Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JAN-06 2FTM TITLE CRYSTAL STRUCTURE OF TRYPSIN COMPLEXED WITH THE BPTI VARIANT (TYR35- TITLE 2 >GLY) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 9 CHAIN: B; COMPND 10 SYNONYM: BASIC PROTEASE INHIBITOR, BPI, BPTI, APROTININ; COMPND 11 ENGINEERED: YES; COMPND 12 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_TAXID: 9913; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 8 ORGANISM_TAXID: 9913; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 634468; 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 7 29-AUG-18 2FTM 1 COMPND SOURCE REVDAT 6 27-JUL-11 2FTM 1 HETNAM HETSYN REMARK REVDAT 5 13-JUL-11 2FTM 1 VERSN REVDAT 4 08-SEP-09 2FTM 1 HET REVDAT 3 24-FEB-09 2FTM 1 VERSN REVDAT 2 20-FEB-07 2FTM 1 JRNL REVDAT 1 14-FEB-06 2FTM 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. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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) : 1.65 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) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 45459 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM; SAME SET AS FOR PDB REMARK 3 IDS 2FI3, 2FI4 AND 2FI5 REMARK 3 R VALUE (WORKING SET) : 0.207 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3671 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) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.75 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.28 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 6657 REMARK 3 BIN R VALUE (WORKING SET) : 0.2530 REMARK 3 BIN FREE R VALUE : 0.2870 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 582 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 : 2076 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 64 REMARK 3 SOLVENT ATOMS : 238 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 25.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.70 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) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.14 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) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.17 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.300 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.000 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) : 1.001 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.518 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.523 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.176 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 22.48 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 FOR MEASURED REMARK 3 REFLECTION INTENSITIES (MLI) TARGET AS IMPLEMENTED IN CNS SOLVE REMARK 3 1.1 REMARK 4 REMARK 4 2FTM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-FEB-06. REMARK 100 THE DEPOSITION ID IS D_1000036296. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-AUG-02 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 8.0 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 : 45459 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 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 (%) : 99.7 REMARK 200 DATA REDUNDANCY : 10.00 REMARK 200 R MERGE (I) : 0.04600 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 21.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.71 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.1 REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 REMARK 200 R MERGE FOR SHELL (I) : 0.23200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 5.600 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 ID 2PTC REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 61.16 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10 MM CALCIUM CHLORIDE, 0.1 M HEPES, REMARK 280 2.0 M AMMONIUM SULFATE, 0.02% SODIUM AZIDE; 20% ETHYLENE GLYCOL REMARK 280 ADDED UPON HARVESTING AND PRIOR TO FREEZING, PH 8.0, 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 37.29550 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.86800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 61.79750 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 37.29550 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.86800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 61.79750 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 37.29550 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 40.86800 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 61.79750 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 37.29550 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 40.86800 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 61.79750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6 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: 4160 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11700 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -120.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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: 25450 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 38150 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -614.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 163.47200 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 163.47200 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: 10720 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 21000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -276.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 163.47200 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: 9920 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 21880 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -267.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 163.47200 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: 8100 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 23700 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -280.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 163.47200 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 -1.000000 0.000000 163.47200 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 350 REMARK 350 BIOMOLECULE: 6 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3600 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12260 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -129.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 163.47200 REMARK 350 BIOMT3 2 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 B2003 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 A 145 CD CE NZ REMARK 470 LYS B 26 CG CD CE NZ 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 A 71 -78.94 -131.83 REMARK 500 SER A 214 -71.00 -121.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 THE RESIDUE IAS 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 IN CONFORMER REMARK 600 A OF THE RESIDUES. REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A2002 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE2 REMARK 620 2 ASN A 72 O 89.8 REMARK 620 3 VAL A 75 O 165.5 82.4 REMARK 620 4 GLU A 80 OE2 104.1 158.5 87.1 REMARK 620 5 HOH A 405 O 81.5 87.1 110.2 79.0 REMARK 620 6 HOH A 409 O 79.8 104.0 90.2 94.8 158.1 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A2001 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 71 OD2 REMARK 620 2 GLU A 77 OE2 125.6 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B2003 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR B 32 N REMARK 620 2 HOH B 513 O 88.2 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 A 2001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 2006 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 2010 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 2011 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 2012 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 2002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 1003 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 1004 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 2004 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 2005 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 2007 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 2008 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 2009 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 2003 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2PTC RELATED DB: PDB REMARK 900 WILD-TYPE BPTI COMPLEXED WITH TRYPSIN REMARK 900 RELATED ID: 2FTL RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRYPSIN COMPLEXED WITH BPTI AT 100K DBREF 2FTM A 16 238 UNP P00760 TRY1_BOVIN 21 243 DBREF 2FTM B 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQADV 2FTM IAS A 115 UNP P00760 ASN 117 ENGINEERED MUTATION SEQADV 2FTM ASP A 115 UNP P00760 ASN 117 MICROHETEROGENEITY SEQADV 2FTM GLY B 35 UNP P00974 TYR 70 ENGINEERED MUTATION SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU IAS SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN SEQRES 1 B 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 B 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 B 58 ALA GLY LEU CYS GLN THR PHE VAL GLY GLY GLY CYS ARG SEQRES 4 B 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 B 58 ARG THR CYS GLY GLY ALA HET IAS A 115 8 HET NA A2001 1 HET SO4 A2006 5 HET SO4 A2010 5 HET SO4 A2011 5 HET SO4 A2012 10 HET CA A2002 1 HET EDO A1001 4 HET EDO A1002 4 HET EDO A1003 4 HET EDO A1004 4 HET SO4 B2004 5 HET SO4 B2005 5 HET SO4 B2007 5 HET SO4 B2008 5 HET SO4 B2009 5 HET CA B2003 1 HETNAM IAS BETA-L-ASPARTIC ACID HETNAM NA SODIUM ION HETNAM SO4 SULFATE ION HETNAM CA CALCIUM 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 SO4 9(O4 S 2-) FORMUL 8 CA 2(CA 2+) FORMUL 9 EDO 4(C2 H6 O2) FORMUL 19 HOH *238(H2 O) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 TYR A 234 SER A 244 1 11 HELIX 4 4 ASP B 3 GLU B 7 5 5 HELIX 5 5 SER B 47 GLY B 56 1 10 SHEET 1 A 7 TYR A 20 THR A 21 0 SHEET 2 A 7 LYS A 156 PRO A 161 -1 O CYS A 157 N TYR A 20 SHEET 3 A 7 GLN A 135 GLY A 140 -1 N ILE A 138 O LEU A 158 SHEET 4 A 7 PRO A 198 CYS A 201 -1 O VAL A 200 N LEU A 137 SHEET 5 A 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 A 7 GLY A 226 LYS A 230 -1 O VAL A 227 N TRP A 215 SHEET 7 A 7 MET A 180 ALA A 183 -1 N PHE A 181 O TYR A 228 SHEET 1 B 7 GLN A 30 ASN A 34 0 SHEET 2 B 7 HIS A 40 ASN A 48 -1 O CYS A 42 N LEU A 33 SHEET 3 B 7 TRP A 51 SER A 54 -1 O VAL A 53 N SER A 45 SHEET 4 B 7 MET A 104 LEU A 108 -1 O ILE A 106 N VAL A 52 SHEET 5 B 7 GLN A 81 VAL A 90 -1 N ILE A 89 O LEU A 105 SHEET 6 B 7 GLN A 64 LEU A 67 -1 N VAL A 65 O ILE A 83 SHEET 7 B 7 GLN A 30 ASN A 34 -1 N SER A 32 O ARG A 66 SHEET 1 C 2 ILE B 18 ASN B 24 0 SHEET 2 C 2 LEU B 29 GLY B 35 -1 O GLY B 35 N ILE B 18 SSBOND 1 CYS A 22 CYS A 157 1555 1555 2.03 SSBOND 2 CYS A 42 CYS A 58 1555 1555 2.04 SSBOND 3 CYS A 128 CYS A 232 1555 1555 2.03 SSBOND 4 CYS A 136 CYS A 201 1555 1555 2.03 SSBOND 5 CYS A 168 CYS A 182 1555 1555 2.03 SSBOND 6 CYS A 191 CYS A 220 1555 1555 2.03 SSBOND 7 CYS B 5 CYS B 55 1555 1555 2.02 SSBOND 8 CYS B 14 CYS B 38 1555 1555 2.02 SSBOND 9 CYS B 30 CYS B 51 1555 1555 2.03 LINK OE2 GLU A 70 CA CA A2002 1555 1555 2.25 LINK OD2 ASP A 71 NA NA A2001 1555 1555 2.53 LINK O ASN A 72 CA CA A2002 1555 1555 2.37 LINK O VAL A 75 CA CA A2002 1555 1555 2.24 LINK OE2 GLU A 77 NA NA A2001 1555 1555 2.69 LINK OE2 GLU A 80 CA CA A2002 1555 1555 2.32 LINK N THR B 32 CA CA B2003 1555 1555 2.88 LINK CA CA A2002 O HOH A 405 1555 1555 2.41 LINK CA CA A2002 O HOH A 409 1555 1555 2.30 LINK CA CA B2003 O BHOH B 513 1555 1555 2.91 LINK C ALEU A 114 N AIAS A 115 1555 1555 1.33 LINK CG AIAS A 115 N ASER A 116 1555 1555 1.33 SITE 1 AC1 2 ASP A 71 GLU A 77 SITE 1 AC2 3 LYS A 169 PRO A 173 GLY A 174 SITE 1 AC3 2 LYS A 60 SER A 61 SITE 1 AC4 5 PRO A 152 ASP A 153 VAL A 154 LYS A 156 SITE 2 AC4 5 HOH A 715 SITE 1 AC5 9 SER A 93 ASN A 95 ASN A 100 ASN A 101 SITE 2 AC5 9 SER A 178 ASN A 179 HOH A 464 HOH A 676 SITE 3 AC5 9 HOH A 782 SITE 1 AC6 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE 2 AC6 6 HOH A 405 HOH A 409 SITE 1 AC7 3 TYR A 20 CYS A 22 THR A 26 SITE 1 AC8 8 GLY A 216 GLY A 219 TYR B 10 GLY B 12 SITE 2 AC8 8 PRO B 13 HOH B 322 HOH B 393 SO4 B2007 SITE 1 AC9 6 ALA A 129 ILE A 162 ASP A 165 PHE A 181 SITE 2 AC9 6 LYS A 230 HOH A 455 SITE 1 BC1 2 GLN A 175 ARG B 39 SITE 1 BC2 6 GLU B 7 ARG B 42 HOH B 324 HOH B 447 SITE 2 BC2 6 HOH B 562 HOH B 643 SITE 1 BC3 7 LYS A 87 LYS A 107 ARG B 1 ARG B 42 SITE 2 BC3 7 HOH B 507 HOH B 592 HOH B 606 SITE 1 BC4 7 EDO A1002 PRO B 9 TYR B 10 THR B 11 SITE 2 BC4 7 GLY B 12 HOH B 393 HOH B 549 SITE 1 BC5 9 GLN A 50 LYS A 107 SER A 164 ASP A 165 SITE 2 BC5 9 SER A 166 HOH A 536 ARG B 1 HOH B 607 SITE 3 BC5 9 HOH B 701 SITE 1 BC6 5 GLN A 50 LYS A 109 SER A 110 ALA A 111 SITE 2 BC6 5 ARG B 1 SITE 1 BC7 3 GLN B 31 THR B 32 HOH B 513 CRYST1 74.591 81.736 123.595 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 0.013406 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012235 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008091 0.00000 ATOM 1 N ILE A 16 18.702 63.406 12.757 1.00 11.36 N ATOM 2 CA ILE A 16 19.600 62.537 13.573 1.00 12.41 C ATOM 3 C ILE A 16 20.994 62.561 12.963 1.00 12.31 C ATOM 4 O ILE A 16 21.168 62.223 11.790 1.00 12.70 O ATOM 5 CB ILE A 16 19.101 61.073 13.607 1.00 11.71 C ATOM 6 CG1 ILE A 16 17.694 60.994 14.211 1.00 12.67 C ATOM 7 CG2 ILE A 16 20.068 60.198 14.414 1.00 13.10 C ATOM 8 CD1 ILE A 16 17.627 61.313 15.701 1.00 13.45 C ATOM 9 N VAL A 17 21.970 62.985 13.764 1.00 12.79 N ATOM 10 CA VAL A 17 23.367 63.056 13.339 1.00 13.80 C ATOM 11 C VAL A 17 24.129 61.871 13.934 1.00 14.96 C ATOM 12 O VAL A 17 23.979 61.560 15.119 1.00 14.03 O ATOM 13 CB VAL A 17 24.035 64.367 13.824 1.00 13.73 C ATOM 14 CG1 VAL A 17 25.490 64.436 13.352 1.00 13.24 C ATOM 15 CG2 VAL A 17 23.267 65.583 13.307 1.00 13.38 C ATOM 16 N GLY A 18 24.938 61.214 13.105 1.00 15.30 N ATOM 17 CA GLY A 18 25.731 60.083 13.558 1.00 16.29 C ATOM 18 C GLY A 18 24.947 58.814 13.823 1.00 17.12 C ATOM 19 O GLY A 18 25.428 57.911 14.518 1.00 17.19 O ATOM 20 N GLY A 19 23.748 58.733 13.253 1.00 15.90 N ATOM 21 CA GLY A 19 22.910 57.567 13.445 1.00 16.77 C ATOM 22 C GLY A 19 22.990 56.559 12.321 1.00 17.44 C ATOM 23 O GLY A 19 23.991 56.482 11.603 1.00 18.97 O ATOM 24 N TYR A 20 21.919 55.789 12.165 1.00 17.08 N ATOM 25 CA TYR A 20 21.841 54.762 11.137 1.00 17.33 C ATOM 26 C TYR A 20 20.414 54.625 10.630 1.00 18.56 C ATOM 27 O TYR A 20 19.467 55.066 11.283 1.00 17.78 O ATOM 28 CB TYR A 20 22.315 53.414 11.701 1.00 18.57 C ATOM 29 CG TYR A 20 21.512 52.911 12.889 1.00 17.59 C ATOM 30 CD1 TYR A 20 20.468 51.999 12.714 1.00 18.73 C ATOM 31 CD2 TYR A 20 21.795 53.347 14.185 1.00 19.01 C ATOM 32 CE1 TYR A 20 19.725 51.535 13.802 1.00 19.26 C ATOM 33 CE2 TYR A 20 21.057 52.887 15.279 1.00 19.53 C ATOM 34 CZ TYR A 20 20.026 51.984 15.077 1.00 19.13 C ATOM 35 OH TYR A 20 19.291 51.532 16.149 1.00 21.11 O ATOM 36 N THR A 21 20.268 54.021 9.455 1.00 18.40 N ATOM 37 CA THR A 21 18.956 53.798 8.865 1.00 18.18 C ATOM 38 C THR A 21 18.230 52.741 9.695 1.00 18.78 C ATOM 39 O THR A 21 18.687 51.600 9.801 1.00 19.17 O ATOM 40 CB THR A 21 19.085 53.327 7.402 1.00 19.68 C ATOM 41 OG1 THR A 21 19.613 54.398 6.609 1.00 18.25 O ATOM 42 CG2 THR A 21 17.737 52.896 6.844 1.00 19.88 C ATOM 43 N CYS A 22 17.112 53.138 10.298 1.00 19.55 N ATOM 44 CA CYS A 22 16.316 52.244 11.138 1.00 18.92 C ATOM 45 C CYS A 22 15.859 50.986 10.412 1.00 19.84 C ATOM 46 O CYS A 22 16.014 49.872 10.912 1.00 19.73 O ATOM 47 CB CYS A 22 15.058 52.958 11.643 1.00 17.74 C ATOM 48 SG CYS A 22 15.287 54.523 12.532 1.00 15.37 S ATOM 49 N GLY A 23 15.293 51.184 9.227 1.00 20.78 N ATOM 50 CA GLY A 23 14.751 50.086 8.453 1.00 21.27 C ATOM 51 C GLY A 23 13.258 50.355 8.418 1.00 22.22 C ATOM 52 O GLY A 23 12.694 50.832 9.408 1.00 22.34 O ATOM 53 N ALA A 24 12.617 50.060 7.292 1.00 23.26 N ATOM 54 CA ALA A 24 11.185 50.303 7.127 1.00 24.41 C ATOM 55 C ALA A 24 10.281 49.817 8.257 1.00 23.84 C ATOM 56 O ALA A 24 10.209 48.622 8.549 1.00 24.10 O ATOM 57 CB ALA A 24 10.704 49.740 5.793 1.00 25.51 C ATOM 58 N ASN A 25 9.610 50.773 8.896 1.00 23.83 N ATOM 59 CA ASN A 25 8.664 50.515 9.979 1.00 23.09 C ATOM 60 C ASN A 25 9.200 49.758 11.198 1.00 22.82 C ATOM 61 O ASN A 25 8.441 49.073 11.888 1.00 24.07 O ATOM 62 CB ASN A 25 7.419 49.810 9.423 1.00 24.29 C ATOM 63 CG ASN A 25 6.867 50.490 8.179 1.00 25.14 C ATOM 64 OD1 ASN A 25 6.837 49.900 7.097 1.00 26.67 O ATOM 65 ND2 ASN A 25 6.434 51.736 8.325 1.00 24.35 N ATOM 66 N THR A 26 10.494 49.905 11.481 1.00 21.77 N ATOM 67 CA THR A 26 11.108 49.244 12.633 1.00 20.83 C ATOM 68 C THR A 26 10.849 50.013 13.934 1.00 19.86 C ATOM 69 O THR A 26 11.154 49.532 15.029 1.00 20.29 O ATOM 70 CB THR A 26 12.625 49.056 12.444 1.00 21.02 C ATOM 71 OG1 THR A 26 13.232 50.320 12.155 1.00 22.70 O ATOM 72 CG2 THR A 26 12.906 48.080 11.306 1.00 21.75 C ATOM 73 N VAL A 27 10.312 51.223 13.793 1.00 17.85 N ATOM 74 CA VAL A 27 9.962 52.093 14.916 1.00 16.58 C ATOM 75 C VAL A 27 8.507 52.480 14.616 1.00 17.07 C ATOM 76 O VAL A 27 8.213 53.617 14.244 1.00 15.00 O ATOM 77 CB VAL A 27 10.858 53.361 14.942 1.00 17.66 C ATOM 78 CG1 VAL A 27 10.621 54.150 16.211 1.00 16.76 C ATOM 79 CG2 VAL A 27 12.337 52.976 14.828 1.00 17.78 C ATOM 80 N PRO A 28 7.573 51.528 14.803 1.00 17.55 N ATOM 81 CA PRO A 28 6.132 51.686 14.557 1.00 16.64 C ATOM 82 C PRO A 28 5.384 52.812 15.262 1.00 15.91 C ATOM 83 O PRO A 28 4.301 53.205 14.818 1.00 17.08 O ATOM 84 CB PRO A 28 5.575 50.313 14.930 1.00 17.75 C ATOM 85 CG PRO A 28 6.491 49.869 16.020 1.00 17.22 C ATOM 86 CD PRO A 28 7.842 50.238 15.466 1.00 17.54 C ATOM 87 N TYR A 29 5.951 53.331 16.346 1.00 14.06 N ATOM 88 CA TYR A 29 5.322 54.414 17.097 1.00 14.45 C ATOM 89 C TYR A 29 5.764 55.805 16.636 1.00 13.50 C ATOM 90 O TYR A 29 5.227 56.813 17.090 1.00 13.60 O ATOM 91 CB TYR A 29 5.591 54.246 18.595 1.00 15.09 C ATOM 92 CG TYR A 29 7.052 54.061 18.913 1.00 14.85 C ATOM 93 CD1 TYR A 29 7.888 55.162 19.083 1.00 14.49 C ATOM 94 CD2 TYR A 29 7.608 52.786 19.001 1.00 15.88 C ATOM 95 CE1 TYR A 29 9.248 54.999 19.331 1.00 15.16 C ATOM 96 CE2 TYR A 29 8.967 52.612 19.246 1.00 15.21 C ATOM 97 CZ TYR A 29 9.778 53.725 19.409 1.00 15.17 C ATOM 98 OH TYR A 29 11.121 53.572 19.647 1.00 15.94 O ATOM 99 N GLN A 30 6.758 55.855 15.752 1.00 12.79 N ATOM 100 CA GLN A 30 7.258 57.129 15.238 1.00 13.69 C ATOM 101 C GLN A 30 6.326 57.690 14.174 1.00 12.65 C ATOM 102 O GLN A 30 5.982 57.001 13.213 1.00 13.90 O ATOM 103 CB GLN A 30 8.652 56.951 14.627 1.00 11.96 C ATOM 104 CG GLN A 30 9.168 58.167 13.835 1.00 12.15 C ATOM 105 CD GLN A 30 9.807 59.232 14.708 1.00 13.00 C ATOM 106 OE1 GLN A 30 9.401 60.401 14.698 1.00 14.14 O ATOM 107 NE2 GLN A 30 10.831 58.838 15.448 1.00 12.03 N ATOM 108 N VAL A 31 5.911 58.935 14.367 1.00 12.14 N ATOM 109 CA VAL A 31 5.056 59.607 13.402 1.00 12.93 C ATOM 110 C VAL A 31 5.721 60.898 12.948 1.00 12.91 C ATOM 111 O VAL A 31 6.657 61.398 13.582 1.00 12.69 O ATOM 112 CB VAL A 31 3.653 59.931 13.985 1.00 12.29 C ATOM 113 CG1 VAL A 31 3.034 58.679 14.582 1.00 13.44 C ATOM 114 CG2 VAL A 31 3.728 61.057 15.021 1.00 12.01 C ATOM 115 N SER A 32 5.266 61.399 11.807 1.00 12.11 N ATOM 116 CA SER A 32 5.764 62.646 11.256 1.00 12.48 C ATOM 117 C SER A 32 4.628 63.653 11.326 1.00 12.64 C ATOM 118 O SER A 32 3.480 63.305 11.041 1.00 14.03 O ATOM 119 CB SER A 32 6.171 62.455 9.791 1.00 12.73 C ATOM 120 OG SER A 32 6.299 63.711 9.133 1.00 13.11 O ATOM 121 N LEU A 33 4.926 64.866 11.782 1.00 11.22 N ATOM 122 CA LEU A 33 3.921 65.923 11.831 1.00 10.94 C ATOM 123 C LEU A 33 4.127 66.713 10.544 1.00 13.54 C ATOM 124 O LEU A 33 5.231 67.169 10.255 1.00 13.00 O ATOM 125 CB LEU A 33 4.098 66.813 13.060 1.00 10.91 C ATOM 