C ATOM 1024 CE2BTYR E 151 16.986 70.554 5.671 0.50 15.84 C ATOM 1025 CZ ATYR E 151 16.925 70.257 8.012 0.50 13.38 C ATOM 1026 CZ BTYR E 151 17.057 70.711 7.046 0.50 16.05 C ATOM 1027 OH ATYR E 151 17.128 71.317 8.866 0.50 13.46 O ATOM 1028 OH BTYR E 151 17.320 71.952 7.572 0.50 16.10 O ATOM 1029 N PRO E 152 17.254 63.521 5.541 1.00 15.77 N ATOM 1030 CA PRO E 152 17.023 62.174 5.017 1.00 15.29 C ATOM 1031 C PRO E 152 15.617 61.902 4.505 1.00 15.90 C ATOM 1032 O PRO E 152 14.664 62.597 4.856 1.00 17.07 O ATOM 1033 CB PRO E 152 17.336 61.299 6.224 1.00 15.17 C ATOM 1034 CG PRO E 152 16.786 62.122 7.349 1.00 15.12 C ATOM 1035 CD PRO E 152 17.285 63.508 7.017 1.00 14.90 C ATOM 1036 N ASP E 153 15.508 60.897 3.644 1.00 16.79 N ATOM 1037 CA ASP E 153 14.221 60.484 3.112 1.00 18.15 C ATOM 1038 C ASP E 153 13.635 59.493 4.111 1.00 17.73 C ATOM 1039 O ASP E 153 12.469 59.598 4.488 1.00 18.12 O ATOM 1040 CB ASP E 153 14.384 59.796 1.751 1.00 20.09 C ATOM 1041 CG ASP E 153 14.859 60.743 0.662 1.00 23.59 C ATOM 1042 OD1 ASP E 153 14.456 61.924 0.669 1.00 25.54 O ATOM 1043 OD2 ASP E 153 15.631 60.298 -0.213 1.00 26.77 O ATOM 1044 N VAL E 154 14.466 58.552 4.559 1.00 17.22 N ATOM 1045 CA VAL E 154 14.035 57.527 5.507 1.00 16.52 C ATOM 1046 C VAL E 154 14.362 57.863 6.962 1.00 15.34 C ATOM 1047 O VAL E 154 15.240 58.680 7.248 1.00 15.05 O ATOM 1048 CB VAL E 154 14.610 56.132 5.148 1.00 17.47 C ATOM 1049 CG1 VAL E 154 14.153 55.716 3.750 1.00 17.29 C ATOM 1050 CG2 VAL E 154 16.125 56.136 5.246 1.00 17.20 C ATOM 1051 N LEU E 155 13.652 57.206 7.875 1.00 15.71 N ATOM 1052 CA LEU E 155 13.823 57.424 9.310 1.00 15.16 C ATOM 1053 C LEU E 155 15.216 57.055 9.819 1.00 15.46 C ATOM 1054 O LEU E 155 15.748 55.995 9.485 1.00 16.19 O ATOM 1055 CB LEU E 155 12.767 56.632 10.087 1.00 14.11 C ATOM 1056 CG LEU E 155 12.681 56.914 11.590 1.00 13.26 C ATOM 1057 CD1 LEU E 155 12.273 58.363 11.833 1.00 12.24 C ATOM 1058 CD2 LEU E 155 11.689 55.967 12.233 1.00 13.80 C ATOM 1059 N LYS E 156 15.795 57.943 10.623 1.00 14.31 N ATOM 1060 CA LYS E 156 17.117 57.719 11.203 1.00 14.01 C ATOM 1061 C LYS E 156 16.997 57.372 12.679 1.00 15.06 C ATOM 1062 O LYS E 156 16.090 57.836 13.374 1.00 14.00 O ATOM 1063 CB LYS E 156 18.012 58.947 11.020 1.00 13.81 C ATOM 1064 CG LYS E 156 18.305 59.266 9.568 1.00 15.37 C ATOM 1065 CD LYS E 156 19.006 58.105 8.885 1.00 18.77 C ATOM 1066 CE LYS E 156 18.813 58.184 7.384 1.00 21.57 C ATOM 1067 NZ LYS E 156 19.540 57.107 6.667 1.00 25.87 N ATOM 1068 N CYS E 157 17.925 56.545 13.142 1.00 14.82 N ATOM 1069 CA CYS E 157 17.957 56.085 14.523 1.00 15.07 C ATOM 1070 C CYS E 157 19.302 56.356 15.176 1.00 16.12 C ATOM 1071 O CYS E 157 20.327 56.436 14.497 1.00 16.49 O ATOM 1072 CB CYS E 157 17.672 54.585 14.567 1.00 14.36 C ATOM 1073 SG CYS E 157 15.908 54.152 14.504 1.00 16.10 S ATOM 1074 N LEU E 158 19.286 56.468 16.501 1.00 14.42 N ATOM 1075 CA LEU E 158 20.492 56.717 17.275 1.00 14.95 C ATOM 1076 C LEU E 158 20.385 56.166 18.689 1.00 15.53 C ATOM 1077 O LEU E 158 19.408 56.425 19.393 1.00 14.76 O ATOM 1078 CB LEU E 158 20.784 58.221 17.361 1.00 14.07 C ATOM 1079 CG LEU E 158 21.918 58.638 18.312 1.00 14.36 C ATOM 1080 CD1 LEU E 158 23.256 58.194 17.739 1.00 15.24 C ATOM 1081 CD2 LEU E 158 21.905 60.136 18.546 1.00 14.90 C ATOM 1082 N ALYS E 159 21.384 55.390 19.089 0.50 15.99 N ATOM 1083 N BLYS E 159 21.372 55.360 19.075 0.50 15.97 N ATOM 1084 CA ALYS E 159 21.423 54.837 20.433 0.50 16.67 C ATOM 1085 CA BLYS E 159 21.440 54.791 20.421 0.50 16.59 C ATOM 1086 C ALYS E 159 22.275 55.785 21.260 0.50 16.40 C ATOM 1087 C BLYS E 159 22.275 55.772 21.259 0.50 16.36 C ATOM 1088 O ALYS E 159 23.405 56.107 20.890 0.50 16.65 O ATOM 1089 O BLYS E 159 23.399 56.112 20.879 0.50 16.60 O ATOM 1090 CB ALYS E 159 22.018 53.430 20.428 0.50 17.52 C ATOM 1091 CB BLYS E 159 22.122 53.413 20.392 0.50 17.35 C ATOM 1092 CG ALYS E 159 21.107 52.396 19.782 0.50 20.40 C ATOM 1093 CG BLYS E 159 21.370 52.311 19.619 0.50 20.08 C ATOM 1094 CD ALYS E 159 21.698 50.997 19.837 0.50 22.31 C ATOM 1095 CD BLYS E 159 20.037 51.928 20.287 0.50 21.92 C ATOM 1096 CE ALYS E 159 20.744 49.989 19.215 0.50 23.58 C ATOM 1097 CE BLYS E 159 19.241 50.886 19.479 0.50 23.43 C ATOM 1098 NZ ALYS E 159 21.262 48.595 19.260 0.50 23.97 N ATOM 1099 NZ BLYS E 159 19.888 49.546 19.332 0.50 26.16 N ATOM 1100 N ALA E 160 21.709 56.272 22.356 1.00 15.43 N ATOM 1101 CA ALA E 160 22.415 57.215 23.222 1.00 15.46 C ATOM 1102 C ALA E 160 22.003 57.035 24.674 1.00 15.19 C ATOM 1103 O ALA E 160 20.869 56.649 24.964 1.00 16.28 O ATOM 1104 CB ALA E 160 22.144 58.652 22.772 1.00 15.41 C ATOM 1105 N PRO E 161 22.930 57.296 25.609 1.00 15.14 N ATOM 1106 CA PRO E 161 22.650 57.157 27.038 1.00 14.84 C ATOM 1107 C PRO E 161 22.092 58.399 27.715 1.00 14.08 C ATOM 1108 O PRO E 161 22.372 59.534 27.318 1.00 13.53 O ATOM 1109 CB PRO E 161 24.026 56.826 27.605 1.00 13.80 C ATOM 1110 CG PRO E 161 24.906 57.724 26.787 1.00 15.11 C ATOM 1111 CD PRO E 161 24.373 57.510 25.380 1.00 13.84 C ATOM 1112 N ILE E 162 21.304 58.169 28.759 1.00 14.60 N ATOM 1113 CA ILE E 162 20.752 59.249 29.555 1.00 14.58 C ATOM 1114 C ILE E 162 21.960 59.784 30.329 1.00 14.51 C ATOM 1115 O ILE E 162 22.801 59.000 30.786 1.00 14.90 O ATOM 1116 CB ILE E 162 19.731 58.715 30.586 1.00 14.77 C ATOM 1117 CG1 ILE E 162 18.554 58.032 29.882 1.00 17.39 C ATOM 1118 CG2 ILE E 162 19.278 59.836 31.509 1.00 14.78 C ATOM 1119 CD1 ILE E 162 17.695 58.962 29.067 1.00 19.63 C ATOM 1120 N LEU E 163 22.084 61.102 30.420 1.00 14.60 N ATOM 1121 CA LEU E 163 23.193 61.699 31.157 1.00 15.61 C ATOM 1122 C LEU E 163 22.726 62.232 32.502 1.00 16.53 C ATOM 1123 O LEU E 163 21.541 62.510 32.696 1.00 15.42 O ATOM 1124 CB LEU E 163 23.866 62.810 30.344 1.00 15.53 C ATOM 1125 CG LEU E 163 24.440 62.375 28.992 1.00 15.18 C ATOM 1126 CD1 LEU E 163 25.101 63.563 28.313 1.00 16.27 C ATOM 1127 CD2 LEU E 163 25.443 61.239 29.174 1.00 16.25 C ATOM 1128 N SER E 164 23.664 62.367 33.433 1.00 16.32 N ATOM 1129 CA SER E 164 23.357 62.858 34.768 1.00 17.56 C ATOM 1130 C SER E 164 22.899 64.309 34.754 1.00 17.88 C ATOM 1131 O SER E 164 23.320 65.101 33.908 1.00 16.00 O ATOM 1132 CB SER E 164 24.586 62.736 35.670 1.00 16.81 C ATOM 1133 OG SER E 164 25.560 63.708 35.324 1.00 19.28 O ATOM 1134 N ASP E 165 22.054 64.656 35.720 1.00 18.40 N ATOM 1135 CA ASP E 165 21.547 66.014 35.854 1.00 19.07 C ATOM 1136 C ASP E 165 22.708 66.991 36.080 1.00 19.11 C ATOM 1137 O ASP E 165 22.680 68.122 35.594 1.00 18.38 O ATOM 1138 CB ASP E 165 20.553 66.081 37.020 1.00 22.47 C ATOM 1139 CG ASP E 165 19.939 67.456 37.193 1.00 25.62 C ATOM 1140 OD1 ASP E 165 19.375 67.991 36.217 1.00 27.96 O ATOM 1141 OD2 ASP E 165 20.013 68.001 38.314 1.00 27.13 O ATOM 1142 N ASER E 166 23.723 66.541 36.813 0.33 18.73 N ATOM 1143 N BSER E 166 23.723 66.538 36.811 0.33 18.73 N ATOM 1144 N CSER E 166 23.722 66.541 36.815 0.33 18.85 N ATOM 1145 CA ASER E 166 24.891 67.365 37.103 0.33 18.57 C ATOM 1146 CA BSER E 166 24.897 67.354 37.106 0.33 18.58 C ATOM 1147 CA CSER E 166 24.892 67.363 37.107 0.33 18.80 C ATOM 1148 C ASER E 166 25.668 67.714 35.835 0.33 18.23 C ATOM 1149 C BSER E 166 25.673 67.710 35.841 0.33 18.22 C ATOM 1150 C CSER E 166 25.677 67.711 35.842 0.33 18.35 C ATOM 1151 O ASER E 166 26.091 68.856 35.657 0.33 18.38 O ATOM 1152 O BSER E 166 26.095 68.853 35.668 0.33 18.36 O ATOM 1153 O CSER E 166 26.108 68.850 35.670 0.33 18.46 O ATOM 1154 CB ASER E 166 25.812 66.655 38.098 0.33 18.49 C ATOM 1155 CB BSER E 166 25.817 66.624 38.088 0.33 18.49 C ATOM 1156 CB CSER E 166 25.804 66.660 38.119 0.33 18.92 C ATOM 1157 OG ASER E 166 26.936 67.458 38.412 0.33 18.86 O ATOM 1158 OG BSER E 166 25.147 66.351 39.305 0.33 18.84 O ATOM 1159 OG CSER E 166 26.246 65.403 37.635 0.33 19.99 O ATOM 1160 N SER E 167 25.855 66.728 34.960 1.00 18.29 N ATOM 1161 CA SER E 167 26.582 66.945 33.706 1.00 18.27 C ATOM 1162 C SER E 167 25.755 67.817 32.763 1.00 17.71 C ATOM 1163 O SER E 167 26.293 68.665 32.055 1.00 17.06 O ATOM 1164 CB SER E 167 26.940 65.620 33.028 1.00 18.62 C ATOM 1165 OG SER E 167 25.816 65.019 32.415 1.00 19.95 O ATOM 1166 N CYS E 168 24.438 67.627 32.799 1.00 17.33 N ATOM 1167 CA CYS E 168 23.521 68.399 31.965 1.00 16.47 C ATOM 1168 C CYS E 168 23.568 69.872 32.362 1.00 16.30 C ATOM 1169 O CYS E 168 23.655 70.751 31.505 1.00 16.76 O ATOM 1170 CB CYS E 168 22.102 67.850 32.117 1.00 14.65 C ATOM 1171 SG CYS E 168 20.904 68.417 30.862 1.00 13.69 S ATOM 1172 N LYS E 169 23.537 70.135 33.669 1.00 16.37 N ATOM 1173 CA LYS E 169 23.586 71.498 34.184 1.00 17.97 C ATOM 1174 C LYS E 169 24.938 72.161 33.938 1.00 18.22 C ATOM 1175 O LYS E 169 25.010 73.373 33.737 1.00 18.78 O ATOM 1176 CB LYS E 169 23.237 71.518 35.675 1.00 19.24 C ATOM 1177 CG LYS E 169 21.769 71.238 35.941 1.00 21.87 C ATOM 1178 CD LYS E 169 21.449 71.256 37.420 1.00 24.82 C ATOM 1179 CE LYS E 169 19.952 71.120 37.641 1.00 27.93 C ATOM 1180 NZ LYS E 169 19.612 70.999 39.085 1.00 31.47 N ATOM 1181 N SER E 170 26.004 71.365 33.955 1.00 18.99 N ATOM 1182 CA SER E 170 27.341 71.888 33.697 1.00 20.47 C ATOM 1183 C SER E 170 27.435 72.300 32.230 1.00 19.77 C ATOM 1184 O SER E 170 28.049 73.316 31.898 1.00 19.96 O ATOM 1185 CB SER E 170 28.408 70.837 34.016 1.00 22.24 C ATOM 1186 OG SER E 170 28.428 70.540 35.402 1.00 27.50 O ATOM 1187 N ALA E 171 26.799 71.514 31.363 1.00 18.72 N ATOM 1188 CA ALA E 171 26.790 71.783 29.929 1.00 17.37 C ATOM 1189 C ALA E 171 25.965 73.021 29.593 1.00 16.93 C ATOM 1190 O ALA E 171 26.343 73.807 28.725 1.00 17.09 O ATOM 1191 CB ALA E 171 26.257 70.575 29.171 1.00 16.35 C ATOM 1192 N TYR E 172 24.851 73.201 30.302 1.00 15.75 N ATOM 1193 CA TYR E 172 23.956 74.335 30.078 1.00 15.65 C ATOM 1194 C TYR E 172 23.623 75.027 31.403 1.00 17.34 C ATOM 1195 O TYR E 172 22.524 74.864 31.938 1.00 16.61 O ATOM 1196 CB TYR E 172 22.659 73.849 29.415 1.00 14.12 C ATOM 1197 CG TYR E 172 22.857 73.153 28.088 1.00 11.41 C ATOM 1198 CD1 TYR E 172 22.842 71.764 27.995 1.00 9.16 C ATOM 1199 CD2 TYR E 172 23.044 73.889 26.919 1.00 12.03 C ATOM 1200 CE1 TYR E 172 23.007 71.120 26.770 1.00 10.98 C ATOM 1201 CE2 TYR E 172 23.205 73.261 25.690 1.00 12.37 C ATOM 1202 CZ TYR E 172 23.186 71.883 25.618 1.00 10.10 C ATOM 1203 OH TYR E 172 23.331 71.267 24.402 1.00 11.91 O ATOM 1204 N APRO E 173 24.564 75.825 31.937 0.50 17.68 N ATOM 1205 N BPRO E 173 24.560 75.838 31.927 0.50 18.16 N ATOM 1206 CA APRO E 173 24.391 76.550 33.202 0.50 18.32 C ATOM 1207 CA BPRO E 173 24.387 76.563 33.192 0.50 18.86 C ATOM 1208 C APRO E 173 23.165 77.462 33.242 0.50 19.18 C ATOM 1209 C BPRO E 173 23.166 77.476 33.244 0.50 19.51 C ATOM 1210 O APRO E 173 22.964 78.293 32.352 0.50 19.79 O ATOM 1211 O BPRO E 173 22.964 78.321 32.367 0.50 20.11 O ATOM 1212 CB APRO E 173 25.686 77.355 33.310 0.50 18.68 C ATOM 1213 CB BPRO E 173 25.695 77.350 33.315 0.50 19.46 C ATOM 1214 CG APRO E 173 26.679 76.475 32.626 0.50 16.82 C ATOM 1215 CG BPRO E 173 26.095 77.573 31.889 0.50 18.87 C ATOM 1216 CD APRO E 173 25.915 76.052 31.396 0.50 17.97 C ATOM 1217 CD BPRO E 173 25.825 76.222 31.278 0.50 18.74 C ATOM 1218 N GLY E 174 22.349 77.278 34.277 1.00 19.12 N ATOM 1219 CA GLY E 174 21.148 78.077 34.462 1.00 19.66 C ATOM 1220 C GLY E 174 20.042 77.872 33.444 1.00 19.61 C ATOM 1221 O GLY E 174 19.139 78.703 33.344 1.00 21.55 O ATOM 1222 