Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 29-SEP-06 2IJO TITLE CRYSTAL STRUCTURE OF THE WEST NILE VIRUS NS2B-NS3 PROTEASE TITLE 2 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: POLYPROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: NS2B COFACTOR DOMAIN; COMPND 5 SYNONYM: NON-STRUCTURAL PROTEIN 2B, NS2B; COMPND 6 EC: 3.4.21.91; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: POLYPROTEIN; COMPND 10 CHAIN: B; COMPND 11 FRAGMENT: NS3 PROTEASE DOMAIN; COMPND 12 SYNONYM: NON-STRUCTURAL PROTEIN 3, NS3; COMPND 13 EC: 3.4.21.91; COMPND 14 ENGINEERED: YES; COMPND 15 MUTATION: YES; COMPND 16 MOL_ID: 3; COMPND 17 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 18 CHAIN: I; COMPND 19 SYNONYM: BASIC PROTEASE INHIBITOR, BPI, BPTI, APROTININ SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; SOURCE 3 ORGANISM_TAXID: 11082; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET101; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; SOURCE 10 ORGANISM_TAXID: 11082; SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 14 EXPRESSION_SYSTEM_PLASMID: PET101; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 17 ORGANISM_COMMON: CATTLE; SOURCE 18 ORGANISM_TAXID: 9913 KEYWDS WEST NILE VIRUS, PROTEASE, APROTININ, BPTI, NS2B, NS3, KEYWDS 2 FLAVIVIRUS, SERINE PROTEASE, HYDROLASE/HYDROLASE INHIBITOR KEYWDS 3 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.E.ALESHIN,S.A.SHIRYAEV,A.Y.STRONGIN,R.C.LIDDINGTON REVDAT 2 24-FEB-09 2IJO 1 VERSN REVDAT 1 15-MAY-07 2IJO 0 JRNL AUTH A.E.ALESHIN,S.A.SHIRYAEV,A.Y.STRONGIN, JRNL AUTH 2 R.C.LIDDINGTON JRNL TITL STRUCTURAL EVIDENCE FOR REGULATION AND SPECIFICITY JRNL TITL 2 OF FLAVIVIRAL PROTEASES AND EVOLUTION OF THE JRNL TITL 3 FLAVIVIRIDAE FOLD. JRNL REF PROTEIN SCI. V. 16 795 2007 JRNL REFN ISSN 0961-8368 JRNL PMID 17400917 JRNL DOI 10.1110/PS.072753207 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.30 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) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 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) (%) : 93.0 REMARK 3 NUMBER OF REFLECTIONS : 11411 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.212 REMARK 3 FREE R VALUE : 0.264 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.400 REMARK 3 FREE R VALUE TEST SET COUNT : 544 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 : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL 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 : 2023 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 89 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 47.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 44.73 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.79700 REMARK 3 B22 (A**2) : -6.38600 REMARK 3 B33 (A**2) : 3.58900 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.46 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.600 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.767 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.331 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.518 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 42.73 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 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS_TOPPAR:DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : CNS_TOPPAR:ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : CNS_TOPPAR:DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : CNS_TOPPAR:WATER.TOP REMARK 3 TOPOLOGY FILE 4 : CNS_TOPPAR:ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2IJO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-OCT-06. REMARK 100 THE RCSB ID CODE IS RCSB039654. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 28-FEB-06 REMARK 200 TEMPERATURE (KELVIN) : 170 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 12.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11411 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.0 REMARK 200 DATA REDUNDANCY : 7.400 REMARK 200 R MERGE (I) : 0.06900 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.45 REMARK 200 COMPLETENESS FOR SHELL (%) : 70.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.70 REMARK 200 R MERGE FOR SHELL (I) : 0.33000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 2GGV REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.97 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 8000, 0.1M TRIS-HCL, 0.2M REMARK 280 SODIUM CHLORIDE, PH 8.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.02500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 39.70850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.08850 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 39.70850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.02500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 36.08850 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: NS2B COFACTOR AND NS3 PROTEASE DOMAIN FORM HETERODIMER 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5630 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12480 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -33.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 THE PROTEINS NS2B (CHAIN A) AND NS3 (CHAIN B) ARE REMARK 400 CONNECTED THROUGH A LINKER AGGGGSGGGG. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 48 REMARK 465 ASP A 90 REMARK 465 PRO A 91 REMARK 465 GLY A 92 REMARK 465 ALA A 93 REMARK 465 PRO A 94 REMARK 465 TRP A 95 REMARK 465 ALA A 96 REMARK 465 GLY A 97 REMARK 465 GLY A 98 REMARK 465 GLY A 99 REMARK 465 GLY A 100 REMARK 465 SER A 101 REMARK 465 GLY A 102 REMARK 465 GLY A 103 REMARK 465 GLY A 104 REMARK 465 GLY A 105 REMARK 465 ASP B 6 REMARK 465 THR B 7 REMARK 465 PRO B 8 REMARK 465 SER B 9 REMARK 465 PRO B 10 REMARK 465 LYS B 11 REMARK 465 GLU B 12 REMARK 465 TYR B 13 REMARK 465 ALA B 177 REMARK 465 GLY B 178 REMARK 465 PHE B 179 REMARK 465 GLU B 180 REMARK 465 PRO B 181 REMARK 465 GLU B 182 REMARK 465 MET B 183 REMARK 465 LEU B 184 REMARK 465 LYS B 185 REMARK 465 GLY B 186 REMARK 465 HIS B 187 REMARK 465 HIS B 188 REMARK 465 HIS B 189 REMARK 465 HIS B 190 REMARK 465 HIS B 191 REMARK 465 HIS B 192 REMARK 465 GLY I 57 REMARK 465 ALA I 58 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 SER A 49 OG REMARK 470 VAL B 3 CG1 CG2 REMARK 470 LEU B 4 CG CD1 CD2 REMARK 470 TRP B 5 CB CG CD1 CD2 NE1 CE2 CE3 REMARK 470 TRP B 5 CZ2 CZ3 CH2 REMARK 470 GLU B 173 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PRO B 176 C - N - CA ANGL. DEV. = 14.4 DEGREES REMARK 500 PRO B 176 C - N - CD ANGL. DEV. = -14.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN B 92 -63.59 -127.23 REMARK 500 ARG I 39 36.50 70.78 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2FOM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF DENGUE VIRUS NS2B/NS3 PROTEASE REMARK 900 RELATED ID: 2FP7 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF WEST NILE VIRUS NS2B/NS3 PROTEASE IN REMARK 900 COMPLEX WITH BZ-NLE-LYS-ARG-ARG-H REMARK 900 RELATED ID: 2GGV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE WEST NILE VIRUS NS2B-NS3 PROTEASE, REMARK 900 HIS51ALA MUTANT REMARK 999 REMARK 999 SEQUENCE REMARK 999 THIS IS THE SEQUENCE OF THE LINKER BETWEEN CHAINS A AND B. REMARK 999 RESIDUE NUMBERS 1 THROUGH 5 IN COORDINATES FOR CHAIN B REMARK 999 ARE ARBITRARY, SINCE ONLY THESE FIVE RESIDUES WERE REMARK 999 VISIBLE IN ELECTRON DENSITY. THE SEQUENCE ALIGNMENT OF REMARK 999 THESE FIVE RESIDUES IS ALSO ARBITRARY AND IS BASED REMARK 999 ONLY ON THE DISTANCE CRITERIA TO THE NEXT VISIBLE REMARK 999 RESIDUES. DBREF 2IJO A 49 95 UNP Q203W3 Q203W3_WNV 1423 1469 DBREF 2IJO B 1 184 UNP Q203W3 Q203W3_WNV 1506 1689 DBREF 2IJO I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQADV 2IJO MET A 48 UNP Q203W3 INITIATING METHIONINE SEQADV 2IJO ALA A 96 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 97 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 98 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 99 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 100 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO SER A 101 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 102 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 103 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 104 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLY A 105 UNP Q203W3 SEE REMARK 999 SEQADV 2IJO GLN B 84 UNP Q203W3 LYS 1589 VARIANT SEQADV 2IJO ARG B 104 UNP Q203W3 LYS 1609 ENGINEERED SEQADV 2IJO LYS B 185 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO GLY B 186 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 187 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 188 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 189 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 190 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 191 UNP Q203W3 CLONING ARTIFACT SEQADV 2IJO HIS B 192 UNP Q203W3 CLONING ARTIFACT SEQRES 1 A 58 MET SER THR ASP MET TRP ILE GLU ARG THR ALA ASP ILE SEQRES 2 A 58 SER TRP GLU SER ASP ALA GLU ILE THR GLY SER SER GLU SEQRES 3 A 58 ARG VAL ASP VAL ARG LEU ASP ASP ASP GLY ASN PHE GLN SEQRES 4 A 58 LEU MET ASN ASP PRO GLY ALA PRO TRP ALA GLY GLY GLY SEQRES 5 A 58 GLY SER GLY GLY GLY GLY SEQRES 1 B 192 GLY GLY VAL LEU TRP ASP THR PRO SER PRO LYS GLU TYR SEQRES 2 B 192 LYS LYS GLY ASP THR THR THR GLY VAL TYR ARG ILE MET SEQRES 3 B 192 THR ARG GLY LEU LEU GLY SER TYR GLN ALA GLY ALA GLY SEQRES 4 B 192 VAL MET VAL GLU GLY VAL PHE HIS THR LEU TRP HIS THR SEQRES 5 B 192 THR LYS GLY ALA ALA LEU MET SER GLY GLU GLY ARG LEU SEQRES 6 B 192 ASP PRO TYR TRP GLY SER VAL LYS GLU ASP ARG LEU CYS SEQRES 7 B 192 TYR GLY GLY PRO TRP GLN LEU GLN HIS LYS TRP ASN GLY SEQRES 8 B 192 GLN ASP GLU VAL GLN MET ILE VAL VAL GLU PRO GLY ARG SEQRES 9 B 192 ASN VAL LYS ASN VAL GLN THR LYS PRO GLY VAL PHE LYS SEQRES 10 B 192 THR PRO GLU GLY GLU ILE GLY ALA VAL THR LEU ASP PHE SEQRES 11 B 192 PRO THR GLY THR SER GLY SER PRO ILE VAL ASP LYS ASN SEQRES 12 B 192 GLY ASP VAL ILE GLY LEU TYR GLY ASN GLY VAL ILE MET SEQRES 13 B 192 PRO ASN GLY SER TYR ILE SER ALA ILE VAL GLN GLY GLU SEQRES 14 B 192 ARG MET ASP GLU PRO ILE PRO ALA GLY PHE GLU PRO GLU SEQRES 15 B 192 MET LEU LYS GLY HIS HIS HIS HIS HIS HIS SEQRES 1 I 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 58 ARG THR CYS GLY GLY ALA FORMUL 4 HOH *89(H2 O) HELIX 1 1 LEU B 49 LYS B 54 1 6 HELIX 2 2 PRO I 2 GLU I 7 5 6 HELIX 3 3 ALA I 25 GLY I 28 5 4 HELIX 4 4 SER I 47 GLY I 56 1 10 SHEET 1 A 9 VAL B 3 LEU B 4 0 SHEET 2 A 9 PRO B 67 SER B 71 -1 O GLY B 70 N VAL B 3 SHEET 3 A 9 ARG B 76 TYR B 79 -1 O CYS B 78 N TYR B 68 SHEET 4 A 9 VAL B 45 THR B 48 -1 N THR B 48 O LEU B 77 SHEET 5 A 9 GLY B 32 VAL B 42 -1 N VAL B 42 O VAL B 45 SHEET 6 A 9 GLY B 21 GLY B 29 -1 N GLY B 29 O GLY B 32 SHEET 7 A 9 MET A 52 ALA A 58 -1 N TRP A 53 O MET B 26 SHEET 8 A 9 LEU B 58 SER B 60 1 O MET B 59 N ILE A 54 SHEET 9 A 9 GLY B 63 LEU B 65 -1 O GLY B 63 N SER B 60 SHEET 1 B 5 GLU A 67 ILE A 68 0 SHEET 2 B 5 LYS B 107 THR B 111 1 O GLN B 110 N GLU A 67 SHEET 3 B 5 VAL B 95 VAL B 99 -1 N VAL B 95 O THR B 111 SHEET 4 B 5 PRO B 138 VAL B 140 -1 O VAL B 140 N GLN B 96 SHEET 5 B 5 VAL B 146 LEU B 149 -1 O ILE B 147 N ILE B 139 SHEET 1 C 6 PHE A 85 LEU A 87 0 SHEET 2 C 6 ARG A 74 LEU A 79 -1 N ARG A 78 O GLN A 86 SHEET 3 C 6 GLY B 114 LYS B 117 1 O LYS B 117 N VAL A 75 SHEET 4 C 6 GLU B 122 VAL B 126 -1 O ALA B 125 N GLY B 114 SHEET 5 C 6 TYR B 161 ALA B 164 -1 O SER B 163 N VAL B 126 SHEET 6 C 6 GLY B 153 ILE B 155 -1 N VAL B 154 O ILE B 162 SHEET 1 D 2 ILE I 18 TYR I 23 0 SHEET 2 D 2 CYS I 30 TYR I 35 -1 O TYR I 35 N ILE I 18 SSBOND 1 CYS I 5 CYS I 55 1555 1555 2.03 SSBOND 2 CYS I 14 CYS I 38 1555 1555 2.05 SSBOND 3 CYS I 30 CYS I 51 1555 1555 2.03 CRYST1 46.050 72.177 79.417 90.00 90.00 90.00 P 21 21 21 4 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 0.021716 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013855 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012592 0.00000 ATOM 1 N SER A 49 -16.200 7.612 -17.521 1.00 65.71 N ATOM 2 CA SER A 49 -16.253 6.299 -16.815 1.00 64.84 C ATOM 