126 CG LEU A 33 4.037 66.087 14.410 1.00 10.40 C ATOM 127 CD1 LEU A 33 3.904 67.115 15.508 1.00 11.10 C ATOM 128 CD2 LEU A 33 2.860 65.107 14.458 1.00 12.58 C ATOM 129 N ASN A 34 3.056 66.857 9.771 1.00 12.46 N ATOM 130 CA ASN A 34 3.122 67.529 8.482 1.00 13.81 C ATOM 131 C ASN A 34 2.210 68.749 8.384 1.00 14.00 C ATOM 132 O ASN A 34 1.044 68.703 8.767 1.00 14.63 O ATOM 133 CB ASN A 34 2.770 66.495 7.398 1.00 12.95 C ATOM 134 CG ASN A 34 2.920 67.032 5.991 1.00 14.38 C ATOM 135 OD1 ASN A 34 2.127 67.855 5.544 1.00 15.38 O ATOM 136 ND2 ASN A 34 3.923 66.539 5.273 1.00 13.00 N ATOM 137 N SER A 37 2.763 69.850 7.888 1.00 13.77 N ATOM 138 CA SER A 37 2.006 71.084 7.701 1.00 15.03 C ATOM 139 C SER A 37 2.325 71.558 6.287 1.00 15.19 C ATOM 140 O SER A 37 2.612 72.734 6.056 1.00 15.89 O ATOM 141 CB SER A 37 2.432 72.135 8.724 1.00 17.77 C ATOM 142 OG SER A 37 1.608 73.287 8.643 1.00 22.46 O ATOM 143 N GLY A 38 2.254 70.622 5.347 1.00 14.73 N ATOM 144 CA GLY A 38 2.572 70.913 3.959 1.00 15.84 C ATOM 145 C GLY A 38 3.962 70.380 3.662 1.00 16.87 C ATOM 146 O GLY A 38 4.437 70.429 2.528 1.00 17.02 O ATOM 147 N TYR A 39 4.609 69.884 4.716 1.00 14.70 N ATOM 148 CA TYR A 39 5.956 69.307 4.680 1.00 12.96 C ATOM 149 C TYR A 39 6.240 68.815 6.108 1.00 11.20 C ATOM 150 O TYR A 39 5.535 69.190 7.044 1.00 11.52 O ATOM 151 CB TYR A 39 7.000 70.364 4.275 1.00 12.56 C ATOM 152 CG TYR A 39 7.067 71.549 5.210 1.00 11.35 C ATOM 153 CD1 TYR A 39 6.196 72.627 5.065 1.00 10.82 C ATOM 154 CD2 TYR A 39 7.961 71.566 6.281 1.00 10.82 C ATOM 155 CE1 TYR A 39 6.205 73.691 5.965 1.00 13.53 C ATOM 156 CE2 TYR A 39 7.979 72.619 7.183 1.00 10.92 C ATOM 157 CZ TYR A 39 7.101 73.677 7.026 1.00 11.65 C ATOM 158 OH TYR A 39 7.098 74.713 7.929 1.00 13.43 O ATOM 159 N HIS A 40 7.269 67.991 6.269 1.00 11.52 N ATOM 160 CA HIS A 40 7.634 67.471 7.594 1.00 11.10 C ATOM 161 C HIS A 40 8.300 68.561 8.437 1.00 11.76 C ATOM 162 O HIS A 40 9.286 69.156 8.010 1.00 11.51 O ATOM 163 CB HIS A 40 8.592 66.288 7.448 1.00 10.83 C ATOM 164 CG HIS A 40 9.245 65.883 8.732 1.00 12.12 C ATOM 165 ND1 HIS A 40 8.697 64.949 9.585 1.00 11.54 N ATOM 166 CD2 HIS A 40 10.381 66.316 9.329 1.00 12.06 C ATOM 167 CE1 HIS A 40 9.466 64.827 10.653 1.00 12.38 C ATOM 168 NE2 HIS A 40 10.494 65.648 10.523 1.00 10.77 N ATOM 169 N PHE A 41 7.803 68.790 9.650 1.00 10.60 N ATOM 170 CA PHE A 41 8.397 69.823 10.503 1.00 10.03 C ATOM 171 C PHE A 41 8.734 69.357 11.918 1.00 9.65 C ATOM 172 O PHE A 41 9.436 70.051 12.645 1.00 10.36 O ATOM 173 CB PHE A 41 7.502 71.068 10.569 1.00 12.09 C ATOM 174 CG PHE A 41 6.254 70.882 11.393 1.00 11.69 C ATOM 175 CD1 PHE A 41 6.231 71.250 12.735 1.00 11.41 C ATOM 176 CD2 PHE A 41 5.108 70.333 10.828 1.00 11.58 C ATOM 177 CE1 PHE A 41 5.085 71.072 13.508 1.00 11.73 C ATOM 178 CE2 PHE A 41 3.953 70.151 11.594 1.00 12.73 C ATOM 179 CZ PHE A 41 3.944 70.521 12.936 1.00 11.52 C ATOM 180 N CYS A 42 8.200 68.205 12.311 1.00 10.41 N ATOM 181 CA CYS A 42 8.432 67.651 13.645 1.00 10.47 C ATOM 182 C CYS A 42 8.063 66.178 13.680 1.00 12.04 C ATOM 183 O CYS A 42 7.403 65.663 12.778 1.00 12.40 O ATOM 184 CB CYS A 42 7.562 68.375 14.688 1.00 10.54 C ATOM 185 SG CYS A 42 8.218 69.885 15.454 1.00 10.64 S ATOM 186 N GLY A 43 8.511 65.499 14.729 1.00 11.47 N ATOM 187 CA GLY A 43 8.181 64.103 14.905 1.00 10.83 C ATOM 188 C GLY A 43 7.195 63.993 16.057 1.00 10.49 C ATOM 189 O GLY A 43 6.768 65.006 16.631 1.00 10.39 O ATOM 190 N GLY A 44 6.835 62.760 16.388 1.00 10.98 N ATOM 191 CA GLY A 44 5.917 62.502 17.484 1.00 10.96 C ATOM 192 C GLY A 44 5.879 61.019 17.782 1.00 10.14 C ATOM 193 O GLY A 44 6.391 60.216 16.999 1.00 10.29 O ATOM 194 N SER A 45 5.280 60.653 18.917 1.00 10.81 N ATOM 195 CA SER A 45 5.169 59.254 19.325 1.00 11.64 C ATOM 196 C SER A 45 3.719 58.878 19.592 1.00 10.66 C ATOM 197 O SER A 45 3.033 59.537 20.371 1.00 12.66 O ATOM 198 CB SER A 45 5.982 59.004 20.591 1.00 12.30 C ATOM 199 OG SER A 45 7.332 59.372 20.392 1.00 13.26 O ATOM 200 N LEU A 46 3.272 57.810 18.944 1.00 12.65 N ATOM 201 CA LEU A 46 1.905 57.324 19.102 1.00 13.25 C ATOM 202 C LEU A 46 1.792 56.580 20.431 1.00 13.63 C ATOM 203 O LEU A 46 2.523 55.618 20.657 1.00 14.09 O ATOM 204 CB LEU A 46 1.573 56.362 17.962 1.00 13.90 C ATOM 205 CG LEU A 46 0.117 55.906 17.858 1.00 14.79 C ATOM 206 CD1 LEU A 46 -0.757 57.095 17.466 1.00 15.24 C ATOM 207 CD2 LEU A 46 0.001 54.795 16.828 1.00 14.94 C ATOM 208 N ILE A 47 0.896 57.022 21.312 1.00 15.05 N ATOM 209 CA ILE A 47 0.738 56.341 22.600 1.00 15.97 C ATOM 210 C ILE A 47 -0.521 55.478 22.697 1.00 17.00 C ATOM 211 O ILE A 47 -0.675 54.692 23.627 1.00 16.69 O ATOM 212 CB ILE A 47 0.883 57.295 23.803 1.00 18.01 C ATOM 213 CG1 ILE A 47 -0.134 58.427 23.737 1.00 17.05 C ATOM 214 CG2 ILE A 47 2.309 57.848 23.857 1.00 18.19 C ATOM 215 CD1 ILE A 47 -0.097 59.309 24.958 1.00 18.75 C ATOM 216 N ASN A 48 -1.421 55.656 21.735 1.00 17.30 N ATOM 217 CA ASN A 48 -2.643 54.860 21.597 1.00 17.94 C ATOM 218 C ASN A 48 -3.254 55.196 20.235 1.00 17.95 C ATOM 219 O ASN A 48 -2.783 56.112 19.560 1.00 17.81 O ATOM 220 CB ASN A 48 -3.630 55.003 22.783 1.00 19.92 C ATOM 221 CG ASN A 48 -4.250 56.378 22.901 1.00 21.27 C ATOM 222 OD1 ASN A 48 -4.697 56.965 21.920 1.00 21.74 O ATOM 223 ND2 ASN A 48 -4.330 56.876 24.130 1.00 24.82 N ATOM 224 N SER A 49 -4.274 54.452 19.818 1.00 17.96 N ATOM 225 CA SER A 49 -4.887 54.662 18.505 1.00 17.75 C ATOM 226 C SER A 49 -5.354 56.075 18.161 1.00 16.76 C ATOM 227 O SER A 49 -5.500 56.404 16.983 1.00 17.72 O ATOM 228 CB SER A 49 -6.047 53.690 18.295 1.00 18.72 C ATOM 229 OG SER A 49 -7.144 54.044 19.114 1.00 19.85 O ATOM 230 N GLN A 50 -5.571 56.916 19.167 1.00 16.75 N ATOM 231 CA GLN A 50 -6.056 58.271 18.914 1.00 17.35 C ATOM 232 C GLN A 50 -5.172 59.394 19.439 1.00 15.87 C ATOM 233 O GLN A 50 -5.512 60.565 19.273 1.00 16.12 O ATOM 234 CB GLN A 50 -7.450 58.450 19.529 1.00 20.02 C ATOM 235 CG GLN A 50 -8.520 57.522 18.990 1.00 22.90 C ATOM 236 CD GLN A 50 -9.825 57.636 19.761 1.00 25.45 C ATOM 237 OE1 GLN A 50 -10.019 56.968 20.779 1.00 28.30 O ATOM 238 NE2 GLN A 50 -10.721 58.488 19.286 1.00 26.44 N ATOM 239 N TRP A 51 -4.054 59.059 20.080 1.00 14.98 N ATOM 240 CA TRP A 51 -3.210 60.102 20.653 1.00 14.50 C ATOM 241 C TRP A 51 -1.718 60.012 20.379 1.00 13.29 C ATOM 242 O TRP A 51 -1.128 58.930 20.384 1.00 13.19 O ATOM 243 CB TRP A 51 -3.454 60.203 22.159 1.00 14.51 C ATOM 244 CG TRP A 51 -4.813 60.739 22.510 1.00 14.79 C ATOM 245 CD1 TRP A 51 -5.967 60.017 22.675 1.00 16.27 C ATOM 246 CD2 TRP A 51 -5.153 62.103 22.772 1.00 14.62 C ATOM 247 NE1 TRP A 51 -6.997 60.850 23.033 1.00 15.23 N ATOM 248 CE2 TRP A 51 -6.527 62.136 23.101 1.00 14.69 C ATOM 249 CE3 TRP A 51 -4.429 63.305 22.770 1.00 13.64 C ATOM 250 CZ2 TRP A 51 -7.192 63.321 23.426 1.00 13.88 C ATOM 251 CZ3 TRP A 51 -5.088 64.485 23.093 1.00 15.13 C ATOM 252 CH2 TRP A 51 -6.462 64.483 23.419 1.00 15.97 C ATOM 253 N VAL A 52 -1.131 61.184 20.152 1.00 12.86 N ATOM 254 CA VAL A 52 0.292 61.334 19.862 1.00 12.18 C ATOM 255 C VAL A 52 0.942 62.330 20.823 1.00 11.48 C ATOM 256 O VAL A 52 0.355 63.353 21.170 1.00 12.67 O ATOM 257 CB VAL A 52 0.496 61.846 18.400 1.00 11.96 C ATOM 258 CG1 VAL A 52 1.933 62.332 18.181 1.00 11.92 C ATOM 259 CG2 VAL A 52 0.153 60.751 17.405 1.00 12.49 C ATOM 260 N VAL A 53 2.149 62.006 21.283 1.00 13.15 N ATOM 261 CA VAL A 53 2.897 62.896 22.163 1.00 12.67 C ATOM 262 C VAL A 53 3.978 63.570 21.318 1.00 11.09 C ATOM 263 O VAL A 53 4.657 62.909 20.534 1.00 12.72 O ATOM 264 CB VAL A 53 3.599 62.126 23.309 1.00 14.64 C ATOM 265 CG1 VAL A 53 4.501 63.067 24.104 1.00 17.06 C ATOM 266 CG2 VAL A 53 2.573 61.508 24.226 1.00 16.30 C ATOM 267 N SER A 54 4.101 64.882 21.459 1.00 10.34 N ATOM 268 CA SER A 54 5.113 65.646 20.727 1.00 11.15 C ATOM 269 C SER A 54 5.595 66.781 21.627 1.00 11.51 C ATOM 270 O SER A 54 5.329 66.780 22.831 1.00 11.73 O ATOM 271 CB SER A 54 4.523 66.194 19.422 1.00 13.34 C ATOM 272 OG SER A 54 5.527 66.757 18.587 1.00 11.75 O ATOM 273 N ALA A 55 6.337 67.730 21.064 1.00 10.13 N ATOM 274 CA ALA A 55 6.832 68.854 21.844 1.00 10.87 C ATOM 275 C ALA A 55 5.885 70.041 21.733 1.00 11.18 C ATOM 276 O ALA A 55 5.206 70.205 20.719 1.00 12.09 O ATOM 277 CB ALA A 55 8.233 69.253 21.365 1.00 11.41 C ATOM 278 N ALA A 56 5.856 70.879 22.764 1.00 10.37 N ATOM 279 CA ALA A 56 5.002 72.057 22.757 1.00 11.63 C ATOM 280 C ALA A 56 5.424 73.034 21.663 1.00 12.94 C ATOM 281 O ALA A 56 4.572 73.671 21.042 1.00 13.22 O ATOM 282 CB ALA A 56 5.030 72.744 24.106 1.00 12.99 C ATOM 283 N HIS A 57 6.730 73.138 21.406 1.00 11.62 N ATOM 284 CA HIS A 57 7.189 74.062 20.369 1.00 10.82 C ATOM 285 C HIS A 57 6.864 73.569 18.960 1.00 11.79 C ATOM 286 O HIS A 57 7.127 74.266 17.976 1.00 11.33 O ATOM 287 CB HIS A 57 8.679 74.427 20.525 1.00 11.89 C ATOM 288 CG HIS A 57 9.626 73.326 20.172 1.00 11.35 C ATOM 289 ND1 HIS A 57 10.129 72.446 21.105 1.00 12.57 N ATOM 290 CD2 HIS A 57 10.188 72.983 18.989 1.00 11.08 C ATOM 291 CE1 HIS A 57 10.961 71.608 20.512 1.00 11.67 C ATOM 292 NE2 HIS A 57 11.013 71.913 19.228 1.00 11.54 N ATOM 293 N CYS A 58 6.293 72.368 18.872 1.00 11.43 N ATOM 294 CA CYS A 58 5.871 71.805 17.595 1.00 11.25 C ATOM 295 C CYS A 58 4.414 72.175 17.307 1.00 12.50 C ATOM 296 O CYS A 58 3.855 71.725 16.304 1.00 13.26 O ATOM 297 CB CYS A 58 6.023 70.283 17.552 1.00 12.74 C ATOM 298 SG CYS A 58 7.735 69.666 17.420 1.00 10.02 S ATOM 299 N ATYR A 59 3.802 72.976 18.180 0.50 13.96 N ATOM 300 N BTYR A 59 3.792 72.958 18.190 0.50 12.63 N ATOM 301 CA ATYR A 59 2.422 73.397 17.961 0.50 15.50 C ATOM 302 CA BTYR A 59 2.406 73.357 17.967 0.50 13.09 C ATOM 303 C ATYR A 59 2.361 74.210 16.677 0.50 16.45 C ATOM 304 C BTYR A 59 2.302 74.148 16.673 0.50 13.98 C ATOM 305 O ATYR A 59 2.994 75.263 16.561 0.50 16.37 O ATOM 306 O BTYR A 59 3.104 75.043 16.407 0.50 13.88 O ATOM 307 CB ATYR A 59 1.882 74.249 19.116 0.50 17.02 C ATOM 308 CB BTYR A 59 1.839 74.196 19.116 0.50 13.90 C ATOM 309 CG ATYR A 59 0.551 74.902 18.782 0.50 19.23 C ATOM 310 CG BTYR A 59 0.410 74.634 18.846 0.50 15.33 C ATOM 311 CD1ATYR A 59 0.496 76.213 18.300 0.50 20.77 C ATOM 312 CD1BTYR A 59 -0.667 73.813 19.183 0.50 15.92 C ATOM 313 CD2ATYR A 59 -0.644 74.191 18.886 0.50 20.33 C ATOM 314 CD2BTYR A 59 0.140 75.836 18.189 0.50 16.04 C ATOM 315 CE1ATYR A 59 -0.712 76.794 17.922 0.50 22.25 C ATOM 316 CE1BTYR A 59 -1.976 74.177 18.868 0.50 18.25 C ATOM 317 CE2ATYR A 59 -1.859 74.765 18.512 0.50 22.06 C ATOM 318 CE2BTYR A 59 -1.163 76.206 17.867 0.50 17.19 C ATOM 319 CZ ATYR A 59 -1.884 76.065 18.030 0.50 22.79 C ATOM 320 CZ BTYR A 59 -2.214 75.372 18.209 0.50 18.42 C ATOM 321 OH ATYR A 59 -3.080 76.633 17.650 0.50 24.02 O ATOM 322 OH BTYR A 59 -3.503 75.732 17.884 0.50 19.70 O ATOM 323 N ALYS A 60 1.584 73.716 15.724 0.50 17.54 N ATOM 324 N BLYS A 60 1.268 73.835 15.906 0.50 14.60 N ATOM 325 CA ALYS A 60 1.427 74.387 14.447 0.50 19.74 C ATOM 326 CA BLYS A 60 1.023 74.474 14.626 0.50 16.88 C ATOM 327 C ALYS A 60 -0.028 74.316 14.034 0.50 20.08 C ATOM 328 C BLYS A 60 -0.397 74.077 14.251 0.50 17.21 C ATOM 329 O ALYS A 60 -0.829 73.613 14.654 0.50 19.68 O ATOM 330 O BLYS A 60 -0.824 72.956 14.528 0.50 17.29 O ATOM 331 CB ALYS A 60 2.294 73.714 13.387 0.50 19.77 C ATOM 332 CB BLYS A 60 2.016 73.913 13.600 0.50 17.70 C ATOM 333 CG ALYS A 60 3.199 74.667 12.654 0.50 20.06 C ATOM 334 CG BLYS A 60 2.323 74.797 12.413 0.50 17.95 C ATOM 335 CD ALYS A 60 3.950 73.964 11.546 0.50 20.29 C ATOM 336 CD BLYS A 60 3.472 74.199 11.613 0.50 17.94 C ATOM 337 CE ALYS A 60 4.932 74.897 10.882 0.50 20.20 C ATOM 338 CE BLYS A 60 3.892 75.094 10.460 0.50 18.25 C ATOM 339 NZ ALYS A 60 4.279 76.141 10.389 0.50 22.51 N ATOM 340 NZ BLYS A 60 4.324 76.444 10.924 0.50 17.17 N ATOM 341 N ASER A 61 -0.368 75.057 12.988 0.50 21.32 N ATOM 342 N BSER A 61 -1.158 75.015 13.700 0.50 19.16 N ATOM 343 CA ASER A 61 -1.733 75.065 12.497 0.50 22.23 C ATOM 344 CA BSER A 61 -2.521 74.715 13.283 0.50 19.92 C ATOM 345 C ASER A 61 -1.915 74.000 11.420 0.50 21.73 C ATOM 346 C BSER A 61 -2.459 73.961 11.955 0.50 19.87 C ATOM 347 O ASER A 61 -0.976 73.678 10.686 0.50 22.02 O ATOM 348 O BSER A 61 -1.481 74.083 11.214 0.50 20.71 O ATOM 349 CB ASER A 61 -2.087 76.443 11.948 0.50 23.08 C ATOM 350 CB BSER A 61 -3.329 76.007 13.127 0.50 20.40 C ATOM 351 OG ASER A 61 -3.490 76.611 11.916 0.50 26.93 O ATOM 352 OG BSER A 61 -2.654 76.936 12.294 0.50 23.47 O ATOM 353 N AGLY A 62 -3.117 73.431 11.373 0.50 21.12 N ATOM 354 N BGLY A 62 -3.474 73.145 11.689 0.50 20.48 N ATOM 355 CA AGLY A 62 -3.450 72.409 10.394 0.50 20.59 C ATOM 356 CA BGLY A 62 -3.520 72.388 10.448 0.50 19.99 C ATOM 357 C AGLY A 62 -2.527 71.206 10.358 0.50 19.47 C ATOM 358 C BGLY A 62 -2.588 71.192 10.370 0.50 19.15 C ATOM 359 O AGLY A 62 -2.123 70.771 9.281 0.50 19.88 O ATOM 360 O BGLY A 62 -2.226 70.757 9.279 0.50 19.48 O ATOM 361 N ILE A 63 -2.200 70.656 11.523 1.00 18.00 N ATOM 362 CA ILE A 63 -1.311 69.497 11.568 1.00 16.15 C ATOM 363 C ILE A 63 -1.939 68.216 11.035 1.00 16.05 C ATOM 364 O ILE A 63 -3.096 67.897 11.329 1.00 15.46 O ATOM 365 CB ILE A 63 -0.804 69.208 13.006 1.00 16.49 C ATOM 366 CG1 ILE A 63 0.160 70.301 13.458 1.00 15.90 C ATOM 367 CG2 ILE A 63 -0.104 67.850 13.072 1.00 16.07 C ATOM 368 CD1 ILE A 63 0.622 70.132 14.896 1.00 14.89 C ATOM 369 N GLN A 64 -1.167 67.507 10.222 1.00 14.32 N ATOM 370 CA GLN A 64 -1.579 66.219 9.686 1.00 14.28 C ATOM 371 C GLN A 64 -0.551 65.224 10.203 1.00 14.90 C ATOM 372 O GLN A 64 0.652 65.420 10.025 1.00 13.96 O ATOM 373 CB GLN A 64 -1.562 66.210 8.161 1.00 16.05 C ATOM 374 CG GLN A 64 -1.993 64.873 7.581 1.00 17.76 C ATOM 375 CD GLN A 64 -1.882 64.825 6.073 1.00 19.57 C ATOM 376 OE1 GLN A 64 -0.784 64.795 5.519 1.00 19.49 O ATOM 377 NE2 GLN A 64 -3.025 64.808 5.398 1.00 20.53 N ATOM 378 N VAL A 65 -1.019 64.186 10.885 1.00 13.53 N ATOM 379 CA VAL A 65 -0.120 63.173 11.419 1.00 13.85 C ATOM 380 C VAL A 65 0.068 62.061 10.401 1.00 13.63 C ATOM 381 O VAL A 65 -0.903 61.515 9.866 1.00 14.35 O ATOM 382 CB VAL A 65 -0.658 62.586 12.739 1.00 12.55 C ATOM 383 CG1 VAL A 65 0.297 61.521 13.283 1.00 13.71 C ATOM 384 CG2 VAL A 65 -0.861 63.696 13.755 1.00 13.11 C ATOM 385 N ARG A 66 1.324 61.752 10.100 1.00 12.96 N ATOM 386 CA ARG A 66 1.625 60.703 9.142 1.00 13.42 C ATOM 387 C ARG A 66 2.234 59.494 9.834 1.00 14.69 C ATOM 388 O ARG A 66 3.343 59.551 10.364 1.00 14.21 O ATOM 389 CB ARG A 66 2.514 61.246 8.025 1.00 14.07 C ATOM 390 CG ARG A 66 1.810 62.339 7.243 1.00 13.81 C ATOM 391 CD ARG A 66 2.575 62.792 6.014 1.00 14.85 C ATOM 392 NE ARG A 66 1.749 63.687 5.204 1.00 16.04 N ATOM 393 CZ ARG A 66 2.024 64.039 3.950 1.00 16.32 C ATOM 394 NH1 ARG A 66 3.116 63.584 3.348 1.00 16.38 N ATOM 395 NH2 ARG A 66 1.179 64.819 3.284 1.00 18.06 N ATOM 396 N LEU A 67 1.460 58.413 9.859 1.00 15.12 N ATOM 397 CA LEU A 67 1.866 57.169 10.502 1.00 15.93 C ATOM 398 C LEU A 67 2.268 56.111 9.479 1.00 16.56 C ATOM 399 O LEU A 67 1.886 56.192 8.311 1.00 18.34 O ATOM 400 CB LEU A 67 0.723 56.641 11.382 1.00 15.57 C ATOM 401 CG LEU A 67 0.116 57.617 12.398 1.00 15.00 C ATOM 402 CD1 LEU A 67 -1.133 58.276 11.816 1.00 16.46 C ATOM 403 CD2 LEU A 67 -0.238 56.874 13.678 1.00 16.89 C ATOM 404 N GLY A 69 3.050 55.127 9.922 1.00 15.79 N ATOM 405 CA GLY A 69 3.494 54.060 9.037 1.00 16.85 C ATOM 406 C GLY A 69 4.486 54.507 7.978 1.00 16.81 C ATOM 407 O GLY A 69 4.669 53.838 6.963 1.00 18.37 O ATOM 408 N GLU A 70 5.151 55.627 8.239 1.00 15.70 N ATOM 409 CA GLU A 70 6.124 56.200 7.322 1.00 15.79 C ATOM 410 C GLU A 70 7.549 55.683 7.456 1.00 17.35 C ATOM 411 O GLU A 70 7.989 55.302 8.544 1.00 16.33 O ATOM 412 CB GLU A 70 6.188 57.718 7.538 1.00 16.41 C ATOM 413 CG GLU A 70 5.009 58.518 7.021 1.00 16.89 C ATOM 414 CD GLU A 70 5.113 58.818 5.537 1.00 15.68 C ATOM 415 OE1 GLU A 70 4.516 59.822 5.096 1.00 15.50 O ATOM 416 OE2 GLU A 70 5.798 58.062 4.814 1.00 16.94 O ATOM 417 N ASP A 71 8.247 55.639 6.324 1.00 16.96 N ATOM 418 CA ASP A 71 9.668 55.306 6.300 1.00 17.02 C ATOM 419 C ASP A 71 10.246 56.406 5.424 1.00 17.06 C ATOM 420 O ASP A 71 10.782 57.385 5.930 1.00 17.74 O ATOM 421 CB ASP A 71 9.987 53.933 5.722 1.00 18.67 C ATOM 422 CG ASP A 71 11.460 53.593 5.876 1.00 20.68 C ATOM 423 OD1 ASP A 71 12.020 53.886 6.958 1.00 20.80 O ATOM 424 OD2 ASP A 71 12.074 53.077 4.922 1.00 21.33 O ATOM 425 N ASN A 72 10.093 56.264 4.110 1.00 18.04 N ATOM 426 CA ASN A 72 10.532 57.297 3.177 1.00 18.01 C ATOM 427 C ASN A 72 9.439 58.362 3.237 1.00 18.94 C ATOM 428 O ASN A 72 8.335 58.135 2.762 1.00 18.53 O ATOM 429 CB ASN A 72 10.652 56.723 1.764 1.00 18.83 C ATOM 430 CG ASN A 72 11.223 57.729 0.770 1.00 17.38 C ATOM 431 OD1 ASN A 72 10.937 58.928 0.841 1.00 17.43 O ATOM 432 ND2 ASN A 72 12.032 57.244 -0.160 1.00 21.18 N ATOM 433 N AILE A 73 9.797 59.490 3.834 0.50 19.84 N ATOM 434 N BILE A 73 9.708 59.509 3.856 0.50 19.19 N ATOM 435 CA AILE A 73 8.924 60.624 4.038 0.50 20.33 C ATOM 436 CA BILE A 73 8.679 60.550 3.955 0.50 19.63 C ATOM 437 C AILE A 73 8.532 61.380 2.761 0.50 21.11 C ATOM 438 C BILE A 73 8.399 61.292 2.661 0.50 20.63 C ATOM 439 O AILE A 73 7.568 62.165 2.775 0.50 19.42 O ATOM 440 O BILE A 73 7.412 62.008 2.549 0.50 19.64 O ATOM 441 CB AILE A 73 9.610 61.628 5.049 0.50 20.08 C ATOM 442 CB BILE A 73 8.941 61.592 5.068 0.50 19.40 C ATOM 443 CG1AILE A 73 8.546 62.435 5.795 0.50 21.41 C ATOM 444 CG1BILE A 73 10.336 62.226 4.950 0.50 19.78 C ATOM 445 CG2AILE A 73 10.605 62.549 4.338 0.50 20.69 C ATOM 446 CG2BILE A 73 8.724 60.985 6.432 0.50 19.53 C ATOM 447 CD1AILE A 73 7.742 61.613 6.772 0.50 21.10 C ATOM 448 CD1BILE A 73 10.525 63.492 5.750 0.50 18.59 C ATOM 449 N ASN A 74 9.261 61.117 1.673 1.00 21.15 N ATOM 450 CA ASN A 74 9.042 61.775 0.394 1.00 23.16 C ATOM 451 C ASN A 74 8.332 60.910 -0.652 1.00 23.98 C ATOM 452 O ASN A 74 8.017 61.397 -1.741 1.00 26.37 O ATOM 453 CB ASN A 74 10.373 62.293 -0.154 1.00 22.69 C ATOM 454 CG ASN A 74 10.947 63.419 0.689 1.00 23.24 C ATOM 455 OD1 ASN A 74 10.251 64.386 1.003 1.00 26.41 O ATOM 456 ND2 ASN A 74 12.220 63.302 1.059 1.00 22.53 N ATOM 457 N VAL A 75 8.074 59.643 -0.330 1.00 24.40 N ATOM 458 CA VAL A 75 7.425 58.729 -1.272 1.00 25.29 C ATOM 459 C VAL A 75 6.333 57.867 -0.637 1.00 26.43 C ATOM 460 O VAL A 75 6.505 57.356 0.467 1.00 25.20 O ATOM 461 CB VAL A 75 8.471 57.780 -1.926 1.00 25.72 C ATOM 462 CG1 VAL A 75 7.787 56.768 -2.843 1.00 26.41 C ATOM 463 CG2 VAL A 75 9.504 58.580 -2.705 1.00 25.55 C ATOM 464 N VAL A 76 5.209 57.716 -1.338 1.00 27.51 N ATOM 465 CA VAL A 76 4.107 56.884 -0.853 1.00 29.29 C ATOM 466 C VAL A 76 4.499 55.428 -1.092 1.00 30.34 C ATOM 467 O VAL A 76 4.596 54.986 -2.235 1.00 31.69 O ATOM 468 CB VAL A 76 2.775 57.204 -1.583 1.00 30.13 C ATOM 469 CG1 VAL A 76 1.691 56.215 -1.169 1.00 29.33 C ATOM 470 CG2 VAL A 76 2.334 58.622 -1.265 1.00 29.21 C ATOM 471 N GLU A 77 4.741 54.695 -0.008 1.00 31.52 N ATOM 472 CA GLU A 77 5.165 53.300 -0.091 1.00 32.71 C ATOM 473 C GLU A 77 4.081 52.248 0.144 1.00 34.08 C ATOM 474 O GLU A 77 4.328 51.053 -0.035 1.00 35.04 O ATOM 475 CB GLU A 77 6.363 53.068 0.838 1.00 32.38 C ATOM 476 CG GLU A 77 7.574 53.936 0.489 1.00 31.67 C ATOM 477 CD GLU A 77 8.775 53.682 1.383 1.00 32.51 C ATOM 478 OE1 GLU A 77 8.716 54.031 2.579 1.00 29.76 O ATOM 479 OE2 GLU A 77 9.787 53.146 0.883 1.00 31.99 O ATOM 480 N GLY A 78 2.898 52.683 0.575 1.00 34.71 N ATOM 481 CA GLY A 78 1.802 51.749 0.783 1.00 34.80 C ATOM 482 C GLY A 78 1.388 51.378 2.196 1.00 34.31 C ATOM 483 O GLY A 78 0.386 50.685 2.374 1.00 36.23 O ATOM 484 N ASN A 79 2.141 51.812 3.201 1.00 32.52 N ATOM 485 CA ASN A 79 1.798 51.490 4.585 1.00 30.19 C ATOM 486 C ASN A 79 1.445 52.735 5.397 1.00 27.32 C ATOM 487 O ASN A 79 1.264 52.668 6.614 1.00 26.63 O ATOM 488 CB ASN A 79 2.947 50.726 5.249 1.00 32.25 C ATOM 489 CG ASN A 79 3.245 49.408 4.555 1.00 