N GLN E 175 20.083 76.755 32.724 1.00 18.83 N ATOM 1223 CA GLN E 175 19.083 76.473 31.692 1.00 17.64 C ATOM 1224 C GLN E 175 18.307 75.175 31.874 1.00 17.56 C ATOM 1225 O GLN E 175 17.240 75.003 31.285 1.00 17.25 O ATOM 1226 CB GLN E 175 19.756 76.434 30.320 1.00 18.39 C ATOM 1227 CG GLN E 175 20.455 77.714 29.913 1.00 21.14 C ATOM 1228 CD GLN E 175 21.365 77.506 28.722 1.00 24.03 C ATOM 1229 OE1 GLN E 175 22.587 77.432 28.866 1.00 26.75 O ATOM 1230 NE2 GLN E 175 20.774 77.392 27.539 1.00 24.34 N ATOM 1231 N ILE E 176 18.845 74.253 32.664 1.00 16.19 N ATOM 1232 CA ILE E 176 18.195 72.964 32.870 1.00 15.72 C ATOM 1233 C ILE E 176 17.215 72.964 34.041 1.00 17.24 C ATOM 1234 O ILE E 176 17.601 73.227 35.186 1.00 17.69 O ATOM 1235 CB ILE E 176 19.243 71.840 33.074 1.00 15.59 C ATOM 1236 CG1 ILE E 176 20.260 71.842 31.925 1.00 15.81 C ATOM 1237 CG2 ILE E 176 18.561 70.481 33.178 1.00 16.39 C ATOM 1238 CD1 ILE E 176 19.642 71.666 30.534 1.00 15.82 C ATOM 1239 N THR E 177 15.944 72.692 33.748 1.00 15.88 N ATOM 1240 CA THR E 177 14.920 72.639 34.790 1.00 15.54 C ATOM 1241 C THR E 177 14.715 71.193 35.235 1.00 15.05 C ATOM 1242 O THR E 177 15.279 70.262 34.654 1.00 13.67 O ATOM 1243 CB THR E 177 13.558 73.204 34.311 1.00 15.44 C ATOM 1244 OG1 THR E 177 12.980 72.313 33.352 1.00 14.26 O ATOM 1245 CG2 THR E 177 13.728 74.585 33.686 1.00 15.76 C ATOM 1246 N SER E 178 13.867 71.002 36.242 1.00 15.66 N ATOM 1247 CA SER E 178 13.585 69.667 36.757 1.00 17.20 C ATOM 1248 C SER E 178 12.826 68.803 35.748 1.00 15.62 C ATOM 1249 O SER E 178 12.709 67.591 35.923 1.00 16.19 O ATOM 1250 CB SER E 178 12.781 69.762 38.057 1.00 20.43 C ATOM 1251 OG SER E 178 11.539 70.412 37.837 1.00 23.69 O ATOM 1252 N ASN E 179 12.337 69.433 34.681 1.00 15.66 N ATOM 1253 CA ASN E 179 11.577 68.731 33.652 1.00 14.20 C ATOM 1254 C ASN E 179 12.371 68.467 32.378 1.00 15.16 C ATOM 1255 O ASN E 179 11.799 68.141 31.339 1.00 14.32 O ATOM 1256 CB ASN E 179 10.311 69.519 33.323 1.00 14.22 C ATOM 1257 CG ASN E 179 9.424 69.705 34.534 1.00 13.51 C ATOM 1258 OD1 ASN E 179 9.038 68.731 35.181 1.00 16.48 O ATOM 1259 ND2 ASN E 179 9.117 70.954 34.860 1.00 13.78 N ATOM 1260 N MET E 180 13.693 68.583 32.473 1.00 13.37 N ATOM 1261 CA MET E 180 14.569 68.355 31.330 1.00 13.71 C ATOM 1262 C MET E 180 15.683 67.395 31.697 1.00 14.02 C ATOM 1263 O MET E 180 16.051 67.277 32.867 1.00 15.41 O ATOM 1264 CB MET E 180 15.233 69.663 30.904 1.00 12.12 C ATOM 1265 CG MET E 180 14.289 70.776 30.521 1.00 13.17 C ATOM 1266 SD MET E 180 15.211 72.286 30.255 1.00 13.28 S ATOM 1267 CE MET E 180 13.887 73.443 29.998 1.00 14.60 C ATOM 1268 N PHE E 181 16.209 66.706 30.690 1.00 12.93 N ATOM 1269 CA PHE E 181 17.335 65.803 30.888 1.00 13.04 C ATOM 1270 C PHE E 181 18.179 65.760 29.625 1.00 14.36 C ATOM 1271 O PHE E 181 17.678 65.978 28.519 1.00 13.01 O ATOM 1272 CB PHE E 181 16.897 64.391 31.303 1.00 12.66 C ATOM 1273 CG PHE E 181 16.307 63.567 30.189 1.00 12.59 C ATOM 1274 CD1 PHE E 181 17.120 62.787 29.372 1.00 10.77 C ATOM 1275 CD2 PHE E 181 14.931 63.530 29.991 1.00 13.31 C ATOM 1276 CE1 PHE E 181 16.575 61.985 28.380 1.00 12.32 C ATOM 1277 CE2 PHE E 181 14.375 62.728 29.001 1.00 12.71 C ATOM 1278 CZ PHE E 181 15.195 61.952 28.193 1.00 12.01 C ATOM 1279 N CYS E 182 19.476 65.553 29.808 1.00 13.64 N ATOM 1280 CA CYS E 182 20.395 65.468 28.688 1.00 12.96 C ATOM 1281 C CYS E 182 20.621 64.012 28.318 1.00 12.43 C ATOM 1282 O CYS E 182 20.507 63.115 29.159 1.00 12.79 O ATOM 1283 CB CYS E 182 21.737 66.106 29.050 1.00 12.65 C ATOM 1284 SG CYS E 182 21.772 67.918 29.090 1.00 13.46 S ATOM 1285 N ALA E 183 20.939 63.783 27.050 1.00 10.98 N ATOM 1286 CA ALA E 183 21.219 62.451 26.544 1.00 11.86 C ATOM 1287 C ALA E 183 22.154 62.606 25.352 1.00 13.19 C ATOM 1288 O ALA E 183 22.035 63.562 24.579 1.00 13.59 O ATOM 1289 CB ALA E 183 19.938 61.749 26.126 1.00 12.92 C ATOM 1290 N GLY E 184A 23.112 61.695 25.236 1.00 12.96 N ATOM 1291 CA GLY E 184A 24.047 61.762 24.130 1.00 13.12 C ATOM 1292 C GLY E 184A 25.480 61.454 24.517 1.00 15.37 C ATOM 1293 O GLY E 184A 25.737 60.721 25.476 1.00 14.05 O ATOM 1294 N TYR E 184 26.412 62.030 23.764 1.00 15.62 N ATOM 1295 CA TYR E 184 27.840 61.824 23.986 1.00 16.11 C ATOM 1296 C TYR E 184 28.551 63.166 24.040 1.00 16.62 C ATOM 1297 O TYR E 184 28.463 63.964 23.108 1.00 15.47 O ATOM 1298 CB TYR E 184 28.417 60.956 22.867 1.00 17.37 C ATOM 1299 CG TYR E 184 27.783 59.586 22.780 1.00 19.13 C ATOM 1300 CD1 TYR E 184 26.607 59.382 22.055 1.00 19.14 C ATOM 1301 CD2 TYR E 184 28.343 58.494 23.442 1.00 19.15 C ATOM 1302 CE1 TYR E 184 26.006 58.124 21.994 1.00 19.68 C ATOM 1303 CE2 TYR E 184 27.750 57.236 23.387 1.00 19.99 C ATOM 1304 CZ TYR E 184 26.582 57.058 22.663 1.00 19.94 C ATOM 1305 OH TYR E 184 25.994 55.812 22.612 1.00 22.98 O ATOM 1306 N LEU E 185 29.265 63.406 25.136 1.00 16.98 N ATOM 1307 CA LEU E 185 29.974 64.662 25.332 1.00 16.89 C ATOM 1308 C LEU E 185 31.068 64.965 24.308 1.00 16.82 C ATOM 1309 O LEU E 185 31.421 66.128 24.113 1.00 17.08 O ATOM 1310 CB LEU E 185 30.545 64.731 26.752 1.00 17.90 C ATOM 1311 CG LEU E 185 29.504 64.719 27.876 1.00 18.84 C ATOM 1312 CD1 LEU E 185 30.201 64.797 29.227 1.00 19.18 C ATOM 1313 CD2 LEU E 185 28.548 65.893 27.717 1.00 18.88 C ATOM 1314 N GLU E 186 31.591 63.936 23.646 1.00 17.94 N ATOM 1315 CA GLU E 186 32.645 64.155 22.654 1.00 19.96 C ATOM 1316 C GLU E 186 32.094 64.711 21.341 1.00 19.90 C ATOM 1317 O GLU E 186 32.854 65.173 20.491 1.00 19.82 O ATOM 1318 CB GLU E 186 33.447 62.874 22.399 1.00 21.94 C ATOM 1319 CG GLU E 186 32.701 61.777 21.653 1.00 27.87 C ATOM 1320 CD GLU E 186 33.581 60.578 21.328 1.00 31.45 C ATOM 1321 OE1 GLU E 186 34.745 60.531 21.788 1.00 33.92 O ATOM 1322 OE2 GLU E 186 33.103 59.675 20.609 1.00 34.55 O ATOM 1323 N GLY E 187 30.770 64.691 21.201 1.00 19.44 N ATOM 1324 CA GLY E 187 30.137 65.197 19.993 1.00 18.85 C ATOM 1325 C GLY E 187 30.010 64.158 18.893 1.00 18.49 C ATOM 1326 O GLY E 187 30.515 63.040 19.019 1.00 18.83 O ATOM 1327 N GLY E 188A 29.288 64.510 17.831 1.00 16.88 N ATOM 1328 CA GLY E 188A 29.120 63.602 16.710 1.00 15.13 C ATOM 1329 C GLY E 188A 27.829 62.805 16.628 1.00 15.95 C ATOM 1330 O GLY E 188A 27.488 62.298 15.560 1.00 14.93 O ATOM 1331 N LYS E 188 27.125 62.666 17.749 1.00 14.64 N ATOM 1332 CA LYS E 188 25.870 61.910 17.791 1.00 14.91 C ATOM 1333 C LYS E 188 24.839 62.726 18.560 1.00 14.93 C ATOM 1334 O LYS E 188 25.025 63.005 19.744 1.00 15.41 O ATOM 1335 CB LYS E 188 26.082 60.558 18.480 1.00 15.57 C ATOM 1336 CG LYS E 188 26.905 59.560 17.683 1.00 18.41 C ATOM 1337 CD LYS E 188 27.062 58.260 18.460 1.00 20.27 C ATOM 1338 CE LYS E 188 27.811 57.217 17.663 1.00 22.90 C ATOM 1339 NZ LYS E 188 27.962 55.954 18.443 1.00 25.37 N ATOM 1340 N ASP E 189 23.737 63.084 17.903 1.00 14.00 N ATOM 1341 CA ASP E 189 22.729 63.916 18.556 1.00 12.03 C ATOM 1342 C ASP E 189 21.467 64.020 17.704 1.00 11.57 C ATOM 1343 O ASP E 189 21.416 63.523 16.577 1.00 12.57 O ATOM 1344 CB ASP E 189 23.332 65.318 18.723 1.00 11.79 C ATOM 1345 CG ASP E 189 22.645 66.168 19.785 1.00 10.02 C ATOM 1346 OD1 ASP E 189 23.130 67.296 19.999 1.00 10.68 O ATOM 1347 OD2 ASP E 189 21.654 65.733 20.411 1.00 11.77 O ATOM 1348 N SER E 190 20.422 64.602 18.285 1.00 11.54 N ATOM 1349 CA SER E 190 19.183 64.847 17.557 1.00 10.76 C ATOM 1350 C SER E 190 19.398 66.247 16.975 1.00 10.13 C ATOM 1351 O SER E 190 20.233 67.004 17.473 1.00 9.93 O ATOM 1352 CB SER E 190 17.979 64.809 18.506 1.00 9.88 C ATOM 1353 OG SER E 190 18.169 65.658 19.626 1.00 10.01 O ATOM 1354 N CYS E 191 18.652 66.615 15.937 1.00 8.54 N ATOM 1355 CA CYS E 191 18.859 67.921 15.322 1.00 9.43 C ATOM 1356 C CYS E 191 17.557 68.483 14.754 1.00 9.67 C ATOM 1357 O CYS E 191 16.510 67.852 14.890 1.00 9.61 O ATOM 1358 CB CYS E 191 19.928 67.778 14.229 1.00 11.05 C ATOM 1359 SG CYS E 191 20.765 69.311 13.728 1.00 10.52 S ATOM 1360 N GLN E 192 17.626 69.658 14.120 1.00 9.61 N ATOM 1361 CA GLN E 192 16.437 70.304 13.550 1.00 9.15 C ATOM 1362 C GLN E 192 15.623 69.357 12.672 1.00 11.28 C ATOM 1363 O GLN E 192 16.132 68.780 11.709 1.00 9.50 O ATOM 1364 CB GLN E 192 16.810 71.582 12.788 1.00 8.46 C ATOM 1365 CG GLN E 192 17.016 72.804 13.674 1.00 8.35 C ATOM 1366 CD GLN E 192 18.214 72.676 14.608 1.00 9.43 C ATOM 1367 OE1 GLN E 192 19.274 72.206 14.206 1.00 9.61 O ATOM 1368 NE2 GLN E 192 18.045 73.105 15.856 1.00 10.26 N ATOM 1369 N GLY E 193 14.350 69.203 13.034 1.00 9.82 N ATOM 1370 CA GLY E 193 13.460 68.297 12.331 1.00 9.41 C ATOM 1371 C GLY E 193 13.121 67.086 13.189 1.00 9.65 C ATOM 1372 O GLY E 193 12.216 66.321 12.863 1.00 8.02 O ATOM 1373 N ASP E 194 13.870 66.898 14.275 1.00 7.60 N ATOM 1374 CA ASP E 194 13.654 65.778 15.186 1.00 8.15 C ATOM 1375 C ASP E 194 12.754 66.130 16.363 1.00 7.43 C ATOM 1376 O ASP E 194 12.233 65.229 17.017 1.00 9.38 O ATOM 1377 CB ASP E 194 14.988 65.255 15.732 1.00 7.98 C ATOM 1378 CG ASP E 194 15.818 64.553 14.680 1.00 9.22 C ATOM 1379 OD1 ASP E 194 17.060 64.675 14.730 1.00 10.79 O ATOM 1380 OD2 ASP E 194 15.241 63.860 13.819 1.00 9.74 O ATOM 1381 N SER E 195 12.604 67.422 16.650 1.00 8.11 N ATOM 1382 CA SER E 195 11.773 67.889 17.773 1.00 8.41 C ATOM 1383 C SER E 195 10.435 67.189 17.897 1.00 10.48 C ATOM 1384 O SER E 195 9.774 66.907 16.900 1.00 8.73 O ATOM 1385 CB SER E 195 11.518 69.388 17.689 1.00 8.13 C ATOM 1386 OG SER E 195 12.554 70.116 18.312 1.00 7.36 O ATOM 1387 N GLY E 196 10.046 66.910 19.138 1.00 9.59 N ATOM 1388 CA GLY E 196 8.780 66.242 19.381 1.00 10.01 C ATOM 1389 C GLY E 196 8.875 64.732 19.314 1.00 10.85 C ATOM 1390 O GLY E 196 7.992 64.025 19.818 1.00 10.66 O ATOM 1391 N GLY E 197 9.951 64.246 18.691 1.00 9.21 N ATOM 1392 CA GLY E 197 10.186 62.826 18.531 1.00 9.43 C ATOM 1393 C GLY E 197 10.517 62.090 19.816 1.00 8.85 C ATOM 1394 O GLY E 197 10.775 62.711 20.842 1.00 10.80 O ATOM 1395 N PRO E 198 10.586 60.758 19.754 1.00 9.87 N ATOM 1396 CA PRO E 198 10.873 59.883 20.893 1.00 10.01 C ATOM 1397 C PRO E 198 12.303 59.603 21.329 1.00 11.97 C ATOM 1398 O PRO E 198 13.244 59.597 20.532 1.00 11.23 O ATOM 1399 CB PRO E 198 10.224 58.578 20.459 1.00 10.95 C ATOM 1400 CG PRO E 198 10.560 58.543 18.989 1.00 11.58 C ATOM 1401 CD PRO E 198 10.237 59.964 18.559 1.00 8.77 C ATOM 1402 N VAL E 199 12.416 59.327 22.625 1.00 11.69 N ATOM 1403 CA VAL E 199 13.646 58.891 23.276 1.00 11.81 C ATOM 1404 C VAL E 199 13.035 57.741 24.073 1.00 11.77 C ATOM 1405 O VAL E 199 12.299 57.970 25.036 1.00 13.23 O ATOM 1406 CB VAL E 199 14.237 59.911 24.269 1.00 12.12 C ATOM 1407 CG1 VAL E 199 15.429 59.279 25.010 1.00 13.10 C ATOM 1408 CG2 VAL E 199 14.682 61.161 23.544 1.00 13.17 C ATOM 1409 N VAL E 200 13.216 56.527 23.571 1.00 12.42 N ATOM 1410 CA VAL E 200 12.665 55.340 24.209 1.00 14.15 C ATOM 1411 C VAL E 200 13.750 54.521 24.893 1.00 15.05 C ATOM 1412 O VAL E 200 14.773 54.203 24.290 1.00 15.12 O ATOM 1413 CB VAL E 200 11.911 54.472 23.175 1.00 14.09 C ATOM 1414 CG1 VAL E 200 11.547 53.113 23.764 1.00 15.25 C ATOM 1415 CG2 VAL E 200 10.656 55.200 22.722 1.00 14.50 C ATOM 1416 N CYS E 201 13.511 54.179 26.156 1.00 16.30 N ATOM 1417 CA CYS E 201 14.471 53.402 26.931 1.00 17.32 C ATOM 1418 C CYS E 201 13.744 52.218 27.546 1.00 18.42 C ATOM 1419 O CYS E 201 12.757 52.398 28.260 1.00 18.21 O ATOM 1420 CB CYS E 201 15.072 54.266 28.042 1.00 15.28 C ATOM 1421 SG