3 C SER A 49 -16.205 6.510 -15.306 1.00 63.86 C ATOM 4 O SER A 49 -16.330 7.639 -14.821 1.00 64.79 O ATOM 5 CB SER A 49 -15.089 5.417 -17.257 1.00 64.97 C ATOM 6 N THR A 50 -16.014 5.420 -14.570 1.00 60.71 N ATOM 7 CA THR A 50 -15.959 5.477 -13.114 1.00 57.46 C ATOM 8 C THR A 50 -14.591 5.022 -12.609 1.00 55.47 C ATOM 9 O THR A 50 -13.742 4.608 -13.394 1.00 55.76 O ATOM 10 CB THR A 50 -17.035 4.564 -12.497 1.00 57.14 C ATOM 11 OG1 THR A 50 -16.743 3.200 -12.823 1.00 55.34 O ATOM 12 CG2 THR A 50 -18.416 4.918 -13.042 1.00 55.18 C ATOM 13 N ASP A 51 -14.377 5.102 -11.300 1.00 53.04 N ATOM 14 CA ASP A 51 -13.110 4.668 -10.718 1.00 51.50 C ATOM 15 C ASP A 51 -13.304 3.392 -9.906 1.00 48.83 C ATOM 16 O ASP A 51 -12.339 2.817 -9.404 1.00 49.09 O ATOM 17 CB ASP A 51 -12.523 5.748 -9.800 1.00 54.99 C ATOM 18 CG ASP A 51 -12.256 7.061 -10.525 1.00 57.93 C ATOM 19 OD1 ASP A 51 -11.567 7.041 -11.570 1.00 58.07 O ATOM 20 OD2 ASP A 51 -12.731 8.114 -10.038 1.00 59.53 O ATOM 21 N MET A 52 -14.552 2.950 -9.773 1.00 43.93 N ATOM 22 CA MET A 52 -14.840 1.750 -9.002 1.00 39.91 C ATOM 23 C MET A 52 -15.785 0.792 -9.713 1.00 37.58 C ATOM 24 O MET A 52 -16.629 1.196 -10.504 1.00 37.37 O ATOM 25 CB MET A 52 -15.457 2.124 -7.646 1.00 40.97 C ATOM 26 CG MET A 52 -14.652 3.087 -6.794 1.00 41.31 C ATOM 27 SD MET A 52 -15.362 3.265 -5.128 1.00 44.38 S ATOM 28 CE MET A 52 -14.102 2.553 -4.140 1.00 42.49 C ATOM 29 N TRP A 53 -15.649 -0.490 -9.412 1.00 36.06 N ATOM 30 CA TRP A 53 -16.519 -1.495 -9.999 1.00 34.01 C ATOM 31 C TRP A 53 -16.786 -2.568 -8.959 1.00 33.57 C ATOM 32 O TRP A 53 -16.165 -2.578 -7.892 1.00 34.27 O ATOM 33 CB TRP A 53 -15.868 -2.096 -11.245 1.00 31.97 C ATOM 34 CG TRP A 53 -14.609 -2.878 -10.993 1.00 27.29 C ATOM 35 CD1 TRP A 53 -14.500 -4.230 -10.885 1.00 27.38 C ATOM 36 CD2 TRP A 53 -13.280 -2.354 -10.845 1.00 24.28 C ATOM 37 NE1 TRP A 53 -13.184 -4.589 -10.681 1.00 24.92 N ATOM 38 CE2 TRP A 53 -12.415 -3.457 -10.652 1.00 24.29 C ATOM 39 CE3 TRP A 53 -12.738 -1.063 -10.854 1.00 24.51 C ATOM 40 CZ2 TRP A 53 -11.032 -3.309 -10.467 1.00 22.52 C ATOM 41 CZ3 TRP A 53 -11.357 -0.912 -10.666 1.00 24.09 C ATOM 42 CH2 TRP A 53 -10.523 -2.034 -10.475 1.00 22.71 C ATOM 43 N ILE A 54 -17.712 -3.468 -9.260 1.00 33.22 N ATOM 44 CA ILE A 54 -18.049 -4.538 -8.334 1.00 32.92 C ATOM 45 C ILE A 54 -17.919 -5.907 -8.988 1.00 34.82 C ATOM 46 O ILE A 54 -18.070 -6.047 -10.200 1.00 34.29 O ATOM 47 CB ILE A 54 -19.486 -4.381 -7.813 1.00 32.25 C ATOM 48 CG1 ILE A 54 -20.467 -4.457 -8.983 1.00 33.16 C ATOM 49 CG2 ILE A 54 -19.640 -3.045 -7.093 1.00 28.77 C ATOM 50 CD1 ILE A 54 -21.912 -4.422 -8.561 1.00 34.33 C ATOM 51 N GLU A 55 -17.653 -6.919 -8.169 1.00 37.57 N ATOM 52 CA GLU A 55 -17.501 -8.288 -8.647 1.00 39.93 C ATOM 53 C GLU A 55 -18.162 -9.224 -7.642 1.00 41.27 C ATOM 54 O GLU A 55 -17.808 -9.214 -6.464 1.00 41.27 O ATOM 55 CB GLU A 55 -16.012 -8.650 -8.759 1.00 42.21 C ATOM 56 CG GLU A 55 -15.141 -7.564 -9.369 1.00 44.35 C ATOM 57 CD GLU A 55 -13.666 -7.943 -9.406 1.00 47.95 C ATOM 58 OE1 GLU A 55 -13.201 -8.647 -8.481 1.00 50.14 O ATOM 59 OE2 GLU A 55 -12.965 -7.521 -10.352 1.00 48.67 O ATOM 60 N ARG A 56 -19.127 -10.018 -8.096 1.00 42.23 N ATOM 61 CA ARG A 56 -19.802 -10.965 -7.211 1.00 40.91 C ATOM 62 C ARG A 56 -18.725 -11.899 -6.665 1.00 40.75 C ATOM 63 O ARG A 56 -17.820 -12.292 -7.400 1.00 39.67 O ATOM 64 CB ARG A 56 -20.836 -11.762 -8.000 1.00 41.84 C ATOM 65 CG ARG A 56 -21.747 -12.645 -7.166 1.00 42.95 C ATOM 66 CD ARG A 56 -22.766 -13.329 -8.076 1.00 43.96 C ATOM 67 NE ARG A 56 -23.911 -13.868 -7.345 1.00 43.94 N ATOM 68 CZ ARG A 56 -23.851 -14.891 -6.501 1.00 42.59 C ATOM 69 NH1 ARG A 56 -22.694 -15.499 -6.276 1.00 42.40 N ATOM 70 NH2 ARG A 56 -24.948 -15.300 -5.880 1.00 40.03 N ATOM 71 N THR A 57 -18.817 -12.252 -5.384 1.00 40.50 N ATOM 72 CA THR A 57 -17.821 -13.119 -4.767 1.00 40.03 C ATOM 73 C THR A 57 -18.403 -14.278 -3.963 1.00 42.24 C ATOM 74 O THR A 57 -17.666 -15.181 -3.551 1.00 42.65 O ATOM 75 CB THR A 57 -16.894 -12.320 -3.834 1.00 40.08 C ATOM 76 OG1 THR A 57 -15.968 -13.212 -3.197 1.00 42.12 O ATOM 77 CG2 THR A 57 -17.701 -11.601 -2.778 1.00 35.97 C ATOM 78 N ALA A 58 -19.713 -14.255 -3.729 1.00 41.80 N ATOM 79 CA ALA A 58 -20.347 -15.330 -2.976 1.00 43.09 C ATOM 80 C ALA A 58 -21.858 -15.177 -2.928 1.00 44.14 C ATOM 81 O ALA A 58 -22.409 -14.187 -3.403 1.00 43.84 O ATOM 82 CB ALA A 58 -19.784 -15.380 -1.557 1.00 40.78 C ATOM 83 N ASP A 59 -22.524 -16.177 -2.360 1.00 46.63 N ATOM 84 CA ASP A 59 -23.974 -16.151 -2.228 1.00 48.81 C ATOM 85 C ASP A 59 -24.302 -15.643 -0.830 1.00 47.21 C ATOM 86 O ASP A 59 -23.457 -15.671 0.062 1.00 46.66 O ATOM 87 CB ASP A 59 -24.569 -17.558 -2.398 1.00 53.28 C ATOM 88 CG ASP A 59 -24.123 -18.239 -3.682 1.00 58.89 C ATOM 89 OD1 ASP A 59 -24.283 -17.643 -4.775 1.00 61.04 O ATOM 90 OD2 ASP A 59 -23.617 -19.383 -3.595 1.00 61.75 O ATOM 91 N ILE A 60 -25.530 -15.181 -0.644 1.00 46.78 N ATOM 92 CA ILE A 60 -25.965 -14.689 0.653 1.00 47.37 C ATOM 93 C ILE A 60 -26.493 -15.879 1.447 1.00 49.43 C ATOM 94 O ILE A 60 -27.653 -16.267 1.301 1.00 50.81 O ATOM 95 CB ILE A 60 -27.092 -13.656 0.499 1.00 45.09 C ATOM 96 CG1 ILE A 60 -26.641 -12.537 -0.440 1.00 44.11 C ATOM 97 CG2 ILE A 60 -27.464 -13.093 1.859 1.00 44.54 C ATOM 98 CD1 ILE A 60 -27.715 -11.543 -0.755 1.00 42.14 C ATOM 99 N SER A 61 -25.647 -16.461 2.290 1.00 51.47 N ATOM 100 CA SER A 61 -26.074 -17.616 3.066 1.00 54.22 C ATOM 101 C SER A 61 -25.514 -17.690 4.476 1.00 54.76 C ATOM 102 O SER A 61 -24.510 -17.056 4.808 1.00 53.71 O ATOM 103 CB SER A 61 -25.696 -18.907 2.336 1.00 55.75 C ATOM 104 OG SER A 61 -24.287 -19.075 2.316 1.00 57.69 O ATOM 105 N TRP A 62 -26.189 -18.493 5.291 1.00 56.29 N ATOM 106 CA TRP A 62 -25.807 -18.744 6.673 1.00 58.07 C ATOM 107 C TRP A 62 -24.957 -20.011 6.626 1.00 58.40 C ATOM 108 O TRP A 62 -25.231 -20.908 5.837 1.00 59.99 O ATOM 109 CB TRP A 62 -27.075 -18.964 7.507 1.00 58.54 C ATOM 110 CG TRP A 62 -26.862 -19.345 8.942 1.00 59.00 C ATOM 111 CD1 TRP A 62 -26.508 -20.572 9.423 1.00 58.85 C ATOM 112 CD2 TRP A 62 -27.033 -18.499 10.086 1.00 59.17 C ATOM 113 NE1 TRP A 62 -26.453 -20.544 10.798 1.00 59.11 N ATOM 114 CE2 TRP A 62 -26.772 -19.284 11.229 1.00 58.99 C ATOM 115 CE3 TRP A 62 -27.384 -17.154 10.255 1.00 59.07 C ATOM 116 CZ2 TRP A 62 -26.849 -18.767 12.525 1.00 59.16 C ATOM 117 CZ3 TRP A 62 -27.461 -16.640 11.546 1.00 59.38 C ATOM 118 CH2 TRP A 62 -27.195 -17.446 12.662 1.00 58.63 C ATOM 119 N GLU A 63 -23.911 -20.075 7.439 1.00 60.14 N ATOM 120 CA GLU A 63 -23.048 -21.251 7.469 1.00 61.66 C ATOM 121 C GLU A 63 -23.128 -21.879 8.852 1.00 62.82 C ATOM 122 O GLU A 63 -22.620 -21.324 9.823 1.00 63.34 O ATOM 123 CB GLU A 63 -21.602 -20.864 7.161 1.00 62.31 C ATOM 124 CG GLU A 63 -21.414 -20.206 5.809 1.00 63.78 C ATOM 125 CD GLU A 63 -21.772 -21.122 4.660 1.00 66.11 C ATOM 126 OE1 GLU A 63 -21.128 -22.183 4.520 1.00 67.25 O ATOM 127 OE2 GLU A 63 -22.697 -20.779 3.894 1.00 67.43 O ATOM 128 N SER A 64 -23.769 -23.039 8.937 1.00 64.63 N ATOM 129 CA SER A 64 -23.930 -23.731 10.213 1.00 65.54 C ATOM 130 C SER A 64 -22.616 -23.996 10.950 1.00 64.90 C ATOM 131 O SER A 64 -22.590 -24.026 12.176 1.00 64.11 O ATOM 132 CB SER A 64 -24.690 -25.049 10.004 1.00 65.67 C ATOM 133 OG SER A 64 -24.050 -25.871 9.041 1.00 67.79 O ATOM 134 N ASP A 65 -21.529 -24.172 10.206 1.00 65.91 N ATOM 135 CA ASP A 65 -20.225 -24.446 10.809 1.00 66.70 C ATOM 136 C ASP A 65 -19.376 -23.190 11.014 1.00 66.27 C ATOM 137 O ASP A 65 -18.174 -23.282 11.264 1.00 66.34 O ATOM 138 CB ASP A 65 -19.452 -25.435 9.935 1.00 68.92 C ATOM 139 CG ASP A 65 -19.298 -24.947 8.508 1.00 71.28 C ATOM 140 OD1 ASP A 65 -20.332 -24.785 7.824 1.00 73.21 O ATOM 141 OD2 ASP A 65 -18.147 -24.720 8.072 1.00 72.77 O ATOM 142 N ALA A 66 -19.997 -22.020 10.904 1.00 65.77 N ATOM 143 CA ALA A 66 -19.276 -20.762 11.075 1.00 64.21 C ATOM 144 C ALA A 66 -18.713 -20.629 12.482 1.00 63.83 C ATOM 145 O ALA A 66 -19.353 -21.008 13.463 1.00 64.27 O ATOM 146 CB ALA A 66 -20.187 -19.584 10.773 1.00 64.24 C ATOM 147 N GLU A 67 -17.502 -20.093 12.564 1.00 62.42 N ATOM 148 CA GLU A 67 -16.830 -19.881 13.834 1.00 60.98 C ATOM 149 C GLU A 67 -17.629 -18.866 14.647 1.00 60.37 C ATOM 150 O GLU A 67 -18.292 -17.993 14.087 1.00 60.51 O ATOM 151 CB GLU A 67 -15.422 -19.352 13.569 1.00 62.09 C ATOM 152 CG GLU A 67 -14.623 -18.969 14.797 1.00 64.05 C ATOM 153 CD GLU A 67 -13.331 -18.252 14.431 1.00 66.88 C ATOM 154 OE1 GLU A 67 -12.497 -18.845 13.708 1.00 67.55 O ATOM 155 OE2 GLU A 67 -13.151 -17.091 14.859 1.00 67.37 O ATOM 156 N ILE A 68 -17.579 -18.988 15.967 1.00 58.92 N ATOM 157 CA ILE A 68 -18.294 -18.062 16.831 1.00 57.92 C ATOM 158 C ILE A 68 -17.279 -17.241 17.613 1.00 57.60 C ATOM 159 O ILE A 68 -16.318 -17.787 18.156 1.00 57.32 O ATOM 160 CB ILE A 68 -19.226 -18.814 17.818 1.00 57.50 C ATOM 161 CG1 ILE A 68 -20.324 -19.543 17.033 1.00 57.19 C ATOM 162 CG2 ILE A 68 -19.833 -17.832 18.817 1.00 57.05 C ATOM 163 CD1 ILE A 68 -21.399 -20.190 17.889 1.00 54.93 C ATOM 164 N THR A 69 -17.478 -15.927 17.650 1.00 57.13 N ATOM 165 CA THR A 69 -16.564 -15.051 18.377 1.00 57.02 C ATOM 166 C THR A 69 -17.193 -13.692 18.670 1.00 56.16 C ATOM 167 O THR A 69 -18.334 -13.427 18.287 1.00 55.30 O ATOM 168 CB THR A 69 -15.232 -14.848 17.599 1.00 57.88 C ATOM 169 OG1 THR A 69 -14.318 -14.085 18.400 1.00 59.10 O ATOM 170 CG2 THR A 69 -15.479 -14.121 16.282 1.00 57.15 C ATOM 171 N GLY A 70 -16.445 -12.842 19.366 1.00 55.89 N ATOM 172 CA GLY A 70 -16.941 -11.525 19.712 1.00 57.04 C ATOM 173 C GLY A 70 -17.841 -11.552 20.932 1.00 57.86 C ATOM 174 O GLY A 70 -18.439 -12.579 21.254 1.00 57.97 O ATOM 175 N SER A 71 -17.933 -10.417 21.616 1.00 58.49 N ATOM 176 CA SER A 71 -18.766 -10.291 22.804 1.00 58.86 C ATOM 177 C SER A 71 -19.999 -9.441 22.505 1.00 59.39 C ATOM 178 O SER A 71 -20.165 -8.943 21.388 1.00 59.88 O ATOM 179 CB SER A 71 -17.954 -9.661 23.933 1.00 59.97 C ATOM 180 OG SER A 71 -17.272 -8.507 23.479 1.00 61.13 O ATOM 181 N SER A 72 -20.867 -9.270 23.495 1.00 58.75 N ATOM 182 CA SER A 72 -22.073 -8.478 23.283 1.00 59.61 C ATOM 183 C SER A 72 -22.356 -7.466 24.380 1.00 59.53 C ATOM 184 O SER A 72 -23.382 -7.544 25.057 1.00 59.71 O ATOM 185 CB SER A 72 -23.286 -9.396 23.115 1.00 59.87 C ATOM 186 OG SER A 72 -23.412 -10.286 24.206 1.00 61.62 O ATOM 187 N GLU A 73 -21.451 -6.510 24.553 1.00 59.45 N ATOM 188 CA GLU A 73 -21.641 -5.487 25.569 1.00 60.46 C ATOM 189 C GLU A 73 -22.499 -4.360 25.026 1.00 57.97 C ATOM 190 O GLU A 73 -22.633 -4.198 23.822 1.00 58.33 O ATOM 191 CB GLU A 73 -20.295 -4.927 26.042 1.00 63.57 C ATOM 192 CG GLU A 73 -19.255 -4.815 24.951 1.00 67.90 C ATOM 193 CD GLU A 73 -18.703 -6.169 24.558 1.00 70.66 C ATOM 194 OE1 GLU A 73 -18.045 -6.815 25.406 1.00 71.50 O ATOM 195 OE2 GLU A 73 -18.937 -6.592 23.407 1.00 72.38 O ATOM 196 N ARG A 74 -23.090 -3.598 25.936 1.00 56.77 N ATOM 197 CA ARG A 74 -23.935 -2.473 25.582 1.00 54.80 C ATOM 198 C ARG A 74 -23.086 -1.229 25.748 1.00 51.81 C ATOM 199 O ARG A 74 -22.393 -1.072 26.752 1.00 51.27 O ATOM 200 CB ARG A 74 -25.146 -2.424 26.511 1.00 59.32 C ATOM 201 CG ARG A 74 -25.984 -3.698 26.466 1.00 64.07 C ATOM 202 CD ARG A 74 -26.908 -3.810 27.666 1.00 68.22 C ATOM 203 NE ARG A 74 -27.609 -5.093 27.690 1.00 72.33 N ATOM 204 CZ ARG A 74 -28.313 -5.546 28.726 1.00 74.25 C ATOM 205 NH1 ARG A 74 -28.413 -4.819 29.833 1.00 75.34 N ATOM 206 NH2 ARG A 74 -28.915 -6.729 28.658 1.00 74.19 N ATOM 207 N VAL A 75 -23.132 -0.349 24.757 1.00 48.01 N ATOM 208 CA VAL A 75 -22.342 0.869 24.792 1.00 43.67 C ATOM 209 C VAL A 75 -23.204 2.082 24.468 1.00 42.96 C ATOM 210 O VAL A 75 -24.037 2.043 23.560 1.00 40.48 O ATOM 211 CB VAL A 75 -21.175 0.790 23.772 1.00 42.98 C ATOM 212 CG1 VAL A 75 -20.305 2.032 23.869 1.00 41.73 C ATOM 213 CG2 VAL A 75 -20.352 -0.461 24.019 1.00 39.53 C ATOM 214 N ASP A 76 -22.998 3.157 25.219 1.00 42.27 N ATOM 215 CA ASP A 76 -23.739 4.392 25.007 1.00 43.45 C ATOM 216 C ASP A 76 -23.028 5.270 23.991 1.00 42.33 C ATOM 217 O ASP A 76 -21.890 5.701 24.210 1.00 41.51 O ATOM 218 CB ASP A 76 -23.898 5.153 26.326 1.00 47.25 