34.43 C ATOM 490 OD1 ASN A 79 2.511 48.431 4.710 1.00 36.14 O ATOM 491 ND2 ASN A 79 4.323 49.379 3.778 1.00 34.94 N ATOM 492 N GLU A 80 1.297 53.860 4.705 1.00 23.48 N ATOM 493 CA GLU A 80 0.980 55.126 5.352 1.00 21.16 C ATOM 494 C GLU A 80 -0.474 55.321 5.741 1.00 20.63 C ATOM 495 O GLU A 80 -1.390 54.804 5.102 1.00 21.18 O ATOM 496 CB GLU A 80 1.381 56.309 4.465 1.00 20.83 C ATOM 497 CG GLU A 80 2.851 56.385 4.114 1.00 21.50 C ATOM 498 CD GLU A 80 3.179 55.745 2.781 1.00 20.88 C ATOM 499 OE1 GLU A 80 2.368 54.941 2.272 1.00 22.60 O ATOM 500 OE2 GLU A 80 4.258 56.057 2.241 1.00 20.00 O ATOM 501 N GLN A 81 -0.653 56.106 6.793 1.00 19.80 N ATOM 502 CA GLN A 81 -1.955 56.490 7.306 1.00 18.89 C ATOM 503 C GLN A 81 -1.818 57.974 7.600 1.00 19.26 C ATOM 504 O GLN A 81 -1.011 58.375 8.441 1.00 19.82 O ATOM 505 CB GLN A 81 -2.304 55.730 8.587 1.00 19.83 C ATOM 506 CG GLN A 81 -2.640 54.266 8.371 1.00 19.65 C ATOM 507 CD GLN A 81 -3.111 53.590 9.639 1.00 20.04 C ATOM 508 OE1 GLN A 81 -4.058 54.048 10.288 1.00 19.79 O ATOM 509 NE2 GLN A 81 -2.455 52.494 10.001 1.00 19.37 N ATOM 510 N PHE A 82 -2.516 58.792 6.819 1.00 18.29 N ATOM 511 CA PHE A 82 -2.486 60.238 6.995 1.00 18.23 C ATOM 512 C PHE A 82 -3.759 60.629 7.728 1.00 19.12 C ATOM 513 O PHE A 82 -4.858 60.500 7.184 1.00 20.20 O ATOM 514 CB PHE A 82 -2.437 60.955 5.638 1.00 18.14 C ATOM 515 CG PHE A 82 -1.158 60.747 4.865 1.00 18.82 C ATOM 516 CD1 PHE A 82 -1.007 61.315 3.604 1.00 20.33 C ATOM 517 CD2 PHE A 82 -0.107 59.999 5.386 1.00 19.69 C ATOM 518 CE1 PHE A 82 0.167 61.142 2.875 1.00 20.39 C ATOM 519 CE2 PHE A 82 1.071 59.822 4.663 1.00 19.51 C ATOM 520 CZ PHE A 82 1.207 60.394 3.407 1.00 18.92 C ATOM 521 N ILE A 83 -3.614 61.102 8.961 1.00 17.66 N ATOM 522 CA ILE A 83 -4.765 61.492 9.764 1.00 17.94 C ATOM 523 C ILE A 83 -4.573 62.886 10.344 1.00 17.89 C ATOM 524 O ILE A 83 -3.552 63.175 10.971 1.00 17.67 O ATOM 525 CB ILE A 83 -5.003 60.483 10.920 1.00 17.17 C ATOM 526 CG1 ILE A 83 -5.087 59.058 10.367 1.00 18.38 C ATOM 527 CG2 ILE A 83 -6.279 60.835 11.678 1.00 18.87 C ATOM 528 CD1 ILE A 83 -5.252 57.992 11.433 1.00 18.18 C ATOM 529 N SER A 84 -5.556 63.754 10.125 1.00 18.39 N ATOM 530 CA SER A 84 -5.487 65.118 10.631 1.00 17.80 C ATOM 531 C SER A 84 -5.647 65.189 12.140 1.00 18.06 C ATOM 532 O SER A 84 -6.320 64.355 12.752 1.00 17.87 O ATOM 533 CB SER A 84 -6.559 65.992 9.976 1.00 20.92 C ATOM 534 OG SER A 84 -6.346 66.101 8.582 1.00 24.99 O ATOM 535 N ALA A 85 -5.004 66.183 12.737 1.00 16.29 N ATOM 536 CA ALA A 85 -5.098 66.405 14.170 1.00 17.27 C ATOM 537 C ALA A 85 -6.446 67.061 14.445 1.00 18.45 C ATOM 538 O ALA A 85 -6.846 67.985 13.731 1.00 19.06 O ATOM 539 CB ALA A 85 -3.978 67.320 14.631 1.00 17.51 C ATOM 540 N SER A 86 -7.174 66.544 15.431 1.00 17.59 N ATOM 541 CA SER A 86 -8.463 67.122 15.800 1.00 16.31 C ATOM 542 C SER A 86 -8.275 68.030 17.005 1.00 16.46 C ATOM 543 O SER A 86 -9.094 68.910 17.265 1.00 15.77 O ATOM 544 CB SER A 86 -9.486 66.026 16.110 1.00 17.37 C ATOM 545 OG SER A 86 -9.022 65.163 17.128 1.00 15.29 O ATOM 546 N LYS A 87 -7.201 67.788 17.755 1.00 15.10 N ATOM 547 CA LYS A 87 -6.865 68.583 18.934 1.00 16.61 C ATOM 548 C LYS A 87 -5.345 68.598 19.098 1.00 15.30 C ATOM 549 O LYS A 87 -4.680 67.601 18.828 1.00 16.04 O ATOM 550 CB LYS A 87 -7.502 67.988 20.201 1.00 17.21 C ATOM 551 CG LYS A 87 -9.025 67.943 20.179 1.00 18.69 C ATOM 552 CD LYS A 87 -9.619 67.411 21.477 1.00 19.73 C ATOM 553 CE LYS A 87 -11.145 67.412 21.394 1.00 21.52 C ATOM 554 NZ LYS A 87 -11.819 66.976 22.657 1.00 21.48 N ATOM 555 N SER A 88 -4.807 69.752 19.482 1.00 17.23 N ATOM 556 CA SER A 88 -3.371 69.917 19.714 1.00 18.93 C ATOM 557 C SER A 88 -3.267 70.677 21.025 1.00 18.91 C ATOM 558 O SER A 88 -3.382 71.905 21.062 1.00 20.69 O ATOM 559 CB SER A 88 -2.715 70.689 18.564 1.00 19.35 C ATOM 560 OG SER A 88 -2.700 69.901 17.384 1.00 23.23 O ATOM 561 N ILE A 89 -3.113 69.915 22.104 1.00 17.35 N ATOM 562 CA ILE A 89 -3.053 70.445 23.460 1.00 16.96 C ATOM 563 C ILE A 89 -1.636 70.628 24.004 1.00 16.95 C ATOM 564 O ILE A 89 -0.966 69.657 24.357 1.00 16.44 O ATOM 565 CB ILE A 89 -3.839 69.523 24.423 1.00 17.91 C ATOM 566 CG1 ILE A 89 -5.248 69.282 23.869 1.00 18.76 C ATOM 567 CG2 ILE A 89 -3.903 70.135 25.815 1.00 17.61 C ATOM 568 CD1 ILE A 89 -6.023 68.208 24.601 1.00 18.40 C ATOM 569 N VAL A 90 -1.206 71.883 24.077 1.00 16.54 N ATOM 570 CA VAL A 90 0.113 72.229 24.603 1.00 17.57 C ATOM 571 C VAL A 90 -0.007 72.236 26.124 1.00 18.50 C ATOM 572 O VAL A 90 -1.051 72.626 26.661 1.00 17.91 O ATOM 573 CB VAL A 90 0.544 73.642 24.121 1.00 18.56 C ATOM 574 CG1 VAL A 90 1.858 74.063 24.766 1.00 19.95 C ATOM 575 CG2 VAL A 90 0.679 73.657 22.614 1.00 19.17 C ATOM 576 N HIS A 91 1.035 71.790 26.823 1.00 17.78 N ATOM 577 CA HIS A 91 0.993 71.788 28.282 1.00 17.65 C ATOM 578 C HIS A 91 0.647 73.203 28.748 1.00 18.70 C ATOM 579 O HIS A 91 1.224 74.183 28.270 1.00 18.65 O ATOM 580 CB HIS A 91 2.336 71.350 28.874 1.00 17.56 C ATOM 581 CG HIS A 91 2.263 71.014 30.330 1.00 16.37 C ATOM 582 ND1 HIS A 91 2.261 71.976 31.316 1.00 17.47 N ATOM 583 CD2 HIS A 91 2.152 69.823 30.964 1.00 17.46 C ATOM 584 CE1 HIS A 91 2.150 71.392 32.497 1.00 17.40 C ATOM 585 NE2 HIS A 91 2.082 70.086 32.312 1.00 17.01 N ATOM 586 N PRO A 92 -0.326 73.330 29.666 1.00 19.57 N ATOM 587 CA PRO A 92 -0.742 74.641 30.176 1.00 20.52 C ATOM 588 C PRO A 92 0.368 75.470 30.817 1.00 20.05 C ATOM 589 O PRO A 92 0.243 76.691 30.942 1.00 20.68 O ATOM 590 CB PRO A 92 -1.845 74.281 31.179 1.00 20.50 C ATOM 591 CG PRO A 92 -1.459 72.908 31.637 1.00 20.35 C ATOM 592 CD PRO A 92 -1.064 72.249 30.341 1.00 19.52 C ATOM 593 N SER A 93 1.465 74.813 31.188 1.00 20.65 N ATOM 594 CA SER A 93 2.586 75.500 31.816 1.00 20.63 C ATOM 595 C SER A 93 3.813 75.645 30.916 1.00 19.23 C ATOM 596 O SER A 93 4.889 76.009 31.392 1.00 17.56 O ATOM 597 CB SER A 93 2.971 74.809 33.125 1.00 22.45 C ATOM 598 OG SER A 93 1.920 74.908 34.074 1.00 26.59 O ATOM 599 N TYR A 94 3.654 75.369 29.622 1.00 17.46 N ATOM 600 CA TYR A 94 4.772 75.507 28.692 1.00 16.73 C ATOM 601 C TYR A 94 5.263 76.949 28.713 1.00 16.96 C ATOM 602 O TYR A 94 4.473 77.891 28.602 1.00 16.63 O ATOM 603 CB TYR A 94 4.366 75.120 27.264 1.00 15.16 C ATOM 604 CG TYR A 94 5.442 75.420 26.237 1.00 15.39 C ATOM 605 CD1 TYR A 94 5.201 76.303 25.183 1.00 14.79 C ATOM 606 CD2 TYR A 94 6.710 74.844 26.338 1.00 14.28 C ATOM 607 CE1 TYR A 94 6.197 76.607 24.256 1.00 15.63 C ATOM 608 CE2 TYR A 94 7.712 75.139 25.416 1.00 14.72 C ATOM 609 CZ TYR A 94 7.447 76.023 24.380 1.00 16.09 C ATOM 610 OH TYR A 94 8.437 76.327 23.474 1.00 15.64 O ATOM 611 N ASN A 95 6.569 77.111 28.893 1.00 15.71 N ATOM 612 CA ASN A 95 7.189 78.428 28.929 1.00 15.63 C ATOM 613 C ASN A 95 8.057 78.528 27.675 1.00 16.52 C ATOM 614 O ASN A 95 9.044 77.809 27.540 1.00 15.16 O ATOM 615 CB ASN A 95 8.042 78.559 30.198 1.00 16.90 C ATOM 616 CG ASN A 95 8.646 79.937 30.363 1.00 19.35 C ATOM 617 OD1 ASN A 95 9.258 80.471 29.443 1.00 20.00 O ATOM 618 ND2 ASN A 95 8.487 80.519 31.550 1.00 20.62 N ATOM 619 N SER A 96 7.665 79.402 26.752 1.00 17.06 N ATOM 620 CA SER A 96 8.390 79.581 25.495 1.00 18.45 C ATOM 621 C SER A 96 9.773 80.219 25.628 1.00 18.45 C ATOM 622 O SER A 96 10.533 80.261 24.659 1.00 18.61 O ATOM 623 CB SER A 96 7.539 80.371 24.493 1.00 17.99 C ATOM 624 OG SER A 96 7.217 81.652 24.997 1.00 21.78 O ATOM 625 N AASN A 97 10.089 80.724 26.817 0.50 18.47 N ATOM 626 N BASN A 97 10.084 80.725 26.818 0.50 18.51 N ATOM 627 CA AASN A 97 11.389 81.342 27.060 0.50 19.13 C ATOM 628 CA BASN A 97 11.375 81.356 27.079 0.50 19.18 C ATOM 629 C AASN A 97 12.370 80.330 27.648 0.50 18.55 C ATOM 630 C BASN A 97 12.370 80.351 27.661 0.50 18.58 C ATOM 631 O AASN A 97 13.458 80.125 27.107 0.50 18.35 O ATOM 632 O BASN A 97 13.473 80.186 27.140 0.50 18.40 O ATOM 633 CB AASN A 97 11.253 82.546 27.998 0.50 20.98 C ATOM 634 CB BASN A 97 11.200 82.544 28.031 0.50 21.25 C ATOM 635 CG AASN A 97 10.471 83.691 27.377 0.50 23.37 C ATOM 636 CG BASN A 97 12.518 83.199 28.403 0.50 23.34 C ATOM 637 OD1AASN A 97 10.610 83.983 26.188 0.50 24.18 O ATOM 638 OD1BASN A 97 13.267 83.656 27.539 0.50 25.12 O ATOM 639 ND2AASN A 97 9.653 84.354 28.187 0.50 24.75 N ATOM 640 ND2BASN A 97 12.806 83.249 29.699 0.50 25.54 N ATOM 641 N THR A 98 11.969 79.681 28.740 1.00 17.42 N ATOM 642 CA THR A 98 12.817 78.688 29.408 1.00 16.05 C ATOM 643 C THR A 98 12.717 77.297 28.784 1.00 14.83 C ATOM 644 O THR A 98 13.572 76.437 29.022 1.00 14.59 O ATOM 645 CB THR A 98 12.445 78.552 30.896 1.00 16.02 C ATOM 646 OG1 THR A 98 11.116 78.024 31.002 1.00 16.81 O ATOM 647 CG2 THR A 98 12.500 79.900 31.589 1.00 16.61 C ATOM 648 N LEU A 99 11.651 77.080 28.012 1.00 13.73 N ATOM 649 CA LEU A 99 11.367 75.812 27.335 1.00 13.23 C ATOM 650 C LEU A 99 10.887 74.721 28.294 1.00 13.04 C ATOM 651 O LEU A 99 10.795 73.550 27.926 1.00 13.40 O ATOM 652 CB LEU A 99 12.571 75.327 26.513 1.00 12.76 C ATOM 653 CG LEU A 99 13.183 76.370 25.571 1.00 15.86 C ATOM 654 CD1 LEU A 99 14.281 75.726 24.747 1.00 14.78 C ATOM 655 CD2 LEU A 99 12.112 76.978 24.668 1.00 15.64 C ATOM 656 N ASN A 100 10.552 75.123 29.520 1.00 12.95 N ATOM 657 CA ASN A 100 10.064 74.192 30.537 1.00 14.45 C ATOM 658 C ASN A 100 8.673 73.685 30.135 1.00 13.82 C ATOM 659 O ASN A 100 7.876 74.437 29.563 1.00 13.36 O ATOM 660 CB ASN A 100 10.000 74.907 31.896 1.00 14.56 C ATOM 661 CG ASN A 100 9.793 73.953 33.061 1.00 15.13 C ATOM 662 OD1 ASN A 100 9.190 74.317 34.075 1.00 19.69 O ATOM 663 ND2 ASN A 100 10.295 72.737 32.928 1.00 12.52 N ATOM 664 N ASN A 101 8.400 72.413 30.432 1.00 13.50 N ATOM 665 CA ASN A 101 7.124 71.763 30.118 1.00 14.54 C ATOM 666 C ASN A 101 6.888 71.688 28.611 1.00 15.04 C ATOM 667 O ASN A 101 5.776 71.932 28.128 1.00 15.25 O ATOM 668 CB ASN A 101 5.956 72.497 30.790 1.00 14.53 C ATOM 669 CG ASN A 101 6.138 72.644 32.288 1.00 14.84 C ATOM 670 OD1 ASN A 101 6.186 73.757 32.812 1.00 19.00 O ATOM 671 ND2 ASN A 101 6.238 71.525 32.981 1.00 13.55 N ATOM 672 N ASP A 102 7.941 71.341 27.875 1.00 13.21 N ATOM 673 CA ASP A 102 7.877 71.241 26.418 1.00 12.30 C ATOM 674 C ASP A 102 7.215 69.942 25.968 1.00 11.27 C ATOM 675 O ASP A 102 7.868 69.033 25.449 1.00 10.83 O ATOM 676 CB ASP A 102 9.293 71.365 25.834 1.00 10.51 C ATOM 677 CG ASP A 102 9.297 71.604 24.326 1.00 13.15 C ATOM 678 OD1 ASP A 102 8.225 71.874 23.744 1.00 11.19 O ATOM 679 OD2 ASP A 102 10.387 71.530 23.722 1.00 11.74 O ATOM 680 N ILE A 103 5.899 69.863 26.151 1.00 10.26 N ATOM 681 CA ILE A 103 5.160 68.671 25.763 1.00 11.07 C ATOM 682 C ILE A 103 3.796 69.071 25.220 1.00 11.84 C ATOM 683 O ILE A 103 3.213 70.067 25.657 1.00 11.97 O ATOM 684 CB ILE A 103 5.021 67.671 26.961 1.00 12.53 C ATOM 685 CG1 ILE A 103 4.238 66.423 26.547 1.00 12.45 C ATOM 686 CG2 ILE A 103 4.387 68.356 28.163 1.00 14.08 C ATOM 687 CD1 ILE A 103 4.291 65.298 27.583 1.00 13.14 C ATOM 688 N MET A 104 3.338 68.318 24.223 1.00 12.34 N ATOM 689 CA MET A 104 2.052 68.552 23.578 1.00 13.97 C ATOM 690 C MET A 104 1.388 67.228 23.237 1.00 13.10 C ATOM 691 O MET A 104 2.050 66.262 22.857 1.00 12.97 O ATOM 692 CB MET A 104 2.240 69.383 22.301 1.00 13.72 C ATOM 693 CG MET A 104 0.966 69.557 21.473 1.00 12.45 C ATOM 694 SD MET A 104 1.187 70.652 20.054 1.00 13.90 S ATOM 695 CE MET A 104 2.305 69.686 19.050 1.00 13.12 C ATOM 696 N LEU A 105 0.067 67.181 23.392 1.00 13.01 N ATOM 697 CA LEU A 105 -0.692 65.981 23.083 1.00 12.93 C ATOM 698 C LEU A 105 -1.582 66.275 21.885 1.00 11.55 C ATOM 699 O LEU A 105 -2.304 67.267 21.877 1.00 14.09 O ATOM 700 CB LEU A 105 -1.553 65.569 24.283 1.00 14.45 C ATOM 701 CG LEU A 105 -0.773 65.277 25.565 1.00 17.56 C ATOM 702 CD1 LEU A 105 -1.729 64.992 26.707 1.00 18.28 C ATOM 703 CD2 LEU A 105 0.155 64.099 25.345 1.00 19.05 C ATOM 704 N ILE A 106 -1.498 65.420 20.876 1.00 12.15 N ATOM 705 CA ILE A 106 -2.291 65.573 19.662 1.00 12.80 C ATOM 706 C ILE A 106 -3.301 64.445 19.528 1.00 12.02 C ATOM 707 O ILE A 106 -2.940 63.268 19.575 1.00 12.79 O ATOM 708 CB ILE A 106 -1.392 65.556 18.404 1.00 13.79 C ATOM 709 CG1 ILE A 106 -0.431 66.743 18.428 1.00 15.48 C ATOM 710 CG2 ILE A 106 -2.249 65.605 17.138 1.00 13.63 C ATOM 711 CD1 ILE A 106 0.608 66.697 17.324 1.00 16.39 C ATOM 712 N LYS A 107 -4.572 64.811 19.374 1.00 14.21 N ATOM 713 CA LYS A 107 -5.621 63.817 19.196 1.00 13.73 C ATOM 714 C LYS A 107 -5.839 63.643 17.699 1.00 13.35 C ATOM 715 O LYS A 107 -5.825 64.624 16.950 1.00 14.24 O ATOM 716 CB LYS A 107 -6.930 64.263 19.853 1.00 14.22 C ATOM 717 CG LYS A 107 -7.993 63.168 19.817 1.00 15.09 C ATOM 718 CD LYS A 107 -9.305 63.597 20.456 1.00 15.57 C ATOM 719 CE LYS A 107 -10.243 62.401 20.570 1.00 17.86 C ATOM 720 NZ LYS A 107 -11.559 62.761 21.187 1.00 17.03 N ATOM 721 N LEU A 108 -5.977 62.394 17.264 1.00 13.78 N ATOM 722 CA LEU A 108 -6.203 62.090 15.855 1.00 14.43 C ATOM 723 C LEU A 108 -7.702 62.207 15.571 1.00 16.18 C ATOM 724 O LEU A 108 -8.526 61.738 16.362 1.00 15.78 O ATOM 725 CB LEU A 108 -5.698 60.683 15.528 1.00 14.37 C ATOM 726 CG LEU A 108 -4.211 60.420 15.806 1.00 14.48 C ATOM 727 CD1 LEU A 108 -3.829 59.025 15.340 1.00 15.61 C ATOM 728 CD2 LEU A 108 -3.355 61.475 15.112 1.00 15.46 C ATOM 729 N LYS A 109 -8.049 62.847 14.456 1.00 16.39 N ATOM 730 CA LYS A 109 -9.451 63.053 14.080 1.00 17.89 C ATOM 731 C LYS A 109 -10.212 61.733 13.964 1.00 19.24 C ATOM 732 O LYS A 109 -11.415 61.673 14.236 1.00 19.88 O ATOM 733 CB LYS A 109 -9.536 63.861 12.782 1.00 17.01 C ATOM 734 CG LYS A 109 -10.880 64.531 12.546 1.00 18.92 C ATOM 735 CD LYS A 109 -10.763 65.582 11.451 1.00 19.35 C ATOM 736 CE LYS A 109 -12.111 66.202 11.116 1.00 20.45 C ATOM 737 NZ LYS A 109 -12.994 65.242 10.403 1.00 20.31 N ATOM 738 N SER A 110 -9.500 60.686 13.559 1.00 18.78 N ATOM 739 CA SER A 110 -10.051 59.341 13.443 1.00 21.39 C ATOM 740 C SER A 110 -8.989 58.401 14.008 1.00 22.27 C ATOM 741 O SER A 110 -7.792 58.681 13.912 1.00 22.21 O ATOM 742 CB SER A 110 -10.366 58.989 11.983 1.00 22.63 C ATOM 743 OG SER A 110 -9.198 58.970 11.182 1.00 24.48 O ATOM 744 N ALA A 111 -9.421 57.303 14.620 1.00 22.27 N ATOM 745 CA ALA A 111 -8.485 56.353 15.208 1.00 22.86 C ATOM 746 C ALA A 111 -7.613 55.674 14.161 1.00 22.68 C ATOM 747 O ALA A 111 -8.096 55.257 13.110 1.00 22.92 O ATOM 748 CB ALA A 111 -9.231 55.311 16.033 1.00 23.10 C ATOM 749 N ALA A 112 -6.319 55.589 14.450 1.00 22.17 N ATOM 750 CA ALA A 112 -5.368 54.952 13.549 1.00 22.10 C ATOM 751 C ALA A 112 -5.531 53.436 13.601 1.00 22.88 C ATOM 752 O ALA A 112 -5.879 52.878 14.641 1.00 23.62 O ATOM 753 CB ALA A 112 -3.940 55.335 13.937 1.00 21.66 C ATOM 754 N SER A 113 -5.311 52.781 12.466 1.00 23.25 N ATOM 755 CA SER A 113 -5.403 51.328 12.385 1.00 25.21 C ATOM 756 C SER A 113 -4.082 50.753 12.883 1.00 26.04 C ATOM 757 O SER A 113 -3.044 50.942 12.250 1.00 25.68 O ATOM 758 CB SER A 113 -5.644 50.886 10.939 1.00 26.11 C ATOM 759 OG SER A 113 -5.727 49.475 10.839 1.00 30.48 O ATOM 760 N ALEU A 114 -4.161 50.093 14.012 0.50 26.50 N ATOM 761 N BLEU A 114 -4.119 50.068 14.021 0.50 26.96 N ATOM 762 CA ALEU A 114 -2.990 49.461 14.589 0.50 28.67 C ATOM 763 CA BLEU A 114 -2.910 49.488 14.592 0.50 28.45 C ATOM 764 C ALEU A 114 -3.048 48.013 14.221 0.50 30.89 C ATOM 765 C BLEU A 114 -2.569 48.109 14.028 0.50 29.55 C ATOM 766 O ALEU A 114 -4.129 47.416 14.139 0.50 32.71 O ATOM 767 O BLEU A 114 -3.420 47.225 13.951 0.50 31.90 O ATOM 768 CB ALEU A 114 -2.957 49.551 16.111 0.50 26.87 C ATOM 769 CB BLEU A 114 -3.013 49.441 16.119 0.50 27.30 C ATOM 770 CG ALEU A 114 -3.310 50.884 16.771 0.50 25.93 C ATOM 771 CG BLEU A 114 -3.244 50.797 16.795 0.50 26.09 C ATOM 772 CD1ALEU A 114 -3.165 50.761 18.289 0.50 26.60 C ATOM 773 CD1BLEU A 114 -3.110 50.655 18.306 0.50 27.66 C ATOM 774 CD2ALEU A 114 -2.467 52.005 16.252 0.50 25.35 C ATOM 775 CD2BLEU A 114 -2.240 51.810 16.273 0.50 26.20 C HETATM 776 N AIAS A 115 -1.860 47.431 14.147 0.50 33.04 N HETATM 777 CA AIAS A 115 -1.679 46.028 13.785 0.50 35.03 C HETATM 778 C AIAS A 115 -1.401 45.172 15.039 0.50 35.22 C HETATM 779 O AIAS A 115 -1.005 43.985 14.921 0.50 36.50 O HETATM 780 CB AIAS A 115 -0.568 45.894 12.728 0.50 35.81 C HETATM 781 CG AIAS A 115 0.818 46.245 13.266 0.50 31.73 C HETATM 782 OD1AIAS A 115 0.979 47.157 14.089 0.50 33.56 O HETATM 783 OXTAIAS A 115 -1.595 45.637 16.199 0.50 37.68 O ATOM 784 N BASP A 115 -1.308 47.955 13.630 0.50 31.40 N ATOM 785 CA BASP A 115 -0.763 46.721 13.063 0.50 33.27 C ATOM 786 C BASP A 115 0.718 46.662 13.454 0.50 33.18 C ATOM 787 O BASP A 115 1.150 47.426 14.316 0.50 33.59 O ATOM 788 CB BASP A 115 -0.923 46.722 11.533 0.50 35.47 C ATOM 789 CG BASP A 115 -0.566 48.063 10.898 0.50 38.29 C ATOM 790 OD1BASP A 115 0.616 48.460 10.949 0.50 38.74 O ATOM 791 OD2BASP A 115 -1.474 48.726 10.344 0.50 38.23 O ATOM 792 N ASER A 116 1.803 45.462 12.828 0.50 33.23 N ATOM 793 N BSER A 116 1.482 45.756 12.844 0.50 34.07 N ATOM 794 CA ASER A 116 3.210 45.598 13.216 0.50 32.04 C ATOM 795 CA BSER A 116 2.913 45.623 13.141 0.50 33.52 C ATOM 796 C ASER A 116 3.842 46.927 12.829 0.50 31.62 C ATOM 797 C BSER A 116 3.711 46.875 12.756 0.50 32.45 C ATOM 798 O ASER A 116 4.790 47.391 13.472 0.50 31.58 O ATOM 799 O BSER A 116 4.670 47.247 13.439 0.50 31.75 O ATOM 800 CB ASER A 116 4.011 44.492 12.541 0.50 32.35 C ATOM 801 CB BSER A 116 3.500 44.394 12.427 0.50 33.54 C ATOM 802 OG ASER A 116 3.682 44.363 11.166 0.50 33.50 O ATOM 803 OG BSER A 116 3.405 44.507 11.013 0.50 34.94 O ATOM 804 N AARG A 117 3.385 47.468 11.707 0.50 30.21 N ATOM 805 N BARG A 117 3.298 47.522 11.669 0.50 30.18 N ATOM 806 CA AARG A 117 3.932 48.705 11.177 0.50 28.87 C ATOM 807 CA BARG A 117 3.966 48.724 11.170 0.50 29.21 C ATOM 808 C AARG A 117 3.502 49.999 11.858 0.50 26.89 C ATOM 809 C BARG A 117 3.533 50.024 11.850 0.50 27.38 C ATOM 810 O AARG A 117 4.200 51.006 11.756 0.50 25.85 O ATOM 811 O BARG A 117 4.220 51.040 11.747 0.50 26.63 O ATOM 812 CB AARG A 117 3.688 48.768 9.673 0.50 30.24 C ATOM 813 CB BARG A 117 3.786 48.829 9.657 0.50 31.02 C ATOM 814 CG AARG A 117 4.360 47.637 8.915 0.50 33.38 C ATOM 815 CG BARG A 117 4.362 47.646 8.902 0.50 34.14 C ATOM 816 CD AARG A 117 4.200 47.809 7.424 0.50 36.35 C ATOM 817 CD BARG A 117 4.189 47.810 7.410 0.50 36.88 C ATOM 818 NE AARG A 117 4.813 46.717 6.671 0.50 39.44 N ATOM 819 NE BARG A 117 4.807 46.715 6.667 0.50 39.69 N ATOM 820 CZ AARG A 117 4.324 45.482 6.603 0.50 41.61 C ATOM 821 CZ BARG A 117 4.321 45.479 6.603 0.50 41.69 C ATOM 822 NH1AARG A 117 3.204 45.170 7.244 0.50 42.30 N ATOM 823 NH1BARG A 117 3.196 45.165 7.237 0.50 42.37 N ATOM 824 NH2AARG A 117 4.963 44.552 5.904 0.50 42.19 N ATOM 825 NH2BARG A 117 4.965 44.549 5.909 0.50 42.18 N ATOM 826 N VAL A 118 2.368 50.001 12.493 1.00 24.11 N ATOM 827 CA VAL A 118 1.843 51.157 13.215 1.00 22.39 C ATOM 828 C VAL A 118 1.427 50.652 14.588 1.00 22.69 C ATOM 829 O VAL A 118 0.459 49.899 14.720 1.00 23.86 O ATOM 830 CB VAL A 118 0.617 51.791 12.509 1.00 21.47 C ATOM 831 CG1 VAL A 118 0.057 52.932 13.352 1.00 20.77 C ATOM 832 CG2 VAL A 118 1.008 52.314 11.137 1.00 21.13 C ATOM 833 N ALA A 119 2.177 51.052 15.608 1.00 21.49 N ATOM 834 CA ALA A 119 1.900 50.616 16.969 1.00 19.90 C ATOM 835 C ALA A 119 2.205 51.700 17.988 1.00 19.03 C ATOM 836 O ALA A 119 2.987 52.615 17.731 1.00 19.56 O ATOM 837 CB ALA A 119 2.704 49.362 17.282 1.00 20.10 C ATOM 838 N SER A 120 1.579 51.589 19.152 1.00 18.05 N ATOM 839 CA SER A 120 1.780 52.552 20.222 1.00 16.73 C ATOM 840 C SER A 120 2.982 52.187 21.091 1.00 16.70 C ATOM 841 O SER A 120 3.442 51.042 21.085 1.00 18.10 O ATOM 842 CB SER A 120 0.526 52.633 21.091 1.00 17.95 C ATOM 843 OG SER A 120 0.201 51.360 21.625 1.00 19.84 O ATOM 844 N ILE A 121 3.496 53.175 21.816 1.00 15.59 N ATOM 845 CA ILE A 121 4.620 52.970 22.722 1.00 16.23 C ATOM 846 C ILE A 121 4.113 53.248 24.138 1.00 16.00 