CYS E 201 15.375 56.004 27.580 1.00 16.12 S ATOM 1422 N SER E 202 14.216 51.013 27.241 1.00 19.53 N ATOM 1423 CA SER E 202 13.619 49.788 27.764 1.00 21.64 C ATOM 1424 C SER E 202 12.118 49.707 27.465 1.00 21.26 C ATOM 1425 O SER E 202 11.320 49.354 28.335 1.00 21.89 O ATOM 1426 CB SER E 202 13.868 49.687 29.275 1.00 24.01 C ATOM 1427 OG SER E 202 15.256 49.758 29.569 1.00 28.38 O ATOM 1428 N GLY E 203 11.746 50.086 26.243 1.00 20.25 N ATOM 1429 CA GLY E 203 10.355 50.042 25.819 1.00 19.88 C ATOM 1430 C GLY E 203 9.422 51.090 26.402 1.00 18.97 C ATOM 1431 O GLY E 203 8.201 50.961 26.286 1.00 20.02 O ATOM 1432 N LYS E 204 9.980 52.125 27.023 1.00 17.45 N ATOM 1433 CA LYS E 204 9.175 53.187 27.623 1.00 17.80 C ATOM 1434 C LYS E 204 9.563 54.547 27.047 1.00 16.93 C ATOM 1435 O LYS E 204 10.745 54.820 26.838 1.00 17.39 O ATOM 1436 CB LYS E 204 9.380 53.221 29.145 1.00 19.79 C ATOM 1437 CG LYS E 204 9.157 51.897 29.867 1.00 22.15 C ATOM 1438 CD LYS E 204 7.725 51.405 29.730 1.00 24.27 C ATOM 1439 CE LYS E 204 7.519 50.102 30.489 1.00 27.16 C ATOM 1440 NZ LYS E 204 6.126 49.595 30.351 1.00 28.81 N ATOM 1441 N LEU E 209 8.574 55.404 26.809 1.00 14.83 N ATOM 1442 CA LEU E 209 8.843 56.737 26.278 1.00 14.41 C ATOM 1443 C LEU E 209 9.344 57.633 27.410 1.00 13.33 C ATOM 1444 O LEU E 209 8.556 58.142 28.207 1.00 14.50 O ATOM 1445 CB LEU E 209 7.579 57.337 25.650 1.00 12.98 C ATOM 1446 CG LEU E 209 7.739 58.735 25.041 1.00 13.67 C ATOM 1447 CD1 LEU E 209 8.642 58.662 23.816 1.00 12.57 C ATOM 1448 CD2 LEU E 209 6.379 59.314 24.668 1.00 13.28 C ATOM 1449 N GLN E 210 10.658 57.820 27.481 1.00 13.00 N ATOM 1450 CA GLN E 210 11.254 58.646 28.528 1.00 12.92 C ATOM 1451 C GLN E 210 11.485 60.101 28.146 1.00 11.96 C ATOM 1452 O GLN E 210 11.542 60.971 29.014 1.00 12.03 O ATOM 1453 CB GLN E 210 12.576 58.035 29.009 1.00 13.49 C ATOM 1454 CG GLN E 210 12.442 56.688 29.719 1.00 14.77 C ATOM 1455 CD GLN E 210 11.801 56.789 31.097 1.00 16.67 C ATOM 1456 OE1 GLN E 210 11.484 57.877 31.578 1.00 17.50 O ATOM 1457 NE2 GLN E 210 11.625 55.644 31.746 1.00 16.29 N ATOM 1458 N GLY E 211 11.611 60.376 26.852 1.00 11.95 N ATOM 1459 CA GLY E 211 11.852 61.747 26.449 1.00 10.70 C ATOM 1460 C GLY E 211 11.247 62.210 25.141 1.00 9.20 C ATOM 1461 O GLY E 211 10.779 61.417 24.321 1.00 10.34 O ATOM 1462 N ILE E 212 11.252 63.526 24.985 1.00 9.50 N ATOM 1463 CA ILE E 212 10.753 64.207 23.798 1.00 9.39 C ATOM 1464 C ILE E 212 11.897 65.108 23.322 1.00 9.07 C ATOM 1465 O ILE E 212 12.434 65.900 24.104 1.00 8.99 O ATOM 1466 CB ILE E 212 9.550 65.107 24.146 1.00 10.06 C ATOM 1467 CG1 ILE E 212 8.425 64.283 24.773 1.00 11.45 C ATOM 1468 CG2 ILE E 212 9.049 65.839 22.898 1.00 9.27 C ATOM 1469 CD1 ILE E 212 7.335 65.143 25.393 1.00 9.67 C ATOM 1470 N VAL E 213 12.277 64.982 22.050 1.00 9.74 N ATOM 1471 CA VAL E 213 13.345 65.817 21.499 1.00 9.27 C ATOM 1472 C VAL E 213 12.927 67.270 21.693 1.00 9.96 C ATOM 1473 O VAL E 213 11.850 67.679 21.250 1.00 9.46 O ATOM 1474 CB VAL E 213 13.577 65.530 20.002 1.00 8.83 C ATOM 1475 CG1 VAL E 213 14.656 66.451 19.459 1.00 7.99 C ATOM 1476 CG2 VAL E 213 13.978 64.087 19.799 1.00 7.74 C ATOM 1477 N SER E 214 13.779 68.052 22.349 1.00 8.30 N ATOM 1478 CA SER E 214 13.451 69.439 22.647 1.00 8.37 C ATOM 1479 C SER E 214 14.408 70.511 22.125 1.00 9.11 C ATOM 1480 O SER E 214 14.048 71.270 21.226 1.00 9.78 O ATOM 1481 CB SER E 214 13.226 69.591 24.166 1.00 6.89 C ATOM 1482 OG SER E 214 12.809 70.892 24.525 1.00 7.26 O ATOM 1483 N TRP E 215 15.617 70.592 22.682 1.00 8.84 N ATOM 1484 CA TRP E 215 16.557 71.627 22.247 1.00 9.02 C ATOM 1485 C TRP E 215 18.008 71.291 22.560 1.00 8.54 C ATOM 1486 O TRP E 215 18.309 70.215 23.067 1.00 9.01 O ATOM 1487 CB TRP E 215 16.207 72.966 22.910 1.00 10.16 C ATOM 1488 CG TRP E 215 16.345 72.975 24.421 1.00 11.10 C ATOM 1489 CD1 TRP E 215 15.429 72.520 25.332 1.00 12.09 C ATOM 1490 CD2 TRP E 215 17.448 73.487 25.185 1.00 11.34 C ATOM 1491 NE1 TRP E 215 15.892 72.722 26.614 1.00 11.27 N ATOM 1492 CE2 TRP E 215 17.129 73.312 26.553 1.00 11.83 C ATOM 1493 CE3 TRP E 215 18.676 74.075 24.847 1.00 11.74 C ATOM 1494 CZ2 TRP E 215 17.994 73.702 27.582 1.00 12.44 C ATOM 1495 CZ3 TRP E 215 19.538 74.464 25.872 1.00 11.79 C ATOM 1496 CH2 TRP E 215 19.191 74.275 27.223 1.00 11.44 C ATOM 1497 N GLY E 216 18.894 72.222 22.217 1.00 10.18 N ATOM 1498 CA GLY E 216 20.317 72.059 22.481 1.00 9.99 C ATOM 1499 C GLY E 216 21.114 73.173 21.828 1.00 11.81 C ATOM 1500 O GLY E 216 20.548 74.019 21.132 1.00 11.45 O ATOM 1501 N SER E 217 22.412 73.239 22.120 1.00 11.72 N ATOM 1502 CA SER E 217 23.270 74.248 21.502 1.00 12.47 C ATOM 1503 C SER E 217 23.759 73.594 20.216 1.00 12.34 C ATOM 1504 O SER E 217 24.660 72.758 20.235 1.00 12.30 O ATOM 1505 CB SER E 217 24.455 74.598 22.409 1.00 13.58 C ATOM 1506 OG SER E 217 25.320 75.534 21.780 1.00 17.48 O ATOM 1507 N GLY E 219 23.120 73.939 19.102 1.00 13.01 N ATOM 1508 CA GLY E 219 23.481 73.331 17.837 1.00 11.64 C ATOM 1509 C GLY E 219 23.131 71.854 17.883 1.00 12.33 C ATOM 1510 O GLY E 219 22.211 71.449 18.608 1.00 12.19 O ATOM 1511 N CYS E 220 23.877 71.046 17.135 1.00 12.03 N ATOM 1512 CA CYS E 220 23.663 69.604 17.087 1.00 11.90 C ATOM 1513 C CYS E 220 24.997 68.876 17.071 1.00 12.66 C ATOM 1514 O CYS E 220 25.892 69.232 16.306 1.00 14.37 O ATOM 1515 CB CYS E 220 22.916 69.202 15.816 1.00 12.01 C ATOM 1516 SG CYS E 220 21.398 70.131 15.476 1.00 11.65 S ATOM 1517 N ALA E 221A 25.109 67.839 17.895 1.00 12.71 N ATOM 1518 CA ALA E 221A 26.314 67.020 17.966 1.00 13.36 C ATOM 1519 C ALA E 221A 27.605 67.776 18.281 1.00 13.08 C ATOM 1520 O ALA E 221A 28.695 67.334 17.902 1.00 14.11 O ATOM 1521 CB ALA E 221A 26.467 66.220 16.680 1.00 13.16 C ATOM 1522 N GLN E 221 27.487 68.910 18.963 1.00 14.09 N ATOM 1523 CA GLN E 221 28.664 69.696 19.326 1.00 16.21 C ATOM 1524 C GLN E 221 29.296 69.116 20.585 1.00 17.20 C ATOM 1525 O GLN E 221 28.600 68.561 21.434 1.00 16.68 O ATOM 1526 CB GLN E 221 28.294 71.165 19.567 1.00 18.31 C ATOM 1527 CG GLN E 221 27.756 71.888 18.339 1.00 22.13 C ATOM 1528 CD GLN E 221 28.680 71.766 17.143 1.00 26.36 C ATOM 1529 OE1 GLN E 221 28.364 71.083 16.169 1.00 28.36 O ATOM 1530 NE2 GLN E 221 29.836 72.418 17.214 1.00 27.48 N ATOM 1531 N LYS E 222 30.616 69.233 20.694 1.00 16.46 N ATOM 1532 CA LYS E 222 31.330 68.739 21.867 1.00 16.81 C ATOM 1533 C LYS E 222 30.842 69.479 23.107 1.00 15.47 C ATOM 1534 O LYS E 222 30.597 70.685 23.061 1.00 14.34 O ATOM 1535 CB LYS E 222 32.849 68.933 21.691 1.00 19.09 C ATOM 1536 CG LYS E 222 33.711 68.462 22.879 1.00 23.70 C ATOM 1537 CD LYS E 222 35.199 68.497 22.517 1.00 27.57 C ATOM 1538 CE LYS E 222 36.104 68.121 23.697 1.00 30.41 C ATOM 1539 NZ LYS E 222 36.252 69.218 24.711 1.00 32.68 N ATOM 1540 N ASN E 223 30.643 68.730 24.191 1.00 16.05 N ATOM 1541 CA ASN E 223 30.190 69.273 25.470 1.00 15.84 C ATOM 1542 C ASN E 223 28.775 69.854 25.448 1.00 15.44 C ATOM 1543 O ASN E 223 28.355 70.510 26.401 1.00 15.45 O ATOM 1544 CB ASN E 223 31.174 70.331 25.984 1.00 18.03 C ATOM 1545 CG ASN E 223 32.591 69.799 26.111 1.00 20.46 C ATOM 1546 OD1 ASN E 223 32.804 68.650 26.495 1.00 22.65 O ATOM 1547 ND2 ASN E 223 33.565 70.632 25.770 1.00 23.03 N ATOM 1548 N LYS E 224 28.040 69.602 24.368 1.00 15.17 N ATOM 1549 CA LYS E 224 26.680 70.118 24.235 1.00 14.44 C ATOM 1550 C LYS E 224 25.699 69.021 23.823 1.00 13.98 C ATOM 1551 O LYS E 224 25.240 68.972 22.677 1.00 13.35 O ATOM 1552 CB LYS E 224 26.650 71.270 23.220 1.00 15.19 C ATOM 1553 CG LYS E 224 27.488 72.486 23.608 1.00 17.71 C ATOM 1554 CD LYS E 224 26.962 73.161 24.865 1.00 20.33 C ATOM 1555 CE LYS E 224 27.737 74.431 25.170 1.00 23.74 C ATOM 1556 NZ LYS E 224 27.146 75.182 26.314 1.00 26.56 N ATOM 1557 N PRO E 225 25.364 68.116 24.757 1.00 12.66 N ATOM 1558 CA PRO E 225 24.430 67.026 24.463 1.00 11.85 C ATOM 1559 C PRO E 225 23.010 67.553 24.268 1.00 10.23 C ATOM 1560 O PRO E 225 22.685 68.645 24.718 1.00 11.54 O ATOM 1561 CB PRO E 225 24.526 66.154 25.716 1.00 12.09 C ATOM 1562 CG PRO E 225 24.786 67.154 26.796 1.00 12.78 C ATOM 1563 CD PRO E 225 25.825 68.051 26.157 1.00 14.05 C ATOM 1564 N GLY E 226 22.172 66.770 23.599 1.00 10.90 N ATOM 1565 CA GLY E 226 20.799 67.197 23.385 1.00 11.04 C ATOM 1566 C GLY E 226 20.001 67.238 24.678 1.00 12.56 C ATOM 1567 O GLY E 226 20.252 66.449 25.595 1.00 11.90 O ATOM 1568 N VAL E 227 19.054 68.169 24.754 1.00 11.21 N ATOM 1569 CA VAL E 227 18.192 68.318 25.924 1.00 10.57 C ATOM 1570 C VAL E 227 16.812 67.785 25.546 1.00 12.27 C ATOM 1571 O VAL E 227 16.308 68.056 24.454 1.00 11.13 O ATOM 1572 CB VAL E 227 18.101 69.779 26.391 1.00 10.76 C ATOM 1573 CG1 VAL E 227 17.278 69.871 27.675 1.00 11.94 C ATOM 1574 CG2 VAL E 227 19.506 70.343 26.627 1.00 12.24 C ATOM 1575 N TYR E 228 16.205 67.041 26.463 1.00 9.88 N ATOM 1576 CA TYR E 228 14.920 66.405 26.220 1.00 11.11 C ATOM 1577 C TYR E 228 13.927 66.615 27.357 1.00 11.71 C ATOM 1578 O TYR E 228 14.315 66.772 28.511 1.00 11.36 O ATOM 1579 CB TYR E 228 15.154 64.902 26.035 1.00 11.28 C ATOM 1580 CG TYR E 228 16.112 64.584 24.908 1.00 11.37 C ATOM 1581 CD1 TYR E 228 15.635 64.332 23.629 1.00 12.10 C ATOM 1582 CD2 TYR E 228 17.497 64.585 25.109 1.00 12.47 C ATOM 1583 CE1 TYR E 228 16.498 64.094 22.569 1.00 10.98 C ATOM 1584 CE2 TYR E 228 18.377 64.347 24.046 1.00 10.89 C ATOM 1585 CZ TYR E 228 17.866 64.105 22.780 1.00 13.26 C ATOM 1586 OH TYR E 228 18.706 63.894 21.710 1.00 11.28 O ATOM 1587 N THR E 229 12.641 66.630 27.014 1.00 10.26 N ATOM 1588 CA THR E 229 11.589 66.790 28.006 1.00 10.37 C ATOM 1589 C THR E 229 11.473 65.483 28.783 1.00 10.00 C ATOM 1590 O THR E 229 11.423 64.405 28.191 1.00 10.05 O ATOM 1591 CB THR E 229 10.241 67.114 27.346 1.00 10.41 C ATOM 1592 OG1 THR E 229 10.418 68.213 26.445 1.00 10.86 O ATOM 1593 CG2 THR E 229 9.208 67.502 28.407 1.00 10.08 C ATOM 1594 N LYS E 230 11.444 65.589 30.109 1.00 12.94 N ATOM 1595 CA LYS E 230 11.354 64.422 30.989 1.00 13.04 C ATOM 1596 C LYS E 230 9.912 63.921 31.106 1.00 13.49 C ATOM 1597 O LYS E 230 9.171 64.338 31.999 1.00 13.38 O ATOM 1598 CB LYS E 230 11.915 64.792 32.369 1.00 15.48 C ATOM 1599 CG LYS E 230 12.218 63.606 33.258 1.00 19.48 C ATOM 1600 CD LYS E 230 13.092 64.038 34.429 1.00 24.17 C ATOM 1601 CE LYS E 230 13.622 62.834 35.193 1.00 25.99 C ATOM 1602 NZ LYS E 230 14.641 63.216 36.225 1.00 29.99 N ATOM 1603 N VAL E 231 9.555 62.993 30.225 1.00 12.40 N ATOM 1604 CA VAL E 231 8.209 62.420 30.163 1.00 12.30 C ATOM 1605 C VAL E 231 7.725 61.769 31.463 1.00 14.15 C ATOM 1606 O VAL E 231 6.528 61.804 31.773 1.00 13.64 O ATOM 1607 CB VAL E 231 8.102 61.396 29.009 1.00 12.18 C ATOM 1608 CG1 VAL E 231 6.703 60.792 28.935 1.00 11.47 C ATOM 1609 CG2 VAL E 231 8.419 62.083 27.682 1.00 12.73 C ATOM 1610 N CYS E 232 8.653 61.216 32.239 1.00 14.46 N ATOM 1611 CA CYS E 232 8.287 60.559 33.494 1.00 15.44 C ATOM 1612 C CYS E 232 7.647 61.500 34.514 1.00 16.38 C ATOM 1613 O CYS E 232 6.950 61.046 35.420 1.00 18.69 O ATOM 1614 CB CYS E 232 9.492 59.836 34.099 1.00 16.97 C ATOM 1615 SG CYS E 232 10.866 60.911 34.611 1.00 17.09 S ATOM 1616 N ASN E 233 7.854 62.805 34.349 1.00 14.08 N ATOM 1617 CA ASN E 233 7.278 63.797 35.255 1.00 13.76 C ATOM 1618 C ASN E 233 5.845 64.174 34.872 1.00 15.14 C ATOM 1619 O ASN E 233 5.151 64.831 35.647 1.00 16.37 O ATOM 1620 CB ASN E 233 8.116 65.079 35.253 