C ATOM 219 CG ASP A 76 -25.119 4.703 27.119 1.00 51.70 C ATOM 220 OD1 ASP A 76 -25.223 3.500 27.451 1.00 52.67 O ATOM 221 OD2 ASP A 76 -25.983 5.559 27.406 1.00 55.60 O ATOM 222 N VAL A 77 -23.701 5.527 22.873 1.00 41.12 N ATOM 223 CA VAL A 77 -23.132 6.359 21.818 1.00 40.62 C ATOM 224 C VAL A 77 -24.143 7.323 21.228 1.00 41.12 C ATOM 225 O VAL A 77 -25.351 7.211 21.453 1.00 40.68 O ATOM 226 CB VAL A 77 -22.571 5.515 20.652 1.00 38.29 C ATOM 227 CG1 VAL A 77 -21.400 4.681 21.123 1.00 38.62 C ATOM 228 CG2 VAL A 77 -23.665 4.634 20.083 1.00 38.76 C ATOM 229 N ARG A 78 -23.622 8.270 20.462 1.00 42.12 N ATOM 230 CA ARG A 78 -24.419 9.279 19.788 1.00 42.43 C ATOM 231 C ARG A 78 -24.036 9.216 18.307 1.00 41.29 C ATOM 232 O ARG A 78 -22.889 8.915 17.971 1.00 41.42 O ATOM 233 CB ARG A 78 -24.089 10.650 20.378 1.00 45.36 C ATOM 234 CG ARG A 78 -24.202 11.806 19.405 1.00 53.86 C ATOM 235 CD ARG A 78 -23.425 13.019 19.906 1.00 57.99 C ATOM 236 NE ARG A 78 -23.269 14.033 18.862 1.00 62.45 N ATOM 237 CZ ARG A 78 -22.499 15.111 18.979 1.00 63.65 C ATOM 238 NH1 ARG A 78 -21.812 15.316 20.098 1.00 64.13 N ATOM 239 NH2 ARG A 78 -22.411 15.982 17.979 1.00 62.85 N ATOM 240 N LEU A 79 -24.991 9.473 17.421 1.00 39.61 N ATOM 241 CA LEU A 79 -24.704 9.457 15.987 1.00 39.53 C ATOM 242 C LEU A 79 -24.645 10.899 15.488 1.00 38.93 C ATOM 243 O LEU A 79 -25.678 11.555 15.381 1.00 39.81 O ATOM 244 CB LEU A 79 -25.795 8.685 15.236 1.00 38.03 C ATOM 245 CG LEU A 79 -25.678 8.591 13.709 1.00 39.78 C ATOM 246 CD1 LEU A 79 -24.375 7.894 13.331 1.00 38.17 C ATOM 247 CD2 LEU A 79 -26.882 7.827 13.142 1.00 37.83 C ATOM 248 N ASP A 80 -23.449 11.406 15.195 1.00 36.92 N ATOM 249 CA ASP A 80 -23.353 12.783 14.726 1.00 37.73 C ATOM 250 C ASP A 80 -23.867 12.960 13.302 1.00 36.51 C ATOM 251 O ASP A 80 -24.195 11.995 12.624 1.00 35.10 O ATOM 252 CB ASP A 80 -21.915 13.337 14.854 1.00 38.34 C ATOM 253 CG ASP A 80 -20.914 12.659 13.927 1.00 38.14 C ATOM 254 OD1 ASP A 80 -21.272 12.279 12.788 1.00 37.28 O ATOM 255 OD2 ASP A 80 -19.739 12.540 14.337 1.00 37.88 O ATOM 256 N ASP A 81 -23.939 14.210 12.862 1.00 38.80 N ATOM 257 CA ASP A 81 -24.435 14.543 11.532 1.00 39.62 C ATOM 258 C ASP A 81 -23.537 14.085 10.386 1.00 38.66 C ATOM 259 O ASP A 81 -23.931 14.132 9.224 1.00 37.89 O ATOM 260 CB ASP A 81 -24.683 16.052 11.457 1.00 43.39 C ATOM 261 CG ASP A 81 -25.883 16.485 12.299 1.00 47.56 C ATOM 262 OD1 ASP A 81 -26.063 17.699 12.525 1.00 50.67 O ATOM 263 OD2 ASP A 81 -26.658 15.604 12.729 1.00 50.00 O ATOM 264 N ASP A 82 -22.331 13.638 10.719 1.00 39.69 N ATOM 265 CA ASP A 82 -21.392 13.146 9.716 1.00 39.50 C ATOM 266 C ASP A 82 -21.641 11.655 9.489 1.00 37.86 C ATOM 267 O ASP A 82 -20.987 11.026 8.660 1.00 37.32 O ATOM 268 CB ASP A 82 -19.947 13.371 10.181 1.00 42.23 C ATOM 269 CG ASP A 82 -19.486 14.817 10.002 1.00 45.51 C ATOM 270 OD1 ASP A 82 -18.481 15.217 10.636 1.00 47.66 O ATOM 271 OD2 ASP A 82 -20.118 15.554 9.218 1.00 45.43 O ATOM 272 N GLY A 83 -22.595 11.096 10.228 1.00 35.45 N ATOM 273 CA GLY A 83 -22.901 9.683 10.088 1.00 34.38 C ATOM 274 C GLY A 83 -21.976 8.815 10.923 1.00 34.00 C ATOM 275 O GLY A 83 -21.950 7.594 10.766 1.00 31.70 O ATOM 276 N ASN A 84 -21.231 9.448 11.825 1.00 33.07 N ATOM 277 CA ASN A 84 -20.287 8.741 12.682 1.00 35.61 C ATOM 278 C ASN A 84 -20.740 8.629 14.130 1.00 36.69 C ATOM 279 O ASN A 84 -21.348 9.551 14.674 1.00 36.91 O ATOM 280 CB ASN A 84 -18.936 9.442 12.634 1.00 34.90 C ATOM 281 CG ASN A 84 -18.374 9.504 11.234 1.00 38.03 C ATOM 282 OD1 ASN A 84 -17.801 10.515 10.828 1.00 39.46 O ATOM 283 ND2 ASN A 84 -18.535 8.418 10.484 1.00 37.12 N ATOM 284 N PHE A 85 -20.427 7.498 14.754 1.00 37.48 N ATOM 285 CA PHE A 85 -20.802 7.273 16.144 1.00 38.64 C ATOM 286 C PHE A 85 -19.794 7.829 17.149 1.00 39.83 C ATOM 287 O PHE A 85 -18.585 7.645 17.010 1.00 38.67 O ATOM 288 CB PHE A 85 -21.018 5.781 16.399 1.00 36.27 C ATOM 289 CG PHE A 85 -22.305 5.248 15.827 1.00 34.17 C ATOM 290 CD1 PHE A 85 -22.300 4.427 14.705 1.00 33.78 C ATOM 291 CD2 PHE A 85 -23.523 5.561 16.418 1.00 33.82 C ATOM 292 CE1 PHE A 85 -23.487 3.923 14.179 1.00 32.67 C ATOM 293 CE2 PHE A 85 -24.719 5.066 15.903 1.00 33.22 C ATOM 294 CZ PHE A 85 -24.702 4.245 14.780 1.00 34.53 C ATOM 295 N GLN A 86 -20.320 8.524 18.155 1.00 42.47 N ATOM 296 CA GLN A 86 -19.526 9.133 19.221 1.00 44.59 C ATOM 297 C GLN A 86 -19.795 8.432 20.546 1.00 45.84 C ATOM 298 O GLN A 86 -20.940 8.110 20.868 1.00 43.67 O ATOM 299 CB GLN A 86 -19.890 10.605 19.381 1.00 47.18 C ATOM 300 CG GLN A 86 -19.360 11.497 18.298 1.00 53.50 C ATOM 301 CD GLN A 86 -17.861 11.404 18.196 1.00 57.93 C ATOM 302 OE1 GLN A 86 -17.337 10.870 17.233 1.00 59.76 O ATOM 303 NE2 GLN A 86 -17.159 11.909 19.205 1.00 59.71 N ATOM 304 N LEU A 87 -18.737 8.219 21.320 1.00 47.90 N ATOM 305 CA LEU A 87 -18.852 7.563 22.614 1.00 52.47 C ATOM 306 C LEU A 87 -19.410 8.451 23.724 1.00 56.75 C ATOM 307 O LEU A 87 -19.603 9.653 23.550 1.00 56.00 O ATOM 308 CB LEU A 87 -17.491 7.022 23.050 1.00 50.44 C ATOM 309 CG LEU A 87 -17.165 5.590 22.644 1.00 49.89 C ATOM 310 CD1 LEU A 87 -15.747 5.237 23.071 1.00 50.61 C ATOM 311 CD2 LEU A 87 -18.169 4.661 23.291 1.00 49.02 C ATOM 312 N MET A 88 -19.658 7.829 24.873 1.00 62.99 N ATOM 313 CA MET A 88 -20.175 8.506 26.057 1.00 68.72 C ATOM 314 C MET A 88 -21.539 9.135 25.820 1.00 70.36 C ATOM 315 O MET A 88 -22.098 9.771 26.711 1.00 71.10 O ATOM 316 CB MET A 88 -19.172 9.563 26.550 1.00 71.51 C ATOM 317 CG MET A 88 -17.848 8.969 27.039 1.00 75.04 C ATOM 318 SD MET A 88 -16.674 10.182 27.707 1.00 80.03 S ATOM 319 CE MET A 88 -15.678 10.552 26.237 1.00 77.86 C ATOM 320 N ASN A 89 -22.070 8.948 24.616 1.00 71.78 N ATOM 321 CA ASN A 89 -23.385 9.473 24.255 1.00 73.77 C ATOM 322 C ASN A 89 -23.465 11.001 24.349 1.00 75.57 C ATOM 323 O ASN A 89 -24.363 11.505 25.060 1.00 76.61 O ATOM 324 CB ASN A 89 -24.452 8.836 25.155 1.00 73.31 C ATOM 325 CG ASN A 89 -25.863 9.032 24.625 1.00 73.80 C ATOM 326 OD1 ASN A 89 -26.824 8.476 25.163 1.00 74.59 O ATOM 327 ND2 ASN A 89 -25.995 9.823 23.567 1.00 72.53 N TER 328 ASN A 89 ATOM 329 N GLY B 1 -31.870 14.489 5.723 1.00 93.16 N ATOM 330 CA GLY B 1 -30.402 14.229 5.707 1.00 93.32 C ATOM 331 C GLY B 1 -30.036 13.134 4.704 1.00 93.06 C ATOM 332 O GLY B 1 -29.157 12.310 4.966 1.00 93.58 O ATOM 333 N GLY B 2 -30.710 13.134 3.556 1.00 92.25 N ATOM 334 CA GLY B 2 -30.455 12.145 2.512 1.00 91.90 C ATOM 335 C GLY B 2 -30.506 12.780 1.125 1.00 91.48 C ATOM 336 O GLY B 2 -30.797 13.966 0.990 1.00 91.81 O ATOM 337 N VAL B 3 -30.220 11.982 0.099 1.00 90.94 N ATOM 338 CA VAL B 3 -30.225 12.459 -1.281 1.00 90.27 C ATOM 339 C VAL B 3 -30.830 11.419 -2.220 1.00 89.92 C ATOM 340 O VAL B 3 -30.495 10.237 -2.147 1.00 89.22 O ATOM 341 CB VAL B 3 -28.801 12.791 -1.721 1.00 89.96 C ATOM 342 N LEU B 4 -31.725 11.864 -3.097 1.00 89.94 N ATOM 343 CA LEU B 4 -32.365 10.968 -4.056 1.00 90.46 C ATOM 344 C LEU B 4 -31.792 11.213 -5.452 1.00 90.80 C ATOM 345 O LEU B 4 -31.450 12.342 -5.803 1.00 90.83 O ATOM 346 CB LEU B 4 -33.874 11.186 -4.056 1.00 89.60 C ATOM 347 N TRP B 5 -31.686 10.151 -6.243 1.00 91.40 N ATOM 348 CA TRP B 5 -31.142 10.279 -7.582 1.00 92.27 C ATOM 349 C TRP B 5 -29.639 10.493 -7.554 1.00 93.01 C ATOM 350 O TRP B 5 -29.079 10.670 -6.450 1.00 93.27 O ATOM 351 N LYS B 14 -25.539 2.079 -20.304 1.00 68.04 N ATOM 352 CA LYS B 14 -25.796 0.611 -20.184 1.00 68.45 C ATOM 353 C LYS B 14 -25.973 0.244 -18.708 1.00 68.41 C ATOM 354 O LYS B 14 -25.180 0.652 -17.860 1.00 68.28 O ATOM 355 CB LYS B 14 -24.616 -0.176 -20.781 1.00 69.28 C ATOM 356 CG LYS B 14 -24.844 -1.682 -21.020 1.00 69.73 C ATOM 357 CD LYS B 14 -26.129 -2.206 -20.393 1.00 69.83 C ATOM 358 CE LYS B 14 -26.209 -3.725 -20.423 1.00 69.97 C ATOM 359 NZ LYS B 14 -26.349 -4.260 -21.806 1.00 71.96 N ATOM 360 N LYS B 15 -27.022 -0.523 -18.416 1.00 68.01 N ATOM 361 CA LYS B 15 -27.325 -0.966 -17.056 1.00 67.59 C ATOM 362 C LYS B 15 -26.449 -2.172 -16.690 1.00 66.84 C ATOM 363 O LYS B 15 -26.397 -3.158 -17.428 1.00 66.09 O ATOM 364 CB LYS B 15 -28.808 -1.343 -16.954 1.00 67.67 C ATOM 365 CG LYS B 15 -29.315 -1.520 -15.532 1.00 68.24 C ATOM 366 CD LYS B 15 -29.267 -0.203 -14.772 1.00 69.39 C ATOM 367 CE LYS B 15 -29.664 -0.382 -13.312 1.00 71.15 C ATOM 368 NZ LYS B 15 -31.063 -0.880 -13.147 1.00 71.59 N ATOM 369 N GLY B 16 -25.771 -2.089 -15.548 1.00 65.69 N ATOM 370 CA GLY B 16 -24.894 -3.170 -15.122 1.00 64.66 C ATOM 371 C GLY B 16 -25.572 -4.414 -14.579 1.00 63.12 C ATOM 372 O GLY B 16 -26.778 -4.412 -14.332 1.00 62.30 O ATOM 373 N ASP B 17 -24.791 -5.479 -14.396 1.00 62.18 N ATOM 374 CA ASP B 17 -25.315 -6.741 -13.870 1.00 61.77 C ATOM 375 C ASP B 17 -25.829 -6.569 -12.447 1.00 60.47 C ATOM 376 O ASP B 17 -25.289 -5.773 -11.675 1.00 60.96 O ATOM 377 CB ASP B 17 -24.235 -7.828 -13.885 1.00 62.28 C ATOM 378 CG ASP B 17 -24.614 -9.033 -13.035 1.00 64.04 C ATOM 379 OD1 ASP B 17 -25.744 -9.544 -13.192 1.00 65.55 O ATOM 380 OD2 ASP B 17 -23.784 -9.473 -12.209 1.00 66.18 O ATOM 381 N THR B 18 -26.867 -7.325 -12.101 1.00 57.27 N ATOM 382 CA THR B 18 -27.454 -7.242 -10.774 1.00 54.54 C ATOM 383 C THR B 18 -27.729 -8.612 -10.175 1.00 53.78 C ATOM 384 O THR B 18 -28.633 -8.767 -9.353 1.00 53.66 O ATOM 385 CB THR B 18 -28.768 -6.456 -10.807 1.00 53.95 C ATOM 386 OG1 THR B 18 -29.716 -7.153 -11.623 1.00 55.66 O ATOM 387 CG2 THR B 18 -28.535 -5.065 -11.380 1.00 53.31 C ATOM 388 N THR B 19 -26.951 -9.606 -10.587 1.00 51.93 N ATOM 389 CA THR B 19 -27.124 -10.950 -10.062 1.00 51.30 C ATOM 390 C THR B 19 -27.062 -10.907 -8.532 1.00 49.79 C ATOM 391 O THR B 19 -26.103 -10.399 -7.951 1.00 50.93 O ATOM 392 CB THR B 19 -26.023 -11.893 -10.584 1.00 53.10 C ATOM 393 OG1 THR B 19 -26.071 -11.935 -12.015 1.00 54.84 O ATOM 394 CG2 THR B 19 -26.218 -13.303 -10.035 1.00 52.48 C ATOM 395 N THR B 20 -28.097 -11.432 -7.889 1.00 47.27 N ATOM 396 CA THR B 20 -28.175 -11.464 -6.435 1.00 44.88 C ATOM 397 C THR B 20 -26.895 -12.032 -5.835 1.00 44.36 C ATOM 398 O THR B 20 -26.331 -12.992 -6.362 1.00 44.80 O ATOM 399 CB THR B 20 -29.360 -12.336 -5.972 1.00 43.48 C ATOM 400 OG1 THR B 20 -30.583 -11.788 -6.475 1.00 41.72 O ATOM 401 CG2 THR B 20 -29.427 -12.389 -4.460 1.00 44.71 C ATOM 402 N GLY B 21 -26.437 -11.440 -4.734 1.00 43.37 N ATOM 403 CA GLY B 21 -25.229 -11.934 -4.095 1.00 40.05 C ATOM 404 C GLY B 21 -24.392 -10.920 -3.334 1.00 39.01 C ATOM 405 O GLY B 21 -24.748 -9.744 -3.214 1.00 36.18 O ATOM 406 N VAL B 22 -23.266 -11.402 -2.812 1.00 38.64 N ATOM 407 CA VAL B 22 -22.325 -10.586 -2.058 1.00 37.08 C ATOM 408 C VAL B 22 -21.240 -10.110 -3.012 1.00 37.40 C ATOM 409 O VAL B 22 -20.698 -10.900 -3.787 1.00 37.68 O ATOM 410 CB VAL B 22 -21.670 -11.398 -0.918 1.00 36.48 C ATOM 411 CG1 VAL B 22 -20.716 -10.511 -0.131 1.00 33.13 C ATOM 412 CG2 VAL B 22 -22.740 -11.967 -0.004 1.00 33.28 C ATOM 413 N TYR B 23 -20.917 -8.821 -2.951 1.00 36.46 N ATOM 414 CA TYR B 23 -19.910 -8.252 -3.843 1.00 36.16 C ATOM 415 C TYR B 23 -18.745 -7.545 -3.171 1.00 35.37 C ATOM 416 O TYR B 23 -18.835 -7.109 -2.024 1.00 35.65 O ATOM 417 CB TYR B 23 -20.557 -7.247 -4.797 1.00 36.35 C ATOM 418 CG TYR B 23 -21.417 -7.852 -5.878 1.00 38.51 C ATOM 419 CD1 TYR B 23 -21.052 -7.744 -7.223 1.00 38.79 C ATOM 420 CD2 TYR B 23 -22.614 -8.501 -5.565 1.00 37.19 C ATOM 421 CE1 TYR B 23 -21.858 -8.264 -8.230 1.00 39.75 C ATOM 422 CE2 TYR B 23 -23.427 -9.022 -6.564 1.00 40.63 C ATOM 423 CZ TYR B 23 -23.043 -8.899 -7.894 1.00 40.17 C ATOM 424 OH TYR B 23 -23.851 -9.399 -8.885 1.00 43.63 O ATOM 425 N ARG B 24 -17.650 -7.440 -3.917 1.00 33.90 N ATOM 426 CA ARG B 24 -16.462 -6.737 -3.478 1.00 31.87 C ATOM 427 C ARG B 24 -16.495 -5.451 -4.281 1.00 31.64 C ATOM 428 O ARG B 24 -16.811 -5.474 -5.470 1.00 31.31 O ATOM 429 CB ARG B 24 -15.195 -7.504 -3.841 1.00 33.88 C ATOM 430 CG ARG B 24 -14.929 -8.746 -3.014 1.00 37.42 C ATOM 431 CD ARG B 24 -13.707 -9.465 -3.545 1.00 41.02 C ATOM 432 NE ARG B 24 -13.659 -10.854 -3.106 1.00 44.89 N ATOM 433 CZ ARG B 24 -13.294 -11.252 -1.891 1.00 46.59 C ATOM 434 NH1 ARG B 24 -12.930 -10.366 -0.971 1.00 45.63 N ATOM 435 NH2 ARG B 24 -13.299 -12.544 -1.597 1.00 