C ATOM 847 O ILE A 121 3.324 54.172 24.358 1.00 15.94 O ATOM 848 CB ILE A 121 5.819 53.905 22.378 1.00 15.72 C ATOM 849 CG1 ILE A 121 7.038 53.556 23.238 1.00 17.38 C ATOM 850 CG2 ILE A 121 5.430 55.365 22.542 1.00 17.28 C ATOM 851 CD1 ILE A 121 7.662 52.220 22.895 1.00 19.56 C ATOM 852 N SER A 122 4.540 52.423 25.089 1.00 16.50 N ATOM 853 CA SER A 122 4.121 52.576 26.475 1.00 17.98 C ATOM 854 C SER A 122 4.751 53.768 27.175 1.00 17.61 C ATOM 855 O SER A 122 5.883 54.156 26.871 1.00 16.50 O ATOM 856 CB SER A 122 4.459 51.312 27.275 1.00 19.23 C ATOM 857 OG SER A 122 3.853 50.165 26.709 1.00 23.63 O ATOM 858 N LEU A 123 3.992 54.359 28.095 1.00 17.53 N ATOM 859 CA LEU A 123 4.471 55.472 28.897 1.00 18.59 C ATOM 860 C LEU A 123 5.265 54.841 30.037 1.00 20.22 C ATOM 861 O LEU A 123 5.026 53.685 30.404 1.00 21.09 O ATOM 862 CB LEU A 123 3.300 56.279 29.465 1.00 18.70 C ATOM 863 CG LEU A 123 2.502 57.108 28.455 1.00 19.84 C ATOM 864 CD1 LEU A 123 1.333 57.774 29.151 1.00 19.50 C ATOM 865 CD2 LEU A 123 3.404 58.151 27.802 1.00 20.26 C ATOM 866 N PRO A 124 6.221 55.584 30.608 1.00 20.54 N ATOM 867 CA PRO A 124 7.022 55.036 31.706 1.00 21.94 C ATOM 868 C PRO A 124 6.268 54.885 33.020 1.00 23.32 C ATOM 869 O PRO A 124 5.306 55.609 33.287 1.00 22.66 O ATOM 870 CB PRO A 124 8.158 56.045 31.829 1.00 22.89 C ATOM 871 CG PRO A 124 7.511 57.333 31.444 1.00 22.89 C ATOM 872 CD PRO A 124 6.665 56.943 30.253 1.00 20.41 C ATOM 873 N THR A 125 6.684 53.897 33.807 1.00 24.76 N ATOM 874 CA THR A 125 6.098 53.642 35.119 1.00 25.90 C ATOM 875 C THR A 125 6.985 54.324 36.164 1.00 25.57 C ATOM 876 O THR A 125 6.537 54.657 37.262 1.00 26.15 O ATOM 877 CB THR A 125 5.997 52.127 35.410 1.00 27.20 C ATOM 878 OG1 THR A 125 7.269 51.505 35.187 1.00 30.99 O ATOM 879 CG2 THR A 125 4.963 51.482 34.504 1.00 28.33 C ATOM 880 N SER A 127 8.243 54.546 35.789 1.00 23.82 N ATOM 881 CA SER A 127 9.225 55.211 36.639 1.00 23.02 C ATOM 882 C SER A 127 10.252 55.883 35.730 1.00 21.37 C ATOM 883 O SER A 127 10.381 55.522 34.559 1.00 21.74 O ATOM 884 CB SER A 127 9.927 54.202 37.560 1.00 23.75 C ATOM 885 OG SER A 127 10.688 53.263 36.821 1.00 27.34 O ATOM 886 N CYS A 128 10.965 56.865 36.269 1.00 20.03 N ATOM 887 CA CYS A 128 11.987 57.578 35.509 1.00 19.69 C ATOM 888 C CYS A 128 13.207 56.701 35.253 1.00 21.98 C ATOM 889 O CYS A 128 13.466 55.741 35.985 1.00 22.13 O ATOM 890 CB CYS A 128 12.409 58.845 36.245 1.00 19.27 C ATOM 891 SG CYS A 128 11.052 60.029 36.479 1.00 18.84 S ATOM 892 N ALA A 129 13.939 57.020 34.191 1.00 21.35 N ATOM 893 CA ALA A 129 15.133 56.268 33.839 1.00 21.38 C ATOM 894 C ALA A 129 16.353 56.895 34.501 1.00 21.79 C ATOM 895 O ALA A 129 16.369 58.087 34.805 1.00 22.75 O ATOM 896 CB ALA A 129 15.304 56.222 32.332 1.00 21.31 C ATOM 897 N SER A 130 17.364 56.073 34.752 1.00 22.10 N ATOM 898 CA SER A 130 18.584 56.542 35.392 1.00 22.38 C ATOM 899 C SER A 130 19.687 56.844 34.384 1.00 21.03 C ATOM 900 O SER A 130 19.675 56.337 33.260 1.00 19.50 O ATOM 901 CB SER A 130 19.075 55.494 36.392 1.00 23.78 C ATOM 902 OG SER A 130 19.254 54.239 35.757 1.00 28.60 O ATOM 903 N ALA A 132 20.643 57.669 34.803 1.00 20.47 N ATOM 904 CA ALA A 132 21.778 58.026 33.960 1.00 20.33 C ATOM 905 C ALA A 132 22.483 56.749 33.510 1.00 20.36 C ATOM 906 O ALA A 132 22.620 55.795 34.286 1.00 21.52 O ATOM 907 CB ALA A 132 22.738 58.919 34.730 1.00 20.99 C ATOM 908 N GLY A 133 22.890 56.715 32.246 1.00 18.74 N ATOM 909 CA GLY A 133 23.566 55.546 31.717 1.00 18.68 C ATOM 910 C GLY A 133 22.661 54.607 30.945 1.00 18.33 C ATOM 911 O GLY A 133 23.143 53.757 30.194 1.00 19.32 O ATOM 912 N THR A 134 21.350 54.756 31.129 1.00 19.18 N ATOM 913 CA THR A 134 20.371 53.921 30.433 1.00 19.54 C ATOM 914 C THR A 134 20.430 54.185 28.932 1.00 19.34 C ATOM 915 O THR A 134 20.344 55.335 28.503 1.00 18.23 O ATOM 916 CB THR A 134 18.931 54.226 30.913 1.00 20.33 C ATOM 917 OG1 THR A 134 18.829 53.987 32.322 1.00 22.48 O ATOM 918 CG2 THR A 134 17.920 53.349 30.179 1.00 21.64 C ATOM 919 N AGLN A 135 20.602 53.126 28.146 0.50 19.35 N ATOM 920 N BGLN A 135 20.593 53.121 28.150 0.50 19.67 N ATOM 921 CA AGLN A 135 20.669 53.252 26.691 0.50 19.55 C ATOM 922 CA BGLN A 135 20.649 53.229 26.695 0.50 20.14 C ATOM 923 C AGLN A 135 19.259 53.389 26.124 0.50 19.10 C ATOM 924 C BGLN A 135 19.245 53.389 26.128 0.50 19.47 C ATOM 925 O AGLN A 135 18.349 52.650 26.507 0.50 19.37 O ATOM 926 O BGLN A 135 18.325 52.663 26.511 0.50 19.66 O ATOM 927 CB AGLN A 135 21.375 52.039 26.072 0.50 20.67 C ATOM 928 CB BGLN A 135 21.315 51.995 26.083 0.50 22.00 C ATOM 929 CG AGLN A 135 21.792 52.218 24.609 0.50 21.97 C ATOM 930 CG BGLN A 135 22.831 51.971 26.207 0.50 24.37 C ATOM 931 CD AGLN A 135 22.984 53.154 24.428 0.50 22.60 C ATOM 932 CD BGLN A 135 23.498 53.087 25.424 0.50 26.43 C ATOM 933 OE1AGLN A 135 23.217 54.055 25.236 0.50 22.60 O ATOM 934 OE1BGLN A 135 23.874 54.114 25.986 0.50 27.28 O ATOM 935 NE2AGLN A 135 23.747 52.937 23.361 0.50 24.07 N ATOM 936 NE2BGLN A 135 23.641 52.893 24.118 0.50 27.80 N ATOM 937 N CYS A 136 19.086 54.344 25.218 1.00 17.67 N ATOM 938 CA CYS A 136 17.788 54.603 24.606 1.00 16.99 C ATOM 939 C CYS A 136 17.880 54.704 23.090 1.00 16.31 C ATOM 940 O CYS A 136 18.972 54.802 22.531 1.00 15.51 O ATOM 941 CB CYS A 136 17.220 55.906 25.162 1.00 16.24 C ATOM 942 SG CYS A 136 17.204 55.992 26.977 1.00 17.45 S ATOM 943 N LEU A 137 16.722 54.649 22.434 1.00 14.96 N ATOM 944 CA LEU A 137 16.646 54.755 20.983 1.00 14.66 C ATOM 945 C LEU A 137 15.972 56.074 20.626 1.00 14.60 C ATOM 946 O LEU A 137 14.837 56.338 21.036 1.00 13.66 O ATOM 947 CB LEU A 137 15.852 53.587 20.386 1.00 15.47 C ATOM 948 CG LEU A 137 15.638 53.611 18.867 1.00 16.95 C ATOM 949 CD1 LEU A 137 16.964 53.445 18.136 1.00 17.46 C ATOM 950 CD2 LEU A 137 14.668 52.511 18.461 1.00 16.58 C ATOM 951 N ILE A 138 16.702 56.916 19.901 1.00 13.83 N ATOM 952 CA ILE A 138 16.204 58.216 19.468 1.00 13.46 C ATOM 953 C ILE A 138 16.055 58.128 17.951 1.00 13.97 C ATOM 954 O ILE A 138 16.935 57.597 17.268 1.00 14.08 O ATOM 955 CB ILE A 138 17.201 59.348 19.846 1.00 13.50 C ATOM 956 CG1 ILE A 138 17.522 59.283 21.345 1.00 13.49 C ATOM 957 CG2 ILE A 138 16.611 60.716 19.498 1.00 13.67 C ATOM 958 CD1 ILE A 138 18.488 60.340 21.826 1.00 13.83 C ATOM 959 N SER A 139 14.933 58.611 17.423 1.00 12.75 N ATOM 960 CA SER A 139 14.705 58.536 15.986 1.00 12.00 C ATOM 961 C SER A 139 14.049 59.779 15.392 1.00 12.19 C ATOM 962 O SER A 139 13.481 60.604 16.110 1.00 11.66 O ATOM 963 CB SER A 139 13.876 57.287 15.650 1.00 13.51 C ATOM 964 OG SER A 139 12.691 57.228 16.439 1.00 12.99 O ATOM 965 N GLY A 140 14.157 59.914 14.072 1.00 12.45 N ATOM 966 CA GLY A 140 13.560 61.055 13.399 1.00 12.36 C ATOM 967 C GLY A 140 14.050 61.287 11.980 1.00 12.86 C ATOM 968 O GLY A 140 14.980 60.628 11.512 1.00 12.91 O ATOM 969 N TRP A 141 13.415 62.242 11.305 1.00 11.90 N ATOM 970 CA TRP A 141 13.751 62.607 9.927 1.00 11.46 C ATOM 971 C TRP A 141 14.462 63.957 9.882 1.00 12.10 C ATOM 972 O TRP A 141 14.427 64.661 8.867 1.00 12.77 O ATOM 973 CB TRP A 141 12.479 62.676 9.075 1.00 12.31 C ATOM 974 CG TRP A 141 11.881 61.348 8.760 1.00 13.31 C ATOM 975 CD1 TRP A 141 12.254 60.497 7.759 1.00 12.76 C ATOM 976 CD2 TRP A 141 10.780 60.722 9.429 1.00 13.03 C ATOM 977 NE1 TRP A 141 11.454 59.381 7.761 1.00 14.79 N ATOM 978 CE2 TRP A 141 10.540 59.492 8.777 1.00 13.89 C ATOM 979 CE3 TRP A 141 9.971 61.081 10.516 1.00 13.22 C ATOM 980 CZ2 TRP A 141 9.523 58.617 9.173 1.00 13.16 C ATOM 981 CZ3 TRP A 141 8.957 60.207 10.910 1.00 13.12 C ATOM 982 CH2 TRP A 141 8.745 58.992 10.238 1.00 12.94 C ATOM 983 N GLY A 142 15.106 64.317 10.989 1.00 10.43 N ATOM 984 CA GLY A 142 15.812 65.582 11.067 1.00 10.02 C ATOM 985 C GLY A 142 17.156 65.601 10.364 1.00 9.53 C ATOM 986 O GLY A 142 17.592 64.598 9.785 1.00 11.68 O ATOM 987 N ASN A 143 17.802 66.761 10.422 1.00 11.14 N ATOM 988 CA ASN A 143 19.111 66.994 9.807 1.00 11.84 C ATOM 989 C ASN A 143 20.107 65.918 10.244 1.00 13.49 C ATOM 990 O ASN A 143 20.140 65.538 11.416 1.00 13.71 O ATOM 991 CB ASN A 143 19.602 68.384 10.228 1.00 11.98 C ATOM 992 CG ASN A 143 20.784 68.879 9.410 1.00 11.40 C ATOM 993 OD1 ASN A 143 21.295 68.186 8.529 1.00 12.32 O ATOM 994 ND2 ASN A 143 21.221 70.096 9.706 1.00 13.24 N ATOM 995 N THR A 144 20.894 65.414 9.296 1.00 13.94 N ATOM 996 CA THR A 144 21.892 64.386 9.592 1.00 15.10 C ATOM 997 C THR A 144 23.314 64.942 9.670 1.00 17.00 C ATOM 998 O THR A 144 24.269 64.180 9.843 1.00 16.32 O ATOM 999 CB THR A 144 21.866 63.239 8.558 1.00 15.47 C ATOM 1000 OG1 THR A 144 22.138 63.761 7.250 1.00 16.47 O ATOM 1001 CG2 THR A 144 20.511 62.537 8.566 1.00 15.34 C ATOM 1002 N LYS A 145 23.449 66.262 9.553 1.00 16.98 N ATOM 1003 CA LYS A 145 24.760 66.915 9.614 1.00 19.08 C ATOM 1004 C LYS A 145 24.908 67.869 10.795 1.00 21.42 C ATOM 1005 O LYS A 145 23.985 68.626 11.120 1.00 21.50 O ATOM 1006 CB LYS A 145 25.042 67.668 8.311 1.00 18.95 C ATOM 1007 CG LYS A 145 25.134 66.769 7.089 1.00 20.48 C ATOM 1008 N SER A 146 26.074 67.824 11.436 1.00 23.34 N ATOM 1009 CA SER A 146 26.374 68.688 12.578 1.00 25.61 C ATOM 1010 C SER A 146 26.717 70.088 12.074 1.00 26.74 C ATOM 1011 O SER A 146 26.545 71.081 12.780 1.00 26.93 O ATOM 1012 CB SER A 146 27.543 68.119 13.387 1.00 26.35 C ATOM 1013 OG SER A 146 28.696 67.959 12.578 1.00 28.60 O ATOM 1014 N SER A 147 27.238 70.141 10.853 1.00 27.20 N ATOM 1015 CA SER A 147 27.592 71.390 10.201 1.00 28.68 C ATOM 1016 C SER A 147 27.052 71.267 8.787 1.00 28.45 C ATOM 1017 O SER A 147 27.492 70.417 8.012 1.00 30.59 O ATOM 1018 CB SER A 147 29.108 71.582 10.162 1.00 29.95 C ATOM 1019 OG SER A 147 29.433 72.828 9.568 1.00 33.19 O ATOM 1020 N GLY A 148 26.085 72.109 8.458 1.00 27.88 N ATOM 1021 CA GLY A 148 25.495 72.043 7.139 1.00 25.79 C ATOM 1022 C GLY A 148 24.084 71.505 7.253 1.00 25.76 C ATOM 1023 O GLY A 148 23.561 71.331 8.363 1.00 23.88 O ATOM 1024 N ATHR A 149 23.494 71.183 6.109 0.50 24.76 N ATOM 1025 N BTHR A 149 23.466 71.212 6.112 0.50 24.45 N ATOM 1026 CA ATHR A 149 22.129 70.694 6.075 0.50 24.75 C ATOM 1027 CA BTHR A 149 22.099 70.700 6.091 0.50 24.16 C ATOM 1028 C ATHR A 149 21.913 69.539 5.101 0.50 24.12 C ATOM 1029 C BTHR A 149 21.889 69.554 5.106 0.50 23.78 C ATOM 1030 O ATHR A 149 22.286 69.618 3.930 0.50 24.39 O ATOM 1031 O BTHR A 149 22.252 69.650 3.933 0.50 24.08 O ATOM 1032 CB ATHR A 149 21.174 71.842 5.712 0.50 25.26 C ATOM 1033 CB BTHR A 149 21.085 71.814 5.747 0.50 24.23 C ATOM 1034 OG1ATHR A 149 21.215 72.843 6.735 0.50 26.73 O ATOM 1035 OG1BTHR A 149 21.484 72.467 4.536 0.50 24.74 O ATOM 1036 CG2ATHR A 149 19.774 71.337 5.568 0.50 26.50 C ATOM 1037 CG2BTHR A 149 20.994 72.835 6.871 0.50 25.00 C ATOM 1038 N SER A 150 21.283 68.477 5.598 1.00 22.44 N ATOM 1039 CA SER A 150 20.983 67.300 4.790 1.00 21.34 C ATOM 1040 C SER A 150 19.865 66.532 5.482 1.00 19.76 C ATOM 1041 O SER A 150 20.052 66.000 6.577 1.00 20.16 O ATOM 1042 CB SER A 150 22.210 66.402 4.630 1.00 21.52 C ATOM 1043 OG SER A 150 21.897 65.278 3.823 1.00 22.89 O ATOM 1044 N ATYR A 151 18.696 66.502 4.848 0.50 18.73 N ATOM 1045 N BTYR A 151 18.697 66.503 4.849 0.50 18.84 N ATOM 1046 CA ATYR A 151 17.538 65.803 5.395 0.50 17.59 C ATOM 1047 CA BTYR A 151 17.538 65.812 5.397 0.50 17.84 C ATOM 1048 C ATYR A 151 17.327 64.480 4.676 0.50 17.90 C ATOM 1049 C BTYR A 151 17.313 64.487 4.677 0.50 18.02 C ATOM 1050 O ATYR A 151 17.283 64.425 3.445 0.50 18.50 O ATOM 1051 O BTYR A 151 17.247 64.437 3.446 0.50 18.63 O ATOM 1052 CB ATYR A 151 16.283 66.669 5.276 0.50 17.01 C ATOM 1053 CB BTYR A 151 16.311 66.722 5.321 0.50 17.49 C ATOM 1054 CG ATYR A 151 16.468 68.047 5.849 0.50 15.21 C ATOM 1055 CG BTYR A 151 16.502 67.990 6.121 0.50 16.50 C ATOM 1056 CD1ATYR A 151 16.612 68.240 7.224 0.50 15.18 C ATOM 1057 CD1BTYR A 151 16.175 68.035 7.475 0.50 16.61 C ATOM 1058 CD2ATYR A 151 16.543 69.157 5.015 0.50 16.64 C ATOM 1059 CD2BTYR A 151 17.061 69.130 5.540 0.50 16.99 C ATOM 1060 CE1ATYR A 151 16.834 69.505 7.751 0.50 14.07 C ATOM 1061 CE1BTYR A 151 16.401 69.176 8.230 0.50 16.79 C ATOM 1062 CE2ATYR A 151 16.761 70.421 5.529 0.50 15.48 C ATOM 1063 CE2BTYR A 151 17.292 70.278 6.289 0.50 17.85 C ATOM 1064 CZ ATYR A 151 16.910 70.592 6.896 0.50 15.95 C ATOM 1065 CZ BTYR A 151 16.959 70.292 7.635 0.50 18.16 C ATOM 1066 OH ATYR A 151 17.163 71.844 7.398 0.50 14.17 O ATOM 1067 OH BTYR A 151 17.188 71.416 8.389 0.50 20.63 O ATOM 1068 N PRO A 152 17.198 63.389 5.443 1.00 17.20 N ATOM 1069 CA PRO A 152 16.992 62.045 4.903 1.00 17.19 C ATOM 1070 C PRO A 152 15.592 61.757 4.386 1.00 17.39 C ATOM 1071 O PRO A 152 14.630 62.431 4.746 1.00 19.28 O ATOM 1072 CB PRO A 152 17.311 61.161 6.102 1.00 16.81 C ATOM 1073 CG PRO A 152 16.734 61.959 7.231 1.00 16.39 C ATOM 1074 CD PRO A 152 17.200 63.364 6.920 1.00 16.41 C ATOM 1075 N ASP A 153 15.501 60.757 3.516 1.00 18.85 N ATOM 1076 CA ASP A 153 14.223 60.324 2.979 1.00 19.53 C ATOM 1077 C ASP A 153 13.648 59.336 3.989 1.00 19.52 C ATOM 1078 O ASP A 153 12.496 59.457 4.396 1.00 19.55 O ATOM 1079 CB ASP A 153 14.404 59.623 1.626 1.00 22.06 C ATOM 1080 CG ASP A 153 14.850 60.573 0.526 1.00 24.53 C ATOM 1081 OD1 ASP A 153 14.339 61.710 0.472 1.00 25.64 O ATOM 1082 OD2 ASP A 153 15.704 60.176 -0.294 1.00 28.15 O ATOM 1083 N VAL A 154 14.481 58.390 4.421 1.00 18.59 N ATOM 1084 CA VAL A 154 14.062 57.365 5.376 1.00 17.46 C ATOM 1085 C VAL A 154 14.359 57.709 6.836 1.00 16.36 C ATOM 1086 O VAL A 154 15.209 58.552 7.136 1.00 16.68 O ATOM 1087 CB VAL A 154 14.657 55.976 5.026 1.00 17.96 C ATOM 1088 CG1 VAL A 154 14.260 55.574 3.607 1.00 18.78 C ATOM 1089 CG2 VAL A 154 16.165 55.975 5.187 1.00 17.58 C ATOM 1090 N LEU A 155 13.659 57.030 7.741 1.00 16.02 N ATOM 1091 CA LEU A 155 13.808 57.261 9.175 1.00 15.46 C ATOM 1092 C LEU A 155 15.191 56.876 9.690 1.00 15.24 C ATOM 1093 O LEU A 155 15.701 55.800 9.372 1.00 16.18 O ATOM 1094 CB LEU A 155 12.737 56.482 9.949 1.00 15.32 C ATOM 1095 CG LEU A 155 12.633 56.755 11.455 1.00 15.12 C ATOM 1096 CD1 LEU A 155 12.259 58.211 11.701 1.00 13.70 C ATOM 1097 CD2 LEU A 155 11.602 55.832 12.081 1.00 15.93 C ATOM 1098 N LYS A 156 15.785 57.768 10.479 1.00 13.62 N ATOM 1099 CA LYS A 156 17.104 57.534 11.064 1.00 14.83 C ATOM 1100 C LYS A 156 16.981 57.200 12.547 1.00 14.82 C ATOM 1101 O LYS A 156 16.072 57.669 13.235 1.00 14.32 O ATOM 1102 CB LYS A 156 18.011 58.749 10.866 1.00 13.38 C ATOM 1103 CG LYS A 156 18.279 59.083 9.404 1.00 15.67 C ATOM 1104 CD LYS A 156 18.988 57.946 8.688 1.00 18.27 C ATOM 1105 CE LYS A 156 19.174 58.269 7.213 1.00 20.91 C ATOM 1106 NZ LYS A 156 19.925 57.202 6.490 1.00 22.47 N ATOM 1107 N CYS A 157 17.916 56.389 13.028 1.00 15.26 N ATOM 1108 CA CYS A 157 17.939 55.935 14.412 1.00 15.27 C ATOM 1109 C CYS A 157 19.277 56.208 15.082 1.00 16.34 C ATOM 1110 O CYS A 157 20.309 56.294 14.417 1.00 16.02 O ATOM 1111 CB CYS A 157 17.665 54.432 14.450 1.00 14.80 C ATOM 1112 SG CYS A 157 15.908 53.958 14.384 1.00 15.84 S ATOM 1113 N LEU A 158 19.250 56.308 16.407 1.00 14.61 N ATOM 1114 CA LEU A 158 20.454 56.558 17.190 1.00 15.04 C ATOM 1115 C LEU A 158 20.335 55.976 18.589 1.00 14.85 C ATOM 1116 O LEU A 158 19.337 56.190 19.277 1.00 14.38 O ATOM 1117 CB LEU A 158 20.713 58.064 17.311 1.00 14.72 C ATOM 1118 CG LEU A 158 21.873 58.501 18.214 1.00 15.45 C ATOM 1119 CD1 LEU A 158 23.199 58.062 17.601 1.00 16.46 C ATOM 1120 CD2 LEU A 158 21.851 60.007 18.411 1.00 15.98 C ATOM 1121 N LYS A 159 21.345 55.210 18.990 1.00 15.56 N ATOM 1122 CA LYS A 159 21.387 54.652 20.336 1.00 16.56 C ATOM 1123 C LYS A 159 22.222 55.648 21.137 1.00 16.17 C ATOM 1124 O LYS A 159 23.321 56.024 20.718 1.00 16.84 O ATOM 1125 CB LYS A 159 22.065 53.281 20.347 1.00 18.89 C ATOM 1126 CG LYS A 159 21.311 52.193 19.603 1.00 23.21 C ATOM 1127 CD LYS A 159 19.943 51.947 20.211 1.00 25.40 C ATOM 1128 CE LYS A 159 19.280 50.731 19.582 1.00 28.64 C ATOM 1129 NZ LYS A 159 20.101 49.499 19.780 1.00 31.16 N ATOM 1130 N ALA A 160 21.686 56.110 22.260 1.00 15.20 N ATOM 1131 CA ALA A 160 22.383 57.078 23.097 1.00 15.28 C ATOM 1132 C ALA A 160 21.974 56.922 24.553 1.00 15.63 C ATOM 1133 O ALA A 160 20.828 56.577 24.858 1.00 16.32 O ATOM 1134 CB ALA A 160 22.096 58.500 22.620 1.00 15.70 C ATOM 1135 N PRO A 161 22.912 57.164 25.479 1.00 15.43 N ATOM 1136 CA PRO A 161 22.618 57.041 26.905 1.00 15.01 C ATOM 1137 C PRO A 161 22.070 58.302 27.545 1.00 14.60 C ATOM 1138 O PRO A 161 22.374 59.423 27.125 1.00 14.39 O ATOM 1139 CB PRO A 161 23.987 56.722 27.494 1.00 14.27 C ATOM 1140 CG PRO A 161 24.876 57.616 26.671 1.00 15.02 C ATOM 1141 CD PRO A 161 24.358 57.371 25.260 1.00 14.14 C ATOM 1142 N ILE A 162 21.243 58.110 28.565 1.00 14.97 N ATOM 1143 CA ILE A 162 20.713 59.226 29.322 1.00 15.18 C ATOM 1144 C ILE A 162 21.901 59.692 30.167 1.00 15.16 C ATOM 1145 O ILE A 162 22.692 58.870 30.642 1.00 16.28 O ATOM 1146 CB ILE A 162 19.556 58.776 30.237 1.00 16.93 C ATOM 1147 CG1 ILE A 162 18.331 58.437 29.380 1.00 19.10 C ATOM 1148 CG2 ILE A 162 19.237 59.854 31.266 1.00 15.95 C ATOM 1149 CD1 ILE A 162 17.143 57.961 30.172 1.00 21.70 C ATOM 1150 N LEU A 163 22.075 61.002 30.282 1.00 15.15 N ATOM 1151 CA LEU A 163 23.176 61.550 31.067 1.00 16.44 C ATOM 1152 C LEU A 163 22.695 62.078 32.409 1.00 17.20 C ATOM 1153 O LEU A 163 21.507 62.335 32.597 1.00 16.99 O ATOM 1154 CB LEU A 163 23.902 62.647 30.281 1.00 15.56 C ATOM 1155 CG LEU A 163 24.419 62.219 28.904 1.00 15.74 C ATOM 1156 CD1 LEU A 163 25.102 63.396 28.229 1.00 16.84 C ATOM 1157 CD2 LEU A 163 25.382 61.044 29.027 1.00 17.88 C ATOM 1158 N SER A 164 23.623 62.215 33.351 1.00 16.33 N ATOM 1159 CA SER A 164 23.304 62.701 34.686 1.00 18.09 C ATOM 1160 C SER A 164 22.850 64.153 34.669 1.00 18.78 C ATOM 1161 O SER A 164 23.247 64.929 33.798 1.00 17.09 O ATOM 1162 CB SER A 164 24.533 62.591 35.588 1.00 17.58 C ATOM 1163 OG SER A 164 25.500 63.567 35.233 1.00 17.98 O ATOM 1164 N AASP A 165 22.020 64.504 35.645 0.50 19.34 N ATOM 1165 N BASP A 165 22.029 64.529 35.644 0.50 19.26 N ATOM 1166 CA AASP A 165 21.505 65.857 35.782 0.50 20.24 C ATOM 1167 CA BASP A 165 21.552 65.904 35.737 0.50 20.10 C ATOM 1168 C AASP A 165 22.662 66.825 36.022 0.50 20.68 C ATOM 1169 C BASP A 165 22.708 66.856 36.012 0.50 20.46 C ATOM 1170 O AASP A 165 22.655 67.950 35.524 0.50 20.15 O ATOM 1171 O BASP A 165 22.710 67.994 35.543 0.50 19.77 O ATOM 1172 CB AASP A 165 20.509 65.914 36.945 0.50 21.62 C ATOM 1173 CB BASP A 165 20.486 66.037 36.829 0.50 21.51 C ATOM 1174 CG AASP A 165 19.915 67.292 37.142 0.50 22.19 C ATOM 1175 CG BASP A 165 19.165 65.410 36.431 0.50 22.48 C ATOM 1176 OD1AASP A 165 19.436 67.889 36.152 0.50 23.17 O ATOM 1177 OD1BASP A 165 18.907 65.289 35.213 0.50 22.11 O ATOM 1178 OD2AASP A 165 19.922 67.777 38.292 0.50 23.27 O ATOM 1179 OD2BASP A 165 18.381 65.042 37.331 0.50 23.50 O ATOM 1180 N ASER A 166 23.667 66.364 36.763 0.50 20.21 N ATOM 1181 N BSER A 166 23.702 66.371 36.752 0.50 19.91 N ATOM 1182 CA ASER A 166 24.838 67.178 37.066 0.50 20.43 C ATOM 1183 CA BSER A 166 24.872 67.174 37.082 0.50 20.16 C ATOM 1184 C ASER A 166 25.611 67.542 35.800 0.50 19.73 C ATOM 1185 C BSER A 166 25.653 67.534 35.821 0.50 19.54 C ATOM 1186 O ASER A 166 25.994 68.696 35.616 0.50 19.85 O ATOM 1187 O BSER A 166 26.064 68.681 35.650 0.50 19.67 O ATOM 1188 CB ASER A 166 25.760 66.448 38.047 0.50 20.66 C ATOM 1189 CB BSER A 166 25.774 66.431 38.076 0.50 20.13 C ATOM 1190 OG ASER A 166 26.887 67.244 38.369 0.50 23.69 O ATOM 1191 OG BSER A 166 26.248 65.207 37.540 0.50 22.70 O ATOM 1192 N SER A 167 25.833 66.558 34.932 1.00 18.97 N ATOM 1193 CA SER A 167 26.561 66.790 33.681 1.00 19.45 C ATOM 1194 C SER A 167 25.734 67.658 32.736 1.00 18.22 C ATOM 1195 O SER A 167 26.275 68.503 32.028 1.00 16.92 O ATOM 1196 CB SER A 167 26.940 65.472 32.997 1.00 20.28 C ATOM 1197 OG