1.00 15.73 C ATOM 1621 CG ASN E 233 9.450 64.916 35.953 1.00 16.40 C ATOM 1622 OD1 ASN E 233 9.785 63.837 36.442 1.00 18.75 O ATOM 1623 ND2 ASN E 233 10.223 65.995 35.996 1.00 17.36 N ATOM 1624 N TYR E 234 5.410 63.753 33.686 1.00 14.76 N ATOM 1625 CA TYR E 234 4.082 64.107 33.180 1.00 14.93 C ATOM 1626 C TYR E 234 3.086 62.975 32.973 1.00 15.35 C ATOM 1627 O TYR E 234 2.006 63.209 32.431 1.00 14.66 O ATOM 1628 CB TYR E 234 4.232 64.848 31.847 1.00 13.89 C ATOM 1629 CG TYR E 234 5.077 66.089 31.934 1.00 11.85 C ATOM 1630 CD1 TYR E 234 4.512 67.317 32.263 1.00 11.72 C ATOM 1631 CD2 TYR E 234 6.453 66.034 31.705 1.00 13.03 C ATOM 1632 CE1 TYR E 234 5.288 68.460 32.366 1.00 12.74 C ATOM 1633 CE2 TYR E 234 7.240 67.169 31.804 1.00 12.34 C ATOM 1634 CZ TYR E 234 6.656 68.376 32.134 1.00 11.60 C ATOM 1635 OH TYR E 234 7.423 69.504 32.232 1.00 13.83 O ATOM 1636 N VAL E 235 3.421 61.768 33.412 1.00 14.84 N ATOM 1637 CA VAL E 235 2.534 60.626 33.215 1.00 15.26 C ATOM 1638 C VAL E 235 1.086 60.815 33.686 1.00 15.44 C ATOM 1639 O VAL E 235 0.152 60.522 32.936 1.00 14.71 O ATOM 1640 CB VAL E 235 3.143 59.324 33.782 1.00 16.66 C ATOM 1641 CG1 VAL E 235 2.174 58.160 33.609 1.00 17.36 C ATOM 1642 CG2 VAL E 235 4.443 59.012 33.048 1.00 17.54 C ATOM 1643 N ASER E 236 0.906 61.304 34.911 0.33 15.33 N ATOM 1644 N BSER E 236 0.903 61.304 34.912 0.33 15.29 N ATOM 1645 N CSER E 236 0.910 61.309 34.909 0.33 15.51 N ATOM 1646 CA ASER E 236 -0.433 61.527 35.449 0.33 15.45 C ATOM 1647 CA BSER E 236 -0.442 61.518 35.443 0.33 15.35 C ATOM 1648 CA CSER E 236 -0.425 61.534 35.457 0.33 15.79 C ATOM 1649 C ASER E 236 -1.185 62.584 34.642 0.33 15.12 C ATOM 1650 C BSER E 236 -1.188 62.583 34.639 0.33 15.07 C ATOM 1651 C CSER E 236 -1.181 62.580 34.639 0.33 15.31 C ATOM 1652 O ASER E 236 -2.373 62.424 34.355 0.33 15.00 O ATOM 1653 O BSER E 236 -2.376 62.429 34.351 0.33 14.95 O ATOM 1654 O CSER E 236 -2.365 62.411 34.345 0.33 15.16 O ATOM 1655 CB ASER E 236 -0.362 61.940 36.921 0.33 15.75 C ATOM 1656 CB BSER E 236 -0.394 61.903 36.927 0.33 15.60 C ATOM 1657 CB CSER E 236 -0.338 61.983 36.919 0.33 16.36 C ATOM 1658 OG ASER E 236 0.111 60.872 37.722 0.33 15.80 O ATOM 1659 OG BSER E 236 0.243 63.151 37.125 0.33 15.35 O ATOM 1660 OG CSER E 236 -1.629 62.175 37.473 0.33 17.48 O ATOM 1661 N TRP E 237 -0.479 63.646 34.258 1.00 14.76 N ATOM 1662 CA TRP E 237 -1.069 64.733 33.473 1.00 14.99 C ATOM 1663 C TRP E 237 -1.474 64.228 32.092 1.00 15.03 C ATOM 1664 O TRP E 237 -2.560 64.548 31.601 1.00 14.55 O ATOM 1665 CB TRP E 237 -0.086 65.904 33.328 1.00 14.81 C ATOM 1666 CG TRP E 237 -0.598 67.000 32.435 1.00 15.63 C ATOM 1667 CD1 TRP E 237 -1.512 67.965 32.757 1.00 14.99 C ATOM 1668 CD2 TRP E 237 -0.257 67.214 31.059 1.00 15.84 C ATOM 1669 NE1 TRP E 237 -1.767 68.762 31.665 1.00 15.81 N ATOM 1670 CE2 TRP E 237 -1.012 68.322 30.609 1.00 16.47 C ATOM 1671 CE3 TRP E 237 0.607 66.573 30.160 1.00 16.84 C ATOM 1672 CZ2 TRP E 237 -0.924 68.807 29.299 1.00 15.73 C ATOM 1673 CZ3 TRP E 237 0.693 67.057 28.854 1.00 16.99 C ATOM 1674 CH2 TRP E 237 -0.071 68.160 28.439 1.00 16.49 C ATOM 1675 N ILE E 238 -0.607 63.425 31.479 1.00 14.09 N ATOM 1676 CA ILE E 238 -0.890 62.875 30.156 1.00 14.21 C ATOM 1677 C ILE E 238 -2.165 62.016 30.190 1.00 15.11 C ATOM 1678 O ILE E 238 -3.100 62.253 29.423 1.00 14.83 O ATOM 1679 CB ILE E 238 0.296 62.025 29.624 1.00 14.28 C ATOM 1680 CG1 ILE E 238 1.516 62.919 29.403 1.00 13.61 C ATOM 1681 CG2 ILE E 238 -0.086 61.330 28.319 1.00 14.14 C ATOM 1682 CD1 ILE E 238 2.759 62.141 28.989 1.00 12.69 C ATOM 1683 N LYS E 239 -2.212 61.058 31.117 1.00 15.15 N ATOM 1684 CA LYS E 239 -3.366 60.169 31.251 1.00 15.94 C ATOM 1685 C LYS E 239 -4.671 60.927 31.518 1.00 15.15 C ATOM 1686 O LYS E 239 -5.673 60.701 30.830 1.00 15.26 O ATOM 1687 CB LYS E 239 -3.123 59.114 32.341 1.00 16.36 C ATOM 1688 CG LYS E 239 -2.071 58.072 31.962 1.00 17.82 C ATOM 1689 CD LYS E 239 -1.613 57.255 33.165 1.00 21.72 C ATOM 1690 CE LYS E 239 -2.778 56.537 33.839 1.00 25.94 C ATOM 1691 NZ LYS E 239 -2.365 55.957 35.156 1.00 27.64 N ATOM 1692 N GLN E 240 -4.645 61.854 32.473 1.00 15.09 N ATOM 1693 CA GLN E 240 -5.841 62.618 32.798 1.00 14.60 C ATOM 1694 C GLN E 240 -6.277 63.538 31.654 1.00 16.08 C ATOM 1695 O GLN E 240 -7.471 63.666 31.370 1.00 16.47 O ATOM 1696 CB GLN E 240 -5.643 63.432 34.078 1.00 15.52 C ATOM 1697 CG GLN E 240 -6.920 64.104 34.627 1.00 16.83 C ATOM 1698 CD GLN E 240 -8.013 63.109 35.014 1.00 16.52 C ATOM 1699 OE1 GLN E 240 -7.742 61.941 35.285 1.00 16.42 O ATOM 1700 NE2 GLN E 240 -9.260 63.578 35.034 1.00 17.39 N ATOM 1701 N THR E 241 -5.315 64.175 30.991 1.00 14.55 N ATOM 1702 CA THR E 241 -5.626 65.078 29.886 1.00 14.35 C ATOM 1703 C THR E 241 -6.274 64.356 28.705 1.00 13.99 C ATOM 1704 O THR E 241 -7.269 64.835 28.160 1.00 15.01 O ATOM 1705 CB THR E 241 -4.376 65.848 29.429 1.00 13.25 C ATOM 1706 OG1 THR E 241 -3.877 66.620 30.528 1.00 14.50 O ATOM 1707 CG2 THR E 241 -4.719 66.795 28.288 1.00 14.85 C ATOM 1708 N AILE E 242 -5.716 63.206 28.341 0.50 14.29 N ATOM 1709 N BILE E 242 -5.723 63.210 28.307 0.50 14.12 N ATOM 1710 CA AILE E 242 -6.232 62.391 27.246 0.50 14.96 C ATOM 1711 CA BILE E 242 -6.297 62.469 27.185 0.50 14.60 C ATOM 1712 C AILE E 242 -7.658 61.938 27.553 0.50 15.51 C ATOM 1713 C BILE E 242 -7.672 61.893 27.532 0.50 15.33 C ATOM 1714 O AILE E 242 -8.545 62.001 26.702 0.50 14.91 O ATOM 1715 O BILE E 242 -8.539 61.779 26.664 0.50 14.84 O ATOM 1716 CB AILE E 242 -5.348 61.132 27.052 0.50 15.72 C ATOM 1717 CB BILE E 242 -5.347 61.370 26.643 0.50 15.12 C ATOM 1718 CG1AILE E 242 -4.012 61.514 26.418 0.50 16.50 C ATOM 1719 CG1BILE E 242 -5.057 60.315 27.705 0.50 15.14 C ATOM 1720 CG2AILE E 242 -6.069 60.070 26.226 0.50 15.80 C ATOM 1721 CG2BILE E 242 -4.044 61.999 26.160 0.50 13.44 C ATOM 1722 CD1AILE E 242 -3.039 60.368 26.361 0.50 17.64 C ATOM 1723 CD1BILE E 242 -4.127 59.224 27.226 0.50 17.02 C ATOM 1724 N ALA E 243 -7.867 61.535 28.801 1.00 15.75 N ATOM 1725 CA ALA E 243 -9.156 61.024 29.261 1.00 16.73 C ATOM 1726 C ALA E 243 -10.220 62.114 29.365 1.00 17.50 C ATOM 1727 O ALA E 243 -11.417 61.819 29.329 1.00 17.63 O ATOM 1728 CB ALA E 243 -8.989 60.331 30.605 1.00 16.11 C ATOM 1729 N ASER E 244 -9.786 63.363 29.502 0.50 17.18 N ATOM 1730 N BSER E 244 -9.779 63.362 29.496 0.50 17.11 N ATOM 1731 CA ASER E 244 -10.708 64.489 29.613 0.50 18.11 C ATOM 1732 CA BSER E 244 -10.684 64.503 29.616 0.50 17.99 C ATOM 1733 C ASER E 244 -10.885 65.247 28.296 0.50 18.00 C ATOM 1734 C BSER E 244 -10.874 65.252 28.296 0.50 17.93 C ATOM 1735 O ASER E 244 -11.351 66.388 28.285 0.50 18.29 O ATOM 1736 O BSER E 244 -11.345 66.390 28.282 0.50 18.23 O ATOM 1737 CB ASER E 244 -10.251 65.445 30.722 0.50 18.83 C ATOM 1738 CB BSER E 244 -10.166 65.467 30.686 0.50 18.58 C ATOM 1739 OG ASER E 244 -8.945 65.934 30.481 0.50 20.31 O ATOM 1740 OG BSER E 244 -10.043 64.818 31.940 0.50 19.95 O ATOM 1741 N ASN E 245 -10.518 64.606 27.190 1.00 18.16 N ATOM 1742 CA ASN E 245 -10.639 65.216 25.864 1.00 19.45 C ATOM 1743 C ASN E 245 -11.015 64.193 24.793 1.00 19.34 C ATOM 1744 O ASN E 245 -11.065 64.580 23.605 1.00 20.01 O ATOM 1745 CB ASN E 245 -9.330 65.923 25.475 1.00 19.67 C ATOM 1746 CG ASN E 245 -9.110 67.219 26.237 1.00 21.15 C ATOM 1747 OD1 ASN E 245 -9.669 68.258 25.889 1.00 22.87 O ATOM 1748 ND2 ASN E 245 -8.286 67.165 27.279 1.00 21.08 N ATOM 1749 OXT ASN E 245 -11.279 63.024 25.143 1.00 18.24 O TER 1750 ASN E 245 ATOM 1751 C ARG I 1 18.698 101.037 15.513 1.00 30.58 C ATOM 1752 O ARG I 1 18.403 101.256 14.335 1.00 32.27 O ATOM 1753 N PRO I 2 19.306 99.903 15.900 1.00 29.44 N ATOM 1754 CA PRO I 2 19.617 98.751 15.043 1.00 28.24 C ATOM 1755 C PRO I 2 18.362 98.202 14.367 1.00 25.81 C ATOM 1756 O PRO I 2 17.357 97.933 15.026 1.00 27.29 O ATOM 1757 CB PRO I 2 20.199 97.737 16.034 1.00 28.73 C ATOM 1758 CG PRO I 2 20.825 98.607 17.080 1.00 29.82 C ATOM 1759 CD PRO I 2 19.767 99.665 17.278 1.00 30.24 C ATOM 1760 N ASP I 3 18.420 98.064 13.047 1.00 22.84 N ATOM 1761 CA ASP I 3 17.292 97.554 12.275 1.00 19.04 C ATOM 1762 C ASP I 3 17.255 96.031 12.386 1.00 16.77 C ATOM 1763 O ASP I 3 18.159 95.354 11.905 1.00 15.57 O ATOM 1764 CB ASP I 3 17.442 97.978 10.810 1.00 19.32 C ATOM 1765 CG ASP I 3 16.198 97.706 9.982 1.00 20.03 C ATOM 1766 OD1 ASP I 3 15.310 96.953 10.430 1.00 19.29 O ATOM 1767 OD2 ASP I 3 16.112 98.256 8.868 1.00 21.62 O ATOM 1768 N PHE I 4 16.201 95.488 12.996 1.00 14.35 N ATOM 1769 CA PHE I 4 16.109 94.039 13.141 1.00 11.94 C ATOM 1770 C PHE I 4 16.010 93.315 11.801 1.00 10.55 C ATOM 1771 O PHE I 4 16.282 92.123 11.717 1.00 10.15 O ATOM 1772 CB PHE I 4 14.979 93.620 14.102 1.00 12.21 C ATOM 1773 CG PHE I 4 13.586 93.938 13.616 1.00 12.40 C ATOM 1774 CD1 PHE I 4 12.978 93.156 12.635 1.00 11.79 C ATOM 1775 CD2 PHE I 4 12.857 94.975 14.191 1.00 11.07 C ATOM 1776 CE1 PHE I 4 11.664 93.397 12.238 1.00 11.71 C ATOM 1777 CE2 PHE I 4 11.540 95.224 13.800 1.00 12.45 C ATOM 1778 CZ PHE I 4 10.945 94.429 12.820 1.00 11.92 C ATOM 1779 N CYS I 5 15.663 94.059 10.751 1.00 10.92 N ATOM 1780 CA CYS I 5 15.549 93.496 9.407 1.00 11.37 C ATOM 1781 C CYS I 5 16.917 93.154 8.822 1.00 11.85 C ATOM 1782 O CYS I 5 17.011 92.406 7.847 1.00 11.39 O ATOM 1783 CB CYS I 5 14.874 94.494 8.470 1.00 10.95 C ATOM 1784 SG CYS I 5 13.143 94.886 8.855 1.00 12.81 S ATOM 1785 N LEU I 6 17.965 93.731 9.405 1.00 12.30 N ATOM 1786 CA LEU I 6 19.331 93.516 8.936 1.00 13.30 C ATOM 1787 C LEU I 6 20.086 92.446 9.715 1.00 14.37 C ATOM 1788 O LEU I 6 21.263 92.192 9.450 1.00 14.08 O ATOM 1789 CB LEU I 6 20.113 94.837 8.970 1.00 14.69 C ATOM 1790 CG LEU I 6 19.444 96.048 8.315 1.00 18.38 C ATOM 1791 CD1 LEU I 6 20.388 97.243 8.346 1.00 19.49 C ATOM 1792 CD2 LEU I 6 19.044 95.723 6.886 1.00 17.52 C ATOM 1793 N GLU I 7 19.417 91.828 10.685 1.00 12.50 N ATOM 1794 CA GLU I 7 20.034 90.778 11.484 1.00 12.86 C ATOM 1795 C GLU I 7 19.961 89.447 10.746 1.00 13.49 C ATOM 1796 O GLU I 7 18.969 89.153 10.071 1.00 12.17 O ATOM 1797 CB GLU I 7 19.317 90.638 12.832 1.00 14.62 C ATOM 1798 CG GLU I 7 19.384 91.872 13.722 1.00 17.62 C ATOM 1799 CD GLU I 7 20.785 92.169 14.243 1.00 20.84 C ATOM 1800 OE1 GLU I 7 21.025 93.328 14.645 1.00 25.49 O ATOM 1801 OE2 GLU I 7 21.635 91.249 14.275 1.00 20.86 O ATOM 1802 N PRO I 8 21.018 88.625 10.851 1.00 12.97 N ATOM 1803 CA PRO I 8 21.043 87.320 10.187 1.00 13.26 C ATOM 1804 C PRO I 8 19.907 86.470 10.756 1.00 11.91 C ATOM 1805 O PRO I 8 19.514 86.652 11.912 1.00 12.29 O ATOM 1806 CB PRO I 8 22.402 86.750 10.604 1.00 14.75 C ATOM 1807 CG PRO I 8 23.234 87.970 10.824 1.00 16.64 C ATOM 1808 CD PRO I 8 22.285 88.875 11.561 1.00 15.31 C ATOM 1809 N PRO I 9 19.358 85.543 9.956 1.00 11.31 N ATOM 1810 CA PRO I 9 18.263 84.695 10.439 1.00 11.51 C ATOM 1811 C PRO I 9 18.712 83.842 11.617 1.00 10.75 C ATOM 1812 O PRO I 9 19.830 83.336 11.636 1.00 11.58 O ATOM 1813 CB PRO I 9 17.918 83.854 9.211 1.00 11.19 C ATOM 1814 CG PRO I 9 19.229 83.752 8.490 1.00 12.70 C ATOM 1815 CD PRO I 9 19.761 85.154 8.594 1.00 11.33 C ATOM 1816 N TYR I 10 17.828 83.695 12.595 1.00 9.59 N ATOM 1817 CA TYR I 10 18.133 82.940 13.805 1.00 9.60 C ATOM 1818 C TYR I 10 17.302 81.664 13.935 1.00 9.48 C ATOM 1819 O TYR I 10 16.089 81.715 14.157 1.00 9.29 O ATOM 1820 CB TYR I 10 17.919 83.856 15.013 1.00 9.98 C ATOM 1821 CG TYR I 10 18.287 83.251 16.346 