48.68 N ATOM 436 N ILE B 25 -16.211 -4.329 -3.631 1.00 30.41 N ATOM 437 CA ILE B 25 -16.178 -3.044 -4.313 1.00 29.29 C ATOM 438 C ILE B 25 -14.703 -2.789 -4.584 1.00 29.86 C ATOM 439 O ILE B 25 -13.919 -2.628 -3.647 1.00 32.22 O ATOM 440 CB ILE B 25 -16.729 -1.916 -3.423 1.00 30.76 C ATOM 441 CG1 ILE B 25 -18.188 -2.204 -3.066 1.00 28.28 C ATOM 442 CG2 ILE B 25 -16.586 -0.566 -4.140 1.00 30.76 C ATOM 443 CD1 ILE B 25 -18.801 -1.171 -2.163 1.00 28.70 C ATOM 444 N MET B 26 -14.324 -2.770 -5.858 1.00 30.04 N ATOM 445 CA MET B 26 -12.926 -2.563 -6.240 1.00 30.35 C ATOM 446 C MET B 26 -12.655 -1.162 -6.777 1.00 30.24 C ATOM 447 O MET B 26 -13.571 -0.440 -7.152 1.00 30.05 O ATOM 448 CB MET B 26 -12.519 -3.581 -7.316 1.00 30.39 C ATOM 449 CG MET B 26 -12.888 -5.031 -7.027 1.00 30.20 C ATOM 450 SD MET B 26 -12.004 -5.739 -5.635 1.00 33.19 S ATOM 451 CE MET B 26 -10.330 -5.750 -6.258 1.00 33.41 C ATOM 452 N THR B 27 -11.378 -0.795 -6.802 1.00 33.24 N ATOM 453 CA THR B 27 -10.924 0.493 -7.320 1.00 34.82 C ATOM 454 C THR B 27 -9.446 0.319 -7.669 1.00 38.49 C ATOM 455 O THR B 27 -8.849 -0.711 -7.351 1.00 39.61 O ATOM 456 CB THR B 27 -11.096 1.635 -6.274 1.00 35.02 C ATOM 457 OG1 THR B 27 -10.855 2.901 -6.905 1.00 35.73 O ATOM 458 CG2 THR B 27 -10.116 1.473 -5.113 1.00 29.16 C ATOM 459 N ARG B 28 -8.857 1.309 -8.331 1.00 44.21 N ATOM 460 CA ARG B 28 -7.447 1.239 -8.708 1.00 48.99 C ATOM 461 C ARG B 28 -6.632 2.359 -8.096 1.00 52.64 C ATOM 462 O ARG B 28 -7.053 3.517 -8.079 1.00 54.01 O ATOM 463 CB ARG B 28 -7.261 1.332 -10.220 1.00 48.69 C ATOM 464 CG ARG B 28 -7.376 0.033 -10.980 1.00 52.64 C ATOM 465 CD ARG B 28 -6.741 0.188 -12.364 1.00 53.80 C ATOM 466 NE ARG B 28 -5.280 0.182 -12.292 1.00 54.69 N ATOM 467 CZ ARG B 28 -4.539 -0.924 -12.239 1.00 55.76 C ATOM 468 NH1 ARG B 28 -5.117 -2.119 -12.259 1.00 54.85 N ATOM 469 NH2 ARG B 28 -3.218 -0.838 -12.142 1.00 54.77 N ATOM 470 N GLY B 29 -5.456 2.005 -7.598 1.00 55.00 N ATOM 471 CA GLY B 29 -4.573 3.003 -7.040 1.00 59.39 C ATOM 472 C GLY B 29 -3.552 3.263 -8.128 1.00 62.82 C ATOM 473 O GLY B 29 -3.455 2.484 -9.085 1.00 63.54 O ATOM 474 N LEU B 30 -2.798 4.349 -8.014 1.00 63.93 N ATOM 475 CA LEU B 30 -1.783 4.632 -9.016 1.00 65.64 C ATOM 476 C LEU B 30 -0.882 3.404 -9.141 1.00 66.00 C ATOM 477 O LEU B 30 -0.196 3.234 -10.149 1.00 67.10 O ATOM 478 CB LEU B 30 -0.939 5.844 -8.601 1.00 67.22 C ATOM 479 CG LEU B 30 0.362 6.117 -9.376 1.00 67.03 C ATOM 480 CD1 LEU B 30 0.043 6.533 -10.805 1.00 68.40 C ATOM 481 CD2 LEU B 30 1.160 7.208 -8.673 1.00 67.71 C ATOM 482 N LEU B 31 -0.903 2.538 -8.126 1.00 65.05 N ATOM 483 CA LEU B 31 -0.050 1.354 -8.129 1.00 63.83 C ATOM 484 C LEU B 31 -0.737 0.026 -7.828 1.00 62.48 C ATOM 485 O LEU B 31 -0.332 -0.688 -6.903 1.00 61.48 O ATOM 486 CB LEU B 31 1.088 1.551 -7.131 1.00 65.48 C ATOM 487 CG LEU B 31 1.780 2.917 -7.154 1.00 65.90 C ATOM 488 CD1 LEU B 31 2.839 2.940 -6.064 1.00 67.22 C ATOM 489 CD2 LEU B 31 2.396 3.184 -8.531 1.00 65.76 C ATOM 490 N GLY B 32 -1.763 -0.314 -8.603 1.00 60.06 N ATOM 491 CA GLY B 32 -2.443 -1.577 -8.380 1.00 56.34 C ATOM 492 C GLY B 32 -3.936 -1.486 -8.146 1.00 53.60 C ATOM 493 O GLY B 32 -4.471 -0.428 -7.810 1.00 54.31 O ATOM 494 N SER B 33 -4.608 -2.616 -8.317 1.00 49.34 N ATOM 495 CA SER B 33 -6.047 -2.695 -8.139 1.00 45.34 C ATOM 496 C SER B 33 -6.330 -3.334 -6.786 1.00 42.64 C ATOM 497 O SER B 33 -5.658 -4.296 -6.400 1.00 40.87 O ATOM 498 CB SER B 33 -6.644 -3.547 -9.256 1.00 46.90 C ATOM 499 OG SER B 33 -8.015 -3.266 -9.436 1.00 51.68 O ATOM 500 N TYR B 34 -7.321 -2.819 -6.061 1.00 38.64 N ATOM 501 CA TYR B 34 -7.625 -3.378 -4.743 1.00 35.47 C ATOM 502 C TYR B 34 -9.074 -3.211 -4.294 1.00 33.25 C ATOM 503 O TYR B 34 -9.843 -2.446 -4.885 1.00 34.16 O ATOM 504 CB TYR B 34 -6.706 -2.755 -3.687 1.00 31.77 C ATOM 505 CG TYR B 34 -6.957 -1.283 -3.476 1.00 30.43 C ATOM 506 CD1 TYR B 34 -6.396 -0.324 -4.324 1.00 30.80 C ATOM 507 CD2 TYR B 34 -7.782 -0.845 -2.447 1.00 30.20 C ATOM 508 CE1 TYR B 34 -6.653 1.041 -4.143 1.00 28.31 C ATOM 509 CE2 TYR B 34 -8.049 0.512 -2.260 1.00 27.85 C ATOM 510 CZ TYR B 34 -7.485 1.446 -3.103 1.00 29.40 C ATOM 511 OH TYR B 34 -7.753 2.783 -2.892 1.00 29.78 O ATOM 512 N GLN B 35 -9.427 -3.930 -3.232 1.00 31.49 N ATOM 513 CA GLN B 35 -10.774 -3.898 -2.667 1.00 31.44 C ATOM 514 C GLN B 35 -10.951 -2.743 -1.675 1.00 31.61 C ATOM 515 O GLN B 35 -10.234 -2.652 -0.681 1.00 33.10 O ATOM 516 CB GLN B 35 -11.068 -5.221 -1.962 1.00 29.14 C ATOM 517 CG GLN B 35 -12.467 -5.318 -1.367 1.00 29.35 C ATOM 518 CD GLN B 35 -12.685 -6.627 -0.631 1.00 29.79 C ATOM 519 OE1 GLN B 35 -12.359 -7.697 -1.147 1.00 31.42 O ATOM 520 NE2 GLN B 35 -13.241 -6.550 0.573 1.00 23.12 N ATOM 521 N ALA B 36 -11.912 -1.870 -1.950 1.00 29.07 N ATOM 522 CA ALA B 36 -12.184 -0.735 -1.083 1.00 29.44 C ATOM 523 C ALA B 36 -13.272 -1.081 -0.074 1.00 28.79 C ATOM 524 O ALA B 36 -13.359 -0.487 0.994 1.00 27.91 O ATOM 525 CB ALA B 36 -12.628 0.457 -1.917 1.00 26.79 C ATOM 526 N GLY B 37 -14.122 -2.032 -0.431 1.00 29.12 N ATOM 527 CA GLY B 37 -15.192 -2.402 0.462 1.00 27.14 C ATOM 528 C GLY B 37 -16.020 -3.517 -0.120 1.00 28.39 C ATOM 529 O GLY B 37 -15.526 -4.326 -0.917 1.00 27.73 O ATOM 530 N ALA B 38 -17.290 -3.554 0.268 1.00 27.33 N ATOM 531 CA ALA B 38 -18.186 -4.589 -0.207 1.00 26.75 C ATOM 532 C ALA B 38 -19.626 -4.118 -0.156 1.00 28.64 C ATOM 533 O ALA B 38 -19.912 -2.976 0.213 1.00 27.86 O ATOM 534 CB ALA B 38 -18.020 -5.843 0.644 1.00 25.24 C ATOM 535 N GLY B 39 -20.532 -5.012 -0.532 1.00 30.46 N ATOM 536 CA GLY B 39 -21.942 -4.680 -0.522 1.00 33.07 C ATOM 537 C GLY B 39 -22.761 -5.898 -0.885 1.00 33.82 C ATOM 538 O GLY B 39 -22.215 -6.975 -1.099 1.00 34.73 O ATOM 539 N VAL B 40 -24.072 -5.737 -0.965 1.00 35.12 N ATOM 540 CA VAL B 40 -24.918 -6.861 -1.305 1.00 36.79 C ATOM 541 C VAL B 40 -25.942 -6.488 -2.381 1.00 38.48 C ATOM 542 O VAL B 40 -26.555 -5.410 -2.346 1.00 36.82 O ATOM 543 CB VAL B 40 -25.628 -7.404 -0.041 1.00 38.22 C ATOM 544 CG1 VAL B 40 -26.685 -6.426 0.439 1.00 37.04 C ATOM 545 CG2 VAL B 40 -26.223 -8.751 -0.327 1.00 39.50 C ATOM 546 N MET B 41 -26.096 -7.379 -3.354 1.00 38.77 N ATOM 547 CA MET B 41 -27.037 -7.172 -4.444 1.00 40.29 C ATOM 548 C MET B 41 -28.290 -7.976 -4.103 1.00 40.39 C ATOM 549 O MET B 41 -28.240 -9.198 -3.957 1.00 40.46 O ATOM 550 CB MET B 41 -26.420 -7.667 -5.758 1.00 41.50 C ATOM 551 CG MET B 41 -27.181 -7.290 -7.023 1.00 41.66 C ATOM 552 SD MET B 41 -27.032 -5.544 -7.468 1.00 45.33 S ATOM 553 CE MET B 41 -25.527 -5.546 -8.437 1.00 40.63 C ATOM 554 N VAL B 42 -29.410 -7.282 -3.950 1.00 42.18 N ATOM 555 CA VAL B 42 -30.672 -7.936 -3.625 1.00 41.86 C ATOM 556 C VAL B 42 -31.811 -7.313 -4.426 1.00 43.38 C ATOM 557 O VAL B 42 -31.976 -6.083 -4.450 1.00 40.99 O ATOM 558 CB VAL B 42 -30.986 -7.821 -2.119 1.00 42.51 C ATOM 559 CG1 VAL B 42 -32.356 -8.419 -1.822 1.00 41.70 C ATOM 560 CG2 VAL B 42 -29.902 -8.545 -1.302 1.00 41.15 C ATOM 561 N GLU B 43 -32.589 -8.172 -5.084 1.00 42.94 N ATOM 562 CA GLU B 43 -33.713 -7.731 -5.905 1.00 43.39 C ATOM 563 C GLU B 43 -33.320 -6.632 -6.890 1.00 41.51 C ATOM 564 O GLU B 43 -33.989 -5.603 -6.990 1.00 40.93 O ATOM 565 CB GLU B 43 -34.864 -7.250 -5.013 1.00 45.63 C ATOM 566 CG GLU B 43 -35.516 -8.377 -4.211 1.00 51.36 C ATOM 567 CD GLU B 43 -36.754 -7.924 -3.446 1.00 54.87 C ATOM 568 OE1 GLU B 43 -37.669 -7.336 -4.071 1.00 56.32 O ATOM 569 OE2 GLU B 43 -36.815 -8.162 -2.221 1.00 56.74 O ATOM 570 N GLY B 44 -32.226 -6.859 -7.613 1.00 41.35 N ATOM 571 CA GLY B 44 -31.761 -5.892 -8.595 1.00 39.75 C ATOM 572 C GLY B 44 -31.157 -4.612 -8.035 1.00 39.48 C ATOM 573 O GLY B 44 -30.862 -3.682 -8.787 1.00 37.18 O ATOM 574 N VAL B 45 -30.963 -4.554 -6.721 1.00 39.49 N ATOM 575 CA VAL B 45 -30.394 -3.358 -6.106 1.00 38.70 C ATOM 576 C VAL B 45 -29.121 -3.649 -5.317 1.00 37.52 C ATOM 577 O VAL B 45 -29.034 -4.650 -4.593 1.00 37.09 O ATOM 578 CB VAL B 45 -31.422 -2.674 -5.185 1.00 38.66 C ATOM 579 CG1 VAL B 45 -30.809 -1.448 -4.524 1.00 39.71 C ATOM 580 CG2 VAL B 45 -32.645 -2.265 -6.003 1.00 41.49 C ATOM 581 N PHE B 46 -28.127 -2.780 -5.477 1.00 35.36 N ATOM 582 CA PHE B 46 -26.860 -2.939 -4.773 1.00 33.31 C ATOM 583 C PHE B 46 -26.844 -2.040 -3.547 1.00 31.91 C ATOM 584 O PHE B 46 -26.999 -0.822 -3.652 1.00 33.26 O ATOM 585 CB PHE B 46 -25.683 -2.588 -5.683 1.00 34.00 C ATOM 586 CG PHE B 46 -24.334 -2.828 -5.049 1.00 33.45 C ATOM 587 CD1 PHE B 46 -23.955 -4.105 -4.654 1.00 33.62 C ATOM 588 CD2 PHE B 46 -23.450 -1.775 -4.840 1.00 32.54 C ATOM 589 CE1 PHE B 46 -22.715 -4.332 -4.059 1.00 34.09 C ATOM 590 CE2 PHE B 46 -22.205 -1.989 -4.246 1.00 32.36 C ATOM 591 CZ PHE B 46 -21.837 -3.270 -3.855 1.00 32.27 C ATOM 592 N HIS B 47 -26.655 -2.653 -2.385 1.00 31.26 N ATOM 593 CA HIS B 47 -26.630 -1.933 -1.113 1.00 28.26 C ATOM 594 C HIS B 47 -25.235 -1.928 -0.513 1.00 26.36 C ATOM 595 O HIS B 47 -24.525 -2.929 -0.565 1.00 26.04 O ATOM 596 CB HIS B 47 -27.577 -2.600 -0.112 1.00 30.48 C ATOM 597 CG HIS B 47 -28.933 -2.917 -0.668 1.00 34.12 C ATOM 598 ND1 HIS B 47 -29.139 -3.896 -1.618 1.00 35.73 N ATOM 599 CD2 HIS B 47 -30.155 -2.399 -0.392 1.00 33.32 C ATOM 600 CE1 HIS B 47 -30.428 -3.969 -1.901 1.00 34.24 C ATOM 601 NE2 HIS B 47 -31.066 -3.072 -1.170 1.00 33.34 N ATOM 602 N THR B 48 -24.842 -0.801 0.063 1.00 24.57 N ATOM 603 CA THR B 48 -23.541 -0.697 0.704 1.00 25.04 C ATOM 604 C THR B 48 -23.575 0.504 1.629 1.00 24.87 C ATOM 605 O THR B 48 -24.614 1.141 1.770 1.00 23.44 O ATOM 606 CB THR B 48 -22.391 -0.530 -0.330 1.00 26.81 C ATOM 607 OG1 THR B 48 -21.130 -0.513 0.357 1.00 24.49 O ATOM 608 CG2 THR B 48 -22.553 0.761 -1.115 1.00 23.70 C ATOM 609 N LEU B 49 -22.454 0.798 2.280 1.00 23.82 N ATOM 610 CA LEU B 49 -22.397 1.948 3.168 1.00 24.33 C ATOM 611 C LEU B 49 -21.968 3.164 2.364 1.00 22.92 C ATOM 612 O LEU B 49 -21.184 3.056 1.427 1.00 24.33 O ATOM 613 CB LEU B 49 -21.421 1.692 4.325 1.00 23.00 C ATOM 614 CG LEU B 49 -21.819 0.491 5.190 1.00 24.00 C ATOM 615 CD1 LEU B 49 -20.816 0.278 6.307 1.00 27.06 C ATOM 616 CD2 LEU B 49 -23.204 0.735 5.769 1.00 25.67 C ATOM 617 N TRP B 50 -22.492 4.325 2.728 1.00 23.68 N ATOM 618 CA TRP B 50 -22.158 5.543 2.017 1.00 24.84 C ATOM 619 C TRP B 50 -20.662 5.801 1.944 1.00 25.64 C ATOM 620 O TRP B 50 -20.161 6.219 0.907 1.00 24.02 O ATOM 621 CB TRP B 50 -22.827 6.755 2.671 1.00 26.48 C ATOM 622 CG TRP B 50 -22.376 8.056 2.064 1.00 29.44 C ATOM 623 CD1 TRP B 50 -21.223 8.734 2.340 1.00 28.31 C ATOM 624 CD2 TRP B 50 -23.028 8.784 1.012 1.00 30.76 C ATOM 625 NE1 TRP B 50 -21.112 9.833 1.520 1.00 30.20 N ATOM 626 CE2 TRP B 50 -22.207 9.887 0.696 1.00 30.17 C ATOM 627 CE3 TRP B 50 -24.225 8.608 0.306 1.00 33.35 C ATOM 628 CZ2 TRP B 50 -22.544 10.814 -0.294 1.00 32.73 C ATOM 629 CZ3 TRP B 50 -24.564 9.531 -0.680 1.00 35.70 C ATOM 630 CH2 TRP B 50 -23.723 10.621 -0.970 1.00 35.42 C ATOM 631 N HIS B 51 -19.946 5.543 3.033 1.00 24.38 N ATOM 632 CA HIS B 51 -18.526 5.843 3.038 1.00 26.03 C ATOM 633 C HIS B 51 -17.604 4.979 2.193 1.00 25.26 C ATOM 634 O HIS B 51 -16.429 5.291 2.098 1.00 26.80 O ATOM 635 CB HIS B 51 -17.990 5.923 4.475 1.00 23.77 C ATOM 636 CG HIS B 51 -17.838 4.596 5.146 1.00 25.52 C ATOM 637 ND1 HIS B 51 -18.640 4.193 6.193 1.00 23.82 N ATOM 638 CD2 HIS B 51 -16.962 3.584 4.933 1.00 25.97 C ATOM 639 CE1 HIS B 51 -18.266 2.993 6.595 1.00 23.78 C ATOM 640 NE2 HIS B 51 -17.250 2.600 5.847 1.00 23.88 N ATOM 641 N THR B 52 -18.112 3.917 1.569 1.00 26.06 N ATOM 642 CA THR B 52 -17.246 3.084 0.732 1.00 27.24 C ATOM 643 C THR B 52 -17.034 3.686 -0.652 1.00 29.02 C ATOM 644 O THR B 52 -15.937 3.602 -1.203 1.00 30.39 O ATOM 645 CB THR B 52 -17.793 1.640 0.533 1.00 27.53 C ATOM 646 OG1 THR B 52 -19.131 1.691 0.013 1.00 27.92 O ATOM 647 CG2 THR B 52 -17.764 0.863 1.843 1.00 25.83 C ATOM 648 N THR B 53 -18.080 4.294 -1.208 1.00 30.24 N ATOM 649 CA THR B 53 -18.001 4.897 -2.543 1.00 30.77 C ATOM 650 C THR B 53 -18.307 6.404 -2.556 1.00 32.63 C ATOM 651 O THR B 53 -18.002 7.090 -3.532 1.00 30.87 O ATOM 652 CB THR B 53 -18.989 4.222 -3.517 1.00 32.45 C ATOM 653 OG1 THR B 53 -20.331 4.576 -3.148 1.00 34.12 O ATOM 654 CG2 THR B 53 -18.861 