SER A 167 25.837 64.866 32.344 1.00 21.42 O ATOM 1198 N CYS A 168 24.418 67.463 32.759 1.00 17.92 N ATOM 1199 CA CYS A 168 23.510 68.235 31.912 1.00 17.78 C ATOM 1200 C CYS A 168 23.548 69.711 32.304 1.00 17.65 C ATOM 1201 O CYS A 168 23.624 70.591 31.446 1.00 18.50 O ATOM 1202 CB CYS A 168 22.089 67.682 32.041 1.00 15.71 C ATOM 1203 SG CYS A 168 20.915 68.288 30.780 1.00 15.33 S ATOM 1204 N LYS A 169 23.510 69.977 33.607 1.00 17.62 N ATOM 1205 CA LYS A 169 23.557 71.344 34.108 1.00 18.83 C ATOM 1206 C LYS A 169 24.908 71.998 33.845 1.00 19.59 C ATOM 1207 O LYS A 169 24.987 73.210 33.630 1.00 19.94 O ATOM 1208 CB LYS A 169 23.229 71.383 35.598 1.00 19.59 C ATOM 1209 CG LYS A 169 21.793 71.017 35.888 1.00 22.40 C ATOM 1210 CD LYS A 169 21.464 71.141 37.354 1.00 25.81 C ATOM 1211 CE LYS A 169 19.995 70.871 37.569 1.00 29.48 C ATOM 1212 NZ LYS A 169 19.575 71.071 38.982 1.00 33.38 N ATOM 1213 N SER A 170 25.969 71.196 33.872 1.00 19.64 N ATOM 1214 CA SER A 170 27.306 71.712 33.606 1.00 20.52 C ATOM 1215 C SER A 170 27.392 72.139 32.142 1.00 20.17 C ATOM 1216 O SER A 170 27.994 73.164 31.819 1.00 20.73 O ATOM 1217 CB SER A 170 28.371 70.655 33.918 1.00 22.09 C ATOM 1218 OG SER A 170 28.424 70.390 35.311 1.00 26.14 O ATOM 1219 N ALA A 171 26.755 71.364 31.266 1.00 18.86 N ATOM 1220 CA ALA A 171 26.744 71.658 29.837 1.00 17.53 C ATOM 1221 C ALA A 171 25.907 72.894 29.515 1.00 17.18 C ATOM 1222 O ALA A 171 26.266 73.679 28.641 1.00 17.81 O ATOM 1223 CB ALA A 171 26.225 70.458 29.056 1.00 16.65 C ATOM 1224 N TYR A 172 24.804 73.070 30.239 1.00 16.34 N ATOM 1225 CA TYR A 172 23.896 74.195 30.024 1.00 16.19 C ATOM 1226 C TYR A 172 23.560 74.889 31.344 1.00 17.76 C ATOM 1227 O TYR A 172 22.458 74.735 31.871 1.00 17.42 O ATOM 1228 CB TYR A 172 22.602 73.692 29.369 1.00 14.63 C ATOM 1229 CG TYR A 172 22.806 73.007 28.039 1.00 12.63 C ATOM 1230 CD1 TYR A 172 22.796 71.616 27.935 1.00 10.96 C ATOM 1231 CD2 TYR A 172 22.992 73.755 26.877 1.00 13.66 C ATOM 1232 CE1 TYR A 172 22.964 70.985 26.704 1.00 11.92 C ATOM 1233 CE2 TYR A 172 23.160 73.140 25.647 1.00 14.02 C ATOM 1234 CZ TYR A 172 23.146 71.761 25.563 1.00 12.00 C ATOM 1235 OH TYR A 172 23.312 71.163 24.341 1.00 12.31 O ATOM 1236 N PRO A 173 24.499 75.689 31.879 1.00 18.31 N ATOM 1237 CA PRO A 173 24.322 76.414 33.142 1.00 19.39 C ATOM 1238 C PRO A 173 23.091 77.311 33.199 1.00 20.13 C ATOM 1239 O PRO A 173 22.871 78.140 32.311 1.00 20.68 O ATOM 1240 CB PRO A 173 25.613 77.228 33.249 1.00 20.64 C ATOM 1241 CG PRO A 173 26.608 76.364 32.555 1.00 20.76 C ATOM 1242 CD PRO A 173 25.839 75.944 31.325 1.00 20.27 C ATOM 1243 N GLY A 174 22.300 77.123 34.254 1.00 19.91 N ATOM 1244 CA GLY A 174 21.094 77.901 34.475 1.00 21.34 C ATOM 1245 C GLY A 174 19.980 77.699 33.465 1.00 21.52 C ATOM 1246 O GLY A 174 19.068 78.523 33.386 1.00 24.18 O ATOM 1247 N GLN A 175 20.019 76.588 32.734 1.00 19.68 N ATOM 1248 CA GLN A 175 19.012 76.312 31.705 1.00 19.27 C ATOM 1249 C GLN A 175 18.246 75.003 31.862 1.00 18.90 C ATOM 1250 O GLN A 175 17.183 74.837 31.267 1.00 18.48 O ATOM 1251 CB GLN A 175 19.673 76.310 30.326 1.00 19.78 C ATOM 1252 CG GLN A 175 20.374 77.602 29.952 1.00 22.38 C ATOM 1253 CD GLN A 175 21.387 77.397 28.844 1.00 24.96 C ATOM 1254 OE1 GLN A 175 22.598 77.459 29.075 1.00 27.53 O ATOM 1255 NE2 GLN A 175 20.900 77.132 27.639 1.00 24.41 N ATOM 1256 N ILE A 176 18.784 74.066 32.637 1.00 17.39 N ATOM 1257 CA ILE A 176 18.138 72.768 32.812 1.00 17.29 C ATOM 1258 C ILE A 176 17.160 72.738 33.984 1.00 17.88 C ATOM 1259 O ILE A 176 17.543 72.993 35.127 1.00 19.27 O ATOM 1260 CB ILE A 176 19.193 71.645 32.993 1.00 17.03 C ATOM 1261 CG1 ILE A 176 20.195 71.669 31.835 1.00 17.90 C ATOM 1262 CG2 ILE A 176 18.521 70.276 33.088 1.00 17.60 C ATOM 1263 CD1 ILE A 176 19.559 71.528 30.449 1.00 17.22 C ATOM 1264 N THR A 177 15.893 72.454 33.688 1.00 17.06 N ATOM 1265 CA THR A 177 14.869 72.372 34.729 1.00 17.09 C ATOM 1266 C THR A 177 14.671 70.914 35.131 1.00 16.54 C ATOM 1267 O THR A 177 15.220 70.003 34.508 1.00 15.11 O ATOM 1268 CB THR A 177 13.505 72.927 34.254 1.00 16.46 C ATOM 1269 OG1 THR A 177 12.933 72.029 33.296 1.00 16.14 O ATOM 1270 CG2 THR A 177 13.662 74.312 33.634 1.00 17.13 C ATOM 1271 N SER A 178 13.839 70.691 36.146 1.00 17.07 N ATOM 1272 CA SER A 178 13.556 69.339 36.618 1.00 18.77 C ATOM 1273 C SER A 178 12.793 68.511 35.577 1.00 16.58 C ATOM 1274 O SER A 178 12.687 67.291 35.702 1.00 17.60 O ATOM 1275 CB SER A 178 12.750 69.396 37.920 1.00 21.34 C ATOM 1276 OG SER A 178 11.510 70.058 37.717 1.00 25.04 O ATOM 1277 N ASN A 179 12.292 69.176 34.537 1.00 16.38 N ATOM 1278 CA ASN A 179 11.530 68.504 33.489 1.00 14.98 C ATOM 1279 C ASN A 179 12.327 68.273 32.212 1.00 15.68 C ATOM 1280 O ASN A 179 11.760 68.011 31.153 1.00 15.51 O ATOM 1281 CB ASN A 179 10.262 69.296 33.179 1.00 15.46 C ATOM 1282 CG ASN A 179 9.379 69.464 34.398 1.00 14.86 C ATOM 1283 OD1 ASN A 179 9.017 68.485 35.050 1.00 17.41 O ATOM 1284 ND2 ASN A 179 9.043 70.703 34.720 1.00 15.80 N ATOM 1285 N MET A 180 13.648 68.360 32.324 1.00 14.50 N ATOM 1286 CA MET A 180 14.528 68.149 31.184 1.00 14.22 C ATOM 1287 C MET A 180 15.649 67.203 31.559 1.00 14.04 C ATOM 1288 O MET A 180 16.014 67.101 32.731 1.00 14.60 O ATOM 1289 CB MET A 180 15.190 69.463 30.774 1.00 12.99 C ATOM 1290 CG MET A 180 14.250 70.582 30.403 1.00 14.58 C ATOM 1291 SD MET A 180 15.198 72.081 30.164 1.00 14.37 S ATOM 1292 CE MET A 180 13.891 73.307 30.094 1.00 16.09 C ATOM 1293 N PHE A 181 16.172 66.496 30.565 1.00 13.18 N ATOM 1294 CA PHE A 181 17.314 65.621 30.781 1.00 14.01 C ATOM 1295 C PHE A 181 18.168 65.599 29.521 1.00 14.87 C ATOM 1296 O PHE A 181 17.674 65.836 28.415 1.00 13.85 O ATOM 1297 CB PHE A 181 16.911 64.201 31.216 1.00 13.82 C ATOM 1298 CG PHE A 181 16.300 63.359 30.127 1.00 14.30 C ATOM 1299 CD1 PHE A 181 17.102 62.672 29.221 1.00 12.37 C ATOM 1300 CD2 PHE A 181 14.917 63.224 30.031 1.00 14.66 C ATOM 1301 CE1 PHE A 181 16.547 61.867 28.239 1.00 14.10 C ATOM 1302 CE2 PHE A 181 14.346 62.417 29.050 1.00 14.65 C ATOM 1303 CZ PHE A 181 15.158 61.736 28.150 1.00 14.26 C ATOM 1304 N CYS A 182 19.468 65.413 29.708 1.00 13.98 N ATOM 1305 CA CYS A 182 20.389 65.346 28.589 1.00 13.17 C ATOM 1306 C CYS A 182 20.617 63.892 28.210 1.00 12.69 C ATOM 1307 O CYS A 182 20.485 62.990 29.044 1.00 13.79 O ATOM 1308 CB CYS A 182 21.733 65.974 28.963 1.00 13.57 C ATOM 1309 SG CYS A 182 21.785 67.788 29.015 1.00 15.10 S ATOM 1310 N ALA A 183 20.947 63.668 26.944 1.00 12.07 N ATOM 1311 CA ALA A 183 21.234 62.340 26.435 1.00 12.30 C ATOM 1312 C ALA A 183 22.164 62.498 25.241 1.00 13.88 C ATOM 1313 O ALA A 183 22.060 63.470 24.484 1.00 13.69 O ATOM 1314 CB ALA A 183 19.957 61.624 26.024 1.00 13.34 C ATOM 1315 N GLY A 184A 23.110 61.577 25.108 1.00 13.59 N ATOM 1316 CA GLY A 184A 24.036 61.652 23.997 1.00 12.59 C ATOM 1317 C GLY A 184A 25.463 61.324 24.379 1.00 15.34 C ATOM 1318 O GLY A 184A 25.710 60.578 25.326 1.00 14.40 O ATOM 1319 N TYR A 184 26.399 61.899 23.631 1.00 15.09 N ATOM 1320 CA TYR A 184 27.822 61.672 23.849 1.00 15.66 C ATOM 1321 C TYR A 184 28.553 63.004 23.916 1.00 15.72 C ATOM 1322 O TYR A 184 28.481 63.811 22.989 1.00 14.57 O ATOM 1323 CB TYR A 184 28.380 60.802 22.723 1.00 17.21 C ATOM 1324 CG TYR A 184 27.755 59.427 22.660 1.00 18.84 C ATOM 1325 CD1 TYR A 184 26.584 59.200 21.930 1.00 19.73 C ATOM 1326 CD2 TYR A 184 28.320 58.353 23.345 1.00 19.18 C ATOM 1327 CE1 TYR A 184 25.994 57.936 21.887 1.00 20.47 C ATOM 1328 CE2 TYR A 184 27.737 57.088 23.308 1.00 21.20 C ATOM 1329 CZ TYR A 184 26.576 56.887 22.578 1.00 21.36 C ATOM 1330 OH TYR A 184 26.000 55.635 22.540 1.00 24.22 O ATOM 1331 N LEU A 185 29.262 63.229 25.018 1.00 15.32 N ATOM 1332 CA LEU A 185 29.982 64.479 25.226 1.00 16.51 C ATOM 1333 C LEU A 185 31.087 64.775 24.211 1.00 16.54 C ATOM 1334 O LEU A 185 31.436 65.940 24.001 1.00 17.53 O ATOM 1335 CB LEU A 185 30.533 64.546 26.655 1.00 16.60 C ATOM 1336 CG LEU A 185 29.473 64.574 27.766 1.00 17.34 C ATOM 1337 CD1 LEU A 185 30.140 64.738 29.127 1.00 18.22 C ATOM 1338 CD2 LEU A 185 28.499 65.720 27.532 1.00 15.87 C ATOM 1339 N GLU A 186 31.617 63.741 23.565 1.00 17.29 N ATOM 1340 CA GLU A 186 32.677 63.952 22.579 1.00 19.59 C ATOM 1341 C GLU A 186 32.140 64.519 21.264 1.00 19.46 C ATOM 1342 O GLU A 186 32.911 64.988 20.424 1.00 19.08 O ATOM 1343 CB GLU A 186 33.470 62.665 22.324 1.00 22.19 C ATOM 1344 CG GLU A 186 32.719 61.569 21.583 1.00 27.39 C ATOM 1345 CD GLU A 186 33.594 60.362 21.266 1.00 32.09 C ATOM 1346 OE1 GLU A 186 34.801 60.372 21.606 1.00 33.73 O ATOM 1347 OE2 GLU A 186 33.070 59.398 20.668 1.00 34.36 O ATOM 1348 N GLY A 187 30.817 64.490 21.104 1.00 19.12 N ATOM 1349 CA GLY A 187 30.192 65.006 19.898 1.00 18.27 C ATOM 1350 C GLY A 187 30.038 63.980 18.791 1.00 17.75 C ATOM 1351 O GLY A 187 30.517 62.848 18.907 1.00 17.89 O ATOM 1352 N GLY A 188A 29.317 64.355 17.735 1.00 16.16 N ATOM 1353 CA GLY A 188A 29.126 63.460 16.607 1.00 14.46 C ATOM 1354 C GLY A 188A 27.827 62.672 16.533 1.00 15.11 C ATOM 1355 O GLY A 188A 27.488 62.155 15.470 1.00 14.84 O ATOM 1356 N LYS A 188 27.121 62.544 17.655 1.00 14.28 N ATOM 1357 CA LYS A 188 25.856 61.798 17.699 1.00 14.60 C ATOM 1358 C LYS A 188 24.827 62.622 18.459 1.00 14.10 C ATOM 1359 O LYS A 188 25.023 62.931 19.632 1.00 14.43 O ATOM 1360 CB LYS A 188 26.047 60.450 18.398 1.00 15.16 C ATOM 1361 CG LYS A 188 26.837 59.424 17.606 1.00 17.63 C ATOM 1362 CD LYS A 188 26.969 58.140 18.407 1.00 19.98 C ATOM 1363 CE LYS A 188 27.728 57.076 17.651 1.00 21.41 C ATOM 1364 NZ LYS A 188 27.875 55.845 18.480 1.00 23.69 N ATOM 1365 N ASP A 189 23.707 62.938 17.813 1.00 13.14 N ATOM 1366 CA ASP A 189 22.703 63.771 18.466 1.00 11.82 C ATOM 1367 C ASP A 189 21.440 63.864 17.616 1.00 10.77 C ATOM 1368 O ASP A 189 21.385 63.352 16.498 1.00 12.03 O ATOM 1369 CB ASP A 189 23.306 65.176 18.609 1.00 11.83 C ATOM 1370 CG ASP A 189 22.628 66.038 19.663 1.00 11.47 C ATOM 1371 OD1 ASP A 189 23.131 67.158 19.874 1.00 12.88 O ATOM 1372 OD2 ASP A 189 21.625 65.626 20.287 1.00 13.25 O ATOM 1373 N SER A 190 20.396 64.444 18.199 1.00 12.00 N ATOM 1374 CA SER A 190 19.155 64.690 17.469 1.00 11.21 C ATOM 1375 C SER A 190 19.379 66.091 16.889 1.00 10.41 C ATOM 1376 O SER A 190 20.224 66.841 17.384 1.00 10.85 O ATOM 1377 CB SER A 190 17.948 64.667 18.418 1.00 10.00 C ATOM 1378 OG SER A 190 18.134 65.531 19.525 1.00 10.89 O ATOM 1379 N CYS A 191 18.637 66.462 15.849 1.00 9.40 N ATOM 1380 CA CYS A 191 18.848 67.772 15.241 1.00 9.97 C ATOM 1381 C CYS A 191 17.542 68.331 14.668 1.00 10.68 C ATOM 1382 O CYS A 191 16.505 67.681 14.775 1.00 10.15 O ATOM 1383 CB CYS A 191 19.928 67.634 14.159 1.00 11.53 C ATOM 1384 SG CYS A 191 20.755 69.170 13.648 1.00 11.40 S ATOM 1385 N GLN A 192 17.596 69.524 14.065 1.00 11.27 N ATOM 1386 CA GLN A 192 16.402 70.159 13.492 1.00 11.14 C ATOM 1387 C GLN A 192 15.589 69.222 12.603 1.00 12.83 C ATOM 1388 O GLN A 192 16.096 68.668 11.622 1.00 10.94 O ATOM 1389 CB GLN A 192 16.770 71.442 12.736 1.00 9.70 C ATOM 1390 CG GLN A 192 16.964 72.665 13.629 1.00 10.21 C ATOM 1391 CD GLN A 192 18.165 72.550 14.555 1.00 11.03 C ATOM 1392 OE1 GLN A 192 19.230 72.089 14.151 1.00 10.92 O ATOM 1393 NE2 GLN A 192 18.002 72.996 15.797 1.00 10.78 N ATOM 1394 N GLY A 193 14.313 69.070 12.954 1.00 11.41 N ATOM 1395 CA GLY A 193 13.424 68.173 12.237 1.00 10.39 C ATOM 1396 C GLY A 193 13.091 66.958 13.095 1.00 11.21 C ATOM 1397 O GLY A 193 12.182 66.190 12.777 1.00 10.79 O ATOM 1398 N ASP A 194 13.851 66.766 14.172 1.00 9.48 N ATOM 1399 CA ASP A 194 13.635 65.640 15.079 1.00 10.00 C ATOM 1400 C ASP A 194 12.737 65.975 16.258 1.00 9.91 C ATOM 1401 O ASP A 194 12.247 65.063 16.929 1.00 10.52 O ATOM 1402 CB ASP A 194 14.969 65.115 15.626 1.00 10.24 C ATOM 1403 CG ASP A 194 15.791 64.393 14.581 1.00 10.44 C ATOM 1404 OD1 ASP A 194 17.037 64.492 14.630 1.00 12.37 O ATOM 1405 OD2 ASP A 194 15.207 63.712 13.718 1.00 10.59 O ATOM 1406 N SER A 195 12.558 67.266 16.536 1.00 9.70 N ATOM 1407 CA SER A 195 11.729 67.712 17.663 1.00 10.52 C ATOM 1408 C SER A 195 10.393 67.011 17.767 1.00 11.21 C ATOM 1409 O SER A 195 9.739 66.749 16.759 1.00 9.78 O ATOM 1410 CB SER A 195 11.469 69.213 17.616 1.00 9.26 C ATOM 1411 OG SER A 195 12.515 69.939 18.226 1.00 9.14 O ATOM 1412 N GLY A 196 9.991 66.730 19.004 1.00 10.60 N ATOM 1413 CA GLY A 196 8.722 66.063 19.237 1.00 11.00 C ATOM 1414 C GLY A 196 8.831 64.555 19.170 1.00 12.73 C ATOM 1415 O GLY A 196 7.954 63.840 19.676 1.00 11.96 O ATOM 1416 N GLY A 197 9.910 64.080 18.542 1.00 10.77 N ATOM 1417 CA GLY A 197 10.161 62.663 18.381 1.00 10.67 C ATOM 1418 C GLY A 197 10.496 61.928 19.668 1.00 9.61 C ATOM 1419 O GLY A 197 10.783 62.544 20.687 1.00 11.52 O ATOM 1420 N PRO A 198 10.548 60.598 19.610 1.00 10.84 N ATOM 1421 CA PRO A 198 10.833 59.723 20.748 1.00 11.53 C ATOM 1422 C PRO A 198 12.261 59.456 21.199 1.00 13.17 C ATOM 1423 O PRO A 198 13.207 59.455 20.409 1.00 12.52 O ATOM 1424 CB PRO A 198 10.207 58.411 20.301 1.00 12.17 C ATOM 1425 CG PRO A 198 10.561 58.387 18.833 1.00 12.58 C ATOM 1426 CD PRO A 198 10.232 59.806 18.405 1.00 10.68 C ATOM 1427 N VAL A 199 12.362 59.197 22.499 1.00 12.28 N ATOM 1428 CA VAL A 199 13.585 58.759 23.164 1.00 12.25 C ATOM 1429 C VAL A 199 12.967 57.610 23.953 1.00 12.22 C ATOM 1430 O VAL A 199 12.247 57.834 24.933 1.00 13.68 O ATOM 1431 CB VAL A 199 14.171 59.771 24.159 1.00 12.52 C ATOM 1432 CG1 VAL A 199 15.369 59.136 24.896 1.00 13.31 C ATOM 1433 CG2 VAL A 199 14.605 61.028 23.442 1.00 14.32 C ATOM 1434 N VAL A 200 13.134 56.399 23.440 1.00 13.30 N ATOM 1435 CA VAL A 200 12.576 55.210 24.069 1.00 14.70 C ATOM 1436 C VAL A 200 13.663 54.405 24.760 1.00 15.45 C ATOM 1437 O VAL A 200 14.701 54.118 24.170 1.00 15.37 O ATOM 1438 CB VAL A 200 11.848 54.343 23.022 1.00 14.51 C ATOM 1439 CG1 VAL A 200 11.485 52.975 23.598 1.00 16.26 C ATOM 1440 CG2 VAL A 200 10.590 55.069 22.556 1.00 15.50 C ATOM 1441 N CYS A 201 13.408 54.034 26.010 1.00 16.50 N ATOM 1442 CA CYS A 201 14.376 53.270 26.787 1.00 17.64 C ATOM 1443 C CYS A 201 13.666 52.067 27.389 1.00 18.84 C ATOM 1444 O CYS A 201 12.696 52.224 28.129 1.00 18.89 O ATOM 1445 CB CYS A 201 14.949 54.150 27.904 1.00 16.64 C ATOM 1446 SG CYS A 201 15.230 55.895 27.444 1.00 16.90 S ATOM 1447 N SER A 202 14.132 50.871 27.041 1.00 20.96 N ATOM 1448 CA SER A 202 13.540 49.633 27.544 1.00 22.70 C ATOM 1449 C SER A 202 12.034 49.571 27.265 1.00 22.06 C ATOM 1450 O SER A 202 11.241 49.234 28.146 1.00 22.36 O ATOM 1451 CB SER A 202 13.813 49.486 29.047 1.00 25.20 C ATOM 1452 OG SER A 202 15.210 49.439 29.312 1.00 29.98 O ATOM 1453 N GLY A 203 11.651 49.946 26.045 1.00 21.37 N ATOM 1454 CA GLY A 203 10.250 49.919 25.646 1.00 20.92 C ATOM 1455 C GLY A 203 9.347 50.996 26.223 1.00 19.97 C ATOM 1456 O GLY A 203 8.128 50.935 26.055 1.00 20.63 O ATOM 1457 N LYS A 204 9.928 51.985 26.895 1.00 18.32 N ATOM 1458 CA LYS A 204 9.146 53.066 27.489 1.00 18.54 C ATOM 1459 C LYS A 204 9.540 54.421 26.903 1.00 17.84 C ATOM 1460 O LYS A 204 10.722 54.687 26.680 1.00 17.47 O ATOM 1461 CB LYS A 204 9.355 53.109 29.008 1.00 20.80 C ATOM 1462 CG LYS A 204 9.112 51.793 29.740 1.00 22.77 C ATOM 1463 CD LYS A 204 7.669 51.331 29.626 1.00 25.09 C ATOM 1464 CE LYS A 204 7.434 50.082 30.466 1.00 28.17 C ATOM 1465 NZ LYS A 204 6.021 49.611 30.388 1.00 29.60 N ATOM 1466 N LEU A 209 8.551 55.281 26.669 1.00 15.97 N ATOM 1467 CA LEU A 209 8.816 56.615 26.135 1.00 15.24 C ATOM 1468 C LEU A 209 9.269 57.518 27.283 1.00 14.76 C ATOM 1469 O LEU A 209 8.447 58.042 28.037 1.00 15.50 O ATOM 1470 CB LEU A 209 7.556 57.192 25.478 1.00 14.07 C ATOM 1471 CG LEU A 209 7.696 58.597 24.887 1.00 15.05 C ATOM 1472 CD1 LEU A 209 8.634 58.559 23.687 1.00 14.69 C ATOM 1473 CD2 LEU A 209 6.327 59.135 24.483 1.00 15.84 C ATOM 1474 N GLN A 210 10.583 57.691 27.416 1.00 13.82 N ATOM 1475 CA GLN A 210 11.147 58.516 28.480 1.00 13.66 C ATOM 1476 C GLN A 210 11.410 59.964 28.091 1.00 12.10 C ATOM 1477 O GLN A 210 11.478 60.841 28.952 1.00 11.85 O ATOM 1478 CB GLN A 210 12.449 57.892 28.996 1.00 15.46 C ATOM 1479 CG GLN A 210 12.281 56.527 29.662 1.00 17.32 C ATOM 1480 CD GLN A 210 11.640 56.605 31.040 1.00 17.77 C ATOM 1481 OE1 GLN A 210 11.276 57.679 31.517 1.00 18.33 O ATOM 1482 NE2 GLN A 210 11.510 55.454 31.691 1.00 18.44 N ATOM 1483 N GLY A 211 11.549 60.225 26.797 1.00 12.43 N ATOM 1484 CA GLY A 211 11.821 61.587 26.385 1.00 12.15 C ATOM 1485 C GLY A 211 11.230 62.028 25.064 1.00 10.00 C ATOM 1486 O GLY A 211 10.778 61.216 24.256 1.00 11.31 O ATOM 1487 N ILE A 212 11.235 63.343 24.878 1.00 10.43 N ATOM 1488 CA ILE A 212 10.744 63.997 23.670 1.00 9.65 C ATOM 1489 C ILE A 212 11.883 64.908 23.205 1.00 9.43 C ATOM 1490 O ILE A 212 12.412 65.698 23.995 1.00 9.46 O ATOM 1491 CB ILE A 212 9.529 64.891 23.981 1.00 10.87 C ATOM 1492 CG1 ILE A 212 8.389 64.065 24.576 1.00 11.80 C ATOM 1493 CG2 ILE A 212 9.051 65.610 22.714 1.00 10.47 C ATOM 1494 CD1 ILE A 212 7.286 64.934 25.177 1.00 11.49 C ATOM 1495 N VAL A 213 12.267 64.796 21.936 1.00 10.64 N ATOM 1496 CA VAL A 213 13.330 65.642 21.396 1.00 9.85 C ATOM 1497 C VAL A 213 12.915 67.098 21.589 1.00 10.91 C ATOM 1498 O VAL A 213 11.844 67.508 21.143 1.00 10.59 O ATOM 1499 CB VAL A 213 13.570 65.353 19.902 1.00 10.31 C ATOM 1500 CG1 VAL A 213 14.639 66.287 19.359 1.00 10.17 C ATOM 1501 CG2 VAL A 213 13.977 63.907 19.707 1.00 9.31 C ATOM 1502 N SER A 214 13.757 67.878 22.261 1.00 9.03 N ATOM 1503 CA SER A 214 13.423 69.262 22.554 1.00 10.15 C ATOM 1504 C SER A 214 14.377 70.330 22.025 1.00 11.17 C ATOM 1505 O SER A 214 14.031 71.063 21.103 1.00 10.66 O ATOM 1506 CB SER A 214 13.216 69.423 24.071 1.00 8.53 C ATOM 1507 OG SER A 214 12.770 70.719 24.421 1.00 10.09 O ATOM 1508 N TRP A 215 15.574 70.430 22.603 1.00 10.20 N ATOM 1509 CA TRP A 215 16.514 71.462 22.166 1.00 10.54 C ATOM 1510 C TRP A 215 17.966 71.129 22.481 1.00 9.80 C ATOM 1511 O TRP A 215 18.267 70.086 23.050 1.00 10.35 O ATOM 1512 CB TRP A 215 16.166 72.802 22.822 1.00 11.09 C ATOM 1513 CG TRP A 215 16.305 72.806 24.332 1.00 12.86 C ATOM 1514 CD1 TRP A 215 15.385 72.359 25.240 1.00 12.95 C ATOM 1515 CD2 TRP A 215 17.415 73.302 25.099 1.00 12.80 C ATOM 1516 NE1 TRP A 215 15.848 72.550 26.522 1.00 12.84 N ATOM 1517 CE2 TRP A 215 17.090 73.126 26.466 1.00 13.14 C ATOM 1518 CE3 TRP A 215 18.649 73.880 24.764 1.00 12.94 C ATOM 1519 CZ2 TRP A 215 17.958 73.504 27.500 1.00 14.29 C ATOM 1520 CZ3 TRP A 215 19.514 74.258 25.796 1.00 13.99 C ATOM 1521 CH2 TRP A 215 19.161 74.067 27.146 1.00 13.52 C ATOM 1522 N GLY A 216 18.855 72.031 22.084 1.00 11.12 N ATOM 1523 CA GLY A 216 20.276 71.854 22.348 1.00 11.76 C ATOM 1524 C GLY A 216 21.068 72.969 21.697 1.00 13.23 C ATOM 1525 O GLY A 216 20.508 73.778 20.958 1.00 12.99 O ATOM 1526 N SER A 217 22.351 73.080 22.033 1.00 12.53 N ATOM 1527 CA SER A 217 23.194 74.099 21.413 1.00 13.98 C ATOM 1528 C SER A 217 23.720 73.456 20.138 1.00 13.77 C ATOM 1529 O SER A 217 24.650 72.650 20.178 1.00 13.84 O ATOM 1530 CB SER A 217 24.356 74.483 22.330 1.00 14.97 C ATOM 1531 OG SER A 217 25.235 75.386 21.671 1.00 18.36 O ATOM 1532 N GLY A 219 23.095 73.785 19.010 1.00 13.73 N ATOM 1533 CA GLY A 219 23.489 73.189 17.748 1.00 13.19 C ATOM 1534 C GLY A 219 23.141 71.712 17.777 1.00 13.65 C ATOM 1535 O GLY A 219 22.218 71.302 18.496 1.00 13.66 O ATOM 1536 N CYS A 220 23.891 70.908 17.029 1.00 12.61 N ATOM 1537 CA CYS A 220 23.671 69.467 16.978 1.00 12.32 C ATOM 1538 C CYS A 220 24.995 68.719 16.958 1.00 13.42 C ATOM 1539 O CYS A 220 25.889 69.050 16.178 1.00 14.71 O ATOM 1540 CB CYS A 220 22.918 69.071 15.712 1.00 13.13 C ATOM 1541 SG CYS A 220 21.393 69.994 15.386 1.00 12.57 S ATOM 1542 N ALA A 221A 25.091 67.687 17.790 1.00 13.01 N ATOM 1543 CA ALA A 221A 26.280 66.844 17.860 1.00 14.34 C ATOM 1544 C ALA