1.00 12.14 C ATOM 1822 CD1 TYR I 10 17.304 82.934 17.275 1.00 12.63 C ATOM 1823 CD2 TYR I 10 19.619 83.020 16.688 1.00 13.09 C ATOM 1824 CE1 TYR I 10 17.633 82.404 18.515 1.00 12.93 C ATOM 1825 CE2 TYR I 10 19.959 82.489 17.929 1.00 13.61 C ATOM 1826 CZ TYR I 10 18.959 82.186 18.835 1.00 14.26 C ATOM 1827 OH TYR I 10 19.277 81.671 20.071 1.00 14.54 O ATOM 1828 N THR I 11 17.962 80.519 13.799 1.00 8.98 N ATOM 1829 CA THR I 11 17.288 79.230 13.910 1.00 8.78 C ATOM 1830 C THR I 11 16.844 78.952 15.343 1.00 10.40 C ATOM 1831 O THR I 11 15.747 78.447 15.580 1.00 9.67 O ATOM 1832 CB THR I 11 18.189 78.074 13.412 1.00 10.63 C ATOM 1833 OG1 THR I 11 18.393 78.215 12.000 1.00 10.85 O ATOM 1834 CG2 THR I 11 17.557 76.719 13.691 1.00 9.44 C ATOM 1835 N GLY I 12 17.687 79.306 16.303 1.00 10.45 N ATOM 1836 CA GLY I 12 17.331 79.058 17.688 1.00 10.29 C ATOM 1837 C GLY I 12 17.759 77.674 18.135 1.00 9.55 C ATOM 1838 O GLY I 12 18.114 76.822 17.316 1.00 10.25 O ATOM 1839 N PRO I 13 17.678 77.399 19.442 1.00 9.20 N ATOM 1840 CA PRO I 13 18.059 76.118 20.044 1.00 9.81 C ATOM 1841 C PRO I 13 17.089 74.947 19.875 1.00 8.59 C ATOM 1842 O PRO I 13 17.494 73.790 19.990 1.00 9.41 O ATOM 1843 CB PRO I 13 18.237 76.488 21.512 1.00 10.76 C ATOM 1844 CG PRO I 13 17.160 77.506 21.712 1.00 9.29 C ATOM 1845 CD PRO I 13 17.268 78.369 20.474 1.00 10.28 C ATOM 1846 N CYS I 14 15.812 75.233 19.626 1.00 9.30 N ATOM 1847 CA CYS I 14 14.848 74.153 19.464 1.00 8.49 C ATOM 1848 C CYS I 14 15.067 73.381 18.172 1.00 8.70 C ATOM 1849 O CYS I 14 15.604 73.922 17.198 1.00 8.49 O ATOM 1850 CB CYS I 14 13.420 74.657 19.626 1.00 9.11 C ATOM 1851 SG CYS I 14 13.093 75.148 21.354 1.00 10.08 S ATOM 1852 N LYS I 15 14.646 72.122 18.167 1.00 7.74 N ATOM 1853 CA LYS I 15 14.891 71.247 17.029 1.00 7.09 C ATOM 1854 C LYS I 15 13.778 70.916 16.036 1.00 6.73 C ATOM 1855 O LYS I 15 13.696 69.794 15.543 1.00 7.53 O ATOM 1856 CB LYS I 15 15.587 69.975 17.523 1.00 9.04 C ATOM 1857 CG LYS I 15 16.951 70.277 18.141 1.00 8.02 C ATOM 1858 CD LYS I 15 17.586 69.062 18.783 1.00 7.84 C ATOM 1859 CE LYS I 15 18.973 69.402 19.324 1.00 9.40 C ATOM 1860 NZ LYS I 15 19.571 68.263 20.076 1.00 8.29 N ATOM 1861 N ALA I 16 12.906 71.880 15.769 1.00 8.72 N ATOM 1862 CA ALA I 16 11.866 71.665 14.769 1.00 7.51 C ATOM 1863 C ALA I 16 12.483 72.116 13.440 1.00 9.43 C ATOM 1864 O ALA I 16 13.577 72.681 13.425 1.00 9.39 O ATOM 1865 CB ALA I 16 10.635 72.511 15.092 1.00 7.81 C ATOM 1866 N ARG I 17 11.828 71.795 12.331 1.00 7.90 N ATOM 1867 CA ARG I 17 12.304 72.239 11.019 1.00 7.71 C ATOM 1868 C ARG I 17 11.116 72.975 10.404 1.00 7.94 C ATOM 1869 O ARG I 17 10.371 72.423 9.591 1.00 8.00 O ATOM 1870 CB ARG I 17 12.752 71.062 10.145 1.00 8.41 C ATOM 1871 CG ARG I 17 13.571 71.476 8.904 1.00 10.14 C ATOM 1872 CD ARG I 17 12.700 71.953 7.745 1.00 11.28 C ATOM 1873 NE ARG I 17 11.794 70.897 7.311 1.00 12.00 N ATOM 1874 CZ ARG I 17 12.117 69.930 6.457 1.00 15.16 C ATOM 1875 NH1 ARG I 17 13.330 69.887 5.915 1.00 14.66 N ATOM 1876 NH2 ARG I 17 11.251 68.960 6.202 1.00 15.58 N ATOM 1877 N ILE I 18 10.916 74.199 10.880 1.00 6.33 N ATOM 1878 CA ILE I 18 9.827 75.059 10.432 1.00 6.65 C ATOM 1879 C ILE I 18 10.361 76.098 9.460 1.00 8.45 C ATOM 1880 O ILE I 18 11.320 76.812 9.758 1.00 8.46 O ATOM 1881 CB ILE I 18 9.167 75.772 11.639 1.00 9.02 C ATOM 1882 CG1 ILE I 18 8.556 74.725 12.576 1.00 9.38 C ATOM 1883 CG2 ILE I 18 8.110 76.778 11.170 1.00 10.38 C ATOM 1884 CD1 ILE I 18 8.247 75.246 13.968 1.00 12.62 C ATOM 1885 N AILE I 19 9.742 76.174 8.286 0.50 7.51 N ATOM 1886 N BILE I 19 9.738 76.175 8.288 0.50 7.58 N ATOM 1887 CA AILE I 19 10.165 77.130 7.273 0.50 8.25 C ATOM 1888 CA BILE I 19 10.154 77.137 7.278 0.50 8.34 C ATOM 1889 C AILE I 19 9.577 78.515 7.535 0.50 8.56 C ATOM 1890 C BILE I 19 9.573 78.518 7.553 0.50 8.61 C ATOM 1891 O AILE I 19 8.357 78.686 7.625 0.50 9.36 O ATOM 1892 O BILE I 19 8.355 78.691 7.667 0.50 9.26 O ATOM 1893 CB AILE I 19 9.781 76.644 5.858 0.50 7.81 C ATOM 1894 CB BILE I 19 9.751 76.675 5.858 0.50 8.19 C ATOM 1895 CG1AILE I 19 10.328 75.233 5.634 0.50 8.52 C ATOM 1896 CG1BILE I 19 10.450 75.356 5.520 0.50 8.98 C ATOM 1897 CG2AILE I 19 10.346 77.591 4.809 0.50 9.42 C ATOM 1898 CG2BILE I 19 10.088 77.751 4.833 0.50 9.43 C ATOM 1899 CD1AILE I 19 9.850 74.570 4.358 0.50 9.44 C ATOM 1900 CD1BILE I 19 11.968 75.406 5.612 0.50 10.65 C ATOM 1901 N ARG I 20 10.462 79.493 7.699 1.00 7.69 N ATOM 1902 CA ARG I 20 10.066 80.867 7.948 1.00 7.15 C ATOM 1903 C ARG I 20 10.780 81.761 6.944 1.00 7.93 C ATOM 1904 O ARG I 20 11.646 81.302 6.197 1.00 7.52 O ATOM 1905 CB ARG I 20 10.442 81.286 9.375 1.00 9.38 C ATOM 1906 CG ARG I 20 9.631 80.590 10.461 1.00 7.70 C ATOM 1907 CD ARG I 20 8.194 81.106 10.508 1.00 9.64 C ATOM 1908 NE ARG I 20 7.402 80.389 11.507 1.00 9.68 N ATOM 1909 CZ ARG I 20 7.384 80.682 12.805 1.00 9.55 C ATOM 1910 NH1 ARG I 20 8.110 81.684 13.281 1.00 9.35 N ATOM 1911 NH2 ARG I 20 6.645 79.956 13.634 1.00 9.44 N ATOM 1912 N TYR I 21 10.399 83.031 6.923 1.00 8.08 N ATOM 1913 CA TYR I 21 11.008 84.005 6.026 1.00 8.25 C ATOM 1914 C TYR I 21 11.817 85.036 6.793 1.00 8.75 C ATOM 1915 O TYR I 21 11.489 85.389 7.928 1.00 9.19 O ATOM 1916 CB TYR I 21 9.942 84.730 5.193 1.00 8.60 C ATOM 1917 CG TYR I 21 9.293 83.869 4.137 1.00 9.09 C ATOM 1918 CD1 TYR I 21 8.282 82.973 4.470 1.00 9.26 C ATOM 1919 CD2 TYR I 21 9.710 83.932 2.803 1.00 11.02 C ATOM 1920 CE1 TYR I 21 7.699 82.151 3.506 1.00 10.32 C ATOM 1921 CE2 TYR I 21 9.134 83.117 1.832 1.00 9.97 C ATOM 1922 CZ TYR I 21 8.132 82.230 2.191 1.00 11.13 C ATOM 1923 OH TYR I 21 7.573 81.398 1.247 1.00 12.31 O ATOM 1924 N PHE I 22 12.899 85.494 6.177 1.00 8.45 N ATOM 1925 CA PHE I 22 13.731 86.531 6.764 1.00 7.79 C ATOM 1926 C PHE I 22 14.117 87.470 5.635 1.00 9.27 C ATOM 1927 O PHE I 22 14.192 87.057 4.472 1.00 9.80 O ATOM 1928 CB PHE I 22 14.989 85.952 7.438 1.00 8.45 C ATOM 1929 CG PHE I 22 16.089 85.563 6.483 1.00 8.58 C ATOM 1930 CD1 PHE I 22 17.191 86.400 6.290 1.00 9.51 C ATOM 1931 CD2 PHE I 22 16.042 84.353 5.803 1.00 8.17 C ATOM 1932 CE1 PHE I 22 18.227 86.023 5.431 1.00 9.92 C ATOM 1933 CE2 PHE I 22 17.072 83.966 4.944 1.00 9.25 C ATOM 1934 CZ PHE I 22 18.166 84.804 4.759 1.00 8.06 C ATOM 1935 N TYR I 23 14.318 88.735 5.969 1.00 9.00 N ATOM 1936 CA TYR I 23 14.719 89.705 4.963 1.00 10.08 C ATOM 1937 C TYR I 23 16.231 89.628 4.795 1.00 12.25 C ATOM 1938 O TYR I 23 16.983 89.775 5.767 1.00 11.70 O ATOM 1939 CB TYR I 23 14.310 91.124 5.361 1.00 10.93 C ATOM 1940 CG TYR I 23 14.698 92.152 4.321 1.00 14.68 C ATOM 1941 CD1 TYR I 23 15.737 93.052 4.553 1.00 16.34 C ATOM 1942 CD2 TYR I 23 14.054 92.191 3.084 1.00 16.98 C ATOM 1943 CE1 TYR I 23 16.131 93.965 3.574 1.00 18.17 C ATOM 1944 CE2 TYR I 23 14.439 93.101 2.099 1.00 18.22 C ATOM 1945 CZ TYR I 23 15.476 93.981 2.350 1.00 19.46 C ATOM 1946 OH TYR I 23 15.862 94.870 1.373 1.00 22.60 O ATOM 1947 N ASN I 24 16.664 89.329 3.571 1.00 12.15 N ATOM 1948 CA ASN I 24 18.084 89.246 3.251 1.00 13.61 C ATOM 1949 C ASN I 24 18.466 90.579 2.616 1.00 15.53 C ATOM 1950 O ASN I 24 18.240 90.799 1.425 1.00 16.15 O ATOM 1951 CB ASN I 24 18.346 88.088 2.280 1.00 13.75 C ATOM 1952 CG ASN I 24 19.822 87.932 1.930 1.00 16.09 C ATOM 1953 OD1 ASN I 24 20.631 88.829 2.168 1.00 18.52 O ATOM 1954 ND2 ASN I 24 20.175 86.786 1.365 1.00 17.55 N ATOM 1955 N ALA I 25 19.043 91.466 3.422 1.00 16.80 N ATOM 1956 CA ALA I 25 19.441 92.794 2.964 1.00 18.60 C ATOM 1957 C ALA I 25 20.428 92.789 1.799 1.00 19.19 C ATOM 1958 O ALA I 25 20.355 93.652 0.924 1.00 19.34 O ATOM 1959 CB ALA I 25 19.998 93.604 4.126 1.00 19.10 C ATOM 1960 N LYS I 26 21.345 91.824 1.789 1.00 19.91 N ATOM 1961 CA LYS I 26 22.341 91.728 0.724 1.00 21.27 C ATOM 1962 C LYS I 26 21.685 91.450 -0.625 1.00 21.36 C ATOM 1963 O LYS I 26 22.044 92.057 -1.636 1.00 21.24 O ATOM 1964 CB LYS I 26 23.362 90.630 1.035 1.00 23.47 C ATOM 1965 CG LYS I 26 24.500 90.544 0.023 1.00 26.39 C ATOM 1966 CD LYS I 26 25.421 89.369 0.308 1.00 29.75 C ATOM 1967 CE LYS I 26 26.562 89.310 -0.699 1.00 32.02 C ATOM 1968 NZ LYS I 26 27.378 88.072 -0.551 1.00 34.61 N ATOM 1969 N ALA I 27 20.718 90.538 -0.630 1.00 19.99 N ATOM 1970 CA ALA I 27 20.009 90.173 -1.850 1.00 19.00 C ATOM 1971 C ALA I 27 18.791 91.059 -2.114 1.00 18.25 C ATOM 1972 O ALA I 27 18.248 91.066 -3.218 1.00 18.89 O ATOM 1973 CB ALA I 27 19.608 88.708 -1.800 1.00 19.21 C ATOM 1974 N GLY I 28 18.373 91.819 -1.107 1.00 16.45 N ATOM 1975 CA GLY I 28 17.226 92.694 -1.266 1.00 15.41 C ATOM 1976 C GLY I 28 15.901 91.969 -1.417 1.00 16.03 C ATOM 1977 O GLY I 28 15.009 92.434 -2.131 1.00 16.85 O ATOM 1978 N LEU I 29 15.763 90.826 -0.752 1.00 15.15 N ATOM 1979 CA LEU I 29 14.520 90.073 -0.826 1.00 14.25 C ATOM 1980 C LEU I 29 14.297 89.163 0.371 1.00 12.49 C ATOM 1981 O LEU I 29 15.229 88.828 1.102 1.00 11.54 O ATOM 1982 CB LEU I 29 14.446 89.261 -2.127 1.00 18.55 C ATOM 1983 CG LEU I 29 15.046 87.856 -2.236 1.00 20.88 C ATOM 1984 CD1 LEU I 29 14.923 87.371 -3.667 1.00 22.31 C ATOM 1985 CD2 LEU I 29 16.489 87.847 -1.817 1.00 24.01 C ATOM 1986 N CYS I 30 13.035 88.812 0.582 1.00 10.68 N ATOM 1987 CA CYS I 30 12.662 87.919 1.663 1.00 9.24 C ATOM 1988 C CYS I 30 12.969 86.502 1.226 1.00 8.90 C ATOM 1989 O CYS I 30 12.512 86.045 0.175 1.00 9.84 O ATOM 1990 CB CYS I 30 11.190 88.098 2.002 1.00 9.10 C ATOM 1991 SG CYS I 30 10.919 89.680 2.848 1.00 10.71 S ATOM 1992 N AGLN I 31 13.777 85.811 2.025 0.50 8.34 N ATOM 1993 N BGLN I 31 13.729 85.810 2.063 0.50 7.38 N ATOM 1994 CA AGLN I 31 14.166 84.436 1.730 0.50 8.17 C ATOM 1995 CA BGLN I 31 14.176 84.455 1.792 0.50 6.75 C ATOM 1996 C AGLN I 31 13.691 83.482 2.823 0.50 8.01 C ATOM 1997 C BGLN I 31 13.707 83.472 2.860 0.50 7.20 C ATOM 1998 O AGLN I 31 13.331 83.910 3.920 0.50 9.02 O ATOM 1999 O BGLN I 31 13.354 83.870 3.971 0.50 8.67 O ATOM 2000 CB AGLN I 31 15.691 84.325 1.592 0.50 9.19 C ATOM 2001 CB BGLN I 31 15.709 84.476 1.714 0.50 5.71 C ATOM 2002 CG AGLN I 31 16.291 85.040 0.384 0.50 11.68 C ATOM 2003 CG BGLN I 31 16.389 83.127 1.650 0.50 6.26 C ATOM 2004 CD AGLN I 31 17.807 84.892 0.306 0.50 13.62 C ATOM 2005 OE1AGLN I 31 18.442 84.390 1.231 0.50 15.52 O ATOM 2006 NE2AGLN I 31 18.391 85.344 -0.796 0.50 15.76 N ATOM 2007 N THR I 32 13.694 82.191 2.509 1.00 6.90 N ATOM 2008 CA THR I 32 13.287 81.150 3.452 1.00 6.79 C ATOM 2009 C THR I 32 14.490 80.665 4.269 1.00 7.85 C ATOM 2010 O THR I 32 15.643 80.779 3.838 1.00 8.87 O ATOM 2011 CB THR I 32 12.671 79.929 2.739 1.00 8.13 C ATOM 2012 OG1 THR I 32 13.595 79.410 1.773 1.00 8.48 O ATOM 2013 CG2 THR I 32 11.358 80.300 2.063 1.00 9.48 C ATOM 2014 N PHE I 33 14.211 80.162 5.469 1.00 8.05 N ATOM 2015 CA PHE I 33 15.247 79.618 6.350 1.00 8.23 C ATOM 2016 C PHE I 33 14.576 78.680 7.337 1.00 9.12 C ATOM 2017 O PHE I 33 13.348 78.656 7.443 1.00 8.56 O ATOM 2018 CB PHE I 33 16.031 80.725 7.085 1.00 8.73 C ATOM 2019 CG PHE I 33 15.340 81.286 8.305 1.00 7.80 C ATOM 2020 CD1 PHE I 33 15.739 80.898 9.582 1.00 8.56 C ATOM 2021 CD2 PHE I 33 14.328 82.230 8.181 1.00 8.33 C ATOM 2022 CE1 PHE I 33 15.144 81.444 10.717 1.00 8.26 C ATOM 2023 CE2 PHE I 33 13.721 82.787 9.315 1.00 9.81 C ATOM 2024 CZ PHE I 33 14.140 82.385 10.591 1.00 7.00 C ATOM 2025 N VAL I 34 15.382 77.879 8.022 1.00 7.68 N ATOM 2026 CA VAL I 34 14.867 76.931 9.000 1.00 8.32 C ATOM 2027 C VAL I 34 14.834 77.521 10.402 1.00 9.26 C ATOM 2028 O VAL I 34 15.856 77.980 10.917 1.00 9.90 O ATOM 2029 CB VAL I 34 15.702 75.632 9.018 1.00 8.00 C ATOM 2030 CG1 VAL I 34 15.262 74.725 10.172 1.00 9.57 C ATOM 2031 CG2 VAL I 34 15.549 74.892 7.695 1.00 9.56 C ATOM 2032 N TYR I 35 13.637 77.545 10.985 1.00 8.57 N ATOM 2033 CA TYR I 35 13.429 78.036 12.343 1.00 8.14 C ATOM 2034 C TYR I 35 13.226 76.806 13.222 1.00 8.26 C ATOM 2035 O TYR I 35 12.488 75.890 12.859 1.00 7.46 O ATOM 2036 CB TYR I 35 12.197 78.943 12.399 1.00 8.52 C ATOM 2037 CG TYR I 35 11.784 79.365 13.795 1.00 9.22 C ATOM 2038 CD1 TYR I 35 12.699 79.947 14.674 1.00 9.32 C ATOM 2039 CD2 TYR I 35 10.469 79.198 14.228 1.00 9.35 C ATOM 2040 CE1 TYR I 35 12.313 80.357 15.948 1.00 9.15 C ATOM 2041 CE2 TYR I 35 10.072 79.606 15.502 1.00 7.94 C ATOM 2042 CZ TYR I 35 10.998 80.186 16.354 1.00 9.45 C ATOM 2043 OH TYR I 35 10.606 80.612 17.609 1.00 9.23 O ATOM 2044 N GLY I 36 13.895 76.797 14.375 1.00 7.37 N ATOM 2045 CA GLY I 36 13.817 75.675 15.294 1.00 7.41 C ATOM 2046 C GLY I 36 12.555 75.549 16.124 1.00 6.69 C ATOM 2047 O GLY I 36 12.362 74.525 16.775 1.00 8.09 O ATOM 2048 N GLY I 37 11.725 76.588 16.139 1.00 8.53 N ATOM 2049 CA GLY I 37 10.488 76.518 16.897 1.00 8.36 C ATOM 2050 C GLY I 37 10.408 77.357 18.155 1.00 9.93 C ATOM 2051 O GLY I 37 9.312 77.570 18.689 1.00 10.43 O ATOM 2052 N CYS I 38 11.544 77.849 18.638 1.00 8.97 N ATOM 2053 CA CYS I 38 11.519 78.671 19.839 1.00 9.83 C ATOM 2054 C CYS I 38 12.556 79.773 19.870 1.00 10.17 C ATOM 2055 O CYS I 38 13.573 79.716 19.165 1.00 9.37 O ATOM 2056 CB CYS I 38 11.686 77.801 21.093 1.00 8.90 C ATOM 2057 SG CYS I 38 13.375 77.149 21.337 1.00 10.39 S ATOM 2058 N AARG I 39 12.258 80.772 20.692 0.50 10.94 N ATOM 2059 N BARG I 39 12.317 80.775 20.716 0.50 10.10 N ATOM 2060 CA AARG I 39 13.106 81.920 20.910 0.50 11.65 C ATOM 2061 CA BARG I 39 13.222 81.920 20.887 0.50 10.38 C ATOM 2062 C AARG I 39 13.435 82.680 19.628 0.50 11.32 C ATOM 2063 C BARG I 39 13.447 82.747 19.610 0.50 10.03 C ATOM 2064 O AARG I 39 14.599 83.016 19.375 0.50 11.23 O ATOM 2065 O BARG I 39 14.527 83.290 19.388 0.50 9.22 O ATOM 2066 CB AARG I 39 14.384 81.497 21.640 0.50 13.43 C ATOM 2067 CB BARG I 39 14.581 81.459 21.454 0.50 11.25 C ATOM 2068 CG AARG I 39 14.243 80.302 22.576 0.50 17.27 C ATOM 2069 CG BARG I 39 14.488 80.588 22.702 0.50 14.74 C ATOM 2070 CD AARG I 39 14.607 80.637 24.002 0.50 20.00 C ATOM 2071 CD BARG I 39 13.635 81.231 23.789 0.50 16.69 C ATOM 2072 NE AARG I 39 15.952 81.192 24.094 0.50 21.84 N ATOM 2073 NE BARG I 39 14.119 82.559 24.157 0.50 18.74 N ATOM 2074 CZ AARG I 39 16.298 82.185 24.906 0.50 23.34 C ATOM 2075 CZ BARG I 39 15.276 82.798 24.769 0.50 20.82 C ATOM 2076 NH1AARG I 39 15.393 82.731 25.706 0.50 23.91 N ATOM 2077 NH1BARG I 39 16.086 81.798 25.094 0.50 22.12 N ATOM 2078 NH2AARG I 39 17.554 82.629 24.920 0.50 23.57 N ATOM 2079 NH2BARG I 39 15.628 84.044 25.053 0.50 21.11 N ATOM 2080 N ALA I 40 12.408 82.899 18.804 1.00 9.90 N ATOM 2081 CA ALA I 40 12.540 83.632 17.545 1.00 10.85 C ATOM 2082 C ALA I 40 12.966 85.085 17.712 1.00 11.40 C ATOM 2083 O ALA I 40 12.626 85.744 18.704 1.00 11.95 O ATOM 2084 CB ALA I 40 11.212 83.589 16.793 1.00 12.22 C ATOM 2085 N LYS I 41 13.742 85.574 16.748 1.00 11.43 N ATOM 2086 CA LYS I 41 14.133 86.973 16.719 1.00 11.66 C ATOM 2087 C LYS I 41 13.083 87.605 15.798 1.00 11.35 C ATOM 2088 O LYS I 41 12.230 86.893 15.253 1.00 11.00 O ATOM 2089 CB LYS I 41 15.557 87.150 16.188 1.00 12.65 C ATOM 2090 CG LYS I 41 16.619 86.620 17.154 1.00 15.59 C ATOM 2091 CD LYS I 41 17.998 87.186 16.851 1.00 19.11 C ATOM 2092 CE LYS I 41 19.063 86.529 17.717 1.00 21.90 C ATOM 2093 NZ LYS I 41 18.726 86.566 19.171 1.00 25.65 N ATOM 2094 N ARG I 42 13.139 88.918 15.608 1.00 10.53 N ATOM 2095 CA ARG I 42 12.132 89.593 14.796 1.00 9.62 C ATOM 2096 C ARG I 42 12.217 89.453 13.279 1.00 10.94 C ATOM 2097 O ARG I 42 11.206 89.629 12.593 1.00 11.17 O ATOM 2098 CB ARG I 42 12.003 91.049 15.228 1.00 11.50 C ATOM 2099 CG ARG I 42 11.402 91.174 16.626 1.00 10.58 C ATOM 2100 CD ARG I 42 11.428 92.599 17.125 1.00 10.74 C ATOM 2101 NE ARG I 42 12.791 93.093 17.319 1.00 10.50 N ATOM 2102 CZ ARG I 42 13.079 94.331 17.706 1.00 12.10 C ATOM 2103 NH1 ARG I 42 12.104 95.199 17.936 1.00 11.97 N ATOM 2104 NH2 ARG I 42 14.345 94.702 17.868 1.00 12.21 N ATOM 2105 N ASN I 43 13.398 89.141 12.750 1.00 9.67 N ATOM 2106 CA ASN I 43 13.531 88.941 11.303 1.00 8.85 C ATOM 2107 C ASN I 43 13.168 87.471 11.060 1.00 8.12 C ATOM 2108 O ASN I 43 13.997 86.649 10.661 1.00 8.74 O ATOM 2109 CB ASN I 43 14.960 89.240 10.846 1.00 8.64 C ATOM 2110 CG ASN I 43 15.081 89.320 9.338 1.00 11.14 C ATOM 2111 OD1 ASN I 43 14.076 89.326 8.623 1.00 9.20 O ATOM 2112 ND2 ASN I 43 16.313 89.393 8.846 1.00 11.47 N ATOM 2113 N ASN I 44 11.899 87.160 11.311 1.00 8.10 N ATOM 2114 CA ASN I 44 11.366 85.808 11.206 1.00 7.58 C ATOM 2115 C ASN I 44 9.875 86.004 10.954 1.00 8.22 C ATOM 2116 O ASN I 44 9.148 86.494 11.821 1.00 8.16 O ATOM 2117 CB ASN I 44 11.612 85.100 12.550 1.00 8.15 C ATOM 2118 CG ASN I 44 11.020 83.708 12.617 1.00 8.61 C ATOM 2119 OD1 ASN I 44 9.975 83.424 12.029 1.00 8.18 O ATOM 2120 ND2 ASN I 44 11.671 82.834 13.382 1.00 8.03 N ATOM 2121 N PHE I 45 9.434 85.632 9.755 1.00 8.49 N ATOM 2122 CA PHE I 45 8.046 85.815 9.358 1.00 8.18 C ATOM 2123 C PHE I 45 7.382 84.541 8.869 1.00 7.98 C ATOM 2124 O PHE I 45 8.032 83.652 8.324 1.00 8.83 O ATOM 2125 CB PHE I 45 7.977 86.892 8.272 1.00 7.99 C ATOM 2126 CG PHE I 45 8.617 88.190 8.677 1.00 8.35 C ATOM 2127 CD1 PHE I 45 9.953 88.449 8.366 1.00 8.32 C ATOM 2128 CD2 PHE I 45 7.900 89.136 9.401 1.00 8.27 C ATOM 2129 CE1 PHE I 45 10.562 89.636 8.774 1.00 8.89 C ATOM 2130 CE2 PHE I 45 8.499 90.324 9.813 1.00 9.16 C ATOM 2131 CZ PHE I 45 9.834 90.575 9.501 1.00 8.63 C ATOM 2132 N LYS I 46 6.064 84.475 9.039 1.00 8.74 N ATOM 2133 CA LYS I 46 5.304 83.303 8.636 1.00 9.94 C ATOM 2134 C LYS I 46 4.956 83.265 7.149 1.00 10.18 C ATOM 2135 O LYS I 46 4.547 82.226 6.631 1.00 13.46 O ATOM 2136 CB LYS I 46 4.047 83.179 9.499 1.00 11.07 C ATOM 2137 CG LYS I 46 4.364 82.919 10.966 1.00 13.67 C ATOM 2138 CD LYS I 46 3.111 82.705 11.790 1.00 15.42 C ATOM 2139 CE LYS I 46 3.475 82.410 13.236 1.00 19.04 C ATOM 2140 NZ LYS I 46 2.274 82.120 14.064 1.00 19.42 N ATOM 2141 N SER I 47 5.138 84.390 6.465 1.00 11.00 N ATOM 2142 CA SER I 47 4.855 84.464 5.032 1.00 10.58 C ATOM 2143 C SER I 47 5.751 85.498 4.368 1.00 10.12 C ATOM 2144 O SER I 47 6.292 86.387 5.028 1.00 8.78 O ATOM 2145 CB SER I 47 3.391 84.852 4.785 1.00 10.28 C ATOM 2146 OG SER I 47 3.160 86.215 5.110 1.00 9.60 O ATOM 2147 N ALA I 48 5.898 85.386 3.051 1.00 9.25 N ATOM 2148 CA ALA I 48 6.701 86.341 2.300 1.00 9.67 C ATOM 2149 C ALA I 48 6.050 87.722 2.385 1.00 9.10 C ATOM 2150 O ALA I 48 6.740 88.742 2.452 1.00 9.81 O ATOM 2151 CB ALA I 48 6.816 85.901 0.843 1.00 10.42 C ATOM 2152 N GLU I 49 4.715 87.743 2.397 1.00 8.57 N ATOM 2153 CA GLU I 49 3.962 88.990 2.480 1.00 9.44 C ATOM 2154 C GLU I 49 4.219 89.731 3.791 1.00 8.28 C ATOM 2155 O GLU I 49 4.399 90.945 3.792 1.00 9.87 O ATOM 2156 CB GLU I 49 2.460 88.731 2.314 1.00 10.82 C ATOM 2157 CG GLU I 49 2.028 88.348 0.896 1.00 11.90 C ATOM 2158 CD GLU I 49 2.344 86.906 0.509 1.00 14.47 C ATOM 2159 OE1 GLU I 49 2.658 86.071 1.386 1.00 13.33 O ATOM 2160 OE2 GLU I 49 2.244 86.593 -0.698 1.00 17.48 O ATOM 2161 N ASP I 50 4.243 88.996 4.904 1.00 10.12 N ATOM 2162 CA ASP I 50 4.501 89.617 6.204 1.00 10.26 C ATOM 2163 C ASP I 50 5.907 90.199 6.209 1.00 8.46 C ATOM 2164 O ASP I 50 6.134 91.306 6.691 1.00 9.99 O ATOM 2165 CB ASP I 50 4.389 88.591 7.334 1.00 10.30 C ATOM 2166 CG ASP I 50 2.950 88.232 7.669 1.00 13.32 C ATOM 2167 OD1 ASP I 50 2.015 88.861 7.133 1.00 13.79 O ATOM 2168 OD2 ASP I 50 2.760 87.316 8.488 1.00 14.71 O ATOM 2169 N CYS I 51 6.843 89.434 5.662 1.00 9.35 N ATOM 2170 CA CYS I 51 8.236 89.855 5.588 1.00 9.28 C ATOM 2171 C CYS I 51 8.414 91.123 4.748 1.00 10.05 C ATOM 2172 O CYS I 51 9.095 92.052 5.168 1.00 11.06 O ATOM 2173 CB CYS I 51 9.094 88.715 5.039 1.00 8.23 C ATOM 2174 SG CYS I 51 10.853 89.134 4.803 1.00 10.45 S ATOM 2175 N MET I 52 7.788 91.170 3.572 1.00 10.83 N ATOM 2176 CA MET I 52 7.906 92.344 2.707 1.00 11.37 C ATOM 2177 C MET I 52 7.252 93.584 3.306 1.00 10.82 C ATOM 2178 O MET I 52 7.757 94.696 3.166 1.00 11.87 O ATOM 2179 CB MET I 52 7.312 92.066 1.320 1.00 13.63 C ATOM 2180 CG MET I 52 8.089 91.049 0.501 1.00 15.46 C ATOM 2181 SD MET I 52 7.497 91.003 -1.204 1.00 21.68 S ATOM 2182 CE MET I 52 6.044 89.991 -1.022 1.00 19.37 C ATOM 2183 N ARG I 53 6.122 93.388 3.977 1.00 11.03 N ATOM 2184 CA ARG I 53 5.406 94.493 4.597 1.00 10.92 C ATOM 2185 C ARG I 53 6.227 95.119 5.721 1.00 11.59 C ATOM 2186 O ARG I 53 6.291 96.339 5.849 1.00 12.61 O ATOM 2187 CB ARG I 53 4.069 94.001 5.155 1.00 10.84 C ATOM 2188 CG ARG I 53 3.178 95.099 5.724 1.00 12.50 C ATOM 2189 CD ARG I 53 1.895 94.516 6.310 1.00 13.91 C ATOM 2190 NE ARG I 53 1.306 93.522 5.417 1.00 14.03 N ATOM 2191 CZ ARG I 53 1.205 92.225 5.695 1.00 13.49 C ATOM 2192 NH1 ARG I 53 1.635 91.743 6.854 1.00 14.57 N ATOM 2193 NH2 ARG I 53 0.740 91.394 4.776 1.00 14.92 N ATOM 2194 N THR I 54 6.891 94.265 6.497 1.00 12.23 N ATOM 2195 CA THR I 54 7.690 94.702 7.637 1.00 13.73 C ATOM 2196 C THR I 54 9.110 95.165 7.322 1.00 14.06 C ATOM 2197 O THR I 54 9.578 96.164 7.875 1.00 14.97 O ATOM 2198 CB THR I 54 7.781 93.572 8.684 1.00 12.52 C ATOM 2199 OG1 THR I 54 6.464 93.101 9.000 1.00 13.99 O ATOM 2200 CG2 THR I 54 8.447 94.071 9.960 1.00 13.53 C ATOM 2201 N CYS I 55 9.776 94.458 6.415 1.00 14.42 N ATOM 2202 CA CYS I 55 11.165 94.748 6.074 1.00 15.00 C ATOM 2203 C CYS I 55 11.477 95.171 4.645 1.00 18.98 C ATOM 2204 O CYS I 55 12.640 95.411 4.312 1.00 17.94 O ATOM 2205 CB CYS I 55 12.022 93.538 6.440 1.00 13.78 C ATOM 2206 SG CYS I 55 12.138 93.245 8.231 1.00 12.64 S ATOM 2207 N GLY I 56 10.453 95.263 3.802 1.00 19.85 N ATOM 2208 CA GLY I 56 10.674 95.660 2.420 1.00 24.41 C ATOM 2209 C GLY I 56 11.427 96.973 2.297 1.00 26.27 C ATOM 2210 O GLY I 56 11.081 97.963 2.945 1.00 27.44 O ATOM 2211 N GLY I 57 12.492 96.963 1.500 1.00 29.13 N ATOM 2212 CA GLY I 57 13.284 98.164 1.294 1.00 31.24 C ATOM 2213 C GLY I 57 14.272 98.513 2.393 1.00 32.03 C ATOM 2214 O GLY I 57 14.817 99.620 2.406 1.00 33.08 O ATOM 2215 N ALA I 58 14.510 97.584 3.315 1.00 30.97 N ATOM 2216 CA ALA I 58 15.452 97.822 4.407 1.00 30.85 C ATOM 2217 C ALA I 58 16.899 97.809 3.909 1.00 30.86 C ATOM 2218 O ALA I 58 17.169 97.162 2.871 1.00 30.41 O ATOM 2219 CB ALA I 58 15.262 96.787 5.506 1.00 29.62 C ATOM 2220 OXT ALA I 58 17.746 98.451 4.565 1.00 31.76 O TER 2221 ALA I 58 HETATM 2222 NA NA E1001 11.914 52.764 2.644 1.00 48.36 NA HETATM 2223 CA CA E1002 6.021 57.635 2.786 1.00 16.24 CA HETATM 2224 S ASO4 E1008 1.222 79.142 12.944 0.50 49.88 S HETATM 2225 S BSO4 E1008 -0.206 78.753 13.767 0.50 24.94 S HETATM 2226 O1 ASO4 E1008 1.404 78.779 14.360 0.50 50.32 O HETATM 2227 O1 BSO4 E1008 0.276 79.905 12.981 0.50 25.27 O HETATM 2228 O2 ASO4 E1008 2.540 79.309 12.304 0.50 49.82 O HETATM 2229 O2 BSO4 E1008 0.524 78.696 15.050 0.50 24.98 O HETATM 2230 O3 ASO4 E1008 0.472 78.075 12.260 0.50 49.68 O HETATM 2231 O3 BSO4 E1008 -1.647 78.906 14.035 0.50 25.17 O HETATM 2232 O4 ASO4 E1008 0.467 80.406 12.853 0.50 50.14 O HETATM 2233 O4 BSO4 E1008 0.028 77.509 13.008 0.50 25.02 