2.701 -3.461 1.00 28.90 C ATOM 655 N LYS B 54 -18.910 6.919 -1.485 1.00 32.96 N ATOM 656 CA LYS B 54 -19.261 8.336 -1.422 1.00 34.38 C ATOM 657 C LYS B 54 -20.222 8.701 -2.575 1.00 34.96 C ATOM 658 O LYS B 54 -20.156 9.795 -3.142 1.00 33.29 O ATOM 659 CB LYS B 54 -18.005 9.209 -1.514 1.00 37.08 C ATOM 660 CG LYS B 54 -16.977 8.977 -0.410 1.00 42.46 C ATOM 661 CD LYS B 54 -17.516 9.355 0.955 1.00 44.36 C ATOM 662 CE LYS B 54 -16.540 8.976 2.061 1.00 46.61 C ATOM 663 NZ LYS B 54 -15.287 9.777 2.039 1.00 48.44 N ATOM 664 N GLY B 55 -21.094 7.768 -2.934 1.00 33.63 N ATOM 665 CA GLY B 55 -22.062 8.030 -3.985 1.00 35.74 C ATOM 666 C GLY B 55 -21.579 8.029 -5.426 1.00 35.89 C ATOM 667 O GLY B 55 -22.308 8.448 -6.319 1.00 36.83 O ATOM 668 N ALA B 56 -20.361 7.562 -5.663 1.00 35.09 N ATOM 669 CA ALA B 56 -19.820 7.514 -7.017 1.00 34.69 C ATOM 670 C ALA B 56 -20.498 6.377 -7.788 1.00 35.61 C ATOM 671 O ALA B 56 -20.998 5.427 -7.185 1.00 37.31 O ATOM 672 CB ALA B 56 -18.301 7.286 -6.962 1.00 30.44 C ATOM 673 N ALA B 57 -20.520 6.476 -9.115 1.00 35.78 N ATOM 674 CA ALA B 57 -21.119 5.436 -9.956 1.00 34.92 C ATOM 675 C ALA B 57 -20.186 4.223 -9.965 1.00 33.66 C ATOM 676 O ALA B 57 -18.984 4.361 -9.755 1.00 33.77 O ATOM 677 CB ALA B 57 -21.320 5.954 -11.380 1.00 33.18 C ATOM 678 N LEU B 58 -20.742 3.045 -10.222 1.00 33.89 N ATOM 679 CA LEU B 58 -19.967 1.812 -10.228 1.00 35.71 C ATOM 680 C LEU B 58 -20.189 0.976 -11.481 1.00 38.44 C ATOM 681 O LEU B 58 -21.293 0.944 -12.022 1.00 39.28 O ATOM 682 CB LEU B 58 -20.364 0.945 -9.031 1.00 35.18 C ATOM 683 CG LEU B 58 -20.227 1.464 -7.598 1.00 35.59 C ATOM 684 CD1 LEU B 58 -21.058 0.586 -6.674 1.00 33.45 C ATOM 685 CD2 LEU B 58 -18.750 1.472 -7.183 1.00 32.99 C ATOM 686 N MET B 59 -19.136 0.299 -11.933 1.00 38.57 N ATOM 687 CA MET B 59 -19.245 -0.592 -13.075 1.00 39.87 C ATOM 688 C MET B 59 -19.616 -1.959 -12.520 1.00 40.66 C ATOM 689 O MET B 59 -19.115 -2.382 -11.475 1.00 40.82 O ATOM 690 CB MET B 59 -17.919 -0.728 -13.834 1.00 41.11 C ATOM 691 CG MET B 59 -17.634 0.366 -14.839 1.00 46.10 C ATOM 692 SD MET B 59 -19.026 0.679 -15.954 1.00 50.23 S ATOM 693 CE MET B 59 -19.214 2.432 -15.711 1.00 47.12 C ATOM 694 N SER B 60 -20.499 -2.646 -13.224 1.00 41.67 N ATOM 695 CA SER B 60 -20.925 -3.969 -12.825 1.00 42.73 C ATOM 696 C SER B 60 -21.010 -4.790 -14.102 1.00 45.12 C ATOM 697 O SER B 60 -21.988 -4.697 -14.849 1.00 43.94 O ATOM 698 CB SER B 60 -22.286 -3.894 -12.145 1.00 41.04 C ATOM 699 OG SER B 60 -22.675 -5.174 -11.687 1.00 45.18 O ATOM 700 N GLY B 61 -19.977 -5.585 -14.356 1.00 47.51 N ATOM 701 CA GLY B 61 -19.956 -6.389 -15.561 1.00 49.58 C ATOM 702 C GLY B 61 -19.808 -5.471 -16.763 1.00 52.43 C ATOM 703 O GLY B 61 -18.858 -4.691 -16.848 1.00 51.35 O ATOM 704 N GLU B 62 -20.760 -5.540 -17.686 1.00 53.65 N ATOM 705 CA GLU B 62 -20.707 -4.709 -18.878 1.00 56.58 C ATOM 706 C GLU B 62 -21.370 -3.346 -18.684 1.00 55.42 C ATOM 707 O GLU B 62 -21.052 -2.384 -19.389 1.00 56.52 O ATOM 708 CB GLU B 62 -21.359 -5.452 -20.048 1.00 58.82 C ATOM 709 CG GLU B 62 -20.607 -6.713 -20.454 1.00 63.03 C ATOM 710 CD GLU B 62 -19.284 -6.411 -21.150 1.00 66.47 C ATOM 711 OE1 GLU B 62 -18.413 -7.312 -21.182 1.00 67.46 O ATOM 712 OE2 GLU B 62 -19.119 -5.281 -21.673 1.00 66.97 O ATOM 713 N GLY B 63 -22.276 -3.255 -17.719 1.00 53.00 N ATOM 714 CA GLY B 63 -22.960 -1.996 -17.494 1.00 51.03 C ATOM 715 C GLY B 63 -22.515 -1.157 -16.309 1.00 50.12 C ATOM 716 O GLY B 63 -21.613 -1.515 -15.552 1.00 48.14 O ATOM 717 N ARG B 64 -23.186 -0.024 -16.156 1.00 49.19 N ATOM 718 CA ARG B 64 -22.910 0.928 -15.095 1.00 49.70 C ATOM 719 C ARG B 64 -24.082 0.945 -14.116 1.00 50.21 C ATOM 720 O ARG B 64 -25.220 0.635 -14.487 1.00 51.09 O ATOM 721 CB ARG B 64 -22.726 2.309 -15.721 1.00 49.37 C ATOM 722 CG ARG B 64 -22.536 3.463 -14.771 1.00 51.16 C ATOM 723 CD ARG B 64 -23.293 4.653 -15.326 1.00 54.73 C ATOM 724 NE ARG B 64 -22.912 5.932 -14.738 1.00 59.17 N ATOM 725 CZ ARG B 64 -21.772 6.564 -15.002 1.00 61.08 C ATOM 726 NH1 ARG B 64 -20.896 6.026 -15.843 1.00 62.03 N ATOM 727 NH2 ARG B 64 -21.517 7.743 -14.444 1.00 60.61 N ATOM 728 N LEU B 65 -23.800 1.285 -12.864 1.00 47.20 N ATOM 729 CA LEU B 65 -24.841 1.367 -11.851 1.00 46.10 C ATOM 730 C LEU B 65 -24.781 2.760 -11.263 1.00 45.91 C ATOM 731 O LEU B 65 -23.722 3.206 -10.828 1.00 45.88 O ATOM 732 CB LEU B 65 -24.616 0.347 -10.736 1.00 45.46 C ATOM 733 CG LEU B 65 -24.727 -1.134 -11.085 1.00 46.21 C ATOM 734 CD1 LEU B 65 -24.411 -1.955 -9.847 1.00 44.51 C ATOM 735 CD2 LEU B 65 -26.122 -1.450 -11.595 1.00 45.60 C ATOM 736 N ASP B 66 -25.910 3.455 -11.260 1.00 45.99 N ATOM 737 CA ASP B 66 -25.945 4.795 -10.706 1.00 47.44 C ATOM 738 C ASP B 66 -26.652 4.759 -9.366 1.00 45.85 C ATOM 739 O ASP B 66 -27.561 3.953 -9.155 1.00 46.55 O ATOM 740 CB ASP B 66 -26.638 5.758 -11.675 1.00 51.26 C ATOM 741 CG ASP B 66 -25.718 6.201 -12.812 1.00 54.26 C ATOM 742 OD1 ASP B 66 -24.765 6.975 -12.552 1.00 54.63 O ATOM 743 OD2 ASP B 66 -25.945 5.765 -13.963 1.00 55.90 O ATOM 744 N PRO B 67 -26.223 5.614 -8.428 1.00 44.12 N ATOM 745 CA PRO B 67 -26.854 5.630 -7.111 1.00 44.68 C ATOM 746 C PRO B 67 -28.302 6.096 -7.171 1.00 45.36 C ATOM 747 O PRO B 67 -28.644 7.030 -7.902 1.00 45.75 O ATOM 748 CB PRO B 67 -25.949 6.566 -6.309 1.00 43.39 C ATOM 749 CG PRO B 67 -25.459 7.515 -7.340 1.00 43.54 C ATOM 750 CD PRO B 67 -25.144 6.612 -8.507 1.00 43.21 C ATOM 751 N TYR B 68 -29.152 5.421 -6.408 1.00 44.32 N ATOM 752 CA TYR B 68 -30.565 5.753 -6.358 1.00 44.28 C ATOM 753 C TYR B 68 -30.793 6.659 -5.163 1.00 41.95 C ATOM 754 O TYR B 68 -31.240 7.796 -5.303 1.00 41.93 O ATOM 755 CB TYR B 68 -31.388 4.479 -6.196 1.00 49.10 C ATOM 756 CG TYR B 68 -32.882 4.694 -6.216 1.00 53.80 C ATOM 757 CD1 TYR B 68 -33.569 4.851 -7.421 1.00 56.73 C ATOM 758 CD2 TYR B 68 -33.614 4.712 -5.032 1.00 56.22 C ATOM 759 CE1 TYR B 68 -34.952 5.014 -7.445 1.00 58.03 C ATOM 760 CE2 TYR B 68 -34.997 4.876 -5.044 1.00 58.33 C ATOM 761 CZ TYR B 68 -35.657 5.023 -6.253 1.00 59.54 C ATOM 762 OH TYR B 68 -37.027 5.170 -6.270 1.00 62.42 O ATOM 763 N TRP B 69 -30.464 6.141 -3.985 1.00 38.82 N ATOM 764 CA TRP B 69 -30.624 6.872 -2.738 1.00 36.88 C ATOM 765 C TRP B 69 -29.424 6.667 -1.813 1.00 36.13 C ATOM 766 O TRP B 69 -28.771 5.625 -1.836 1.00 37.32 O ATOM 767 CB TRP B 69 -31.897 6.408 -2.018 1.00 36.28 C ATOM 768 CG TRP B 69 -32.040 7.004 -0.658 1.00 34.41 C ATOM 769 CD1 TRP B 69 -32.521 8.245 -0.350 1.00 33.82 C ATOM 770 CD2 TRP B 69 -31.624 6.415 0.579 1.00 32.46 C ATOM 771 NE1 TRP B 69 -32.427 8.465 1.003 1.00 33.34 N ATOM 772 CE2 TRP B 69 -31.879 7.358 1.597 1.00 32.92 C ATOM 773 CE3 TRP B 69 -31.054 5.183 0.924 1.00 32.06 C ATOM 774 CZ2 TRP B 69 -31.588 7.106 2.938 1.00 33.98 C ATOM 775 CZ3 TRP B 69 -30.764 4.933 2.250 1.00 32.65 C ATOM 776 CH2 TRP B 69 -31.029 5.890 3.244 1.00 35.30 C ATOM 777 N GLY B 70 -29.147 7.668 -0.989 1.00 35.85 N ATOM 778 CA GLY B 70 -28.039 7.577 -0.060 1.00 35.81 C ATOM 779 C GLY B 70 -28.206 8.614 1.027 1.00 35.80 C ATOM 780 O GLY B 70 -28.840 9.645 0.800 1.00 36.84 O ATOM 781 N SER B 71 -27.653 8.342 2.205 1.00 33.72 N ATOM 782 CA SER B 71 -27.732 9.270 3.326 1.00 31.89 C ATOM 783 C SER B 71 -26.409 9.248 4.064 1.00 32.71 C ATOM 784 O SER B 71 -25.983 8.202 4.549 1.00 34.87 O ATOM 785 CB SER B 71 -28.852 8.863 4.285 1.00 32.44 C ATOM 786 OG SER B 71 -28.826 9.646 5.466 1.00 29.81 O ATOM 787 N VAL B 72 -25.748 10.396 4.132 1.00 31.46 N ATOM 788 CA VAL B 72 -24.474 10.477 4.823 1.00 32.59 C ATOM 789 C VAL B 72 -24.707 10.138 6.295 1.00 33.38 C ATOM 790 O VAL B 72 -24.060 9.252 6.845 1.00 31.39 O ATOM 791 CB VAL B 72 -23.850 11.905 4.696 1.00 30.93 C ATOM 792 CG1 VAL B 72 -22.593 12.002 5.542 1.00 28.53 C ATOM 793 CG2 VAL B 72 -23.519 12.207 3.221 1.00 28.67 C ATOM 794 N LYS B 73 -25.658 10.845 6.902 1.00 35.76 N ATOM 795 CA LYS B 73 -26.031 10.677 8.307 1.00 37.27 C ATOM 796 C LYS B 73 -26.304 9.213 8.674 1.00 37.10 C ATOM 797 O LYS B 73 -25.900 8.746 9.737 1.00 37.11 O ATOM 798 CB LYS B 73 -27.266 11.546 8.601 1.00 39.00 C ATOM 799 CG LYS B 73 -27.829 11.457 10.019 1.00 42.70 C ATOM 800 CD LYS B 73 -26.887 12.044 11.044 1.00 45.26 C ATOM 801 CE LYS B 73 -27.471 11.963 12.452 1.00 46.10 C ATOM 802 NZ LYS B 73 -28.715 12.767 12.590 1.00 48.82 N ATOM 803 N GLU B 74 -26.986 8.489 7.795 1.00 38.00 N ATOM 804 CA GLU B 74 -27.281 7.085 8.056 1.00 39.42 C ATOM 805 C GLU B 74 -26.200 6.150 7.519 1.00 37.99 C ATOM 806 O GLU B 74 -26.207 4.949 7.809 1.00 36.70 O ATOM 807 CB GLU B 74 -28.622 6.705 7.443 1.00 42.30 C ATOM 808 CG GLU B 74 -29.792 7.458 8.023 1.00 48.05 C ATOM 809 CD GLU B 74 -31.101 6.817 7.661 1.00 51.33 C ATOM 810 OE1 GLU B 74 -31.366 5.700 8.160 1.00 55.31 O ATOM 811 OE2 GLU B 74 -31.859 7.421 6.870 1.00 54.92 O ATOM 812 N ASP B 75 -25.276 6.715 6.744 1.00 35.72 N ATOM 813 CA ASP B 75 -24.170 5.977 6.143 1.00 34.03 C ATOM 814 C ASP B 75 -24.681 4.813 5.314 1.00 33.46 C ATOM 815 O ASP B 75 -24.148 3.706 5.386 1.00 33.66 O ATOM 816 CB ASP B 75 -23.205 5.455 7.214 1.00 33.35 C ATOM 817 CG ASP B 75 -21.779 5.287 6.687 1.00 35.19 C ATOM 818 OD1 ASP B 75 -21.588 5.289 5.450 1.00 35.55 O ATOM 819 OD2 ASP B 75 -20.842 5.145 7.507 1.00 34.92 O ATOM 820 N ARG B 76 -25.723 5.067 4.529 1.00 33.26 N ATOM 821 CA ARG B 76 -26.290 4.038 3.671 1.00 32.54 C ATOM 822 C ARG B 76 -26.448 4.523 2.241 1.00 32.28 C ATOM 823 O ARG B 76 -26.724 5.701 1.995 1.00 32.96 O ATOM 824 CB ARG B 76 -27.629 3.558 4.230 1.00 33.80 C ATOM 825 CG ARG B 76 -27.461 2.695 5.462 1.00 33.43 C ATOM 826 CD ARG B 76 -28.751 2.002 5.848 1.00 35.97 C ATOM 827 NE ARG B 76 -29.801 2.952 6.199 1.00 36.66 N ATOM 828 CZ ARG B 76 -30.942 3.076 5.533 1.00 38.27 C ATOM 829 NH1 ARG B 76 -31.178 2.308 4.477 1.00 38.00 N ATOM 830 NH2 ARG B 76 -31.850 3.960 5.929 1.00 37.37 N ATOM 831 N LEU B 77 -26.292 3.600 1.298 1.00 31.60 N ATOM 832 CA LEU B 77 -26.365 3.936 -0.112 1.00 31.42 C ATOM 833 C LEU B 77 -26.803 2.744 -0.960 1.00 33.31 C ATOM 834 O LEU B 77 -26.339 1.623 -0.750 1.00 34.41 O ATOM 835 CB LEU B 77 -24.973 4.406 -0.554 1.00 30.21 C ATOM 836 CG LEU B 77 -24.682 4.736 -2.018 1.00 30.06 C ATOM 837 CD1 LEU B 77 -25.503 5.940 -2.453 1.00 30.02 C ATOM 838 CD2 LEU B 77 -23.199 5.029 -2.181 1.00 27.38 C ATOM 839 N CYS B 78 -27.695 2.978 -1.919 1.00 33.76 N ATOM 840 CA CYS B 78 -28.136 1.903 -2.807 1.00 33.67 C ATOM 841 C CYS B 78 -28.137 2.347 -4.276 1.00 32.66 C ATOM 842 O CYS B 78 -28.353 3.517 -4.580 1.00 31.46 O ATOM 843 CB CYS B 78 -29.519 1.394 -2.394 1.00 34.41 C ATOM 844 SG CYS B 78 -30.784 2.653 -2.258 1.00 41.29 S ATOM 845 N TYR B 79 -27.875 1.396 -5.172 1.00 33.76 N ATOM 846 CA TYR B 79 -27.802 1.636 -6.617 1.00 33.98 C ATOM 847 C TYR B 79 -28.817 0.797 -7.389 1.00 35.75 C ATOM 848 O TYR B 79 -29.119 -0.333 -7.005 1.00 35.56 O ATOM 849 CB TYR B 79 -26.423 1.249 -7.162 1.00 33.48 C ATOM 850 CG TYR B 79 -25.237 1.998 -6.611 1.00 32.59 C ATOM 851 CD1 TYR B 79 -24.477 2.827 -7.437 1.00 31.82 C ATOM 852 CD2 TYR B 79 -24.845 1.851 -5.281 1.00 32.59 C ATOM 853 CE1 TYR B 79 -23.360 3.487 -6.957 1.00 32.52 C ATOM 854 CE2 TYR B 79 -23.717 2.515 -4.787 1.00 32.52 C ATOM 855 CZ TYR B 79 -22.985 3.328 -5.635 1.00 31.33 C ATOM 856 OH TYR B 79 -21.881 3.990 -5.166 1.00 35.24 O ATOM 857 N GLY B 80 -29.312 1.347 -8.495 1.00 38.84 N ATOM 858 CA GLY B 80 -30.256 0.629 -9.339 1.00 42.80 C ATOM 859 C GLY B 80 -31.680 0.495 -8.840 1.00 45.91 C ATOM 860 O GLY B 80 -32.454 -0.299 -9.379 1.00 48.73 O ATOM 861 N GLY B 81 -32.038 1.265 -7.821 1.00 46.64 N ATOM 862 CA GLY B 81 -33.381 1.186 -7.287 1.00 47.02 C ATOM 863 C GLY B 81 -33.400 1.497 -5.807 1.00 48.31 C ATOM 864 O GLY B 81 -32.348 1.703 -5.205 1.00 49.54 O ATOM 865 N PRO B 82 -34.587 1.541 -5.188 1.00 49.59 N ATOM 866 CA PRO B 82 -34.745 1.832 -3.759 1.00 48.00 C ATOM 867 C PRO B 82 -34.291 0.690 -2.846 1.00 45.90 C ATOM 868 O PRO B 82 -34.219 -0.464 -3.263 1.00 44.30 O ATOM 869 CB PRO B 82 -36.236 2.121 -3.639 1.00 49.95 C ATOM 870 CG PRO B 82 -36.824 1.165 -4.649 1.00 51.85 C ATOM 871 CD PRO B 82 -35.897 1.326 -5.835 1.00 50.30 C ATOM 872 N TRP B 83 -33.985 1.037 -1.598 1.00 46.63 N ATOM 873 CA TRP B 