A 221A 27.578 67.587 18.169 1.00 14.84 C ATOM 1545 O ALA A 221A 28.661 67.140 17.784 1.00 15.58 O ATOM 1546 CB ALA A 221A 26.420 66.038 16.576 1.00 13.96 C ATOM 1547 N GLN A 221 27.472 68.715 18.860 1.00 14.91 N ATOM 1548 CA GLN A 221 28.657 69.490 19.218 1.00 16.77 C ATOM 1549 C GLN A 221 29.284 68.935 20.489 1.00 17.37 C ATOM 1550 O GLN A 221 28.587 68.423 21.361 1.00 16.19 O ATOM 1551 CB GLN A 221 28.309 70.965 19.427 1.00 19.29 C ATOM 1552 CG GLN A 221 27.811 71.674 18.173 1.00 21.16 C ATOM 1553 CD GLN A 221 28.781 71.541 17.016 1.00 24.67 C ATOM 1554 OE1 GLN A 221 29.877 72.113 17.039 1.00 25.17 O ATOM 1555 NE2 GLN A 221 28.393 70.772 16.003 1.00 24.54 N ATOM 1556 N LYS A 222 30.608 69.026 20.580 1.00 16.09 N ATOM 1557 CA LYS A 222 31.322 68.549 21.759 1.00 16.68 C ATOM 1558 C LYS A 222 30.825 69.313 22.986 1.00 15.35 C ATOM 1559 O LYS A 222 30.578 70.518 22.916 1.00 15.26 O ATOM 1560 CB LYS A 222 32.830 68.773 21.578 1.00 19.25 C ATOM 1561 CG LYS A 222 33.692 68.242 22.716 1.00 22.36 C ATOM 1562 CD LYS A 222 35.165 68.516 22.446 1.00 27.06 C ATOM 1563 CE LYS A 222 36.047 67.991 23.570 1.00 28.87 C ATOM 1564 NZ LYS A 222 37.497 68.248 23.308 1.00 31.78 N ATOM 1565 N ASN A 223 30.648 68.591 24.093 1.00 16.46 N ATOM 1566 CA ASN A 223 30.194 69.156 25.364 1.00 15.74 C ATOM 1567 C ASN A 223 28.778 69.727 25.345 1.00 15.58 C ATOM 1568 O ASN A 223 28.355 70.367 26.303 1.00 16.54 O ATOM 1569 CB ASN A 223 31.171 70.234 25.853 1.00 17.87 C ATOM 1570 CG ASN A 223 32.595 69.715 25.991 1.00 21.17 C ATOM 1571 OD1 ASN A 223 32.815 68.551 26.325 1.00 22.24 O ATOM 1572 ND2 ASN A 223 33.567 70.576 25.715 1.00 22.67 N ATOM 1573 N LYS A 224 28.048 69.483 24.259 1.00 15.81 N ATOM 1574 CA LYS A 224 26.687 69.997 24.122 1.00 15.07 C ATOM 1575 C LYS A 224 25.703 68.901 23.710 1.00 14.66 C ATOM 1576 O LYS A 224 25.253 68.845 22.562 1.00 13.62 O ATOM 1577 CB LYS A 224 26.663 71.146 23.103 1.00 15.79 C ATOM 1578 CG LYS A 224 27.468 72.379 23.510 1.00 18.18 C ATOM 1579 CD LYS A 224 26.914 73.016 24.773 1.00 20.74 C ATOM 1580 CE LYS A 224 27.596 74.338 25.067 1.00 25.23 C ATOM 1581 NZ LYS A 224 26.960 75.035 26.222 1.00 27.89 N ATOM 1582 N PRO A 225 25.353 68.008 24.650 1.00 13.31 N ATOM 1583 CA PRO A 225 24.415 66.918 24.361 1.00 12.71 C ATOM 1584 C PRO A 225 22.993 67.435 24.163 1.00 11.21 C ATOM 1585 O PRO A 225 22.660 68.536 24.593 1.00 12.38 O ATOM 1586 CB PRO A 225 24.508 66.055 25.619 1.00 12.81 C ATOM 1587 CG PRO A 225 24.765 67.062 26.695 1.00 14.06 C ATOM 1588 CD PRO A 225 25.804 67.957 26.053 1.00 14.73 C ATOM 1589 N GLY A 226 22.158 66.629 23.520 1.00 12.13 N ATOM 1590 CA GLY A 226 20.780 67.040 23.302 1.00 12.48 C ATOM 1591 C GLY A 226 19.988 67.085 24.598 1.00 13.07 C ATOM 1592 O GLY A 226 20.258 66.313 25.523 1.00 13.35 O ATOM 1593 N VAL A 227 19.028 68.003 24.672 1.00 12.25 N ATOM 1594 CA VAL A 227 18.178 68.141 25.851 1.00 11.60 C ATOM 1595 C VAL A 227 16.802 67.605 25.472 1.00 12.82 C ATOM 1596 O VAL A 227 16.309 67.852 24.369 1.00 11.87 O ATOM 1597 CB VAL A 227 18.085 69.596 26.333 1.00 12.34 C ATOM 1598 CG1 VAL A 227 17.281 69.663 27.629 1.00 12.20 C ATOM 1599 CG2 VAL A 227 19.492 70.167 26.551 1.00 13.33 C ATOM 1600 N TYR A 228 16.186 66.877 26.396 1.00 10.82 N ATOM 1601 CA TYR A 228 14.906 66.238 26.140 1.00 12.26 C ATOM 1602 C TYR A 228 13.888 66.459 27.249 1.00 11.84 C ATOM 1603 O TYR A 228 14.248 66.636 28.409 1.00 12.88 O ATOM 1604 CB TYR A 228 15.151 64.736 25.963 1.00 11.75 C ATOM 1605 CG TYR A 228 16.107 64.423 24.832 1.00 12.45 C ATOM 1606 CD1 TYR A 228 15.630 64.170 23.558 1.00 11.97 C ATOM 1607 CD2 TYR A 228 17.494 64.434 25.028 1.00 12.70 C ATOM 1608 CE1 TYR A 228 16.493 63.940 22.493 1.00 11.12 C ATOM 1609 CE2 TYR A 228 18.372 64.207 23.964 1.00 12.11 C ATOM 1610 CZ TYR A 228 17.860 63.962 22.700 1.00 13.43 C ATOM 1611 OH TYR A 228 18.695 63.753 21.629 1.00 11.83 O ATOM 1612 N THR A 229 12.610 66.475 26.881 1.00 12.64 N ATOM 1613 CA THR A 229 11.548 66.649 27.863 1.00 12.03 C ATOM 1614 C THR A 229 11.438 65.341 28.649 1.00 10.37 C ATOM 1615 O THR A 229 11.367 64.262 28.062 1.00 10.84 O ATOM 1616 CB THR A 229 10.207 66.956 27.177 1.00 11.98 C ATOM 1617 OG1 THR A 229 10.385 68.070 26.293 1.00 12.08 O ATOM 1618 CG2 THR A 229 9.139 67.307 28.218 1.00 11.48 C ATOM 1619 N LYS A 230 11.435 65.455 29.976 1.00 12.97 N ATOM 1620 CA LYS A 230 11.368 64.300 30.874 1.00 13.49 C ATOM 1621 C LYS A 230 9.927 63.799 31.021 1.00 13.75 C ATOM 1622 O LYS A 230 9.207 64.196 31.939 1.00 14.36 O ATOM 1623 CB LYS A 230 11.955 64.688 32.235 1.00 13.89 C ATOM 1624 CG LYS A 230 12.271 63.514 33.152 1.00 16.12 C ATOM 1625 CD LYS A 230 13.152 63.967 34.310 1.00 18.05 C ATOM 1626 CE LYS A 230 13.559 62.793 35.188 1.00 19.72 C ATOM 1627 NZ LYS A 230 14.561 63.200 36.226 1.00 19.00 N ATOM 1628 N VAL A 231 9.554 62.883 30.135 1.00 13.25 N ATOM 1629 CA VAL A 231 8.205 62.313 30.068 1.00 13.78 C ATOM 1630 C VAL A 231 7.679 61.672 31.354 1.00 14.41 C ATOM 1631 O VAL A 231 6.479 61.754 31.644 1.00 14.44 O ATOM 1632 CB VAL A 231 8.099 61.300 28.904 1.00 13.35 C ATOM 1633 CG1 VAL A 231 6.691 60.696 28.828 1.00 12.97 C ATOM 1634 CG2 VAL A 231 8.427 61.996 27.588 1.00 14.38 C ATOM 1635 N CYS A 232 8.568 61.065 32.136 1.00 15.67 N ATOM 1636 CA CYS A 232 8.147 60.411 33.375 1.00 16.29 C ATOM 1637 C CYS A 232 7.496 61.355 34.386 1.00 16.64 C ATOM 1638 O CYS A 232 6.736 60.913 35.248 1.00 19.43 O ATOM 1639 CB CYS A 232 9.315 59.654 34.011 1.00 17.48 C ATOM 1640 SG CYS A 232 10.679 60.702 34.598 1.00 16.41 S ATOM 1641 N ASN A 233 7.770 62.653 34.263 1.00 15.62 N ATOM 1642 CA ASN A 233 7.195 63.656 35.158 1.00 15.64 C ATOM 1643 C ASN A 233 5.767 64.048 34.763 1.00 16.71 C ATOM 1644 O ASN A 233 5.063 64.696 35.541 1.00 17.56 O ATOM 1645 CB ASN A 233 8.048 64.931 35.159 1.00 17.26 C ATOM 1646 CG ASN A 233 9.369 64.757 35.875 1.00 18.52 C ATOM 1647 OD1 ASN A 233 9.653 63.700 36.433 1.00 20.30 O ATOM 1648 ND2 ASN A 233 10.189 65.804 35.860 1.00 19.07 N ATOM 1649 N TYR A 234 5.351 63.647 33.563 1.00 16.83 N ATOM 1650 CA TYR A 234 4.035 64.000 33.028 1.00 16.70 C ATOM 1651 C TYR A 234 3.053 62.856 32.831 1.00 17.21 C ATOM 1652 O TYR A 234 1.976 63.066 32.273 1.00 16.13 O ATOM 1653 CB TYR A 234 4.211 64.699 31.676 1.00 16.33 C ATOM 1654 CG TYR A 234 5.058 65.937 31.743 1.00 15.61 C ATOM 1655 CD1 TYR A 234 4.489 67.172 32.037 1.00 15.06 C ATOM 1656 CD2 TYR A 234 6.437 65.871 31.553 1.00 15.62 C ATOM 1657 CE1 TYR A 234 5.268 68.309 32.148 1.00 16.23 C ATOM 1658 CE2 TYR A 234 7.224 67.001 31.659 1.00 14.14 C ATOM 1659 CZ TYR A 234 6.639 68.215 31.958 1.00 14.52 C ATOM 1660 OH TYR A 234 7.410 69.336 32.084 1.00 15.97 O ATOM 1661 N VAL A 235 3.404 61.659 33.285 1.00 16.52 N ATOM 1662 CA VAL A 235 2.532 60.506 33.093 1.00 16.92 C ATOM 1663 C VAL A 235 1.085 60.699 33.556 1.00 16.79 C ATOM 1664 O VAL A 235 0.155 60.400 32.805 1.00 16.31 O ATOM 1665 CB VAL A 235 3.143 59.221 33.683 1.00 18.45 C ATOM 1666 CG1 VAL A 235 2.170 58.059 33.544 1.00 19.30 C ATOM 1667 CG2 VAL A 235 4.432 58.889 32.940 1.00 19.23 C ATOM 1668 N ASER A 236 0.898 61.202 34.775 0.33 16.65 N ATOM 1669 N BSER A 236 0.905 61.207 34.773 0.33 16.77 N ATOM 1670 N CSER A 236 0.903 61.204 34.775 0.33 16.68 N ATOM 1671 CA ASER A 236 -0.448 61.423 35.302 0.33 16.77 C ATOM 1672 CA BSER A 236 -0.432 61.438 35.313 0.33 17.02 C ATOM 1673 CA CSER A 236 -0.437 61.436 35.312 0.33 16.86 C ATOM 1674 C ASER A 236 -1.195 62.472 34.480 0.33 16.79 C ATOM 1675 C BSER A 236 -1.185 62.465 34.474 0.33 16.92 C ATOM 1676 C CSER A 236 -1.189 62.470 34.480 0.33 16.83 C ATOM 1677 O ASER A 236 -2.375 62.299 34.168 0.33 16.51 O ATOM 1678 O BSER A 236 -2.357 62.271 34.146 0.33 16.58 O ATOM 1679 O CSER A 236 -2.365 62.284 34.162 0.33 16.51 O ATOM 1680 CB ASER A 236 -0.404 61.829 36.780 0.33 16.75 C ATOM 1681 CB BSER A 236 -0.351 61.916 36.765 0.33 17.21 C ATOM 1682 CB CSER A 236 -0.364 61.897 36.771 0.33 16.92 C ATOM 1683 OG ASER A 236 0.257 63.067 36.965 0.33 16.30 O ATOM 1684 OG BSER A 236 -1.645 62.169 37.286 0.33 17.56 O ATOM 1685 OG CSER A 236 0.107 60.858 37.610 0.33 16.77 O ATOM 1686 N TRP A 237 -0.496 63.544 34.111 1.00 16.47 N ATOM 1687 CA TRP A 237 -1.089 64.615 33.307 1.00 16.55 C ATOM 1688 C TRP A 237 -1.495 64.104 31.926 1.00 16.56 C ATOM 1689 O TRP A 237 -2.581 64.424 31.441 1.00 16.21 O ATOM 1690 CB TRP A 237 -0.117 65.793 33.156 1.00 16.57 C ATOM 1691 CG TRP A 237 -0.639 66.874 32.242 1.00 16.57 C ATOM 1692 CD1 TRP A 237 -1.545 67.850 32.554 1.00 15.56 C ATOM 1693 CD2 TRP A 237 -0.306 67.064 30.860 1.00 16.84 C ATOM 1694 NE1 TRP A 237 -1.801 68.631 31.449 1.00 16.80 N ATOM 1695 CE2 TRP A 237 -1.054 68.170 30.397 1.00 17.32 C ATOM 1696 CE3 TRP A 237 0.549 66.404 29.967 1.00 16.97 C ATOM 1697 CZ2 TRP A 237 -0.972 68.632 29.078 1.00 16.63 C ATOM 1698 CZ3 TRP A 237 0.631 66.865 28.654 1.00 17.83 C ATOM 1699 CH2 TRP A 237 -0.127 67.967 28.225 1.00 17.47 C ATOM 1700 N ILE A 238 -0.621 63.318 31.299 1.00 15.62 N ATOM 1701 CA ILE A 238 -0.898 62.756 29.978 1.00 15.19 C ATOM 1702 C ILE A 238 -2.159 61.893 30.020 1.00 15.72 C ATOM 1703 O ILE A 238 -3.092 62.106 29.245 1.00 15.91 O ATOM 1704 CB ILE A 238 0.284 61.897 29.466 1.00 15.60 C ATOM 1705 CG1 ILE A 238 1.517 62.780 29.247 1.00 15.23 C ATOM 1706 CG2 ILE A 238 -0.093 61.187 28.174 1.00 15.23 C ATOM 1707 CD1 ILE A 238 2.773 61.997 28.864 1.00 14.89 C ATOM 1708 N LYS A 239 -2.190 60.943 30.953 1.00 15.55 N ATOM 1709 CA LYS A 239 -3.329 60.041 31.098 1.00 16.25 C ATOM 1710 C LYS A 239 -4.642 60.778 31.353 1.00 15.82 C ATOM 1711 O LYS A 239 -5.647 60.505 30.693 1.00 16.46 O ATOM 1712 CB LYS A 239 -3.065 59.036 32.221 1.00 16.20 C ATOM 1713 CG LYS A 239 -1.963 58.037 31.896 1.00 16.22 C ATOM 1714 CD LYS A 239 -1.546 57.245 33.128 1.00 19.03 C ATOM 1715 CE LYS A 239 -2.703 56.444 33.707 1.00 22.82 C ATOM 1716 NZ LYS A 239 -2.352 55.863 35.035 1.00 23.74 N ATOM 1717 N GLN A 240 -4.627 61.722 32.289 1.00 15.78 N ATOM 1718 CA GLN A 240 -5.828 62.482 32.619 1.00 15.34 C ATOM 1719 C GLN A 240 -6.261 63.406 31.482 1.00 16.59 C ATOM 1720 O GLN A 240 -7.453 63.528 31.200 1.00 17.23 O ATOM 1721 CB GLN A 240 -5.627 63.287 33.905 1.00 15.72 C ATOM 1722 CG GLN A 240 -6.895 63.981 34.423 1.00 16.61 C ATOM 1723 CD GLN A 240 -7.992 63.002 34.826 1.00 16.29 C ATOM 1724 OE1 GLN A 240 -7.733 61.826 35.088 1.00 16.43 O ATOM 1725 NE2 GLN A 240 -9.226 63.493 34.885 1.00 15.76 N ATOM 1726 N THR A 241 -5.297 64.042 30.819 1.00 14.94 N ATOM 1727 CA THR A 241 -5.616 64.944 29.717 1.00 15.92 C ATOM 1728 C THR A 241 -6.248 64.214 28.534 1.00 15.68 C ATOM 1729 O THR A 241 -7.249 64.677 27.983 1.00 17.69 O ATOM 1730 CB THR A 241 -4.382 65.739 29.260 1.00 14.11 C ATOM 1731 OG1 THR A 241 -3.909 66.529 30.357 1.00 15.59 O ATOM 1732 CG2 THR A 241 -4.737 66.667 28.091 1.00 14.87 C ATOM 1733 N AILE A 242 -5.671 63.074 28.168 0.50 16.18 N ATOM 1734 N BILE A 242 -5.676 63.080 28.137 0.50 16.01 N ATOM 1735 CA AILE A 242 -6.172 62.253 27.069 0.50 16.12 C ATOM 1736 CA BILE A 242 -6.235 62.329 27.016 0.50 15.95 C ATOM 1737 C AILE A 242 -7.594 61.783 27.369 0.50 16.86 C ATOM 1738 C BILE A 242 -7.615 61.764 27.355 0.50 16.70 C ATOM 1739 O AILE A 242 -8.477 61.840 26.513 0.50 16.34 O ATOM 1740 O BILE A 242 -8.500 61.725 26.500 0.50 16.24 O ATOM 1741 CB AILE A 242 -5.277 61.004 26.869 0.50 16.93 C ATOM 1742 CB BILE A 242 -5.282 61.222 26.499 0.50 16.54 C ATOM 1743 CG1AILE A 242 -3.953 61.402 26.217 0.50 17.31 C ATOM 1744 CG1BILE A 242 -4.970 60.201 27.590 0.50 16.18 C ATOM 1745 CG2AILE A 242 -5.997 59.932 26.052 0.50 16.17 C ATOM 1746 CG2BILE A 242 -3.992 61.849 25.987 0.50 14.63 C ATOM 1747 CD1AILE A 242 -2.998 60.254 26.078 0.50 17.71 C ATOM 1748 CD1BILE A 242 -4.006 59.117 27.141 0.50 18.08 C ATOM 1749 N ALA A 243 -7.801 61.350 28.608 1.00 17.08 N ATOM 1750 CA ALA A 243 -9.091 60.832 29.058 1.00 18.00 C ATOM 1751 C ALA A 243 -10.165 61.915 29.165 1.00 18.93 C ATOM 1752 O ALA A 243 -11.359 61.606 29.142 1.00 19.48 O ATOM 1753 CB ALA A 243 -8.929 60.132 30.398 1.00 18.38 C ATOM 1754 N ASER A 244 -9.742 63.171 29.288 0.50 18.30 N ATOM 1755 N BSER A 244 -9.739 63.171 29.280 0.50 18.21 N ATOM 1756 CA ASER A 244 -10.681 64.284 29.399 0.50 19.20 C ATOM 1757 CA BSER A 244 -10.661 64.298 29.400 0.50 19.06 C ATOM 1758 C ASER A 244 -10.871 65.054 28.089 0.50 19.16 C ATOM 1759 C BSER A 244 -10.868 65.055 28.087 0.50 19.06 C ATOM 1760 O ASER A 244 -11.373 66.178 28.088 0.50 19.84 O ATOM 1761 O BSER A 244 -11.378 66.176 28.084 0.50 19.74 O ATOM 1762 CB ASER A 244 -10.255 65.234 30.527 0.50 19.71 C ATOM 1763 CB BSER A 244 -10.165 65.267 30.476 0.50 19.42 C ATOM 1764 OG ASER A 244 -8.958 65.759 30.314 0.50 21.23 O ATOM 1765 OG BSER A 244 -10.090 64.635 31.741 0.50 20.88 O ATOM 1766 N ASN A 245 -10.481 64.436 26.976 1.00 19.23 N ATOM 1767 CA ASN A 245 -10.613 65.058 25.657 1.00 19.77 C ATOM 1768 C ASN A 245 -10.994 64.053 24.572 1.00 19.65 C ATOM 1769 O ASN A 245 -11.075 64.467 23.395 1.00 20.46 O ATOM 1770 CB ASN A 245 -9.312 65.776 25.267 1.00 19.88 C ATOM 1771 CG ASN A 245 -9.111 67.076 26.022 1.00 20.65 C ATOM 1772 OD1 ASN A 245 -9.681 68.107 25.667 1.00 23.12 O ATOM 1773 ND2 ASN A 245 -8.297 67.035 27.071 1.00 19.82 N ATOM 1774 OXT ASN A 245 -11.228 62.872 24.898 1.00 18.99 O TER 1775 ASN A 245 ATOM 1776 N ARG B 1 18.363 103.290 15.644 1.00 34.72 N ATOM 1777 CA ARG B 1 18.390 101.966 16.335 1.00 34.58 C ATOM 1778 C ARG B 1 18.713 100.843 15.347 1.00 33.09 C ATOM 1779 O ARG B 1 18.477 100.979 14.143 1.00 33.93 O ATOM 1780 CB ARG B 1 17.039 101.692 17.013 1.00 35.39 C ATOM 1781 CG ARG B 1 15.877 101.429 16.053 1.00 36.06 C ATOM 1782 CD ARG B 1 14.563 101.200 16.798 1.00 36.63 C ATOM 1783 NE ARG B 1 14.059 102.423 17.425 1.00 38.06 N ATOM 1784 CZ ARG B 1 14.028 102.646 18.737 1.00 37.81 C ATOM 1785 NH1 ARG B 1 14.472 101.730 19.589 1.00 37.72 N ATOM 1786 NH2 ARG B 1 13.559 103.797 19.196 1.00 38.40 N ATOM 1787 N PRO B 2 19.284 99.728 15.841 1.00 31.82 N ATOM 1788 CA PRO B 2 19.629 98.591 14.979 1.00 30.31 C ATOM 1789 C PRO B 2 18.376 98.027 14.319 1.00 28.01 C ATOM 1790 O PRO B 2 17.378 97.752 14.989 1.00 29.42 O ATOM 1791 CB PRO B 2 20.221 97.583 15.963 1.00 30.61 C ATOM 1792 CG PRO B 2 20.808 98.449 17.028 1.00 32.68 C ATOM 1793 CD PRO B 2 19.730 99.484 17.224 1.00 32.66 C ATOM 1794 N ASP B 3 18.430 97.877 13.003 1.00 24.15 N ATOM 1795 CA ASP B 3 17.304 97.352 12.245 1.00 20.80 C ATOM 1796 C ASP B 3 17.264 95.830 12.370 1.00 18.03 C ATOM 1797 O ASP B 3 18.170 95.148 11.898 1.00 16.49 O ATOM 1798 CB ASP B 3 17.455 97.757 10.778 1.00 20.59 C ATOM 1799 CG ASP B 3 16.201 97.516 9.967 1.00 21.80 C ATOM 1800 OD1 ASP B 3 15.317 96.753 10.408 1.00 20.01 O ATOM 1801 OD2 ASP B 3 16.101 98.102 8.874 1.00 22.26 O ATOM 1802 N PHE B 4 16.209 95.295 12.987 1.00 15.55 N ATOM 1803 CA PHE B 4 16.109 93.847 13.138 1.00 13.88 C ATOM 1804 C PHE B 4 16.018 93.119 11.800 1.00 12.20 C ATOM 1805 O PHE B 4 16.318 91.933 11.719 1.00 11.63 O ATOM 1806 CB PHE B 4 14.970 93.434 14.094 1.00 13.78 C ATOM 1807 CG PHE B 4 13.580 93.735 13.589 1.00 14.04 C ATOM 1808 CD1 PHE B 4 12.978 92.923 12.629 1.00 13.86 C ATOM 1809 CD2 PHE B 4 12.846 94.787 14.128 1.00 13.94 C ATOM 1810 CE1 PHE B 4 11.664 93.151 12.216 1.00 13.46 C ATOM 1811 CE2 PHE B 4 11.532 95.023 13.723 1.00 14.46 C ATOM 1812 CZ PHE B 4 10.941 94.198 12.763 1.00 12.91 C ATOM 1813 N CYS B 5 15.656 93.850 10.745 1.00 12.51 N ATOM 1814 CA CYS B 5 15.547 93.276 9.405 1.00 12.95 C ATOM 1815 C CYS B 5 16.915 92.944 8.815 1.00 13.57 C ATOM 1816 O CYS B 5 17.009 92.198 7.839 1.00 13.10 O ATOM 1817 CB CYS B 5 14.854 94.254 8.457 1.00 13.05 C ATOM 1818 SG CYS B 5 13.135 94.657 8.874 1.00 14.27 S ATOM 1819 N LEU B 6 17.962 93.527 9.397 1.00 14.02 N ATOM 1820 CA LEU B 6 19.331 93.327 8.928 1.00 15.43 C ATOM 1821 C LEU B 6 20.106 92.278 9.720 1.00 16.36 C ATOM 1822 O LEU B 6 21.282 92.019 9.441 1.00 16.50 O ATOM 1823 CB LEU B 6 20.087 94.664 8.935 1.00 16.81 C ATOM 1824 CG LEU B 6 19.413 95.831 8.211 1.00 19.77 C ATOM 1825 CD1 LEU B 6 20.323 97.047 8.241 1.00 21.01 C ATOM 1826 CD2 LEU B 6 19.081 95.452 6.780 1.00 19.92 C ATOM 1827 N GLU B 7 19.450 91.683 10.712 1.00 14.45 N ATOM 1828 CA GLU B 7 20.070 90.650 11.526 1.00 14.40 C ATOM 1829 C GLU B 7 20.001 89.319 10.790 1.00 15.27 C ATOM 1830 O GLU B 7 18.995 89.008 10.141 1.00 13.86 O ATOM 1831 CB GLU B 7 19.341 90.512 12.866 1.00 15.92 C ATOM 1832 CG GLU B 7 19.432 91.730 13.767 1.00 18.58 C ATOM 1833 CD GLU B 7 20.842 91.999 14.275 1.00 22.15 C ATOM 1834 OE1 GLU B 7 21.656 91.051 14.348 1.00 21.91 O ATOM 1835 OE2 GLU B 7 21.128 93.166 14.620 1.00 26.97 O ATOM 1836 N PRO B 8 21.069 88.509 10.876 1.00 14.45 N ATOM 1837 CA PRO B 8 21.092 87.206 10.205 1.00 14.00 C ATOM 1838 C PRO B 8 19.987 86.310 10.771 1.00 13.47 C ATOM 1839 O PRO B 8 19.585 86.470 11.926 1.00 13.56 O ATOM 1840 CB PRO B 8 22.474 86.660 10.570 1.00 15.79 C ATOM 1841 CG PRO B 8 23.294 87.897 10.778 1.00 18.88 C ATOM 1842 CD PRO B 8 22.352 88.774 11.552 1.00 16.68 C ATOM 1843 N PRO B 9 19.468 85.374 9.958 1.00 12.79 N ATOM 1844 CA PRO B 9 18.406 84.473 10.416 1.00 13.60 C ATOM 1845 C PRO B 9 18.870 83.620 11.590 1.00 13.11 C ATOM 1846 O PRO B 9 20.009 83.154 11.624 1.00 14.25 O ATOM 1847 CB PRO B 9 18.103 83.637 9.172 1.00 13.40 C ATOM 1848 CG PRO B 9 19.409 83.630 8.434 1.00 14.41 C ATOM 1849 CD PRO B 9 19.861 85.058 8.575 1.00 13.98 C ATOM 1850 N TYR B 10 17.978 83.437 12.555 1.00 11.16 N ATOM 1851 CA TYR B 10 18.287 82.681 13.762 1.00 11.50 C ATOM 1852 C TYR B 10 17.413 81.440 13.915 1.00 11.69 C ATOM 1853 O TYR B 10 16.233 81.540 14.252 1.00 11.78 O ATOM 1854 CB TYR B 10 18.116 83.612 14.965 1.00 12.04 C ATOM 1855 CG TYR B 10 18.448 82.996 16.302 1.00 13.49 C ATOM 1856 CD1 TYR B 10 17.453 82.762 17.243 1.00 14.78 C ATOM 1857 CD2 TYR B 10 19.763 82.672 16.634 1.00 15.03 C ATOM 1858 CE1 TYR B 10 17.755 82.221 18.486 1.00 15.56 C ATOM 1859 CE2 TYR B 10 20.075 82.129 17.878 1.00 16.28 C ATOM 1860 CZ TYR B 10 19.064 81.908 18.797 1.00 17.33 C ATOM 1861 OH TYR B 10 19.359 81.380 20.035 1.00 17.43 O ATOM 1862 N THR B 11 17.997 80.272 13.665 1.00 10.60 N ATOM 1863 CA THR B 11 17.268 79.011 13.791 1.00 10.77 C ATOM 1864 C THR B 11 16.889 78.751 15.246 1.00 12.67 C ATOM 1865 O THR B 11 15.776 78.318 15.544 1.00 12.21 O ATOM 1866 CB THR B 11 18.093 77.827 13.238 1.00 11.72 C ATOM 1867 OG1 THR B 11 18.217 77.969 11.818 1.00 12.73 O ATOM 1868 CG2 THR B 11 17.432 76.489 13.550 1.00 12.01 C ATOM 1869 N GLY B 12 17.814 79.028 16.155 1.00 12.25 N ATOM 1870 CA GLY B 12 17.519 78.804 17.559 1.00 12.85 C ATOM 1871 C GLY B 12 17.879 77.408 18.023 1.00 10.77 C ATOM 1872 O GLY B 12 18.200 76.527 17.216 1.00 11.55 O ATOM 1873 N PRO B 13 17.772 77.157 19.337 1.00 11.15 N ATOM 1874 CA PRO B 13 18.090 75.870 19.958 1.00 12.25 C ATOM 1875 C PRO B 13 17.077 74.741 19.784 1.00 10.66 C ATOM 1876 O PRO B 13 17.443 73.571 19.870 1.00 10.63 O ATOM 1877 CB PRO B 13 18.272 76.249 21.425 1.00 11.64 C ATOM 1878 CG PRO B 13 17.246 77.312 21.606 1.00 10.93 C ATOM 1879 CD PRO B 13 17.404 78.157 20.354 1.00 11.55 C ATOM 1880 N CYS B 14 15.806 75.074 19.558 1.00 11.75 N ATOM 1881 CA CYS B 14 14.814 74.021 19.387 1.00 10.69 C ATOM 1882 C CYS B 14 15.017 73.271 18.082 1.00 10.78 C ATOM 1883 O CYS B 14 15.534 73.829 17.104 1.00 10.02 O ATOM 1884 CB CYS B 14 13.397 74.549 19.569 1.00 10.27 C ATOM 1885 SG CYS B 14 13.108 75.066 21.293 1.00 12.54 S ATOM 1886 N LYS B 15 14.603 72.008 18.074 1.00 9.63 N ATOM 1887 CA LYS B 15 14.829 71.136 16.933 1.00 9.10 C ATOM 1888 C LYS B 15 13.702 70.813 15.955 1.00 8.43 C ATOM 1889 O LYS B 15 13.602 69.691 15.458 1.00 9.50 O ATOM 1890 CB LYS B 15 15.523 69.863 17.420 1.00 10.99 C ATOM 1891 CG LYS B 15 16.894 70.162 18.025 1.00 10.06 C ATOM 1892 CD LYS B 15 17.534 68.947 18.672 1.00 9.48 C ATOM 1893 CE LYS B 15 18.914 69.309 19.216 1.00 10.44 C ATOM 1894 NZ LYS B 15 19.528 68.192 19.984 1.00 9.04 N ATOM 1895 N ALA B 16 12.834 71.781 15.704 1.00 10.66 N ATOM 1896 CA ALA B 16 11.789 71.568 14.711 1.00 10.05 C ATOM 1897 C ALA B 16 12.431 71.991 13.389 1.00 11.96 C ATOM 1898 O ALA B 16 13.536 72.531 13.382 1.00 11.94 O ATOM 1899 CB ALA B 16 10.577 72.453 15.013 1.00 9.18 C ATOM 1900 N ARG B 17 11.784 71.672 12.275 1.00 10.55 N ATOM 1901 CA ARG B 17 12.283 72.098 10.968 1.00 10.25 C ATOM 1902 C ARG B 17 11.103 72.804 10.315 1.00 10.71 C ATOM 1903 O ARG B 17 10.391 72.228 9.488 1.00 10.26 O ATOM 1904 CB ARG B 17 12.755 70.913 10.123 1.00 11.10 C ATOM 1905 CG ARG B 17 13.598 71.311 8.890 1.00 11.60 C ATOM 1906 CD ARG B 17 12.746 71.796 7.717 1.00 11.56 C ATOM 1907 NE ARG B 17 11.846 70.740 7.265 1.00 11.88 N ATOM 1908 CZ ARG B 17 12.183 69.781 6.407 1.00 14.08 C ATOM 1909 NH1 ARG B 17 11.301 68.849 6.081 1.00 15.21 N ATOM 1910 NH2 ARG B 17 13.375 69.790 5.822 1.00 13.69 N ATOM 1911 N ILE B 18 10.857 74.021 10.782 1.00 10.20 N ATOM 1912 CA ILE B 18 9.765 74.850 10.283 1.00 10.03 C ATOM 1913 C ILE B 18 10.317 75.841 9.274 1.00 11.88 C ATOM 1914 O ILE B 18 11.292 76.543 9.552 1.00 11.29 O ATOM 1915 CB ILE B 18 9.097 75.620 11.438 1.00 11.07 C ATOM 1916 CG1 ILE B 18 8.540 74.626 12.458 1.00 12.22 C ATOM 1917 CG2 ILE B 18 7.989 76.532 10.902 1.00 10.85 C ATOM 1918 CD1 ILE B 18 8.240 75.237 13.810 1.00 17.34 C ATOM 1919 N ILE B 19 9.706 75.886 8.094 1.00 11.12 N ATOM 1920 CA ILE B 19 10.160 76.809 7.064 1.00 12.06 C ATOM 1921 C ILE B 19 9.611 78.203 7.342 1.00 12.30 C ATOM 1922 O ILE B 19 8.395 78.428 7.343 1.00 13.37 O ATOM 1923 CB ILE B 19 9.753 76.332 5.655 1.00 12.77 C ATOM 1924 CG1 ILE B 19 10.375 74.966 5.373 1.00 15.47 C ATOM 1925 CG2 ILE B 19 10.224 77.332 4.603 1.00 15.20 C ATOM 1926 CD1 ILE B 19 9.821 74.283 4.135 1.00 19.10 C ATOM 1927 N AARG B 20 10.525 79.127 7.630 0.50 11.07 N ATOM 1928 N BARG B 20 10.522 79.133 7.601 0.50 10.80 N ATOM 1929 CA AARG B 20 10.187 80.515 7.930 0.50 10.34 C ATOM 1930 CA BARG B 20 10.159 80.510 7.892 0.50 9.85 C ATOM 1931 C AARG B 20 10.875 81.451 6.941 0.50 10.81 C ATOM 1932 C BARG B 20 10.828 81.440 6.891 0.50 10.43 C ATOM 1933 O AARG B 20 11.735 81.025 6.171 0.50 10.31 O ATOM 1934 O BARG B 20 11.610 80.996 6.050 0.50 9.84 O ATOM 1935 CB AARG B 20 10.623 80.866 9.359 0.50 12.34 C ATOM 1936 CB BARG B 20 10.593 80.870 9.316 0.50 11.73 C ATOM 1937 CG AARG B 20 9.792 80.207 10.459 0.50 13.83 C ATOM 1938 CG BARG B 20 9.896 80.051 10.396 0.50 12.43 C ATOM 1939 CD AARG B 20 8.441 80.899 10.626 0.50 15.40 C ATOM 1940 CD BARG B 20 8.414 80.390 10.461 0.50 14.33 C ATOM 1941 NE AARG B 20 7.595 80.245 11.622 0.50 17.90 N ATOM 1942 NE BARG B 20 7.695 79.602 11.459 0.50 16.91 N ATOM 1943 CZ AARG B 20 7.686 80.433 12.936 0.50 19.21 C ATOM 1944 CZ BARG B 20 7.880 79.691 12.774 0.50 17.37 C ATOM 1945 NH1AARG B 20 8.591 81.266 13.438 0.50 18.98 N ATOM 1946 NH1BARG B 20 8.770 80.539 13.275 0.50 19.45 N ATOM 1947 NH2AARG B 20 6.871 79.780 13.754 0.50 20.12 N ATOM 1948 NH2BARG B 20 7.166 78.933 13.594 0.50 18.17 N ATOM 1949 N TYR B 21 10.498 82.725 6.974 1.00 10.61 N ATOM 1950 CA TYR B 21 11.078 83.728 6.083 1.00 9.52 C ATOM 1951 C TYR B 21 11.871 84.776 6.845 1.00 10.27 C ATOM 1952 O TYR B 21 11.531 85.132 7.976 1.00 10.49 O ATOM 1953 CB TYR B 21 9.988 84.439 5.267 1.00 10.90 C ATOM 1954 CG TYR B 21 9.364 83.580 4.196 1.00 10.47 C ATOM 1955 CD1 TYR B 21 8.366 82.661 4.512 1.00 12.07 C ATOM 1956 CD2 TYR B 21 9.787 83.670 2.866 1.00 12.12 C ATOM 1957 CE1 TYR B 21 7.803 81.845 3.535 1.00 13.51 C ATOM 1958 CE2 TYR B 21 9.226 82.856 1.879 1.00 12.35 C ATOM 1959 CZ TYR B 21 8.236 81.948 2.224 1.00 13.62 C ATOM 1960 OH TYR B 21 7.672 81.132 1.266 1.00 15.39 O ATOM 1961 N PHE B 22 12.946 85.251 6.223 1.00 10.12 N ATOM 1962 CA PHE B 22 13.777 86.298 6.801 1.00 9.61 C ATOM 1963 C PHE B 22 14.152 87.243 5.676 1.00 10.31 C ATOM 1964 O PHE B 22 14.227 86.842 4.507 1.00 10.46 O ATOM 1965 CB PHE B 22 15.045 85.732 7.468 1.00 10.62 C ATOM 1966 CG PHE B 22 16.144 85.359 6.504 1.00 9.88 C ATOM 1967 CD1 PHE B 22 17.230 86.211 6.306 1.00 10.76 C ATOM 1968 CD2 PHE B 22 16.107 84.151 5.818 1.00 9.57 C ATOM 1969 CE1 PHE B 22 18.263 85.860 5.441 1.00 10.95 C ATOM 1970 CE2 PHE B 22 17.141 83.786 4.946 1.00 10.83 C ATOM 1971 CZ PHE B 22 18.221 84.645 4.760 1.00 9.63 C ATOM 1972 N TYR B 23 14.356 88.505 6.020 1.00 9.54 N ATOM 1973 CA TYR B 23 14.742 89.478 5.016 1.00 11.09 C ATOM 1974 C TYR B 23 16.254 89.419 4.842 1.00 13.06 C ATOM 1975 O TYR B 23 17.006 89.555 5.814 1.00 12.59 O ATOM 1976 CB TYR B 23 14.305 90.887 5.417 1.00 12.18 C ATOM 1977 CG TYR B 23 14.681 91.922 4.384 1.00 15.35 C ATOM 1978 CD1 TYR B 23 15.746 92.793 4.598 1.00 17.36 C ATOM 1979 CD2 TYR B 23 14.011 91.984 3.162 1.00 18.34 C ATOM 1980 CE1 TYR B 23 16.142 93.699 3.619 1.00 19.59 C ATOM 1981 CE2 TYR B 23 14.401 92.889 2.173 1.00 19.54 C ATOM 1982 CZ TYR B 23 15.465 93.738 2.409 1.00 20.37 C ATOM 1983 OH TYR B 23 15.870 94.617 1.430 1.00 23.90 O ATOM 1984 N ASN B 24 16.684 89.145 3.613 1.00 13.21 N ATOM 1985 CA ASN B 24 18.103 89.074 3.283 1.00 14.94 C ATOM 1986 C ASN B 24 18.473 90.389 2.603 1.00 16.89 C ATOM 1987 O ASN B 24 18.242 90.567 1.407 1.00 17.18 O ATOM 1988 CB ASN B 24 18.372 87.892 2.344 1.00 15.20 C ATOM 1989 CG ASN B 24 19.848 87.730 2.008 1.00 16.99 C ATOM 1990 OD1 ASN B 24 20.673 88.574 2.355 1.00 19.55 O ATOM 1991 ND2 ASN B 24 20.186 86.635 1.339 1.00 18.10 N ATOM 1992 N ALA B 25 19.047 91.308 3.376 1.00 18.31 N ATOM 1993 CA ALA B 25 19.434 92.618 2.860 1.00 20.44 C ATOM 1994 C ALA B 25 20.429 92.546 1.704 1.00 20.29 C ATOM 1995 O ALA B 25 20.412 93.399 0.817 1.00 20.49 O ATOM 1996 CB ALA B 25 19.992 93.481 3.982 1.00 20.69 C ATOM 1997 N LYS B 26 21.289 91.531 1.717 1.00 21.60 N ATOM 1998 CA LYS B 26 22.292 91.355 0.666 1.00 22.26 C ATOM 1999 C LYS B 26 21.646 91.052 -0.685 1.00 23.34 C ATOM 2000 O LYS B 26 22.076 91.571 -1.717 1.00 23.62 O ATOM 2001 CB LYS B 26 23.264 90.233 1.039 1.00 23.50 C ATOM 2002 N ALA B 27 20.615 90.211 -0.668 1.00 22.34 N ATOM 2003 CA ALA B 27 19.897 89.836 -1.880 1.00 21.03 C ATOM 2004 C ALA B 27 18.727 90.775 -2.161 1.00 20.09 C ATOM 2005 O ALA B 27 18.208 90.812 -3.274 1.00 20.14 O ATOM 2006 CB ALA B 27 19.407 88.392 -1.779 1.00 21.48 C ATOM 2007 N GLY B 28 18.314 91.535 -1.152 1.00 19.08 N ATOM 2008 CA GLY B 28 17.203 92.453 -1.326 1.00 16.84 C ATOM 2009 C GLY B 28 15.858 91.757 -1.435 1.00 18.22 C ATOM 2010 O GLY B 28 14.956 92.234 -2.127 1.00 18.58 O ATOM 2011 N LEU B 29 15.724 90.610 -0.775 1.00 16.81 N ATOM 2012 CA LEU B 29 14.469 89.875 -0.795 1.00 16.35 C ATOM 2013 C LEU B 29 14.275 88.965 0.406 1.00 14.34 C ATOM 2014 O LEU B 29 15.219 88.657 1.135 1.00 13.44 O ATOM 2015 CB LEU B 29 14.303 89.076 -2.097 1.00 20.33 C ATOM 2016 CG LEU B 29 15.433 88.229 -2.688 1.00 22.75 C ATOM 2017 CD1 LEU B 29 15.895 87.184 -1.714 1.00 24.01 C ATOM 2018 CD2 LEU B 29 14.954 87.562 -3.968 1.00 23.08 C ATOM 2019 N CYS B 30 13.021 88.594 0.634 1.00 12.71 N ATOM 2020 CA CYS B 30 12.673 87.699 1.722 1.00 11.35 C ATOM 2021 C CYS B 30 12.990 86.288 1.263 1.00 10.95 C ATOM 2022 O CYS B 30 12.541 85.847 0.200 1.00 12.05 O ATOM 2023 CB CYS B 30 11.203 87.861 2.083 1.00 11.08 C ATOM 2024 SG CYS B 30 10.938 89.428 2.961 1.00 13.46 S ATOM 2025 N AGLN B 31 13.789 85.584 2.060 0.50 10.28 N ATOM 2026 N BGLN B 31 13.759 85.588 2.088 0.50 9.07 N ATOM 2027 CA AGLN B 31 14.193 84.217 1.749 0.50 10.64 C ATOM 2028 CA BGLN B 31 14.216 84.239 1.795 0.50 8.83 C ATOM 2029 C AGLN B 31 13.724 83.257 2.832 0.50 10.42 C ATOM 2030 C BGLN B 31 13.769 83.251 2.866 0.50 9.39 C ATOM 2031 O AGLN B 31 13.358 83.675 3.929 0.50 10.65 O ATOM 2032 O BGLN B 31 13.459 83.642 3.990 0.50 9.99 O ATOM 2033 CB AGLN B 31 15.721 84.119 1.636 0.50 12.10 C ATOM 2034 CB BGLN B 31 15.748 84.266 1.707 0.50 7.83 C ATOM 2035 CG AGLN B 31 16.336 84.827 0.436 0.50 15.20 C ATOM 2036 CG BGLN B 31 16.417 82.919 1.533 0.50 8.24 C ATOM 2037 CD AGLN B 31 17.847 84.635 0.345 0.50 15.69 C ATOM 2038 OE1AGLN B 31 18.455 84.002 1.205 0.50 18.65 O ATOM 2039 NE2AGLN B 31 18.457 85.192 -0.694 0.50 17.32 N ATOM 2040 N THR B 32 13.744 81.968 2.513 1.00 9.34 N ATOM 2041 CA THR B 32 13.348 80.932 3.458 1.00 9.09 C ATOM 2042 C THR B 32 14.548 80.461 4.277 1.00 10.76 C ATOM 2043 O THR B 32 15.699 80.577 3.847 1.00 10.89 O ATOM 2044 CB THR B 32 12.741 79.705 2.752 1.00 10.54 C ATOM 2045 OG1 THR B 32 13.680 79.168 1.809 1.00 10.11 O ATOM 2046 CG2 THR B 32 11.446 80.078 2.039 1.00 11.31 C ATOM 2047 N PHE B 33 14.267 79.971 5.480 1.00 9.50 N ATOM 2048 CA PHE B 33 15.296 79.430 6.364 1.00 10.49 C ATOM 2049 C PHE B 33 14.579 78.519 7.343 1.00 11.29 C ATOM 2050 O PHE B 33 13.350 78.473 7.359 1.00 10.64 O ATOM 2051 CB PHE B 33 16.087 80.536 7.089 1.00 10.29 C ATOM 2052 CG PHE B 33 15.401 81.119 8.300 1.00 8.76 C ATOM 2053 CD1 PHE B 33 14.370 82.042 8.163 1.00 9.52 C ATOM 2054 CD2 PHE B 33 15.833 80.787 9.585 1.00 10.18 C ATOM 2055 CE1 PHE B 33 13.776 82.633 9.284 1.00 10.01 C ATOM 2056 CE2 PHE B 33 15.248 81.368 10.710 1.00 9.56 C ATOM 2057 CZ PHE B 33 14.222 82.290 10.565 1.00 9.34 C ATOM 2058 N VAL B 34 15.342 77.760 8.119 1.00 10.10 N ATOM 2059 CA VAL B 34 14.753 76.848 9.092 1.00 11.18 C ATOM 2060 C VAL B 34 14.624 77.465 10.476 1.00 12.20 C ATOM 2061 O VAL B 34 15.610 77.922 11.060 1.00 12.02 O ATOM 2062 CB VAL B 34 15.568 75.538 9.209 1.00 10.47 C ATOM 2063 CG1 VAL B 34 15.018 74.659 10.346 1.00 11.92 C ATOM 2064 CG2 VAL B 34 15.523 74.767 7.893 1.00 12.18 C ATOM 2065 N GLY B 35 13.386 77.533 10.959 1.00 10.58 N ATOM 2066 CA GLY B 35 13.127 78.037 12.296 1.00 11.06 C ATOM 2067 C GLY B 35 13.026 76.806 13.182 1.00 10.93 C ATOM 2068 O GLY B 35 12.344 75.841 12.825 1.00 10.63 O ATOM 2069 N GLY B 36 13.742 76.814 14.305 1.00 9.72 N ATOM 2070 CA GLY B 36 13.729 75.680 15.215 1.00 9.57 C ATOM 2071 C GLY B 36 12.471 75.545 16.056 1.00 9.13 C ATOM 2072 O GLY B 36 12.266 74.516 16.699 1.00 9.30 O ATOM 2073 N GLY B 37 11.656 76.594 16.096 1.00 10.06 N ATOM 2074 CA GLY B 37 10.420 76.527 16.858 1.00 10.38 C ATOM 2075 C GLY B 37 10.370 77.298 18.164 1.00 11.76 C ATOM 2076 O GLY B 37 9.312 77.357 18.803 1.00 13.59 O ATOM 2077 N CYS B 38 11.496 77.867 18.586 1.00 11.79 N ATOM 2078 CA CYS B 38 11.518 78.643 19.822 1.00 12.49 C ATOM 2079 C CYS B 38 12.580 79.733 19.814 1.00 12.95 C ATOM 2080 O CYS B 38 13.515 79.695 19.015 1.00 13.05 O ATOM 2081 CB CYS B 38 11.722 77.736 21.041 1.00 11.52 C ATOM 2082 SG CYS B 38 13.411 77.065 21.241 1.00 13.07 S ATOM 2083 N ARG B 39 12.416 80.706 20.709 1.00 13.25 N ATOM 2084 CA ARG B 39 13.347 81.826 20.849 1.00 14.09 C ATOM 2085 C ARG B 39 13.591 82.578 19.547 1.00 14.09 C ATOM 2086 O ARG B 39 14.695 83.040 19.272 1.00 13.63 O ATOM 2087 CB ARG B 39 14.671 81.337 21.437 1.00 16.06 C ATOM 2088 CG ARG B 39 14.476 80.688 22.790 1.00 21.46 C ATOM 2089 CD ARG B 39 15.781 80.417 23.492 1.00 25.86 C ATOM 2090 NE ARG B 39 15.538 80.003 24.873 1.00 29.50 N ATOM 2091 CZ ARG B 39 16.372 79.260 25.594 1.00 31.09 C ATOM 2092 NH1 ARG B 39 17.518 78.846 25.069 1.00 31.91 N ATOM 2093 NH2 ARG B 39 16.050 78.916 26.836 1.00 31.18 N ATOM 2094 N ALA B 40 12.531 82.744 18.772 1.00 12.79 N ATOM 2095 CA ALA B 40 12.631 83.434 17.499 1.00 14.39 C ATOM 2096 C ALA B 40 12.970 84.905 17.650 1.00 14.63 C ATOM 2097 O ALA B 40 12.550 85.557 18.611 1.00 14.86 O ATOM 2098 CB ALA B 40 11.319 83.290 16.733 1.00 14.27 C ATOM 2099 N LYS B 41 13.796 85.405 16.734 1.00 14.27 N ATOM 2100 CA LYS B 41 14.134 86.821 16.713 1.00 13.64 C ATOM 2101 C LYS B 41 13.071 87.442 15.801 1.00 12.71 C ATOM 2102 O LYS B 41 12.233 86.722 15.255 1.00 12.24 O ATOM 2103 CB LYS B 41 15.550 87.051 16.174 1.00 14.17 C ATOM 2104 CG LYS B 41 16.628 86.484 17.095 1.00 17.28 C ATOM 2105 CD LYS B 41 18.016 86.974 16.729 1.00 20.20 C ATOM 2106 CE LYS B 41 19.076 86.314 17.603 1.00 23.68 C ATOM 2107 NZ LYS B 41 18.816 86.497 19.062 1.00 26.19 N ATOM 2108 N ARG B 42 13.108 88.755 15.614 1.00 12.41 N ATOM 2109 CA ARG B 42 12.091 89.405 14.795 1.00 11.72 C ATOM 2110 C ARG B 42 12.181 89.231 13.282 1.00 13.13 C ATOM 2111 O ARG B 42 11.171 89.356 12.590 1.00 12.51 O ATOM 2112 CB ARG B 42 11.949 90.868 15.194 1.00 13.92 C ATOM 2113 CG ARG B 42 11.309 91.020 16.565 1.00 13.31 C ATOM 2114 CD ARG B 42 11.324 92.452 17.039 1.00 13.69 C ATOM 2115 NE ARG B 42 12.681 92.928 17.294 1.00 13.25 N ATOM 2116 CZ ARG B 42 12.980 94.170 17.656 1.00 14.50 C ATOM 2117 NH1 ARG B 42 12.019 95.073 17.808 1.00 13.95 N ATOM 2118 NH2 ARG B 42 14.249 94.513 17.858 1.00 14.33 N ATOM 2119 N ASN B 43 13.372 88.936 12.764 1.00 11.25 N ATOM 2120 CA ASN B 43 13.521 88.714 11.322 1.00 10.56 C ATOM 2121 C ASN B 43 13.208 87.227 11.092 1.00 10.11 C ATOM 2122 O ASN B 43 14.059 86.434 10.677 1.00 10.24 O ATOM 2123 CB ASN B 43 14.944 89.064 10.873 1.00 10.29 C ATOM 2124 CG ASN B 43 15.081 89.113 9.368 1.00 11.58 C ATOM 2125 OD1 ASN B 43 14.085 89.142 8.647 1.00 10.49 O ATOM 2126 ND2 ASN B 43 16.319 89.128 8.884 1.00 11.52 N ATOM 2127 N ASN B 44 11.961 86.862 11.379 1.00 10.10 N ATOM 2128 CA ASN B 44 11.486 85.486 11.278 1.00 11.18 C ATOM 2129 C ASN B 44 9.983 85.610 11.047 1.00 12.02 C ATOM 2130 O ASN B 44 9.229 85.980 11.955 1.00 12.79 O ATOM 2131 CB ASN B 44 11.785 84.766 12.605 1.00 11.89 C ATOM 2132 CG ASN B 44 11.261 83.342 12.650 1.00 12.60 C ATOM 2133 OD1 ASN B 44 10.222 83.023 12.077 1.00 13.58 O ATOM 2134 ND2 ASN B 44 11.970 82.479 13.374 1.00 12.69 N ATOM 2135 N PHE B 45 9.561 85.314 9.822 1.00 11.71 N ATOM 2136 CA PHE B 45 8.163 85.450 9.438 1.00 11.07 C ATOM 2137 C PHE B 45 7.526 84.163 8.949 1.00 12.23 C ATOM 2138 O PHE B 45 8.200 83.283 8.419 1.00 12.52 O ATOM 2139 CB PHE B 45 8.047 86.525 8.355 1.00 10.79 C ATOM 2140 CG PHE B 45 8.651 87.842 8.749 1.00 11.30 C ATOM 2141 CD1 PHE B 45 9.985 88.131 8.451 1.00 11.49 C ATOM 2142 CD2 PHE B 45 7.899 88.785 9.443 1.00 11.36 C ATOM 2143 CE1 PHE B 45 10.556 89.337 8.844 1.00 11.21 C ATOM 2144 CE2 PHE B 45 8.462 89.993 9.837 1.00 12.84 C ATOM 2145 CZ PHE B 45 9.794 90.270 9.538 1.00 11.50 C ATOM 2146 N LYS B 46 6.207 84.080 9.095 1.00 12.87 N ATOM 2147 CA LYS B 46 5.461 82.900 8.676 1.00 14.70 C ATOM 2148 C LYS B 46 5.220 82.861 7.168 1.00 13.95 C ATOM 2149 O LYS B 46 4.991 81.790 6.599 1.00 15.61 O ATOM 2150 CB LYS B 46 4.129 82.835 9.427 1.00 18.82 C ATOM 2151 CG LYS B 46 4.307 82.754 10.933 1.00 23.84 C ATOM 2152 CD LYS B 46 2.987 82.786 11.677 1.00 28.31 C ATOM 2153 CE LYS B 46 3.244 82.926 13.165 1.00 31.37 C ATOM 2154 NZ LYS B 46 3.963 84.204 13.447 1.00 34.35 N ATOM 2155 N SER B 47 5.300 84.022 6.522 1.00 14.19 N ATOM 2156 CA SER B 47 5.074 84.102 5.082 1.00 13.73 C ATOM 2157 C SER B 47 5.923 85.179 4.424 1.00 12.85 C ATOM 2158 O SER B 47 6.425 86.091 5.087 1.00 11.29 O ATOM 2159 CB SER B 47 3.599 84.413 4.801 1.00 13.24 C ATOM 2160 OG SER B 47 3.290 85.746 5.181 1.00 14.24 O ATOM 2161 N ALA B 48 6.055 85.078 3.105 1.00 12.40 N ATOM 2162 CA ALA B 48 6.809 86.060 2.337 1.00 12.75 C ATOM 2163 C ALA B 48 6.114 87.417 2.434 1.00 13.52 C ATOM 2164 O ALA B 48 6.769 88.459 2.508 1.00 13.98 O ATOM 2165 CB ALA B 48 6.908 85.621 0.881 1.00 14.06 C ATOM 2166 N GLU B 49 4.780 87.393 2.450 1.00 12.96 N ATOM 2167 CA GLU B 49 3.985 88.614 2.541 1.00 12.94 C ATOM 2168 C GLU B 49 4.247 89.369 3.842 1.00 11.33 C ATOM 2169 O GLU B 49 4.425 90.585 3.826 1.00 12.39 O ATOM 2170 CB GLU B 49 2.487 88.301 2.402 1.00 14.25 C ATOM 2171 CG GLU B 49 2.041 87.904 0.989 1.00 17.18 C ATOM 2172 CD GLU B 49 2.467 86.500 0.571 1.00 19.94 C ATOM 2173 OE1 GLU B 49 2.776 85.659 1.443 1.00 19.75 O ATOM 2174 OE2 GLU B 49 2.463 86.224 -0.648 1.00 22.58 O ATOM 2175 N ASP B 50 4.278 88.649 4.964 1.00 11.96 N ATOM 2176 CA ASP B 50 4.542 89.283 6.260 1.00 11.96 C ATOM 2177 C ASP B 50 5.946 89.882 6.266 1.00 11.19 C ATOM 2178 O ASP B 50 6.166 90.994 6.746 1.00 11.57 O ATOM 2179 CB ASP B 50 4.442 88.261 7.396 1.00 12.78 C ATOM 2180 CG ASP B 50 3.004 87.910 7.762 1.00 15.11 C ATOM 2181 OD1 ASP B 50 2.056 88.517 7.224 1.00 16.03 O ATOM 2182 OD2 ASP B 50 2.827 87.016 8.609 1.00 16.33 O ATOM 2183 N CYS B 51 6.892 89.118 5.734 1.00 11.08 N ATOM 2184 CA CYS B 51 8.278 89.551 5.671 1.00 11.50 C ATOM 2185 C CYS B 51 8.441 90.815 4.824 1.00 11.78 C ATOM 2186 O CYS B 51 9.076 91.777 5.257 1.00 12.59 O ATOM 2187 CB CYS B 51 9.148 88.412 5.141 1.00 11.37 C ATOM 2188 SG CYS B 51 10.897 88.851 4.906 1.00 13.74 S ATOM 2189 N MET B 52 7.832 90.829 3.638 1.00 13.21 N ATOM 2190 CA MET B 52 7.920 91.989 2.749 1.00 13.72 C ATOM 2191 C MET B 52 7.263 93.235 3.340 1.00 13.31 C ATOM 2192 O MET B 52 7.769 94.346 3.193 1.00 14.17 O ATOM 2193 CB MET B 52 7.281 91.682 1.391 1.00 16.58 C ATOM 2194 CG MET B 52 8.037 90.669 0.552 1.00 19.78 C ATOM 2195 SD MET B 52 7.373 90.601 -1.132 1.00 27.99 S ATOM 2196 CE MET B 52 6.048 89.430 -0.925 1.00 26.28 C ATOM 2197 N ARG B 53 6.127 93.044 4.002 1.00 13.37 N ATOM 2198 CA ARG B 53 5.404 94.158 4.608 1.00 13.44 C ATOM 2199 C ARG B 53 6.213 94.806 5.727 1.00 13.86 C ATOM 2200 O ARG B 53 6.270 96.028 5.840 1.00 14.54 O ATOM 2201 CB ARG B 53 4.067 93.666 5.168 1.00 13.83 C ATOM 2202 CG ARG B 53 3.145 94.765 5.689 1.00 14.20 C ATOM 2203 CD ARG B 53 1.874 94.167 6.292 1.00 16.39 C ATOM 2204 NE ARG B 53 1.298 93.157 5.408 1.00 16.68 N ATOM 2205 CZ ARG B 53 1.209 91.862 5.698 1.00 15.66 C ATOM 2206 NH1 ARG B 53 1.638 91.394 6.863 1.00 17.27 N ATOM 2207 NH2 ARG B 53 0.766 91.017 4.782 1.00 17.75 N ATOM 2208 N THR B 54 6.877 93.969 6.517 1.00 15.01 N ATOM 2209 CA THR B 54 7.662 94.427 7.656 1.00 15.16 C ATOM 2210 C THR B 54 9.081 94.894 7.341 1.00 15.30 C ATOM 2211 O THR B 54 9.538 95.906 7.879 1.00 16.64 O ATOM 2212 CB THR B 54 7.750 93.308 8.719 1.00 15.18 C ATOM 2213 OG1 THR B 54 6.431 92.854 9.047 1.00 16.45 O ATOM 2214 CG2 THR B 54 8.436 93.805 9.988 1.00 14.84 C ATOM 2215 N CYS B 55 9.753 94.180 6.444 1.00 15.01 N ATOM 2216 CA CYS B 55 11.145 94.471 6.109 1.00 16.40 C ATOM 2217 C CYS B 55 11.482 94.879 4.682 1.00 19.91 C ATOM 2218 O CYS B 55 12.644 95.174 4.382 1.00 19.76 O ATOM 2219 CB CYS B 55 11.999 93.266 6.497 1.00 14.51 C ATOM 2220 SG CYS B 55 12.114 93.009 8.294 1.00 13.69 S ATOM 2221 N GLY B 56 10.487 94.889 3.800 1.00 20.68 N ATOM 2222 CA GLY B 56 10.737 95.267 2.419 1.00 24.77 C ATOM 2223 C GLY B 56 11.453 96.601 2.292 1.00 26.29 C ATOM 2224 O GLY B 56 11.100 97.572 2.965 1.00 27.17 O ATOM 2225 N GLY B 57 12.498 96.632 1.471 1.00 29.44 N ATOM 2226 CA GLY B 57 13.247 97.861 1.266 1.00 31.14 C ATOM 2227 C GLY B 57 14.263 98.224 2.335 1.00 32.39 C ATOM 2228 O GLY B 57 14.828 99.320 2.302 1.00 33.13 O ATOM 2229 N ALA B 58 14.495 97.324 3.288 1.00 31.11 N ATOM 2230 CA ALA B 58 15.468 97.582 4.349 1.00 31.32 C ATOM 2231 C ALA B 58 16.896 97.532 3.799 1.00 31.29 C ATOM 2232 O ALA B 58 17.789 98.139 4.426 1.00 32.09 O ATOM 2233 CB ALA B 58 15.300 96.575 5.481 1.00 30.70 C ATOM 2234 OXT ALA B 58 17.104 96.896 2.743 1.00 31.20 O TER 2235 ALA B 58 HETATM 2236 NA NA A2001 11.818 52.429 2.487 1.00 47.21 NA HETATM 2237 S SO4 A2006 22.513 75.389 37.522 1.00 46.34 S HETATM 2238 O1 SO4 A2006 21.290 74.584 37.335 1.00 47.35 O HETATM 2239 O2 SO4 A2006 22.155 76.719 38.052 1.00 46.46 O HETATM 2240 O3 SO4 A2006 23.410 74.705 38.473 1.00 47.36 O HETATM 2241 O4 SO4 A2006 23.201 75.545 36.228 1.00 47.23 O HETATM 2242 S SO4 A2010 1.379 78.540 11.882 0.50 40.98 S HETATM 2243 O1 SO4 A2010 2.635 79.070 12.445 0.50 40.51 O HETATM 2244 O2 SO4 A2010 1.685 77.488 10.895 0.50 40.18 O HETATM 2245 O3 SO4 A2010 0.642 79.632 11.220 0.50 40.72 O HETATM 2246 O4 SO4 A2010 0.551 77.977 12.966 0.50 40.11 O HETATM 2247 S SO4 A2011 18.379 58.697 3.072 1.00 45.01 S HETATM 2248 O1 SO4 A2011 17.184 58.315 3.851 1.00 44.93 O HETATM 2249 O2 SO4 A2011 18.399 60.166 2.890 1.00 46.10 O HETATM 2250 O3 SO4 A2011 19.603 58.274 3.788 1.00 44.28 O HETATM 2251 O4 SO4 A2011 18.331 58.039 1.753 1.00 45.01 O HETATM 2252 S