O HETATM 2234 S SO4 E1009 22.533 75.643 37.517 1.00 48.64 S HETATM 2235 O1 SO4 E1009 23.220 75.856 36.230 1.00 49.09 O HETATM 2236 O2 SO4 E1009 23.511 75.190 38.524 1.00 49.46 O HETATM 2237 O3 SO4 E1009 21.917 76.907 37.963 1.00 48.39 O HETATM 2238 O4 SO4 E1009 21.487 74.616 37.351 1.00 49.12 O HETATM 2239 S SO4 E1010 -14.253 59.024 22.831 1.00 52.62 S HETATM 2240 O1 SO4 E1010 -14.428 57.915 21.872 1.00 52.34 O HETATM 2241 O2 SO4 E1010 -13.756 58.493 24.111 1.00 52.17 O HETATM 2242 O3 SO4 E1010 -13.271 59.990 22.300 1.00 51.76 O HETATM 2243 O4 SO4 E1010 -15.548 59.698 23.048 1.00 52.03 O HETATM 2244 S ASO4 E1011 8.192 78.004 34.526 0.50 37.54 S HETATM 2245 S BSO4 E1011 8.217 72.887 37.770 0.50 36.20 S HETATM 2246 O1 ASO4 E1011 7.528 76.808 33.975 0.50 37.60 O HETATM 2247 O1 BSO4 E1011 7.452 71.870 37.027 0.50 35.64 O HETATM 2248 O2 ASO4 E1011 9.579 78.072 34.027 0.50 37.88 O HETATM 2249 O2 BSO4 E1011 8.441 72.419 39.151 0.50 36.63 O HETATM 2250 O3 ASO4 E1011 7.457 79.211 34.107 0.50 37.53 O HETATM 2251 O3 BSO4 E1011 9.516 73.112 37.108 0.50 35.92 O HETATM 2252 O4 ASO4 E1011 8.202 77.924 35.999 0.50 38.52 O HETATM 2253 O4 BSO4 E1011 7.457 74.150 37.803 0.50 36.42 O HETATM 2254 C1 EDO E 1 14.722 60.606 32.088 1.00 30.03 C HETATM 2255 O1 EDO E 1 14.037 59.385 32.390 1.00 29.69 O HETATM 2256 C2 EDO E 1 15.851 61.022 33.031 1.00 30.07 C HETATM 2257 O2 EDO E 1 15.711 60.582 34.395 1.00 31.17 O HETATM 2258 C1 EDO E 2 6.638 65.848 2.578 1.00 22.77 C HETATM 2259 O1 EDO E 2 5.471 66.676 2.747 1.00 24.46 O HETATM 2260 C2 EDO E 2 7.671 65.837 3.720 1.00 22.14 C HETATM 2261 O2 EDO E 2 8.351 67.089 3.970 1.00 21.11 O HETATM 2262 C1 EDO E 3 15.592 50.287 14.599 1.00 36.97 C HETATM 2263 O1 EDO E 3 16.013 49.257 13.697 1.00 36.43 O HETATM 2264 C2 EDO E 3 16.056 50.165 16.049 1.00 37.40 C HETATM 2265 O2 EDO E 3 17.358 49.580 16.232 1.00 38.28 O HETATM 2266 C1 EDO E 4 18.743 58.721 2.905 1.00 33.25 C HETATM 2267 O1 EDO E 4 17.385 58.616 3.343 1.00 31.87 O HETATM 2268 C2 EDO E 4 19.831 58.667 3.983 1.00 33.53 C HETATM 2269 O2 EDO E 4 20.437 59.931 4.320 1.00 35.18 O HETATM 2270 C1 EDO E 5 -7.026 50.956 16.563 1.00 36.58 C HETATM 2271 O1 EDO E 5 -8.030 51.485 15.687 1.00 35.35 O HETATM 2272 C2 EDO E 5 -6.584 49.514 16.319 1.00 36.19 C HETATM 2273 O2 EDO E 5 -6.700 49.056 14.962 1.00 36.34 O HETATM 2274 C1 EDO E 6 -2.335 55.935 26.954 1.00 43.13 C HETATM 2275 O1 EDO E 6 -3.534 55.279 26.523 1.00 44.65 O HETATM 2276 C2 EDO E 6 -2.299 56.425 28.402 1.00 43.01 C HETATM 2277 O2 EDO E 6 -2.593 55.428 29.394 1.00 43.15 O HETATM 2278 CA CA I1003 15.131 81.906 0.000 0.50 13.77 CA HETATM 2279 S SO4 I1004 7.168 81.503 17.124 1.00 13.17 S HETATM 2280 O1 SO4 I1004 6.363 80.483 16.431 1.00 14.94 O HETATM 2281 O2 SO4 I1004 6.280 82.443 17.835 1.00 17.37 O HETATM 2282 O3 SO4 I1004 8.059 80.842 18.103 1.00 14.36 O HETATM 2283 O4 SO4 I1004 7.980 82.246 16.139 1.00 14.68 O HETATM 2284 S SO4 I1005 16.132 91.211 17.312 1.00 15.21 S HETATM 2285 O1 SO4 I1005 16.504 90.456 18.521 1.00 18.87 O HETATM 2286 O2 SO4 I1005 17.009 90.792 16.202 1.00 16.04 O HETATM 2287 O3 SO4 I1005 14.725 90.917 16.975 1.00 15.97 O HETATM 2288 O4 SO4 I1005 16.277 92.652 17.550 1.00 17.45 O HETATM 2289 S ASO4 I1006 13.889 98.345 19.636 0.50 22.18 S HETATM 2290 S BSO4 I1006 13.837 98.239 19.292 0.50 43.35 S HETATM 2291 O1 ASO4 I1006 14.071 97.517 20.841 0.50 23.49 O HETATM 2292 O1 BSO4 I1006 14.539 96.961 19.509 0.50 42.88 O HETATM 2293 O2 ASO4 I1006 13.700 97.474 18.461 0.50 24.39 O HETATM 2294 O2 BSO4 I1006 12.800 98.063 18.260 0.50 43.30 O HETATM 2295 O3 ASO4 I1006 15.082 99.186 19.428 0.50 23.43 O HETATM 2296 O3 BSO4 I1006 14.803 99.261 18.847 0.50 43.33 O HETATM 2297 O4 ASO4 I1006 12.707 99.209 19.800 0.50 22.98 O HETATM 2298 O4 BSO4 I1006 13.206 98.674 20.551 0.50 43.54 O HETATM 2299 S SO4 I1007 21.440 79.815 14.856 1.00 31.04 S HETATM 2300 O1 SO4 I1007 20.510 79.651 15.992 1.00 25.58 O HETATM 2301 O2 SO4 I1007 21.953 78.488 14.460 1.00 29.64 O HETATM 2302 O3 SO4 I1007 20.739 80.435 13.713 1.00 27.94 O HETATM 2303 O4 SO4 I1007 22.563 80.683 15.264 1.00 30.34 O HETATM 2304 O HOH E1012 11.662 62.755 15.719 1.00 10.84 O HETATM 2305 O HOH E1013 5.250 57.638 10.700 1.00 11.86 O HETATM 2306 O HOH E1014 21.240 63.556 21.943 1.00 10.47 O HETATM 2307 O HOH E1015 17.515 67.355 21.993 1.00 11.02 O HETATM 2308 O HOH E1016 12.752 55.876 19.313 1.00 12.70 O HETATM 2309 O HOH E1017 24.908 64.193 22.155 1.00 12.45 O HETATM 2310 O HOH E1018 5.658 64.621 6.650 1.00 11.67 O HETATM 2311 O HOH E1019 6.784 55.607 3.817 1.00 16.78 O HETATM 2312 O HOH E1020 17.350 62.197 10.805 1.00 10.08 O HETATM 2313 O HOH E1021 5.493 62.468 4.648 1.00 12.96 O HETATM 2314 O HOH E1022 6.061 69.065 1.146 1.00 16.33 O HETATM 2315 O HOH E1023 4.827 59.627 2.544 1.00 16.71 O HETATM 2316 O HOH E1024 11.354 63.614 13.050 1.00 9.54 O HETATM 2317 O HOH E1025 21.952 69.530 20.808 1.00 10.51 O HETATM 2318 O HOH E1026 25.183 70.017 20.146 1.00 11.64 O HETATM 2319 O HOH E1027 23.627 54.453 17.362 1.00 16.05 O HETATM 2320 O HOH E1028 10.241 53.843 9.219 1.00 15.89 O HETATM 2321 O HOH E1029 20.213 64.975 32.432 1.00 15.62 O HETATM 2322 O HOH E1030 22.088 59.841 11.174 1.00 17.32 O HETATM 2323 O HOH E1031 25.931 66.632 21.147 1.00 15.82 O HETATM 2324 O HOH E1032 20.340 72.158 11.658 1.00 14.89 O HETATM 2325 O HOH E1033 13.741 64.827 6.301 1.00 16.68 O HETATM 2326 O HOH E1034 -5.763 61.661 37.380 1.00 16.39 O HETATM 2327 O HOH E1035 7.637 62.044 21.730 1.00 14.79 O HETATM 2328 O HOH E1036 7.428 55.388 11.472 1.00 15.31 O HETATM 2329 O HOH E1037 11.469 60.583 31.617 1.00 17.37 O HETATM 2330 O HOH E1038 25.022 55.389 15.104 1.00 19.76 O HETATM 2331 O HOH E1039 9.533 53.169 11.837 1.00 16.48 O HETATM 2332 O HOH E1040 14.545 53.866 8.178 1.00 19.81 O HETATM 2333 O HOH E1041 9.779 80.707 21.941 1.00 14.25 O HETATM 2334 O HOH E1042 6.095 52.825 11.165 1.00 17.01 O HETATM 2335 O HOH E1043 -0.054 49.225 19.487 1.00 23.16 O HETATM 2336 O HOH E1044 25.170 61.780 10.393 1.00 19.51 O HETATM 2337 O HOH E1045 27.530 63.625 20.479 1.00 21.57 O HETATM 2338 O HOH E1046 3.894 76.619 21.378 1.00 18.57 O HETATM 2339 O HOH E1047 15.897 77.139 30.356 1.00 20.81 O HETATM 2340 O HOH E1048 21.389 73.808 15.073 1.00 18.33 O HETATM 2341 O HOH E1049 12.692 53.138 30.781 1.00 25.42 O HETATM 2342 O HOH E1050 -4.045 70.652 31.766 1.00 25.34 O HETATM 2343 O HOH E1051 1.026 54.293 25.801 1.00 18.57 O HETATM 2344 O HOH E1052 10.590 70.628 29.660 1.00 17.69 O HETATM 2345 O HOH E1053 -5.425 69.629 12.114 1.00 20.64 O HETATM 2346 O HOH E1054 3.856 55.240 12.884 1.00 15.77 O HETATM 2347 O HOH E1055 25.774 72.439 15.383 1.00 19.74 O HETATM 2348 O HOH E1056 -3.825 60.404 35.722 1.00 18.81 O HETATM 2349 O HOH E1057 21.332 74.327 34.315 1.00 21.48 O HETATM 2350 O HOH E1058 1.779 68.714 34.776 1.00 21.29 O HETATM 2351 O HOH E1059 4.555 68.679 -1.265 1.00 21.86 O HETATM 2352 O HOH E1060 4.812 53.539 4.431 1.00 19.33 O HETATM 2353 O HOH E1061 2.010 64.560 35.810 1.00 20.83 O HETATM 2354 O HOH E1062 18.525 67.679 2.288 1.00 25.50 O HETATM 2355 O HOH E1063 14.691 52.403 5.719 1.00 23.41 O HETATM 2356 O HOH E1064 0.150 47.749 16.933 1.00 26.25 O HETATM 2357 O HOH E1065 0.106 68.182 3.812 1.00 21.21 O HETATM 2358 O HOH E1066 -5.166 52.267 21.535 1.00 23.34 O HETATM 2359 O HOH E1067 5.154 76.848 7.759 1.00 24.87 O HETATM 2360 O HOH E1068 -8.358 56.549 10.819 1.00 23.88 O HETATM 2361 O HOH E1069 0.341 76.827 27.494 1.00 22.90 O HETATM 2362 O HOH E1070 -5.780 57.993 29.639 1.00 25.39 O HETATM 2363 O HOH E1071 2.176 48.783 21.276 1.00 24.90 O HETATM 2364 O HOH E1072 5.767 50.147 20.062 1.00 24.93 O HETATM 2365 O HOH E1073 12.108 51.082 20.224 1.00 28.52 O HETATM 2366 O HOH E1074 4.934 77.803 13.260 1.00 22.58 O HETATM 2367 O HOH E1075 -3.305 73.950 27.625 1.00 29.22 O HETATM 2368 O HOH E1076 4.342 77.150 18.575 1.00 24.91 O HETATM 2369 O HOH E1077 -3.094 71.527 14.505 1.00 25.35 O HETATM 2370 O HOH E1078 25.534 54.996 19.519 1.00 23.61 O HETATM 2371 O HOH E1079 -0.609 51.496 8.223 1.00 26.09 O HETATM 2372 O HOH E1080 20.355 63.141 5.118 1.00 24.09 O HETATM 2373 O HOH E1081 10.895 57.870 39.313 1.00 30.27 O HETATM 2374 O HOH E1082 -4.785 57.837 5.671 1.00 24.81 O HETATM 2375 O HOH E1083 13.743 50.008 24.068 1.00 28.30 O HETATM 2376 O HOH E1084 4.883 59.811 -3.506 1.00 28.83 O HETATM 2377 O HOH E1085 23.241 55.776 37.010 1.00 25.19 O HETATM 2378 O HOH E1086 23.259 71.408 11.742 1.00 25.92 O HETATM 2379 O HOH E1087 22.756 53.345 7.929 1.00 32.04 O HETATM 2380 O HOH E1088 29.553 69.944 28.936 1.00 28.02 O HETATM 2381 O HOH E1089 28.830 68.241 31.175 1.00 27.73 O HETATM 2382 O HOH E1090 -6.237 55.350 9.178 1.00 28.64 O HETATM 2383 O HOH E1091 7.823 77.795 21.308 1.00 24.67 O HETATM 2384 O HOH E1092 1.178 53.779 28.617 1.00 26.62 O HETATM 2385 O HOH E1093 6.522 51.226 4.768 1.00 26.77 O HETATM 2386 O HOH E1094 -13.735 62.302 23.940 1.00 30.81 O HETATM 2387 O HOH E1095 6.019 74.468 35.724 1.00 27.03 O HETATM 2388 O HOH E1096 23.999 51.644 17.310 1.00 28.86 O HETATM 2389 O HOH E1097 18.422 66.339 34.203 1.00 24.80 O HETATM 2390 O HOH E1098 9.395 52.804 33.450 1.00 31.90 O HETATM 2391 O HOH E1099 27.838 66.641 23.334 1.00 25.52 O HETATM 2392 O HOH E1100 4.293 55.173 -4.713 1.00 26.06 O HETATM 2393 O HOH E1101 -7.977 55.275 21.908 1.00 30.25 O HETATM 2394 O HOH E1102 -14.555 63.804 12.292 1.00 27.13 O HETATM 2395 O HOH E1103 29.082 62.490 13.363 1.00 27.96 O HETATM 2396 O HOH E1104 2.763 75.665 6.831 1.00 30.70 O HETATM 2397 O HOH E1105 21.029 68.961 1.463 1.00 27.49 O HETATM 2398 O HOH E1106 8.866 68.828 0.790 1.00 29.13 O HETATM 2399 O HOH E1107 5.626 81.527 27.851 1.00 29.01 O HETATM 2400 O HOH E1108 26.413 70.683 37.807 1.00 31.70 O HETATM 2401 O HOH E1109 -5.418 64.310 38.521 1.00 31.91 O HETATM 2402 O HOH E1110 13.433 67.488 9.054 1.00 26.00 O HETATM 2403 O HOH E1111 24.528 62.946 6.207 1.00 32.34 O HETATM 2404 O HOH E1112 4.925 61.821 0.705 1.00 31.80 O HETATM 2405 O HOH E1113 32.150 70.266 18.346 1.00 31.64 O HETATM 2406 O AHOH E1114 5.703 49.949 24.585 0.50 22.10 O HETATM 2407 O BHOH E1114 4.035 49.034 24.428 0.50 28.50 O HETATM 2408 O HOH E1115 25.265 76.870 25.238 1.00 33.30 O HETATM 2409 O HOH E1116 23.588 59.702 8.665 1.00 39.16 O HETATM 2410 O HOH E1117 -12.801 62.266 10.006 1.00 34.36 O HETATM 2411 O HOH E1118 20.180 58.543 37.563 1.00 31.99 O HETATM 2412 O HOH E1119 3.174 61.597 37.095 1.00 34.70 O HETATM 2413 O HOH E1120 10.333 49.900 22.192 1.00 28.03 O HETATM 2414 O HOH E1121 -11.753 69.007 24.544 1.00 35.62 O HETATM 2415 O HOH E1122 -1.974 66.375 2.763 1.00 30.29 O HETATM 2416 O HOH E1123 16.567 50.756 25.348 1.00 30.83 O HETATM 2417 O HOH E1124 8.500 84.003 24.235 1.00 36.55 O HETATM 2418 O HOH E1125 -2.385 58.277 36.838 1.00 24.28 O HETATM 2419 O HOH E1126 -14.661 64.934 23.183 1.00 27.97 O HETATM 2420 O HOH E1127 23.787 73.541 13.656 1.00 31.62 O HETATM 2421 O HOH E1128 -2.455 51.508 22.232 1.00 30.57 O HETATM 2422 O HOH E1129 -3.430 78.585 15.900 1.00 34.36 O HETATM 2423 O HOH E1130 4.700 46.479 16.288 1.00 32.90 O HETATM 2424 O HOH E1131 -3.374 74.188 23.851 1.00 32.30 O HETATM 2425 O HOH E1132 19.120 61.963 34.488 1.00 32.64 O HETATM 2426 O HOH E1133 13.247 59.288 -2.190 1.00 30.37 O HETATM 2427 O HOH E1134 10.068 83.683 31.914 1.00 38.93 O HETATM 2428 O HOH E1135 -5.540 64.913 6.878 1.00 34.54 