83 -33.522 0.090 -0.582 1.00 45.69 C ATOM 874 C TRP B 83 -34.480 -1.102 -0.433 1.00 47.67 C ATOM 875 O TRP B 83 -35.641 -0.940 -0.043 1.00 46.52 O ATOM 876 CB TRP B 83 -33.365 0.841 0.747 1.00 44.36 C ATOM 877 CG TRP B 83 -32.585 0.111 1.795 1.00 43.72 C ATOM 878 CD1 TRP B 83 -33.073 -0.770 2.712 1.00 42.50 C ATOM 879 CD2 TRP B 83 -31.165 0.159 1.997 1.00 43.43 C ATOM 880 NE1 TRP B 83 -32.047 -1.278 3.475 1.00 43.79 N ATOM 881 CE2 TRP B 83 -30.864 -0.725 3.058 1.00 44.44 C ATOM 882 CE3 TRP B 83 -30.118 0.862 1.384 1.00 42.71 C ATOM 883 CZ2 TRP B 83 -29.554 -0.929 3.520 1.00 42.35 C ATOM 884 CZ3 TRP B 83 -28.813 0.659 1.843 1.00 44.07 C ATOM 885 CH2 TRP B 83 -28.547 -0.230 2.902 1.00 43.20 C ATOM 886 N GLN B 84 -33.978 -2.298 -0.732 1.00 49.09 N ATOM 887 CA GLN B 84 -34.775 -3.522 -0.674 1.00 51.32 C ATOM 888 C GLN B 84 -34.630 -4.362 0.592 1.00 53.39 C ATOM 889 O GLN B 84 -35.399 -5.301 0.803 1.00 53.36 O ATOM 890 CB GLN B 84 -34.446 -4.399 -1.882 1.00 53.48 C ATOM 891 CG GLN B 84 -34.519 -3.663 -3.214 1.00 56.72 C ATOM 892 CD GLN B 84 -35.921 -3.180 -3.549 1.00 59.55 C ATOM 893 OE1 GLN B 84 -36.650 -2.689 -2.678 1.00 62.12 O ATOM 894 NE2 GLN B 84 -36.302 -3.302 -4.820 1.00 59.11 N ATOM 895 N LEU B 85 -33.646 -4.044 1.427 1.00 55.04 N ATOM 896 CA LEU B 85 -33.433 -4.802 2.657 1.00 55.58 C ATOM 897 C LEU B 85 -34.403 -4.310 3.724 1.00 57.14 C ATOM 898 O LEU B 85 -34.590 -3.106 3.880 1.00 56.93 O ATOM 899 CB LEU B 85 -31.991 -4.622 3.137 1.00 54.33 C ATOM 900 CG LEU B 85 -30.898 -4.824 2.082 1.00 54.29 C ATOM 901 CD1 LEU B 85 -29.531 -4.599 2.717 1.00 51.98 C ATOM 902 CD2 LEU B 85 -30.991 -6.224 1.493 1.00 51.60 C ATOM 903 N GLN B 86 -35.026 -5.229 4.459 1.00 59.64 N ATOM 904 CA GLN B 86 -35.972 -4.816 5.494 1.00 62.24 C ATOM 905 C GLN B 86 -35.978 -5.674 6.752 1.00 61.39 C ATOM 906 O GLN B 86 -36.775 -5.438 7.657 1.00 61.94 O ATOM 907 CB GLN B 86 -37.400 -4.749 4.930 1.00 65.17 C ATOM 908 CG GLN B 86 -38.075 -6.092 4.680 1.00 67.85 C ATOM 909 CD GLN B 86 -37.540 -6.807 3.457 1.00 71.07 C ATOM 910 OE1 GLN B 86 -36.410 -7.303 3.453 1.00 71.96 O ATOM 911 NE2 GLN B 86 -38.351 -6.857 2.402 1.00 71.29 N ATOM 912 N HIS B 87 -35.098 -6.665 6.812 1.00 59.98 N ATOM 913 CA HIS B 87 -35.022 -7.526 7.984 1.00 59.57 C ATOM 914 C HIS B 87 -34.139 -6.916 9.059 1.00 58.47 C ATOM 915 O HIS B 87 -33.078 -6.372 8.766 1.00 58.89 O ATOM 916 CB HIS B 87 -34.491 -8.897 7.586 1.00 61.41 C ATOM 917 CG HIS B 87 -35.488 -9.726 6.846 1.00 64.52 C ATOM 918 ND1 HIS B 87 -36.134 -10.800 7.419 1.00 66.37 N ATOM 919 CD2 HIS B 87 -35.987 -9.611 5.593 1.00 65.87 C ATOM 920 CE1 HIS B 87 -36.987 -11.311 6.550 1.00 66.52 C ATOM 921 NE2 HIS B 87 -36.918 -10.607 5.435 1.00 66.71 N ATOM 922 N LYS B 88 -34.588 -7.002 10.306 1.00 57.61 N ATOM 923 CA LYS B 88 -33.838 -6.458 11.431 1.00 57.59 C ATOM 924 C LYS B 88 -33.538 -7.527 12.478 1.00 55.88 C ATOM 925 O LYS B 88 -34.200 -8.562 12.538 1.00 56.15 O ATOM 926 CB LYS B 88 -34.616 -5.315 12.097 1.00 59.84 C ATOM 927 CG LYS B 88 -34.715 -4.038 11.275 1.00 63.47 C ATOM 928 CD LYS B 88 -35.685 -4.181 10.117 1.00 67.21 C ATOM 929 CE LYS B 88 -37.122 -4.392 10.608 1.00 69.86 C ATOM 930 NZ LYS B 88 -37.682 -3.182 11.281 1.00 70.03 N ATOM 931 N TRP B 89 -32.527 -7.269 13.297 1.00 53.73 N ATOM 932 CA TRP B 89 -32.147 -8.187 14.363 1.00 51.52 C ATOM 933 C TRP B 89 -33.250 -8.102 15.417 1.00 52.06 C ATOM 934 O TRP B 89 -33.758 -7.013 15.694 1.00 51.71 O ATOM 935 CB TRP B 89 -30.804 -7.751 14.953 1.00 47.17 C ATOM 936 CG TRP B 89 -30.370 -8.518 16.155 1.00 44.87 C ATOM 937 CD1 TRP B 89 -30.244 -9.877 16.267 1.00 43.07 C ATOM 938 CD2 TRP B 89 -29.949 -7.971 17.409 1.00 43.84 C ATOM 939 NE1 TRP B 89 -29.767 -10.206 17.514 1.00 43.49 N ATOM 940 CE2 TRP B 89 -29.577 -9.055 18.234 1.00 43.60 C ATOM 941 CE3 TRP B 89 -29.847 -6.668 17.916 1.00 42.11 C ATOM 942 CZ2 TRP B 89 -29.111 -8.875 19.539 1.00 42.98 C ATOM 943 CZ3 TRP B 89 -29.384 -6.490 19.215 1.00 40.50 C ATOM 944 CH2 TRP B 89 -29.022 -7.587 20.010 1.00 42.93 C ATOM 945 N ASN B 90 -33.630 -9.238 15.995 1.00 53.05 N ATOM 946 CA ASN B 90 -34.687 -9.240 17.002 1.00 54.67 C ATOM 947 C ASN B 90 -34.187 -9.057 18.424 1.00 55.75 C ATOM 948 O ASN B 90 -34.935 -9.267 19.377 1.00 56.78 O ATOM 949 CB ASN B 90 -35.509 -10.525 16.919 1.00 54.73 C ATOM 950 CG ASN B 90 -34.649 -11.765 16.871 1.00 55.24 C ATOM 951 OD1 ASN B 90 -33.740 -11.947 17.682 1.00 56.53 O ATOM 952 ND2 ASN B 90 -34.938 -12.636 15.917 1.00 55.96 N ATOM 953 N GLY B 91 -32.925 -8.667 18.565 1.00 56.13 N ATOM 954 CA GLY B 91 -32.359 -8.443 19.884 1.00 57.29 C ATOM 955 C GLY B 91 -32.164 -9.684 20.733 1.00 58.19 C ATOM 956 O GLY B 91 -31.843 -9.586 21.917 1.00 58.47 O ATOM 957 N GLN B 92 -32.332 -10.856 20.134 1.00 59.21 N ATOM 958 CA GLN B 92 -32.187 -12.098 20.878 1.00 60.68 C ATOM 959 C GLN B 92 -31.222 -13.083 20.241 1.00 60.57 C ATOM 960 O GLN B 92 -30.190 -13.424 20.818 1.00 60.16 O ATOM 961 CB GLN B 92 -33.549 -12.774 21.020 1.00 62.82 C ATOM 962 CG GLN B 92 -34.557 -11.985 21.831 1.00 67.08 C ATOM 963 CD GLN B 92 -35.977 -12.464 21.604 1.00 69.86 C ATOM 964 OE1 GLN B 92 -36.264 -13.663 21.690 1.00 71.29 O ATOM 965 NE2 GLN B 92 -36.878 -11.528 21.314 1.00 70.98 N ATOM 966 N ASP B 93 -31.575 -13.539 19.046 1.00 60.49 N ATOM 967 CA ASP B 93 -30.770 -14.517 18.333 1.00 60.20 C ATOM 968 C ASP B 93 -29.360 -14.051 18.031 1.00 59.10 C ATOM 969 O ASP B 93 -29.051 -12.858 18.089 1.00 59.72 O ATOM 970 CB ASP B 93 -31.447 -14.895 17.018 1.00 62.21 C ATOM 971 CG ASP B 93 -32.904 -15.264 17.198 1.00 64.42 C ATOM 972 OD1 ASP B 93 -33.203 -16.136 18.042 1.00 64.13 O ATOM 973 OD2 ASP B 93 -33.750 -14.685 16.487 1.00 66.16 O ATOM 974 N GLU B 94 -28.501 -15.016 17.728 1.00 56.36 N ATOM 975 CA GLU B 94 -27.136 -14.718 17.351 1.00 53.56 C ATOM 976 C GLU B 94 -27.252 -14.446 15.861 1.00 50.58 C ATOM 977 O GLU B 94 -28.247 -14.823 15.232 1.00 48.90 O ATOM 978 CB GLU B 94 -26.223 -15.920 17.599 1.00 55.05 C ATOM 979 CG GLU B 94 -25.930 -16.169 19.065 1.00 59.96 C ATOM 980 CD GLU B 94 -24.990 -17.335 19.284 1.00 63.35 C ATOM 981 OE1 GLU B 94 -23.867 -17.305 18.736 1.00 67.12 O ATOM 982 OE2 GLU B 94 -25.371 -18.280 20.007 1.00 65.24 O ATOM 983 N VAL B 95 -26.252 -13.779 15.299 1.00 47.44 N ATOM 984 CA VAL B 95 -26.270 -13.461 13.879 1.00 44.52 C ATOM 985 C VAL B 95 -24.975 -13.920 13.254 1.00 43.28 C ATOM 986 O VAL B 95 -24.079 -14.408 13.939 1.00 42.91 O ATOM 987 CB VAL B 95 -26.412 -11.935 13.627 1.00 41.38 C ATOM 988 CG1 VAL B 95 -27.628 -11.401 14.342 1.00 42.09 C ATOM 989 CG2 VAL B 95 -25.165 -11.211 14.092 1.00 38.12 C ATOM 990 N GLN B 96 -24.884 -13.749 11.944 1.00 42.77 N ATOM 991 CA GLN B 96 -23.695 -14.128 11.214 1.00 42.21 C ATOM 992 C GLN B 96 -23.293 -13.019 10.248 1.00 40.85 C ATOM 993 O GLN B 96 -24.142 -12.390 9.607 1.00 40.13 O ATOM 994 CB GLN B 96 -23.938 -15.435 10.450 1.00 42.96 C ATOM 995 CG GLN B 96 -23.257 -16.639 11.078 1.00 47.16 C ATOM 996 CD GLN B 96 -23.537 -17.937 10.339 1.00 48.77 C ATOM 997 OE1 GLN B 96 -23.431 -18.007 9.112 1.00 48.52 O ATOM 998 NE2 GLN B 96 -23.882 -18.978 11.089 1.00 49.09 N ATOM 999 N MET B 97 -21.992 -12.770 10.168 1.00 38.23 N ATOM 1000 CA MET B 97 -21.473 -11.760 9.263 1.00 37.67 C ATOM 1001 C MET B 97 -20.772 -12.474 8.129 1.00 36.36 C ATOM 1002 O MET B 97 -19.991 -13.401 8.351 1.00 33.62 O ATOM 1003 CB MET B 97 -20.464 -10.844 9.969 1.00 38.39 C ATOM 1004 CG MET B 97 -19.770 -9.853 9.030 1.00 37.06 C ATOM 1005 SD MET B 97 -18.620 -8.739 9.883 1.00 43.49 S ATOM 1006 CE MET B 97 -17.472 -8.271 8.571 1.00 39.41 C ATOM 1007 N ILE B 98 -21.058 -12.047 6.911 1.00 36.35 N ATOM 1008 CA ILE B 98 -20.414 -12.635 5.752 1.00 36.04 C ATOM 1009 C ILE B 98 -19.179 -11.780 5.463 1.00 35.80 C ATOM 1010 O ILE B 98 -19.217 -10.814 4.700 1.00 35.88 O ATOM 1011 CB ILE B 98 -21.386 -12.676 4.568 1.00 35.02 C ATOM 1012 CG1 ILE B 98 -22.599 -13.537 4.957 1.00 34.37 C ATOM 1013 CG2 ILE B 98 -20.699 -13.248 3.346 1.00 34.43 C ATOM 1014 CD1 ILE B 98 -23.670 -13.655 3.890 1.00 34.31 C ATOM 1015 N VAL B 99 -18.081 -12.160 6.108 1.00 34.30 N ATOM 1016 CA VAL B 99 -16.822 -11.453 6.002 1.00 34.32 C ATOM 1017 C VAL B 99 -16.180 -11.423 4.623 1.00 36.41 C ATOM 1018 O VAL B 99 -15.696 -12.443 4.112 1.00 37.64 O ATOM 1019 CB VAL B 99 -15.811 -12.024 6.996 1.00 35.38 C ATOM 1020 CG1 VAL B 99 -14.578 -11.134 7.043 1.00 31.43 C ATOM 1021 CG2 VAL B 99 -16.466 -12.153 8.376 1.00 32.65 C ATOM 1022 N VAL B 100 -16.168 -10.235 4.029 1.00 35.27 N ATOM 1023 CA VAL B 100 -15.572 -10.048 2.718 1.00 34.86 C ATOM 1024 C VAL B 100 -14.267 -9.313 2.954 1.00 35.04 C ATOM 1025 O VAL B 100 -14.196 -8.100 2.799 1.00 35.13 O ATOM 1026 CB VAL B 100 -16.461 -9.185 1.804 1.00 33.32 C ATOM 1027 CG1 VAL B 100 -16.021 -9.346 0.364 1.00 31.53 C ATOM 1028 CG2 VAL B 100 -17.917 -9.572 1.973 1.00 31.99 C ATOM 1029 N GLU B 101 -13.240 -10.054 3.346 1.00 36.73 N ATOM 1030 CA GLU B 101 -11.935 -9.473 3.623 1.00 38.11 C ATOM 1031 C GLU B 101 -11.090 -9.403 2.354 1.00 38.67 C ATOM 1032 O GLU B 101 -11.020 -10.363 1.582 1.00 37.57 O ATOM 1033 CB GLU B 101 -11.223 -10.309 4.686 1.00 39.68 C ATOM 1034 CG GLU B 101 -9.866 -9.777 5.110 1.00 44.46 C ATOM 1035 CD GLU B 101 -9.202 -10.674 6.139 1.00 48.07 C ATOM 1036 OE1 GLU B 101 -9.908 -11.142 7.061 1.00 49.09 O ATOM 1037 OE2 GLU B 101 -7.978 -10.904 6.035 1.00 51.79 O ATOM 1038 N PRO B 102 -10.438 -8.257 2.119 1.00 38.86 N ATOM 1039 CA PRO B 102 -9.597 -8.079 0.930 1.00 40.78 C ATOM 1040 C PRO B 102 -8.561 -9.188 0.791 1.00 42.16 C ATOM 1041 O PRO B 102 -7.825 -9.474 1.736 1.00 42.73 O ATOM 1042 CB PRO B 102 -8.942 -6.722 1.171 1.00 39.22 C ATOM 1043 CG PRO B 102 -9.982 -5.991 1.972 1.00 38.94 C ATOM 1044 CD PRO B 102 -10.446 -7.041 2.947 1.00 37.95 C ATOM 1045 N GLY B 103 -8.510 -9.807 -0.385 1.00 44.32 N ATOM 1046 CA GLY B 103 -7.544 -10.866 -0.633 1.00 46.74 C ATOM 1047 C GLY B 103 -7.811 -12.181 0.079 1.00 49.51 C ATOM 1048 O GLY B 103 -6.925 -13.024 0.193 1.00 49.69 O ATOM 1049 N ARG B 104 -9.032 -12.363 0.564 1.00 52.08 N ATOM 1050 CA ARG B 104 -9.392 -13.589 1.257 1.00 52.97 C ATOM 1051 C ARG B 104 -10.752 -14.050 0.777 1.00 52.61 C ATOM 1052 O ARG B 104 -11.575 -13.246 0.340 1.00 51.52 O ATOM 1053 CB ARG B 104 -9.455 -13.364 2.770 1.00 55.85 C ATOM 1054 CG ARG B 104 -8.147 -12.979 3.428 1.00 59.92 C ATOM 1055 CD ARG B 104 -7.140 -14.097 3.354 1.00 63.58 C ATOM 1056 NE ARG B 104 -5.938 -13.788 4.123 1.00 67.45 N ATOM 1057 CZ ARG B 104 -4.847 -14.550 4.145 1.00 69.74 C ATOM 1058 NH1 ARG B 104 -3.800 -14.191 4.877 1.00 70.97 N ATOM 1059 NH2 ARG B 104 -4.796 -15.669 3.430 1.00 70.00 N ATOM 1060 N ASN B 105 -10.982 -15.355 0.855 1.00 52.64 N ATOM 1061 CA ASN B 105 -12.257 -15.921 0.458 1.00 50.25 C ATOM 1062 C ASN B 105 -13.269 -15.541 1.515 1.00 49.20 C ATOM 1063 O ASN B 105 -12.928 -15.400 2.692 1.00 48.75 O ATOM 1064 CB ASN B 105 -12.162 -17.439 0.386 1.00 52.90 C ATOM 1065 CG ASN B 105 -11.614 -17.930 -0.934 1.00 55.74 C ATOM 1066 OD1 ASN B 105 -11.060 -19.026 -1.012 1.00 57.44 O ATOM 1067 ND2 ASN B 105 -11.784 -17.132 -1.986 1.00 56.15 N ATOM 1068 N VAL B 106 -14.513 -15.376 1.092 1.00 47.67 N ATOM 1069 CA VAL B 106 -15.584 -15.033 2.012 1.00 48.00 C ATOM 1070 C VAL B 106 -15.789 -16.136 3.052 1.00 48.69 C ATOM 1071 O VAL B 106 -15.837 -17.322 2.717 1.00 49.29 O ATOM 1072 CB VAL B 106 -16.917 -14.824 1.255 1.00 47.00 C ATOM 1073 CG1 VAL B 106 -18.069 -14.793 2.232 1.00 48.34 C ATOM 1074 CG2 VAL B 106 -16.871 -13.518 0.463 1.00 48.30 C ATOM 1075 N LYS B 107 -15.895 -15.738 4.315 1.00 47.59 N ATOM 1076 CA LYS B 107 -16.146 -16.682 5.392 1.00 46.43 C ATOM 1077 C LYS B 107 -17.183 -16.057 6.313 1.00 44.95 C ATOM 1078 O LYS B 107 -17.203 -14.838 6.496 1.00 44.42 O ATOM 1079 CB LYS B 107 -14.872 -16.981 6.191 1.00 47.68 C ATOM 1080 CG LYS B 107 -14.434 -15.876 7.141 1.00 49.35 C ATOM 1081 CD LYS B 107 -13.218 -16.300 7.955 1.00 50.98 C ATOM 1082 CE LYS B 107 -12.747 -15.189 8.880 1.00 50.73 C ATOM 1083 NZ LYS B 107 -11.560 -15.605 9.686 1.00 51.42 N ATOM 1084 N ASN B 108 -18.054 -16.890 6.869 1.00 42.70 N ATOM 1085 CA ASN B 108 -19.075 -16.419 7.789 1.00 42.83 C ATOM 1086 C ASN B 108 -18.591 -16.582 9.226 1.00 43.58 C ATOM 1087 O ASN B 108 -17.862 -17.526 9.545 1.00 43.14 O ATOM 1088 CB ASN B 108 -20.364 -17.210 7.604 1.00 41.30 C ATOM 1089 CG ASN B 108 -21.118 -16.811 6.364 1.00 39.16 C ATOM 1090 OD1 ASN B 108 -20.532 -16.629 5.301 1.00 38.28 O ATOM 1091 ND2 ASN B 108 -22.434 -16.688 6.489 1.00 38.71 N ATOM 1092 N VAL B 109 -18.989 -15.650 10.084 1.00 43.23 N ATOM 1093 CA VAL B 109 -18.629 -15.697 11.499 1.00 43.49 C ATOM 1094 C VAL B 109 -19.916 -15.469 12.269 1.00 43.32 C ATOM 1095 O VAL B 109 -20.751 -14.671 11.849 1.00 43.00 O ATOM 1096 CB VAL B 109 -17.611 -14.602 11.871 1.00 43.68 C ATOM 1097 CG1 VAL B 109 -17.464 -14.524 13.370 1.00 45.90 C ATOM 1098 CG2 VAL B 109 -16.259 -14.916 11.249 1.00 44.42 C ATOM 1099 N GLN B 110 -20.091 -16.183 13.377 1.00 44.16 N ATOM 1100 CA GLN B 110 -21.302 -16.042 14.173 1.00 44.36 C ATOM 1101 C GLN B 110 -20.999 -15.256 15.428 1.00 43.33 C ATOM 1102 O GLN B 110 -19.889 -15.328 15.956 1.00 43.89 O ATOM 1103 CB GLN B 110 -21.868 -17.417 14.544 1.00 47.38 C ATOM 1104 CG GLN B 110 -23.279 -17.366 15.148 1.00 50.64 C ATOM 1105 CD GLN B 110 -23.957 -18.732 15.205 1.00 52.92 C ATOM 1106 OE1 GLN B 110 -24.036 -19.441 14.197 1.00 53.59 O ATOM 1107 NE2 GLN B 110 -24.458 -19.100 16.383 1.00 51.68 N ATOM 1108 N THR B 111 -21.984 -14.502 15.901 1.00 42.88 N ATOM 1109 CA THR B 111 -21.801 -13.696 17.103 1.00 42.79 C ATOM 1110 C THR B 111 -23.137 -13.272 17.718 1.00 43.32 C ATOM 1111 O THR B 111 -24.179 -13.271 17.056 1.00 43.04 O ATOM 1112 CB THR B 111 -20.968 -12.423 16.795 1.00 42.10 C ATOM 1113 OG1 THR B 111 -20.454 -11.874 18.013 1.00 43.03 O ATOM 1114 CG2 THR B 111 -21.831 -11.371 16.112 1.00 39.32 C ATOM 1115 N LYS B 112 -23.090 -12.921 18.997 1.00 43.02 N ATOM 1116 CA LYS B 112 -24.266 -12.473 19.720 1.00 44.53 C ATOM 1117 C LYS B 112 -24.106 -10.958 19.756 1.00 44.34 C ATOM 1118 O LYS B 112 -23.240 -10.436 20.458 1.00 44.63 O ATOM 1119 CB LYS B 112 -24.253 -13.048 21.143 1.00 47.42 C ATOM 1120 CG LYS B 112 -25.589 -13.025 21.878 1.00 51.04 C ATOM 1121 CD LYS B 112 -26.040 -11.614 22.216 1.00 55.53 C ATOM 1122 CE LYS B 112 -27.310 -11.640 23.061 1.00 59.04 C ATOM 1123 NZ LYS B 112 -28.419 -12.369 22.377 1.00 60.51 N ATOM 1124 N PRO B 113 -24.935 -10.231 18.996 1.00 43.19 N ATOM 1125 CA PRO B 113 -24.828 -8.774 18.980 1.00 43.28 C ATOM 1126 C PRO B 113 -24.909 -8.127 20.352 1.00 43.25 C ATOM 1127 O PRO B 113 -25.520 -8.654 21.275 1.00 45.15 O ATOM 1128 CB PRO B 113 -25.998 -8.345 18.093 1.00 42.33 C ATOM 1129 CG PRO B 113 -26.194 -9.506 17.188 1.00 43.60 C ATOM 1130 CD PRO B 113 -26.043 -10.677 18.135 1.00 45.07 C ATOM 1131 N GLY B 114 -24.265 -6.976 20.467 1.00 43.92 N ATOM 1132 CA GLY B 114 -24.306 -6.200 21.684 1.00 41.49 C ATOM 1133 C GLY B 114 -25.244 -5.077 21.294 1.00 41.78 C ATOM 1134 O GLY B 114 -26.028 -5.227 20.350 1.00 37.75 O ATOM 1135 N VAL B 115 -25.174 -3.940 21.971 1.00 42.25 N ATOM 1136 CA VAL B 115 -26.087 -2.867 21.614 1.00 43.58 C ATOM 1137 C VAL B 115 -25.535 -1.457 21.748 1.00 43.45 C ATOM 1138 O VAL B 115 -24.792 -1.141 22.681 1.00 44.20 O ATOM 1139 CB VAL B 115 -27.377 -2.945 22.455 1.00 45.06 C ATOM 1140 CG1 VAL B 115 -28.397 -1.955 21.933 1.00 46.27 C ATOM 1141 CG2 VAL B 115 -27.940 -4.359 22.426 1.00 46.33 C ATOM 1142 N PHE B 116 -25.900 -0.618 20.789 1.00 42.12 N ATOM 1143 CA PHE B 116 -25.512 0.779 20.798 1.00 41.79 C ATOM 1144 C PHE B 116 -26.725 1.491 21.378 1.00 43.16 C ATOM 1145 O PHE B 116 -27.801 1.476 20.781 1.00 42.11 O ATOM 1146 CB PHE B 116 -25.259 1.285 19.377 1.00 39.67 C ATOM 1147 CG PHE B 116 -23.842 1.128 18.906 1.00 36.95 C ATOM 1148 CD1 PHE B 116 -23.533 1.278 17.555 1.00 36.25 C ATOM 1149 CD2 PHE B 116 -22.810 0.855 19.804 1.00 37.86 C ATOM 1150 CE1 PHE B 116 -22.215 1.158 17.102 1.00 35.74 C ATOM 1151 CE2 PHE B 116 -21.489 0.733 19.365 1.00 35.90 C ATOM 1152 CZ PHE B 116 -21.192 0.884 18.009 1.00 34.81 C ATOM 1153 N LYS B 117 -26.560 2.083 22.554 1.00 45.34 N ATOM 1154 CA LYS B 117 -27.648 2.807 23.201 1.00 47.23 C ATOM 1155 C LYS B 117 -27.538 4.264 22.795 1.00 46.71 C ATOM 1156 O LYS B 117 -26.622 4.963 23.223 1.00 46.31 O ATOM 1157 CB LYS B 117 -27.545 2.682 24.726 1.00 49.61 C ATOM 1158 CG LYS B 117 -27.945 1.323 25.283 1.00 54.76 C ATOM 1159 CD LYS B 117 -27.700 1.251 26.795 1.00 61.09 C ATOM 1160 CE LYS B 117 -28.450 0.082 27.457 1.00 64.52 C ATOM 1161 NZ LYS B 117 -28.124 -1.260 26.873 1.00 66.00 N ATOM 1162 N THR B 118 -28.465 4.718 21.960 1.00 48.10 N ATOM 1163 CA THR B 118 -28.450 6.101 21.495 1.00 50.04 C ATOM 1164 C THR B 118 -29.678 6.862 21.979 1.00 51.62 C ATOM 1165 O THR B 118 -30.708 6.267 22.290 1.00 50.92 O ATOM 1166 CB THR B 118 -28.434 6.176 19.961 1.00 50.81 C ATOM 1167 OG1 THR B 118 -29.779 6.118 19.466 1.00 48.69 O ATOM 1168 CG2 THR B 118 -27.632 5.006 19.383 1.00 51.03 C ATOM 1169 N PRO B 119 -29.583 8.197 22.046 1.00 53.62 N ATOM 1170 CA PRO B 119 -30.708 9.015 22.494 1.00 54.84 C ATOM 1171 C PRO B 119 -31.958 8.646 21.709 1.00 57.50 C ATOM 1172 O PRO B 119 -33.051 8.578 22.264 1.00 59.73 O ATOM 1173 CB PRO B 119 -30.239 10.433 22.192 1.00 55.34 C ATOM 1174 CG PRO B 119 -28.748 10.336 22.387 1.00 54.45 C ATOM 1175 CD PRO B 119 -28.430 9.040 21.682 1.00 54.68 C ATOM 1176 N GLU B 120 -31.786 8.399 20.415 1.00 59.08 N ATOM 1177 CA GLU B 120 -32.899 8.035 19.544 1.00 61.37 C ATOM 1178 C GLU B 120 -33.468 6.674 19.949 1.00 61.70 C ATOM 1179 O GLU B 120 -34.685 6.480 19.971 1.00 63.09 O ATOM 1180 CB GLU B 120 -32.426 7.980 18.084 1.00 63.94 C ATOM 1181 CG GLU B 120 -33.543 7.932 17.037 1.00 67.43 C ATOM 1182 CD GLU B 120 -33.924 9.314 16.511 1.00 68.99 C ATOM 1183 OE1 GLU B 120 -33.047 9.988 15.924 1.00 69.99 O ATOM 1184 OE2 GLU B 120 -35.094 9.726 16.682 1.00 67.84 O ATOM 1185 N GLY B 121 -32.581 5.734 20.267 1.00 61.01 N ATOM 1186 CA GLY B 121 -33.014 4.401 20.659 1.00 59.09 C ATOM 1187 C GLY B 121 -31.861 3.414 20.687 1.00 58.04 C ATOM 1188 O GLY B 121 -30.708 3.813 20.852 1.00 58.40 O ATOM 1189 N GLU B 122 -32.160 2.128 20.530 1.00 55.72 N ATOM 1190 CA GLU B 122 -31.121 1.102 20.541 1.00 53.27 C ATOM 1191 C GLU B 122 -30.846 0.560 19.143 1.00 51.10 C ATOM 1192 O GLU B 122 -31.759 0.425 18.326 1.00 49.88 O ATOM 1193 CB GLU B 122 -31.519 -0.057 21.453 1.00 55.08 C ATOM 1194 CG GLU B 122 -31.564 0.285 22.927 1.00 59.48 C ATOM 1195 CD GLU B 122 -32.013 -0.894 23.777 1.00 62.62 C ATOM 1196 OE1 GLU B 122 -33.137 -1.391 23.544 1.00 65.09 O ATOM 1197 OE2 GLU B 122 -31.248 -1.323 24.671 1.00 62.87 O ATOM 1198 N ILE B 123 -29.578 0.250 18.885 1.00 47.88 N ATOM 1199 CA ILE B 123 -29.136 -0.289 17.600 1.00 44.16 C ATOM 1200 C ILE B 123 -28.251 -1.512 17.847 1.00 41.64 C ATOM 1201 O ILE B 123 -27.331 -1.461 18.662 1.00 40.56 O ATOM 1202 CB ILE B 123 -28.299 0.748 16.816 1.00 44.37 C ATOM 1203 CG1 ILE B 123 -29.137 1.989 16.519 1.00 45.05 C ATOM 1204 CG2 ILE B 123 -27.790 0.140 15.515 1.00 46.62 C ATOM 1205 CD1 ILE B 123 -28.339 3.117 15.891 1.00 44.67 C ATOM 1206 N GLY B 124 -28.531 -2.606 17.146 1.00 39.11 N ATOM 1207 CA GLY B 124 -27.722 -3.799 17.300 1.00 34.87 C ATOM 1208 C GLY B 124 -26.292 -3.466 16.919 1.00 36.03 C ATOM 1209 O GLY B 124 -26.056 -2.602 16.066 1.00 34.42 O ATOM 1210 N ALA B 125 -25.332 -4.142 17.544 1.00 33.93 N ATOM 1211 CA ALA B 125 -23.925 -3.884 17.264 1.00 35.21 C ATOM 1212 C ALA B 125 -23.086 -5.129 17.507 1.00 35.52 C ATOM 1213 O ALA B 125 -23.357 -5.900 18.428 1.00 35.60 O ATOM 1214 CB ALA B 125 -23.417 -2.733 18.143 1.00 34.91 C ATOM 1215 N VAL B 126 -22.059 -5.321 16.687 1.00 33.62 N ATOM 1216 CA VAL B 126 -21.200 -6.486 16.834 1.00 33.60 C ATOM 1217 C VAL B 126 -19.764 -6.093 17.152 1.00 36.02 C ATOM 1218 O VAL B 126 -19.223 -5.137 16.580 1.00 36.01 O ATOM 1219 CB VAL B 126 -21.208 -7.352 15.554 1.00 30.60 C ATOM 1220 CG1 VAL B 126 -22.624 -7.850 15.267 1.00 28.22 C ATOM 1221 CG2 VAL B 126 -20.672 -6.547 14.381 1.00 28.95 C ATOM 1222 N THR B 127 -19.152 -6.831 18.071 1.00 37.45 N ATOM 1223 CA THR B 127 -17.776 -6.566 18.453 1.00 41.28 C ATOM 1224 C THR B 127 -16.846 -7.475 17.659 1.00 42.49 C ATOM 1225 O THR B 127 -16.289 -8.447 18.183 1.00 44.18 O ATOM 1226 CB THR B 127 -17.562 -6.788 19.963 1.00 42.59 C ATOM 1227 OG1 THR B 127 -18.421 -5.902 20.693 1.00 45.85 O ATOM 1228 CG2 THR B 127 -16.118 -6.495 20.349 1.00 40.55 C ATOM 1229 N LEU B 128 -16.702 -7.153 16.378 1.00 41.65 N ATOM 1230 CA LEU B 128 -15.845 -7.906 15.472 1.00 40.38 C ATOM 1231 C LEU B 128 -14.884 -6.916 14.846 1.00 39.28 C ATOM 1232 O LEU B 128 -15.302 -5.872 14.351 1.00 39.41 O ATOM 1233 CB LEU B 128 -16.686 -8.582 14.389 1.00 40.28 C ATOM 1234 CG LEU B 128 -17.716 -9.596 14.903 1.00 39.79 C ATOM 1235 CD1 LEU B 128 -18.617 -10.051 13.762 1.00 36.38 C ATOM 1236 CD2 LEU B 128 -16.993 -10.776 15.539 1.00 38.63 C ATOM 1237 N ASP B 129 -13.596 -7.234 14.887 1.00 38.98 N ATOM 1238 CA ASP B 129 -12.575 -6.353 14.331 1.00 39.71 C ATOM 1239 C ASP B 129 -11.913 -7.011 13.130 1.00 38.70 C ATOM 1240 O ASP B 129 -11.032 -7.858 13.278 1.00 39.47 O ATOM 1241 CB ASP B 129 -11.514 -6.019 15.391 1.00 39.38 C ATOM 1242 CG ASP B 129 -10.568 -4.914 14.942 1.00 43.60 C ATOM 1243 OD1 ASP B 129 -10.735 -4.414 13.807 1.00 43.40 O ATOM 1244 OD2 ASP B 129 -9.659 -4.538 15.721 1.00 45.12 O ATOM 1245 N PHE B 130 -12.346 -6.618 11.939 1.00 36.65 N ATOM 1246 CA PHE B 130 -11.796 -7.178 10.723 1.00 35.32 C ATOM 1247 C PHE B 130 -11.015 -6.138 9.961 1.00 34.29 C ATOM 1248 O PHE B 130 -11.179 -4.949 10.178 1.00 34.27 O ATOM 1249 CB PHE B 130 -12.915 -7.758 9.859 1.00 35.57 C ATOM 1250 CG PHE B 130 -13.434 -9.063 10.366 1.00 37.50 C ATOM 1251 CD1 PHE B 130 -12.626 -10.191 10.353 1.00 37.66 C ATOM 1252 CD2 PHE B 130 -14.715 -9.161 10.897 1.00 39.92 C ATOM 1253 CE1 PHE B 130 -13.083 -11.401 10.864 1.00 40.66 C ATOM 1254 CE2 PHE B 130 -15.182 -10.366 11.411 1.00 41.02 C ATOM 1255 CZ PHE B 130 -14.362 -11.490 11.394 1.00 39.96 C ATOM 1256 N PRO B 131 -10.140 -6.579 9.054 1.00 35.11 N ATOM 1257 CA PRO B 131 -9.351 -5.622 8.287 1.00 34.26 C ATOM 1258 C PRO B 131 -10.171 -4.565 7.563 1.00 33.11 C ATOM 1259 O PRO B 131 -11.352 -4.741 7.245 1.00 32.45 O ATOM 1260 CB PRO B 131 -8.579 -6.511 7.320 1.00 35.03 C ATOM 1261 CG PRO B 131 -8.384 -7.757 8.121 1.00 37.08 C ATOM 1262 CD PRO B 131 -9.765 -7.958 8.703 1.00 34.97 C ATOM 1263 N THR B 132 -9.497 -3.460 7.318 1.00 32.24 N ATOM 1264 CA THR B 132 -10.032 -2.318 6.621 1.00 30.20 C ATOM 1265 C THR B 132 -10.369 -2.836 5.213 1.00 30.34 C ATOM 1266 O THR B 132 -9.610 -3.603 4.626 1.00 28.39 O ATOM 1267 CB THR B 132 -8.940 -1.238 6.625 1.00 31.50 C ATOM 1268 OG1 THR B 132 -9.531 0.063 6.572 1.00 36.98 O ATOM 1269 CG2 THR B 132 -7.989 -1.451 5.483 1.00 27.91 C ATOM 1270 N GLY B 133 -11.532 -2.463 4.692 1.00 30.25 N ATOM 1271 CA GLY B 133 -11.931 -2.944 3.383 1.00 28.03 C ATOM 1272 C GLY B 133 -13.106 -3.902 3.478 1.00 29.38 C ATOM 1273 O GLY B 133 -13.604 -4.391 2.465 1.00 28.29 O ATOM 1274 N THR B 134 -13.561 -4.170 4.700 1.00 29.07 N ATOM 1275 CA THR B 134 -14.691 -5.068 4.896 1.00 27.40 C ATOM 1276 C THR B 134 -16.018 -4.324 5.055 1.00 27.83 C ATOM 1277 O THR B 134 -17.075 -4.959 5.170 1.00 26.40 O ATOM 1278 CB THR B 134 -14.482 -5.985 6.123 1.00 30.01 C ATOM 1279 OG1 THR B 134 -14.105 -5.194 7.258 1.00 31.37 O ATOM 1280 CG2 THR B 134 -13.395 -7.022 5.837 1.00 27.33 C ATOM 1281 N SER B 135 -15.970 -2.989 5.068 1.00 25.06 N ATOM 1282 CA SER B 135 -17.189 -2.192 5.180 1.00 24.95 C ATOM 1283 C SER B 135 -18.139 -2.606 4.069 1.00 26.75 C ATOM 1284 O SER B 135 -17.740 -2.717 2.899 1.00 24.44 O ATOM 1285 CB SER B 135 -16.887 -0.695 5.043 1.00 27.33 C ATOM 1286 OG SER B 135 -16.487 -0.106 6.273 1.00 27.65 O ATOM 1287 N GLY B 136 -19.397 -2.834 4.431 1.00 28.82 N ATOM 1288 CA GLY B 136 -20.380 -3.246 3.443 1.00 27.87 C ATOM 1289 C GLY B 136 -20.721 -4.724 3.546 1.00 29.21 C ATOM 1290 O GLY B 136 -21.721 -5.169 2.980 1.00 29.50 O ATOM 1291 N SER B 137 -19.891 -5.494 4.252 1.00 27.64 N ATOM 1292 CA SER B 137 -20.149 -6.921 4.416 1.00 27.92 C ATOM 1293 C SER B 137 -21.508 -7.073 5.094 1.00 28.40 C ATOM 1294 O SER B 137 -21.785 -6.413 6.095 1.00 26.82 O ATOM 1295 CB SER B 137 -19.072 -7.575 5.280 