ASO4 A2012 7.620 77.801 34.509 0.66 41.73 S HETATM 2253 S BSO4 A2012 8.359 72.709 37.641 0.33 38.66 S HETATM 2254 O1 ASO4 A2012 7.591 76.482 33.855 0.66 40.94 O HETATM 2255 O1 BSO4 A2012 7.749 71.692 36.764 0.33 38.92 O HETATM 2256 O2 ASO4 A2012 8.791 77.885 35.399 0.66 41.65 O HETATM 2257 O2 BSO4 A2012 8.602 72.127 38.975 0.33 39.28 O HETATM 2258 O3 ASO4 A2012 7.701 78.859 33.485 0.66 41.85 O HETATM 2259 O3 BSO4 A2012 9.639 73.160 37.061 0.33 38.74 O HETATM 2260 O4 ASO4 A2012 6.390 77.985 35.301 0.66 42.19 O HETATM 2261 O4 BSO4 A2012 7.446 73.861 37.770 0.33 39.38 O HETATM 2262 CA CA A2002 6.075 57.437 2.666 1.00 19.01 CA HETATM 2263 C1 EDO A1001 16.121 49.546 15.621 1.00 35.37 C HETATM 2264 O1 EDO A1001 17.516 49.473 15.943 1.00 34.42 O HETATM 2265 C2 EDO A1001 15.744 49.381 14.148 1.00 34.18 C HETATM 2266 O2 EDO A1001 16.839 49.080 13.264 1.00 35.92 O HETATM 2267 C1 EDO A1002 22.053 76.605 18.641 1.00 35.14 C HETATM 2268 O1 EDO A1002 21.143 75.587 18.206 1.00 33.63 O HETATM 2269 C2 EDO A1002 21.461 77.771 19.432 1.00 35.66 C HETATM 2270 O2 EDO A1002 20.821 78.785 18.638 1.00 35.86 O HETATM 2271 C1 EDO A1003 16.740 61.286 33.586 1.00 33.51 C HETATM 2272 O1 EDO A1003 15.779 60.582 34.384 1.00 34.65 O HETATM 2273 C2 EDO A1003 17.614 62.316 34.303 1.00 33.46 C HETATM 2274 O2 EDO A1003 16.953 63.546 34.658 1.00 33.48 O HETATM 2275 C1 EDO A1004 21.029 78.646 23.092 1.00 43.08 C HETATM 2276 O1 EDO A1004 19.869 79.348 23.561 1.00 43.57 O HETATM 2277 C2 EDO A1004 21.248 77.225 23.625 1.00 42.56 C HETATM 2278 O2 EDO A1004 21.959 77.130 24.876 1.00 42.90 O HETATM 2279 S SO4 B2004 16.078 91.071 17.289 1.00 17.08 S HETATM 2280 O1 SO4 B2004 14.671 90.808 16.929 1.00 18.60 O HETATM 2281 O2 SO4 B2004 16.246 92.503 17.589 1.00 19.03 O HETATM 2282 O3 SO4 B2004 16.417 90.266 18.480 1.00 20.32 O HETATM 2283 O4 SO4 B2004 16.965 90.678 16.180 1.00 17.71 O HETATM 2284 S SO4 B2005 13.858 98.134 19.456 1.00 35.05 S HETATM 2285 O1 SO4 B2005 13.643 97.285 18.271 1.00 36.88 O HETATM 2286 O2 SO4 B2005 12.640 98.917 19.727 1.00 36.52 O HETATM 2287 O3 SO4 B2005 14.980 99.056 19.193 1.00 35.62 O HETATM 2288 O4 SO4 B2005 14.169 97.289 20.625 1.00 36.50 O HETATM 2289 S SO4 B2007 21.525 79.530 14.546 1.00 34.67 S HETATM 2290 O1 SO4 B2007 20.657 79.316 15.722 1.00 28.98 O HETATM 2291 O2 SO4 B2007 22.629 80.442 14.910 1.00 33.62 O HETATM 2292 O3 SO4 B2007 20.750 80.130 13.437 1.00 32.79 O HETATM 2293 O4 SO4 B2007 22.073 78.230 14.108 1.00 33.71 O HETATM 2294 S SO4 B2008 13.567 104.363 22.340 0.50 39.64 S HETATM 2295 O1 SO4 B2008 14.435 103.175 22.263 0.50 39.76 O HETATM 2296 O2 SO4 B2008 13.817 105.067 23.607 0.50 38.55 O HETATM 2297 O3 SO4 B2008 13.863 105.270 21.215 0.50 39.50 O HETATM 2298 O4 SO4 B2008 12.156 103.941 22.277 0.50 38.97 O HETATM 2299 S SO4 B2009 13.264 105.934 15.499 0.50 39.94 S HETATM 2300 O1 SO4 B2009 13.077 106.335 16.905 0.50 40.22 O HETATM 2301 O2 SO4 B2009 13.097 104.474 15.380 0.50 39.78 O HETATM 2302 O3 SO4 B2009 14.620 106.310 15.057 0.50 40.17 O HETATM 2303 O4 SO4 B2009 12.267 106.621 14.656 0.50 38.93 O HETATM 2304 CA CA B2003 15.134 81.736 0.000 0.50 16.47 CA HETATM 2305 O HOH A 306 11.645 62.618 15.565 1.00 10.89 O HETATM 2306 O HOH A 307 21.233 63.427 21.830 1.00 11.50 O HETATM 2307 O HOH A 309 5.470 62.257 4.523 1.00 15.26 O HETATM 2308 O HOH A 311 21.897 69.392 20.704 1.00 13.01 O HETATM 2309 O HOH A 312 17.377 62.051 10.764 1.00 12.17 O HETATM 2310 O HOH A 313 20.134 64.877 32.397 1.00 15.60 O HETATM 2311 O HOH A 314 5.235 57.496 10.533 1.00 14.19 O HETATM 2312 O HOH A 315 11.280 63.488 12.923 1.00 12.15 O HETATM 2313 O HOH A 317 12.702 55.756 19.180 1.00 13.95 O HETATM 2314 O HOH A 318 13.692 64.629 6.229 1.00 16.67 O HETATM 2315 O HOH A 319 9.561 52.962 11.694 1.00 17.38 O HETATM 2316 O HOH A 320 27.555 63.497 20.343 1.00 19.77 O HETATM 2317 O HOH A 323 25.187 69.878 20.062 1.00 12.35 O HETATM 2318 O HOH A 325 -0.030 49.010 19.260 1.00 21.87 O HETATM 2319 O HOH A 327 25.946 66.476 21.038 1.00 16.80 O HETATM 2320 O HOH A 328 5.686 64.441 6.452 1.00 13.64 O HETATM 2321 O HOH A 330 23.607 54.297 17.322 1.00 17.76 O HETATM 2322 O HOH A 331 10.255 53.623 9.074 1.00 20.26 O HETATM 2323 O HOH A 332 11.357 60.410 31.553 1.00 17.87 O HETATM 2324 O HOH A 337 10.561 70.395 29.550 1.00 15.49 O HETATM 2325 O HOH A 341 17.536 67.225 21.880 1.00 13.55 O HETATM 2326 O HOH A 342 17.522 73.733 5.468 1.00 21.84 O HETATM 2327 O HOH A 343 14.594 53.709 8.016 1.00 19.55 O HETATM 2328 O HOH A 344 24.952 64.066 22.068 1.00 12.87 O HETATM 2329 O HOH A 348 14.805 52.368 5.503 1.00 23.42 O HETATM 2330 O HOH A 349 2.015 64.405 35.618 1.00 20.94 O HETATM 2331 O HOH A 350 22.212 59.741 11.105 1.00 18.79 O HETATM 2332 O HOH A 351 15.790 76.978 30.476 1.00 22.58 O HETATM 2333 O HOH A 352 3.902 55.057 12.726 1.00 15.52 O HETATM 2334 O HOH A 354 -5.719 61.602 37.231 1.00 18.29 O HETATM 2335 O HOH A 358 -3.808 60.303 35.564 1.00 18.65 O HETATM 2336 O HOH A 360 25.044 55.241 15.055 1.00 18.66 O HETATM 2337 O HOH A 361 25.133 61.650 10.272 1.00 20.37 O HETATM 2338 O HOH A 363 6.151 52.629 10.944 1.00 19.87 O HETATM 2339 O HOH A 364 12.517 71.278 27.340 1.00 17.23 O HETATM 2340 O HOH A 365 21.387 73.607 14.944 1.00 17.79 O HETATM 2341 O HOH A 366 23.191 55.749 36.910 1.00 23.86 O HETATM 2342 O HOH A 367 25.736 72.310 15.269 1.00 18.17 O HETATM 2343 O HOH A 369 6.128 68.993 1.000 1.00 23.92 O HETATM 2344 O HOH A 370 21.261 74.091 34.223 1.00 21.90 O HETATM 2345 O HOH A 372 0.411 76.706 27.434 1.00 26.92 O HETATM 2346 O HOH A 374 20.336 63.401 5.205 1.00 23.77 O HETATM 2347 O HOH A 379 7.563 61.888 21.530 1.00 15.46 O HETATM 2348 O HOH A 380 20.187 72.039 11.634 1.00 15.13 O HETATM 2349 O HOH A 381 7.444 55.165 11.329 1.00 16.69 O HETATM 2350 O HOH A 385 18.406 67.522 2.200 1.00 23.44 O HETATM 2351 O HOH A 387 -2.276 58.212 36.646 1.00 20.23 O HETATM 2352 O HOH A 392 24.010 51.510 17.255 1.00 29.87 O HETATM 2353 O HOH A 395 8.087 77.774 21.264 1.00 24.71 O HETATM 2354 O HOH A 399 -4.041 70.542 31.473 1.00 26.53 O HETATM 2355 O HOH A 405 6.789 55.392 3.729 1.00 20.70 O HETATM 2356 O HOH A 409 4.905 59.389 2.373 1.00 20.75 O HETATM 2357 O HOH A 414 25.456 54.859 19.512 1.00 22.21 O HETATM 2358 O HOH A 415 -5.207 52.048 21.356 1.00 26.02 O HETATM 2359 O AHOH A 417 1.949 68.449 34.596 0.50 10.57 O HETATM 2360 O BHOH A 417 3.434 67.302 35.640 0.50 26.40 O HETATM 2361 O HOH A 421 3.523 76.289 21.538 1.00 23.48 O HETATM 2362 O HOH A 425 -0.590 51.239 8.072 1.00 27.03 O HETATM 2363 O HOH A 426 27.779 66.442 23.155 1.00 25.38 O HETATM 2364 O HOH A 430 4.925 53.306 4.332 1.00 21.44 O HETATM 2365 O HOH A 431 5.731 49.855 19.756 1.00 24.08 O HETATM 2366 O HOH A 432 3.320 72.194 0.711 1.00 25.80 O HETATM 2367 O HOH A 435 28.728 67.955 30.854 1.00 28.10 O HETATM 2368 O HOH A 440 -0.026 47.501 16.802 1.00 28.93 O HETATM 2369 O HOH A 442 0.030 68.058 3.831 1.00 24.33 O HETATM 2370 O HOH A 445 29.564 69.888 28.896 1.00 27.24 O HETATM 2371 O HOH A 446 23.523 71.309 11.452 1.00 28.28 O HETATM 2372 O HOH A 450 5.181 59.970 -3.614 1.00 29.04 O HETATM 2373 O HOH A 452 2.152 48.589 21.063 1.00 25.74 O HETATM 2374 O HOH A 454 6.590 51.019 4.581 1.00 27.77 O HETATM 2375 O HOH A 455 13.758 59.355 32.655 1.00 24.84 O HETATM 2376 O HOH A 459 11.983 50.878 20.080 1.00 29.60 O HETATM 2377 O HOH A 460 0.926 54.127 25.621 1.00 24.48 O HETATM 2378 O HOH A 462 23.731 73.411 13.469 1.00 33.62 O HETATM 2379 O HOH A 464 6.052 74.303 35.644 1.00 32.14 O HETATM 2380 O HOH A 465 4.705 57.605 -5.163 1.00 32.20 O HETATM 2381 O HOH A 466 5.084 76.691 7.856 1.00 29.10 O HETATM 2382 O HOH A 467 32.065 70.007 18.216 1.00 34.07 O HETATM 2383 O HOH A 468 9.256 52.623 33.322 1.00 29.88 O HETATM 2384 O HOH A 472 -8.406 56.459 10.704 1.00 25.85 O HETATM 2385 O HOH A 477 -3.097 71.316 14.482 1.00 31.84 O HETATM 2386 O HOH A 478 -6.251 55.165 8.997 1.00 29.66 O HETATM 2387 O HOH A 479 20.812 69.088 1.601 1.00 29.18 O HETATM 2388 O HOH A 484 21.025 50.338 29.226 1.00 36.21 O HETATM 2389 O HOH A 488 -3.325 73.854 27.314 1.00 32.99 O HETATM 2390 O HOH A 489 9.978 80.764 22.059 1.00 24.64 O HETATM 2391 O HOH A 496 -9.293 59.257 25.727 1.00 28.39 O HETATM 2392 O HOH A 498 25.073 76.745 25.107 1.00 36.89 O HETATM 2393 O HOH A 506 12.667 52.980 30.677 1.00 24.21 O HETATM 2394 O HOH A 509 -5.714 57.877 29.432 1.00 24.93 O HETATM 2395 O HOH A 510 10.561 57.541 39.293 1.00 28.52 O HETATM 2396 O HOH A 512 8.553 67.112 3.955 1.00 27.23 O HETATM 2397 O HOH A 517 22.680 53.253 7.809 1.00 32.89 O HETATM 2398 O HOH A 518 4.940 66.855 2.556 1.00 25.50 O HETATM 2399 O HOH A 522 13.704 50.014 23.788 1.00 30.96 O HETATM 2400 O HOH A 523 16.423 50.610 25.057 1.00 32.57 O HETATM 2401 O HOH A 527 -7.917 63.013 8.475 1.00 31.38 O HETATM 2402 O HOH A 531 13.549 73.185 38.225 1.00 36.06 O HETATM 2403 O HOH A 532 23.628 59.550 8.486 1.00 36.52 O HETATM 2404 O HOH A 534 12.002 63.950 38.073 1.00 31.29 O HETATM 2405 O HOH A 535 -10.678 60.403 17.308 1.00 28.63 O HETATM 2406 O AHOH A 536 -9.980 60.844 23.378 0.50 22.99 O HETATM 2407 O BHOH A 536 -9.648 59.436 22.741 0.50 29.35 O HETATM 2408 O HOH A 541 16.531 67.079 35.282 1.00 29.65 O HETATM 2409 O HOH A 542 5.859 49.783 24.524 1.00 30.37 O HETATM 2410 O HOH A 543 -9.258 66.420 34.462 1.00 30.97 O HETATM 2411 O HOH A 546 29.020 62.274 13.282 1.00 27.82 O HETATM 2412 O HOH A 551 31.356 72.711 21.401 1.00 30.33 O HETATM 2413 O AHOH A 556 19.005 73.664 8.079 0.50 29.58 O HETATM 2414 O BHOH A 556 18.202 73.251 10.039 0.50 14.93 O HETATM 2415 O HOH A 560 24.450 62.829 6.231 1.00 33.54 O HETATM 2416 O HOH A 561 3.336 61.595 36.750 1.00 35.05 O HETATM 2417 O HOH A 563 13.280 59.127 -2.365 1.00 29.86 O HETATM 2418 O HOH A 565 17.160 68.865 37.316 1.00 38.57 O HETATM 2419 O HOH A 568 14.662 65.996 37.100 1.00 29.17 O HETATM 2420 O HOH A 571 26.361 70.577 37.710 1.00 31.17 O HETATM 2421 O AHOH A 573 4.193 77.309 18.640 0.50 28.66 O HETATM 2422 O BHOH A 573 5.415 77.806 20.202 0.50 30.00 O HETATM 2423 O HOH A 574 -9.821 61.275 9.606 1.00 34.47 O HETATM 2424 O HOH A 576 28.389 57.806 14.265 1.00 35.07 O HETATM 2425 O HOH A 578 -6.512 49.101 15.247 1.00 32.89 O HETATM 2426 O HOH A 582 14.051 49.098 4.938 1.00 35.66 O HETATM 2427 O HOH A 588 -5.442 69.490 11.904 1.00 29.37 O HETATM 2428 O HOH A 590 10.190 83.361 32.097 1.00 39.97 O HETATM 2429 O HOH A 596 -11.791 69.072 24.408 1.00 37.97 O HETATM 2430 O HOH A 609 5.556 74.904 15.500 1.00 28.78 O HETATM 2431 O HOH A 615 5.098 61.818 0.685 1.00 37.28 O HETATM 2432 O HOH A 618 4.232 54.746 -4.790 1.00 35.96 O HETATM 2433 O HOH A 621 -14.475 63.576 12.141 1.00 31.33 O HETATM 2434 O HOH A 625 31.547 67.862 28.600 1.00 33.51 O HETATM 2435 O HOH A 627 16.361 52.367 3.147 1.00 35.26 O HETATM 2436 O HOH A 633 26.210 58.009 10.893 1.00 36.53 O HETATM 2437 O HOH A 635 -2.888 73.979 22.844 1.00 29.70 O HETATM 2438 O HOH A 639 1.213 53.665 28.478 1.00 33.24 O HETATM 2439 O HOH A 640 2.632 75.581 6.959 1.00 32.86 O HETATM 2440 O HOH A 641 10.322 49.640 21.985 1.00 33.78 O HETATM 2441 O AHOH A 649 -7.818 54.983 21.666 0.50 31.82 O HETATM 2442 O BHOH A 649 -8.029 56.486 22.697 0.50 28.33 O HETATM 2443 O HOH A 652 0.373 55.087 35.230 1.00 37.43 O HETATM 2444 O HOH A 658 5.186 80.930 27.397 1.00 34.74 O HETATM 2445 O HOH A 661 4.487 56.708 36.040 1.00 36.18 O HETATM 2446 O HOH A 662 16.733 53.155 33.842 1.00 41.51 O HETATM 2447 O HOH A 665 6.866 58.154 35.966 1.00 32.28 O HETATM 2448 O HOH A 669 14.547 61.086 37.957 1.00 35.17 O HETATM 2449 O HOH A 670 10.864 66.421 2.479 1.00 40.35 O HETATM 2450 O HOH A 675 -4.885 72.357 29.239 1.00 38.52 O HETATM 2451 O AHOH A 676 5.487 70.891 35.599 0.50 30.15 O HETATM 2452 O BHOH A 676 5.934 68.964 35.739 0.50 30.59 O HETATM 2453 O HOH A 677 13.436 67.485 8.857 1.00 30.93 O HETATM 2454 O HOH A 680 -5.448 73.942 16.867 1.00 36.10 O HETATM 2455 O HOH A 683 5.373 47.242 18.346 1.00 40.62 O HETATM 2456 O HOH A 684 1.257 50.917 24.104 1.00 36.80 O HETATM 2457 O HOH A 686 -5.633 68.166 32.074 1.00 35.20 O HETATM 2458 O HOH A 693 -4.491 55.690 30.864 1.00 34.32 O HETATM 2459 O HOH A 695 15.115 77.831 33.452 1.00 33.31 O HETATM 2460 O HOH A 696 12.138 59.972 39.961 1.00 40.37 O HETATM 2461 O HOH A 697 27.963 61.898 10.627 1.00 38.82 O HETATM 2462 O HOH A 698 13.094 54.421 0.114 1.00 35.01 O HETATM 2463 O HOH A 715 20.758 60.589 4.441 1.00 37.35 O HETATM 2464 O HOH A 719 -2.512 51.101 21.890 1.00 34.45 O HETATM 2465 O HOH A 725 2.209 45.704 17.285 1.00 39.15 O HETATM 2466 O HOH A 730 8.010 58.892 38.492 1.00 36.23 O HETATM 2467 O HOH A 731 -4.667 67.464 34.966 1.00 34.79 O HETATM 2468 O HOH A 733 -5.508 64.359 6.603 1.00 38.24 O HETATM 2469 O HOH A 734 -2.332 48.329 20.874 1.00 39.13 O HETATM 2470 O HOH A 737 17.069 71.791 37.552 1.00 35.49 O HETATM 2471 O HOH A 754 22.015 53.301 37.997 1.00 37.69 O HETATM 2472 O HOH A 756 30.017 60.151 19.012 1.00 36.31 O HETATM 2473 O HOH A 760 -8.087 51.468 15.635 1.00 37.01 O HETATM 2474 O HOH A 762 -12.731 62.172 10.075 1.00 37.05 O HETATM 2475 O HOH A 764 13.816 65.231 2.637 1.00 36.07 O HETATM 2476 O HOH A 768 7.391 47.216 6.411 1.00 35.70 O HETATM 2477 O HOH A 770 8.856 50.531 2.733 1.00 40.00 O HETATM 2478 O HOH A 776 32.941 73.149 24.278 1.00 38.35 O HETATM 2479 O HOH A 778 -6.405 72.272 12.216 1.00 35.20 O HETATM 2480 O HOH A 782 10.390 77.891 33.545 1.00 35.03 O HETATM 2481 O HOH A 783 -8.956 52.156 18.262 1.00 36.00 O HETATM 2482 O HOH A 784 25.784 53.944 29.548 1.00 37.79 O HETATM 2483 O HOH A 794 8.602 61.759 38.274 1.00 36.18 O HETATM 2484 O HOH B 302 14.624 77.267 17.952 1.00 10.11 O HETATM 2485 O HOH B 305 18.263 77.622 7.952 1.00 14.42 O HETATM 2486 O HOH B 308 15.647 85.202 12.529 1.00 10.68 O HETATM 2487 O HOH B 310 14.542 83.630 14.505 1.00 12.67 O HETATM 2488 O HOH B 321 17.257 87.345 13.154 1.00 13.18 O HETATM 2489 O HOH B 322 19.736 72.860 18.225 1.00 13.18 O HETATM 2490 O HOH B 324 16.058 89.860 13.819 1.00 12.81 O HETATM 2491 O HOH B 326 13.971 80.695 16.302 1.00 12.60 O HETATM 2492 O HOH B 334 5.149 86.505 10.185 1.00 15.80 O HETATM 2493 O HOH B 353 11.741 79.348 15.061 1.00 15.69 O HETATM 2494 O HOH B 375 3.381 92.233 1.920 1.00 20.56 O HETATM 2495 O HOH B 384 20.764 95.012 12.550 1.00 25.46 O HETATM 2496 O HOH B 388 4.660 82.905 1.642 1.00 21.97 O HETATM 2497 O HOH B 389 16.373 84.816 20.575 1.00 25.09 O HETATM 2498 O HOH B 393 20.416 76.221 15.648 1.00 22.75 O HETATM 2499 O HOH B 396 20.731 86.241 14.425 1.00 23.17 O HETATM 2500 O HOH B 412 0.655 90.627 -1.211 1.00 22.91 O HETATM 2501 O HOH B 423 4.324 94.889 1.352 1.00 29.37 O HETATM 2502 O HOH B 433 14.821 72.437 5.019 1.00 19.73 O HETATM 2503 O HOH B 439 22.384 82.861 10.434 1.00 30.69 O HETATM 2504 O HOH B 441 0.705 92.708 2.483 1.00 24.26 O HETATM 2505 O HOH B 447 18.144 93.954 15.987 1.00 26.84 O HETATM 2506 O AHOH B 448 5.329 78.978 10.258 0.50 14.31 O HETATM 2507 O BHOH B 448 6.054 79.389 8.132 0.50 17.37 O HETATM 2508 O HOH B 451 11.046 89.798 -1.035 1.00 26.91 O HETATM 2509 O HOH B 471 18.658 76.369 5.434 1.00 24.87 O HETATM 2510 O HOH B 475 13.893 68.513 3.090 1.00 29.32 O HETATM 2511 O HOH B 483 1.385 88.178 -2.456 1.00 32.24 O HETATM 2512 O HOH B 491 11.241 98.062 7.981 1.00 29.46 O HETATM 2513 O HOH B 495 12.161 66.488 4.966 1.00 32.79 O HETATM 2514 O AHOH B 505 19.378 90.922 6.265 0.50 7.97 O HETATM 2515 O BHOH B 505 19.758 89.268 6.890 0.50 17.87 O HETATM 2516 O HOH B 507 11.311 99.892 17.587 1.00 21.04 O HETATM 2517 O HOH B 511 18.486 80.288 3.998 1.00 28.90 O HETATM 2518 O BHOH B 513 17.031 79.961 1.318 1.00 28.65 O HETATM 2519 O AHOH B 519 19.966 79.877 8.434 0.50 17.08 O HETATM 2520 O BHOH B 519 19.510 80.297 10.391 0.50 17.28 O HETATM 2521 O HOH B 524 14.664 97.553 14.018 1.00 31.00 O HETATM 2522 O HOH B 528 4.595 94.948 8.915 1.00 23.96 O HETATM 2523 O HOH B 549 22.089 83.138 13.694 1.00 35.54 O HETATM 2524 O HOH B 554 6.843 77.072 17.483 1.00 35.41 O HETATM 2525 O HOH B 558 20.852 98.803 11.674 1.00 38.47 O HETATM 2526 O HOH B 562 19.712 90.145 17.187 1.00 35.38 O HETATM 2527 O HOH B 584 19.386 75.911 9.867 1.00 32.22 O HETATM 2528 O HOH B 591 22.116 81.042 20.643 1.00 38.74 O HETATM 2529 O HOH B 592 14.871 98.756 23.017 1.00 32.16 O HETATM 2530 O HOH B 593 5.244 77.176 13.556 1.00 29.16 O HETATM 2531 O HOH B 599 11.492 88.215 18.899 1.00 35.46 O HETATM 2532 O HOH B 601 9.246 80.163 16.573 1.00 20.39 O HETATM 2533 O HOH B 604 9.598 81.556 19.133 1.00 29.39 O HETATM 2534 O HOH B 606 12.842 98.111 16.038 1.00 32.94 O HETATM 2535 O HOH B 607 13.733 101.217 23.829 1.00 31.12 O HETATM 2536 O HOH B 626 -0.067 88.501 5.034 1.00 28.88 O HETATM 2537 O HOH B 628 20.301 81.163 5.931 1.00 32.21 O HETATM 2538 O HOH B 643 14.164 89.357 19.673 1.00 35.57 O HETATM 2539 O HOH B 650 22.806 96.712 11.322 1.00 36.76 O HETATM 2540 O AHOH B 654 8.716 90.145 13.733 0.50 32.25 O HETATM 2541 O BHOH B 654 8.480 88.800 13.262 0.50 29.55 O HETATM 2542 O HOH B 663 0.527 85.691 5.097 1.00 37.86 O HETATM 2543 O HOH B 667 9.473 86.394 15.029 1.00 30.25 O HETATM 2544 O HOH B 685 17.888 99.759 7.718 1.00 35.66 O HETATM 2545 O HOH B 694 24.414 91.495 -3.371 1.00 36.66 O HETATM 2546 O HOH B 701 16.194 103.267 24.155 1.00 34.67 O HETATM 2547 O HOH B 739 13.933 98.896 7.374 1.00 37.85 O HETATM 2548 O HOH B 743 20.237 100.277 9.251 1.00 40.22 O HETATM 2549 O HOH B 752 23.020 86.406 0.450 1.00 39.48 O HETATM 2550 O HOH B 772 10.171 86.937 -1.033 1.00 31.86 O HETATM 2551 O HOH B 780 18.106 77.061 27.154 1.00 38.11 O HETATM 2552 O HOH B 792 23.411 83.690 7.799 1.00 37.06 O CONECT 48 1112 CONECT 185 298 CONECT 298 185 CONECT 416 2262 CONECT 424 2236 CONECT 428 2262 CONECT 460 2262 CONECT 479 2236 CONECT 500 2262 CONECT 764 776 CONECT 776 764 777 CONECT 777 776 778 780 CONECT 778 777 779 783 CONECT 779 778 CONECT 780 777 781 CONECT 781 780 782 792 CONECT 782 781 CONECT 783 778 CONECT 792 781 CONECT 891 1640 CONECT 942 1446 CONECT 1112 48 CONECT 1203 1309 CONECT 1309 1203 CONECT 1384 1541 CONECT 1446 942 CONECT 1541 1384 CONECT 1640 891 CONECT 1818 2220 CONECT 1885 2082 CONECT 2024 2188 CONECT 2040 2304 CONECT 2082 1885 CONECT 2188 2024 CONECT 2220 1818 CONECT 2236 424 479 CONECT 2237 2238 2239 2240 2241 CONECT 2238 2237 CONECT 2239 2237 CONECT 2240 2237 CONECT 2241 2237 CONECT 2242 2243 2244 2245 2246 CONECT 2243 2242 CONECT 2244 2242 CONECT 2245 2242 CONECT 2246 2242 CONECT 2247 2248 2249 2250 2251 CONECT 2248 2247 CONECT 2249 2247 CONECT 2250 2247 CONECT 2251 2247 CONECT 2252 2254 2256 2258 2260 CONECT 2253 2255 2257 2259 2261 CONECT 2254 2252 CONECT 2255 2253 CONECT 2256 2252 CONECT 2257 2253 CONECT 2258 2252 CONECT 2259 2253 CONECT 2260 2252 CONECT 2261 2253 CONECT 2262 416 428 460 500 CONECT 2262 2355 2356 CONECT 2263 2264 2265 CONECT 2264 2263 CONECT 2265 2263 2266 CONECT 2266 2265 CONECT 2267 2268 2269 CONECT 2268 2267 CONECT 2269 2267 2270 CONECT 2270 2269 CONECT 2271 2272 2273 CONECT 2272 2271 CONECT 2273 2271 2274 CONECT 2274 2273 CONECT 2275 2276 2277 CONECT 2276 2275 CONECT 2277 2275 2278 CONECT 2278 2277 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 2290 2291 2292 2293 CONECT 2290 2289 CONECT 2291 2289 CONECT 2292 2289 CONECT 2293 2289 CONECT 2294 2295 2296 2297 2298 CONECT 2295 2294 CONECT 2296 2294 CONECT 2297 2294 CONECT 2298 2294 CONECT 2299 2300 2301 2302 2303 CONECT 2300 2299 CONECT 2301 2299 CONECT 2302 2299 CONECT 2303 2299 CONECT 2304 2040 2518 CONECT 2355 2262 CONECT 2356 2262 CONECT 2518 2304 MASTER 460 0 17 5 16 0 28 6 2378 2 108 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
2ftm
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
trypsin
Ligand Name
Y35G BPTI
EC.Number
E.C.3.4.21.4
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=16pM
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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