O HETATM 2429 O HOH E1136 1.259 51.131 24.428 1.00 35.06 O HETATM 2430 O HOH E1137 16.263 52.515 3.271 1.00 31.85 O HETATM 2431 O HOH E1138 20.989 50.359 29.187 1.00 37.22 O HETATM 2432 O HOH E1139 10.802 66.946 2.633 1.00 42.08 O HETATM 2433 O HOH E1140 -13.575 61.048 12.878 1.00 38.66 O HETATM 2434 O HOH E1141 13.223 54.707 0.122 1.00 36.28 O HETATM 2435 O HOH E1142 4.535 56.869 36.172 1.00 33.50 O HETATM 2436 O HOH E1143 14.114 49.197 5.150 1.00 33.21 O HETATM 2437 O HOH E1144 -4.772 72.636 29.721 1.00 37.95 O HETATM 2438 O HOH E1145 -4.707 55.870 30.976 1.00 35.85 O HETATM 2439 O HOH E1146 -9.165 52.482 18.365 1.00 41.21 O HETATM 2440 O HOH E1147 -7.856 69.025 29.652 1.00 46.37 O HETATM 2441 O HOH E1148 22.009 53.295 38.103 1.00 36.02 O HETATM 2442 O HOH E1149 28.074 61.956 10.662 1.00 39.50 O HETATM 2443 O HOH E1150 28.130 63.708 36.173 1.00 27.34 O HETATM 2444 O HOH E1151 5.200 71.201 35.697 1.00 33.70 O HETATM 2445 O HOH E1152 29.964 74.537 33.559 1.00 37.59 O HETATM 2446 O HOH E1153 31.164 73.080 21.779 1.00 40.65 O HETATM 2447 O HOH E1154 17.123 63.942 35.112 1.00 39.44 O HETATM 2448 O HOH E1155 0.022 75.477 8.936 1.00 35.65 O HETATM 2449 O HOH E1156 7.004 58.401 36.157 1.00 37.41 O HETATM 2450 O HOH E1157 29.440 65.764 13.732 1.00 38.24 O HETATM 2451 O HOH E1158 -6.622 72.176 12.636 1.00 36.58 O HETATM 2452 O HOH E1159 5.493 47.516 18.897 1.00 39.24 O HETATM 2453 O HOH E1160 30.171 60.293 19.268 1.00 38.16 O HETATM 2454 O HOH E1161 1.660 77.106 10.379 1.00 27.68 O HETATM 2455 O HOH E1162 2.190 45.765 17.681 1.00 39.40 O HETATM 2456 O HOH E1163 28.435 57.968 14.271 1.00 36.95 O HETATM 2457 O HOH E1164 11.109 49.711 17.916 1.00 40.87 O HETATM 2458 O HOH E1165 6.395 68.600 36.467 1.00 42.66 O HETATM 2459 O HOH E1166 -6.224 52.388 24.372 1.00 40.26 O HETATM 2460 O HOH E1167 -7.100 71.538 28.273 1.00 42.86 O HETATM 2461 O AHOH E1168 12.085 63.960 38.205 0.50 20.13 O HETATM 2462 O BHOH E1168 12.208 65.304 38.271 0.50 25.16 O HETATM 2463 O AHOH E1169 -10.773 60.814 17.647 0.50 12.31 O HETATM 2464 O BHOH E1169 -10.369 59.768 17.040 0.50 15.07 O HETATM 2465 O AHOH E1170 -9.933 61.014 23.647 0.50 13.66 O HETATM 2466 O BHOH E1170 -9.649 59.490 23.040 0.50 23.22 O HETATM 2467 O AHOH E1171 18.928 73.574 8.076 0.50 25.61 O HETATM 2468 O BHOH E1171 18.580 73.714 10.110 0.50 18.70 O HETATM 2469 O AHOH E1172 -9.183 66.612 35.055 0.50 25.60 O HETATM 2470 O BHOH E1172 -9.516 66.547 33.964 0.50 19.96 O HETATM 2471 O AHOH E1173 12.559 71.424 27.520 0.50 6.35 O HETATM 2472 O BHOH E1173 12.391 70.004 27.396 0.50 15.71 O HETATM 2473 O HOH E1174 -6.787 62.431 6.141 1.00 39.25 O HETATM 2474 O AHOH E1175 -7.143 72.078 20.511 0.50 35.39 O HETATM 2475 O BHOH E1175 -6.661 72.433 19.262 0.50 40.12 O HETATM 2476 O HOH E1176 -5.288 74.379 16.729 1.00 41.55 O HETATM 2477 O AHOH E1177 28.925 67.134 9.860 0.50 39.02 O HETATM 2478 O BHOH E1177 28.037 65.994 10.753 0.50 18.02 O HETATM 2479 O HOH E1178 22.123 68.031 40.178 1.00 44.81 O HETATM 2480 O HOH E1179 22.295 77.001 25.116 1.00 33.35 O HETATM 2481 O HOH E1180 -0.093 80.286 10.184 1.00 37.38 O HETATM 2482 O HOH E1181 21.408 75.972 18.849 1.00 31.30 O HETATM 2483 O HOH E1182 11.265 83.466 23.211 1.00 43.09 O HETATM 2484 O HOH E1183 -5.544 74.634 13.475 1.00 43.66 O HETATM 2485 O HOH E1184 7.493 47.180 13.655 1.00 36.58 O HETATM 2486 O HOH E1185 16.669 68.476 36.189 1.00 37.03 O HETATM 2487 O HOH E1186 3.793 67.295 36.049 1.00 40.29 O HETATM 2488 O HOH E1187 -2.358 48.775 21.139 1.00 37.68 O HETATM 2489 O HOH E1188 25.468 54.547 10.630 1.00 38.08 O HETATM 2490 O HOH E1189 26.269 57.982 10.932 1.00 40.24 O HETATM 2491 O HOH E1190 -8.722 64.761 7.105 1.00 42.37 O HETATM 2492 O HOH E1191 -5.645 54.834 33.454 1.00 36.31 O HETATM 2493 O HOH E1192 2.792 79.661 9.487 1.00 35.61 O HETATM 2494 O HOH E1193 8.785 50.688 2.941 1.00 38.95 O HETATM 2495 O HOH E1194 16.698 53.035 34.350 1.00 43.59 O HETATM 2496 O HOH E1195 3.547 64.588 0.896 1.00 36.41 O HETATM 2497 O HOH E1196 14.770 66.325 37.168 1.00 38.01 O HETATM 2498 O HOH E1197 1.880 62.289 -0.081 1.00 40.04 O HETATM 2499 O HOH E1198 -7.999 63.273 9.299 1.00 22.49 O HETATM 2500 O HOH E1199 -9.806 61.309 9.648 1.00 29.58 O HETATM 2501 O HOH I 108 14.540 77.423 17.970 1.00 9.31 O HETATM 2502 O HOH I 119 15.475 85.449 12.609 1.00 9.57 O HETATM 2503 O HOH I 126 19.758 73.074 18.325 1.00 11.84 O HETATM 2504 O HOH I 133 14.312 83.705 14.416 1.00 10.53 O HETATM 2505 O HOH I 135 16.045 90.068 13.834 1.00 11.24 O HETATM 2506 O HOH I 137 17.193 87.513 13.186 1.00 11.63 O HETATM 2507 O HOH I 138 18.279 77.719 7.627 1.00 16.88 O HETATM 2508 O HOH I 150 4.954 86.881 10.189 1.00 12.35 O HETATM 2509 O HOH I 216 6.840 77.710 17.485 1.00 20.69 O HETATM 2510 O HOH I 218 0.626 90.921 -1.214 1.00 17.52 O HETATM 2511 O HOH I 232 3.367 92.637 1.870 1.00 15.94 O HETATM 2512 O HOH I 237 18.270 80.510 4.089 1.00 20.26 O HETATM 2513 O HOH I 238 1.319 88.520 -2.441 1.00 20.49 O HETATM 2514 O HOH I 241 14.833 91.426 -4.920 1.00 18.39 O HETATM 2515 O HOH I 303 3.258 91.616 -0.729 1.00 18.43 O HETATM 2516 O HOH I 317 11.320 100.099 17.708 1.00 21.07 O HETATM 2517 O HOH I 318 5.939 78.815 9.683 1.00 21.44 O HETATM 2518 O HOH I 322 20.694 86.284 14.359 1.00 23.05 O HETATM 2519 O HOH I 325 17.493 90.096 -5.419 1.00 24.65 O HETATM 2520 O HOH I 326 20.463 76.364 16.067 1.00 23.45 O HETATM 2521 O HOH I 329 0.694 92.955 2.524 1.00 22.44 O HETATM 2522 O HOH I 336 16.138 84.990 20.811 1.00 25.12 O HETATM 2523 O HOH I 412 18.253 94.004 16.031 1.00 21.43 O HETATM 2524 O HOH I 416 4.545 95.149 8.899 1.00 20.37 O HETATM 2525 O HOH I 417 20.729 95.220 12.574 1.00 22.40 O HETATM 2526 O HOH I 424 20.035 79.869 8.255 1.00 26.58 O HETATM 2527 O HOH I 430 14.164 89.594 19.680 1.00 27.28 O HETATM 2528 O HOH I 432 0.376 86.200 4.958 1.00 29.24 O HETATM 2529 O HOH I 445 3.581 80.980 16.378 1.00 27.17 O HETATM 2530 O HOH I 448 19.395 80.607 10.776 1.00 27.35 O HETATM 2531 O HOH I 450 8.534 89.141 13.363 1.00 26.27 O HETATM 2532 O HOH I 503 0.222 88.964 -5.005 1.00 27.22 O HETATM 2533 O HOH I 512 10.076 86.749 -1.076 1.00 24.51 O HETATM 2534 O HOH I 513 20.266 81.335 5.837 1.00 35.07 O HETATM 2535 O HOH I 519 14.774 97.688 14.203 1.00 31.88 O HETATM 2536 O HOH I 520 12.442 66.809 5.009 1.00 29.05 O HETATM 2537 O HOH I 521 7.823 84.808 15.278 1.00 36.60 O HETATM 2538 O HOH I 532 22.265 83.078 10.258 1.00 28.33 O HETATM 2539 O HOH I 537 3.643 89.220 -3.980 1.00 32.64 O HETATM 2540 O HOH I 538 7.153 80.507 20.615 1.00 36.64 O HETATM 2541 O HOH I 554 9.338 82.724 19.897 1.00 30.84 O HETATM 2542 O HOH I 555 0.985 85.286 8.010 1.00 29.66 O HETATM 2543 O HOH I 563 23.097 86.529 0.553 1.00 37.32 O HETATM 2544 O HOH I 570 22.078 81.480 20.730 1.00 37.17 O HETATM 2545 O HOH I 573 19.840 90.358 17.193 1.00 34.89 O HETATM 2546 O HOH I 579 18.916 76.144 5.360 1.00 30.51 O HETATM 2547 O HOH I 584 11.602 98.138 8.251 1.00 35.51 O HETATM 2548 O HOH I 591 19.520 78.149 3.282 1.00 27.68 O HETATM 2549 O HOH I 594 12.695 98.304 15.804 1.00 30.66 O HETATM 2550 O HOH I 611 10.862 89.706 -1.096 1.00 24.80 O HETATM 2551 O HOH I 671 11.696 88.445 19.260 1.00 36.72 O HETATM 2552 O HOH I 679 22.032 83.254 13.689 1.00 34.35 O HETATM 2553 O HOH I 756 9.617 86.941 15.376 1.00 39.07 O HETATM 2554 O HOH I 774 13.933 99.454 7.562 1.00 40.35 O HETATM 2555 O HOH I 778 14.078 94.989 -3.163 1.00 32.09 O HETATM 2556 O HOH I 783 8.768 98.490 4.395 1.00 44.05 O HETATM 2557 O HOH I 838 17.995 99.843 7.660 1.00 38.68 O HETATM 2558 O HOH I 863 22.782 96.963 11.533 1.00 39.53 O HETATM 2559 O HOH I 864 19.874 82.128 2.256 1.00 31.63 O HETATM 2560 O HOH I 897 18.448 89.535 20.055 1.00 37.71 O HETATM 2561 O HOH I 898 17.412 93.403 20.101 1.00 40.62 O HETATM 2562 O AHOH I 902 19.429 91.072 6.378 0.50 7.31 O HETATM 2563 O BHOH I 902 19.786 89.350 6.936 0.50 18.45 O HETATM 2564 O HOH I 907 18.337 81.242 22.532 1.00 40.91 O HETATM 2565 O HOH I 910 4.509 83.227 1.626 1.00 18.93 O HETATM 2566 O HOH I 912 5.125 80.194 1.400 1.00 40.32 O HETATM 2567 O AHOH I 913 10.540 85.229 20.562 0.50 15.30 O HETATM 2568 O BHOH I 913 11.782 85.447 21.177 0.50 20.38 O HETATM 2569 O BHOH I 922 16.863 80.151 1.380 1.00 28.31 O HETATM 2570 O HOH I 923 20.721 78.960 18.860 1.00 28.08 O HETATM 2571 O HOH I 930 7.950 87.955 -2.272 1.00 39.86 O HETATM 2572 O HOH I 936 20.766 99.154 11.695 1.00 38.95 O HETATM 2573 O HOH I 946 9.166 88.323 17.937 1.00 39.93 O HETATM 2574 O HOH I 947 14.484 95.116 21.422 1.00 37.00 O CONECT 48 1073 CONECT 185 298 CONECT 298 185 CONECT 416 2223 CONECT 424 2222 CONECT 428 2223 CONECT 452 2223 CONECT 471 2222 CONECT 492 2223 CONECT 760 766 CONECT 766 760 767 CONECT 767 766 768 770 CONECT 768 767 769 773 CONECT 769 768 CONECT 770 767 771 CONECT 771 770 772 774 CONECT 772 771 CONECT 773 768 CONECT 774 771 CONECT 862 1615 CONECT 904 1421 CONECT 1073 48 CONECT 1171 1284 CONECT 1284 1171 CONECT 1359 1516 CONECT 1421 904 CONECT 1516 1359 CONECT 1615 862 CONECT 1784 2206 CONECT 1851 2057 CONECT 1991 2174 CONECT 2007 2278 CONECT 2057 1851 CONECT 2174 1991 CONECT 2206 1784 CONECT 2222 424 471 CONECT 2223 416 428 452 492 CONECT 2223 2311 2315 CONECT 2224 2226 2228 2230 2232 CONECT 2225 2227 2229 2231 2233 CONECT 2226 2224 CONECT 2227 2225 CONECT 2228 2224 CONECT 2229 2225 CONECT 2230 2224 CONECT 2231 2225 CONECT 2232 2224 CONECT 2233 2225 CONECT 2234 2235 2236 2237 2238 CONECT 2235 2234 CONECT 2236 2234 CONECT 2237 2234 CONECT 2238 2234 CONECT 2239 2240 2241 2242 2243 CONECT 2240 2239 CONECT 2241 2239 CONECT 2242 2239 CONECT 2243 2239 CONECT 2244 2246 2248 2250 2252 CONECT 2245 2247 2249 2251 2253 CONECT 2246 2244 CONECT 2247 2245 CONECT 2248 2244 CONECT 2249 2245 CONECT 2250 2244 CONECT 2251 2245 CONECT 2252 2244 CONECT 2253 2245 CONECT 2254 2255 2256 CONECT 2255 2254 CONECT 2256 2254 2257 CONECT 2257 2256 CONECT 2258 2259 2260 CONECT 2259 2258 CONECT 2260 2258 2261 CONECT 2261 2260 CONECT 2262 2263 2264 CONECT 2263 2262 CONECT 2264 2262 2265 CONECT 2265 2264 CONECT 2266 2267 2268 CONECT 2267 2266 CONECT 2268 2266 2269 CONECT 2269 2268 CONECT 2270 2271 2272 CONECT 2271 2270 CONECT 2272 2270 2273 CONECT 2273 2272 CONECT 2274 2275 2276 CONECT 2275 2274 CONECT 2276 2274 2277 CONECT 2277 2276 CONECT 2278 2007 2569 CONECT 2279 2280 2281 2282 2283 CONECT 2280 2279 CONECT 2281 2279 CONECT 2282 2279 CONECT 2283 2279 CONECT 2284 2285 2286 2287 2288 CONECT 2285 2284 CONECT 2286 2284 CONECT 2287 2284 CONECT 2288 2284 CONECT 2289 2291 2293 2295 2297 CONECT 2290 2292 2294 2296 2298 CONECT 2291 2289 CONECT 2292 2290 CONECT 2293 2289 CONECT 2294 2290 CONECT 2295 2289 CONECT 2296 2290 CONECT 2297 2289 CONECT 2298 2290 CONECT 2299 2300 2301 2302 2303 CONECT 2300 2299 CONECT 2301 2299 CONECT 2302 2299 CONECT 2303 2299 CONECT 2311 2223 CONECT 2315 2223 CONECT 2569 2278 MASTER 462 0 18 5 16 0 31 6 2398 2 121 23 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2ftl
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
trypsin
Ligand Name
wt BPTI
EC.Number
E.C.3.4.21.4
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Kd=60fM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Journal of molecular biology. (2007) 366, pp. 230-43
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):
P00974
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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