1.00 28.44 C ATOM 1296 OG SER B 137 -17.817 -7.570 4.628 1.00 28.98 O ATOM 1297 N PRO B 138 -22.373 -7.942 4.553 1.00 28.38 N ATOM 1298 CA PRO B 138 -23.695 -8.134 5.148 1.00 29.56 C ATOM 1299 C PRO B 138 -23.687 -8.983 6.405 1.00 31.75 C ATOM 1300 O PRO B 138 -22.768 -9.761 6.648 1.00 33.42 O ATOM 1301 CB PRO B 138 -24.479 -8.807 4.030 1.00 25.97 C ATOM 1302 CG PRO B 138 -23.449 -9.688 3.418 1.00 26.99 C ATOM 1303 CD PRO B 138 -22.216 -8.782 3.351 1.00 28.12 C ATOM 1304 N ILE B 139 -24.735 -8.808 7.196 1.00 34.20 N ATOM 1305 CA ILE B 139 -24.943 -9.560 8.418 1.00 36.67 C ATOM 1306 C ILE B 139 -26.290 -10.224 8.176 1.00 37.71 C ATOM 1307 O ILE B 139 -27.241 -9.566 7.752 1.00 38.02 O ATOM 1308 CB ILE B 139 -25.021 -8.628 9.651 1.00 36.17 C ATOM 1309 CG1 ILE B 139 -23.659 -7.968 9.874 1.00 37.60 C ATOM 1310 CG2 ILE B 139 -25.424 -9.421 10.887 1.00 33.74 C ATOM 1311 CD1 ILE B 139 -23.653 -6.952 10.986 1.00 39.20 C ATOM 1312 N VAL B 140 -26.371 -11.525 8.417 1.00 39.70 N ATOM 1313 CA VAL B 140 -27.619 -12.239 8.187 1.00 41.52 C ATOM 1314 C VAL B 140 -28.113 -12.950 9.431 1.00 43.19 C ATOM 1315 O VAL B 140 -27.325 -13.301 10.311 1.00 43.80 O ATOM 1316 CB VAL B 140 -27.456 -13.288 7.063 1.00 39.88 C ATOM 1317 CG1 VAL B 140 -26.887 -12.628 5.826 1.00 39.98 C ATOM 1318 CG2 VAL B 140 -26.558 -14.414 7.526 1.00 38.23 C ATOM 1319 N ASP B 141 -29.424 -13.153 9.498 1.00 46.65 N ATOM 1320 CA ASP B 141 -30.025 -13.856 10.622 1.00 50.10 C ATOM 1321 C ASP B 141 -30.147 -15.329 10.241 1.00 51.77 C ATOM 1322 O ASP B 141 -29.593 -15.760 9.228 1.00 50.62 O ATOM 1323 CB ASP B 141 -31.406 -13.287 10.962 1.00 50.51 C ATOM 1324 CG ASP B 141 -32.358 -13.310 9.783 1.00 51.91 C ATOM 1325 OD1 ASP B 141 -32.183 -14.158 8.881 1.00 51.24 O ATOM 1326 OD2 ASP B 141 -33.297 -12.484 9.772 1.00 53.15 O ATOM 1327 N LYS B 142 -30.882 -16.091 11.045 1.00 54.60 N ATOM 1328 CA LYS B 142 -31.045 -17.524 10.805 1.00 56.90 C ATOM 1329 C LYS B 142 -31.508 -17.915 9.402 1.00 56.29 C ATOM 1330 O LYS B 142 -30.963 -18.846 8.813 1.00 56.67 O ATOM 1331 CB LYS B 142 -32.000 -18.133 11.839 1.00 57.95 C ATOM 1332 CG LYS B 142 -33.403 -17.538 11.854 1.00 61.18 C ATOM 1333 CD LYS B 142 -33.471 -16.244 12.652 1.00 63.06 C ATOM 1334 CE LYS B 142 -34.912 -15.770 12.793 1.00 64.42 C ATOM 1335 NZ LYS B 142 -35.789 -16.825 13.399 1.00 64.26 N ATOM 1336 N ASN B 143 -32.500 -17.208 8.870 1.00 55.76 N ATOM 1337 CA ASN B 143 -33.042 -17.506 7.545 1.00 55.53 C ATOM 1338 C ASN B 143 -32.201 -16.980 6.384 1.00 56.01 C ATOM 1339 O ASN B 143 -32.645 -16.988 5.229 1.00 57.00 O ATOM 1340 CB ASN B 143 -34.457 -16.942 7.437 1.00 57.06 C ATOM 1341 CG ASN B 143 -35.297 -17.264 8.651 1.00 58.62 C ATOM 1342 OD1 ASN B 143 -35.363 -18.416 9.082 1.00 58.89 O ATOM 1343 ND2 ASN B 143 -35.943 -16.247 9.215 1.00 59.42 N ATOM 1344 N GLY B 144 -30.993 -16.517 6.687 1.00 55.37 N ATOM 1345 CA GLY B 144 -30.122 -16.004 5.646 1.00 53.85 C ATOM 1346 C GLY B 144 -30.559 -14.670 5.070 1.00 53.24 C ATOM 1347 O GLY B 144 -30.179 -14.325 3.947 1.00 53.88 O ATOM 1348 N ASP B 145 -31.364 -13.922 5.819 1.00 51.64 N ATOM 1349 CA ASP B 145 -31.818 -12.614 5.359 1.00 50.44 C ATOM 1350 C ASP B 145 -30.875 -11.540 5.875 1.00 48.68 C ATOM 1351 O ASP B 145 -30.410 -11.611 7.015 1.00 49.16 O ATOM 1352 CB ASP B 145 -33.236 -12.327 5.849 1.00 53.22 C ATOM 1353 CG ASP B 145 -34.275 -13.161 5.133 1.00 55.69 C ATOM 1354 OD1 ASP B 145 -34.237 -13.207 3.883 1.00 56.76 O ATOM 1355 OD2 ASP B 145 -35.130 -13.764 5.816 1.00 58.09 O ATOM 1356 N VAL B 146 -30.588 -10.548 5.038 1.00 45.31 N ATOM 1357 CA VAL B 146 -29.687 -9.477 5.442 1.00 42.00 C ATOM 1358 C VAL B 146 -30.392 -8.546 6.411 1.00 41.28 C ATOM 1359 O VAL B 146 -31.417 -7.942 6.079 1.00 41.30 O ATOM 1360 CB VAL B 146 -29.195 -8.639 4.242 1.00 39.87 C ATOM 1361 CG1 VAL B 146 -28.159 -7.648 4.714 1.00 36.15 C ATOM 1362 CG2 VAL B 146 -28.616 -9.536 3.165 1.00 38.54 C ATOM 1363 N ILE B 147 -29.837 -8.434 7.611 1.00 39.27 N ATOM 1364 CA ILE B 147 -30.410 -7.575 8.632 1.00 38.24 C ATOM 1365 C ILE B 147 -29.587 -6.297 8.791 1.00 38.22 C ATOM 1366 O ILE B 147 -29.931 -5.419 9.584 1.00 37.84 O ATOM 1367 CB ILE B 147 -30.476 -8.299 9.986 1.00 38.78 C ATOM 1368 CG1 ILE B 147 -29.069 -8.690 10.436 1.00 36.47 C ATOM 1369 CG2 ILE B 147 -31.348 -9.547 9.865 1.00 38.46 C ATOM 1370 CD1 ILE B 147 -29.017 -9.208 11.853 1.00 38.67 C ATOM 1371 N GLY B 148 -28.500 -6.194 8.034 1.00 36.57 N ATOM 1372 CA GLY B 148 -27.669 -5.008 8.127 1.00 36.72 C ATOM 1373 C GLY B 148 -26.290 -5.188 7.534 1.00 35.23 C ATOM 1374 O GLY B 148 -25.957 -6.272 7.055 1.00 35.25 O ATOM 1375 N LEU B 149 -25.491 -4.123 7.567 1.00 34.05 N ATOM 1376 CA LEU B 149 -24.133 -4.150 7.026 1.00 32.77 C ATOM 1377 C LEU B 149 -23.120 -3.718 8.086 1.00 31.39 C ATOM 1378 O LEU B 149 -23.455 -2.982 9.009 1.00 32.48 O ATOM 1379 CB LEU B 149 -24.032 -3.225 5.808 1.00 32.68 C ATOM 1380 CG LEU B 149 -25.029 -3.504 4.671 1.00 36.12 C ATOM 1381 CD1 LEU B 149 -24.995 -2.363 3.661 1.00 34.73 C ATOM 1382 CD2 LEU B 149 -24.697 -4.835 3.996 1.00 33.72 C ATOM 1383 N TYR B 150 -21.880 -4.173 7.921 1.00 28.73 N ATOM 1384 CA TYR B 150 -20.770 -3.890 8.829 1.00 27.55 C ATOM 1385 C TYR B 150 -19.871 -2.752 8.330 1.00 28.09 C ATOM 1386 O TYR B 150 -19.787 -2.512 7.126 1.00 28.49 O ATOM 1387 CB TYR B 150 -19.929 -5.161 8.953 1.00 26.56 C ATOM 1388 CG TYR B 150 -18.628 -5.030 9.717 1.00 26.87 C ATOM 1389 CD1 TYR B 150 -18.588 -5.236 11.096 1.00 27.32 C ATOM 1390 CD2 TYR B 150 -17.424 -4.783 9.053 1.00 26.38 C ATOM 1391 CE1 TYR B 150 -17.385 -5.214 11.796 1.00 26.25 C ATOM 1392 CE2 TYR B 150 -16.209 -4.758 9.750 1.00 27.15 C ATOM 1393 CZ TYR B 150 -16.204 -4.982 11.124 1.00 27.89 C ATOM 1394 OH TYR B 150 -15.020 -5.014 11.827 1.00 28.73 O ATOM 1395 N GLY B 151 -19.192 -2.055 9.243 1.00 28.49 N ATOM 1396 CA GLY B 151 -18.278 -1.016 8.798 1.00 29.48 C ATOM 1397 C GLY B 151 -18.326 0.347 9.448 1.00 29.08 C ATOM 1398 O GLY B 151 -17.321 1.055 9.470 1.00 29.32 O ATOM 1399 N ASN B 152 -19.486 0.735 9.954 1.00 28.12 N ATOM 1400 CA ASN B 152 -19.627 2.030 10.604 1.00 28.72 C ATOM 1401 C ASN B 152 -19.701 1.806 12.109 1.00 29.96 C ATOM 1402 O ASN B 152 -20.765 1.476 12.635 1.00 31.79 O ATOM 1403 CB ASN B 152 -20.898 2.716 10.112 1.00 27.71 C ATOM 1404 CG ASN B 152 -20.999 4.143 10.571 1.00 24.57 C ATOM 1405 OD1 ASN B 152 -19.986 4.805 10.783 1.00 25.76 O ATOM 1406 ND2 ASN B 152 -22.223 4.640 10.704 1.00 24.52 N ATOM 1407 N GLY B 153 -18.576 1.979 12.798 1.00 29.64 N ATOM 1408 CA GLY B 153 -18.560 1.755 14.233 1.00 29.66 C ATOM 1409 C GLY B 153 -17.649 2.678 15.018 1.00 30.80 C ATOM 1410 O GLY B 153 -17.400 3.815 14.612 1.00 31.80 O ATOM 1411 N VAL B 154 -17.156 2.198 16.157 1.00 30.78 N ATOM 1412 CA VAL B 154 -16.283 3.007 16.989 1.00 30.28 C ATOM 1413 C VAL B 154 -15.060 2.238 17.443 1.00 31.55 C ATOM 1414 O VAL B 154 -15.076 1.008 17.523 1.00 30.04 O ATOM 1415 CB VAL B 154 -17.014 3.514 18.254 1.00 30.97 C ATOM 1416 CG1 VAL B 154 -18.348 4.100 17.878 1.00 31.89 C ATOM 1417 CG2 VAL B 154 -17.200 2.377 19.249 1.00 32.66 C ATOM 1418 N ILE B 155 -13.996 2.980 17.729 1.00 32.25 N ATOM 1419 CA ILE B 155 -12.759 2.396 18.226 1.00 34.79 C ATOM 1420 C ILE B 155 -12.768 2.687 19.726 1.00 34.84 C ATOM 1421 O ILE B 155 -12.748 3.848 20.141 1.00 33.11 O ATOM 1422 CB ILE B 155 -11.520 3.047 17.567 1.00 33.70 C ATOM 1423 CG1 ILE B 155 -11.495 2.703 16.073 1.00 33.65 C ATOM 1424 CG2 ILE B 155 -10.247 2.539 18.232 1.00 33.95 C ATOM 1425 CD1 ILE B 155 -10.456 3.468 15.284 1.00 33.22 C ATOM 1426 N MET B 156 -12.831 1.630 20.533 1.00 36.90 N ATOM 1427 CA MET B 156 -12.874 1.782 21.989 1.00 37.67 C ATOM 1428 C MET B 156 -11.489 2.043 22.562 1.00 36.42 C ATOM 1429 O MET B 156 -10.481 1.676 21.965 1.00 34.98 O ATOM 1430 CB MET B 156 -13.468 0.527 22.639 1.00 40.38 C ATOM 1431 CG MET B 156 -14.838 0.137 22.113 1.00 43.64 C ATOM 1432 SD MET B 156 -16.109 1.358 22.485 1.00 49.15 S ATOM 1433 CE MET B 156 -16.573 0.831 24.125 1.00 47.89 C ATOM 1434 N PRO B 157 -11.428 2.672 23.746 1.00 37.78 N ATOM 1435 CA PRO B 157 -10.184 3.007 24.444 1.00 38.20 C ATOM 1436 C PRO B 157 -9.323 1.800 24.795 1.00 39.92 C ATOM 1437 O PRO B 157 -8.146 1.956 25.117 1.00 40.80 O ATOM 1438 CB PRO B 157 -10.677 3.724 25.693 1.00 37.84 C ATOM 1439 CG PRO B 157 -11.947 4.328 25.255 1.00 37.69 C ATOM 1440 CD PRO B 157 -12.580 3.203 24.489 1.00 38.03 C ATOM 1441 N ASN B 158 -9.907 0.605 24.744 1.00 41.28 N ATOM 1442 CA ASN B 158 -9.162 -0.607 25.065 1.00 44.27 C ATOM 1443 C ASN B 158 -8.673 -1.341 23.825 1.00 44.75 C ATOM 1444 O ASN B 158 -8.216 -2.481 23.916 1.00 44.40 O ATOM 1445 CB ASN B 158 -10.015 -1.554 25.908 1.00 46.22 C ATOM 1446 CG ASN B 158 -11.250 -2.028 25.178 1.00 47.54 C ATOM 1447 OD1 ASN B 158 -12.063 -1.223 24.733 1.00 50.98 O ATOM 1448 ND2 ASN B 158 -11.402 -3.342 25.058 1.00 47.03 N ATOM 1449 N GLY B 159 -8.770 -0.686 22.670 1.00 44.50 N ATOM 1450 CA GLY B 159 -8.325 -1.307 21.434 1.00 44.22 C ATOM 1451 C GLY B 159 -9.404 -2.117 20.735 1.00 43.58 C ATOM 1452 O GLY B 159 -9.163 -2.729 19.695 1.00 45.87 O ATOM 1453 N SER B 160 -10.599 -2.120 21.310 1.00 40.92 N ATOM 1454 CA SER B 160 -11.723 -2.853 20.746 1.00 38.01 C ATOM 1455 C SER B 160 -12.415 -2.084 19.636 1.00 34.69 C ATOM 1456 O SER B 160 -12.460 -0.855 19.641 1.00 33.59 O ATOM 1457 CB SER B 160 -12.762 -3.147 21.830 1.00 36.38 C ATOM 1458 OG SER B 160 -12.371 -4.235 22.641 1.00 46.73 O ATOM 1459 N TYR B 161 -12.971 -2.817 18.686 1.00 31.45 N ATOM 1460 CA TYR B 161 -13.716 -2.178 17.622 1.00 30.30 C ATOM 1461 C TYR B 161 -15.129 -2.724 17.674 1.00 27.70 C ATOM 1462 O TYR B 161 -15.322 -3.930 17.725 1.00 29.35 O ATOM 1463 CB TYR B 161 -13.129 -2.490 16.248 1.00 30.46 C ATOM 1464 CG TYR B 161 -13.891 -1.797 15.142 1.00 31.87 C ATOM 1465 CD1 TYR B 161 -13.678 -0.446 14.869 1.00 32.27 C ATOM 1466 CD2 TYR B 161 -14.861 -2.474 14.400 1.00 31.69 C ATOM 1467 CE1 TYR B 161 -14.407 0.217 13.884 1.00 32.28 C ATOM 1468 CE2 TYR B 161 -15.602 -1.816 13.407 1.00 31.68 C ATOM 1469 CZ TYR B 161 -15.362 -0.470 13.158 1.00 31.24 C ATOM 1470 OH TYR B 161 -16.057 0.190 12.175 1.00 31.94 O ATOM 1471 N ILE B 162 -16.119 -1.846 17.685 1.00 26.87 N ATOM 1472 CA ILE B 162 -17.497 -2.305 17.685 1.00 26.94 C ATOM 1473 C ILE B 162 -18.200 -1.640 16.507 1.00 28.92 C ATOM 1474 O ILE B 162 -18.145 -0.422 16.338 1.00 27.12 O ATOM 1475 CB ILE B 162 -18.245 -1.942 18.991 1.00 27.78 C ATOM 1476 CG1 ILE B 162 -17.424 -2.381 20.205 1.00 30.58 C ATOM 1477 CG2 ILE B 162 -19.590 -2.669 19.036 1.00 25.22 C ATOM 1478 CD1 ILE B 162 -18.107 -2.120 21.551 1.00 32.66 C ATOM 1479 N SER B 163 -18.851 -2.445 15.679 1.00 29.16 N ATOM 1480 CA SER B 163 -19.552 -1.905 14.531 1.00 28.26 C ATOM 1481 C SER B 163 -21.050 -1.991 14.698 1.00 28.89 C ATOM 1482 O SER B 163 -21.569 -2.964 15.232 1.00 30.78 O ATOM 1483 CB SER B 163 -19.165 -2.660 13.268 1.00 26.64 C ATOM 1484 OG SER B 163 -20.070 -2.350 12.229 1.00 24.09 O ATOM 1485 N ALA B 164 -21.751 -0.968 14.237 1.00 29.29 N ATOM 1486 CA ALA B 164 -23.196 -0.984 14.323 1.00 29.28 C ATOM 1487 C ALA B 164 -23.677 -1.921 13.234 1.00 29.57 C ATOM 1488 O ALA B 164 -22.952 -2.183 12.267 1.00 27.74 O ATOM 1489 CB ALA B 164 -23.757 0.407 14.069 1.00 30.39 C ATOM 1490 N ILE B 165 -24.882 -2.451 13.402 1.00 28.98 N ATOM 1491 CA ILE B 165 -25.464 -3.287 12.372 1.00 30.66 C ATOM 1492 C ILE B 165 -26.295 -2.260 11.621 1.00 32.76 C ATOM 1493 O ILE B 165 -27.418 -1.946 12.014 1.00 33.27 O ATOM 1494 CB ILE B 165 -26.380 -4.389 12.948 1.00 30.55 C ATOM 1495 CG1 ILE B 165 -25.537 -5.467 13.635 1.00 29.19 C ATOM 1496 CG2 ILE B 165 -27.182 -5.032 11.824 1.00 30.09 C ATOM 1497 CD1 ILE B 165 -26.368 -6.477 14.396 1.00 29.05 C ATOM 1498 N VAL B 166 -25.711 -1.705 10.562 1.00 34.42 N ATOM 1499 CA VAL B 166 -26.375 -0.685 9.766 1.00 33.96 C ATOM 1500 C VAL B 166 -27.459 -1.275 8.885 1.00 34.74 C ATOM 1501 O VAL B 166 -27.202 -2.146 8.052 1.00 33.56 O ATOM 1502 CB VAL B 166 -25.356 0.075 8.909 1.00 34.71 C ATOM 1503 CG1 VAL B 166 -26.039 1.168 8.116 1.00 34.17 C ATOM 1504 CG2 VAL B 166 -24.305 0.679 9.808 1.00 36.21 C ATOM 1505 N GLN B 167 -28.678 -0.784 9.083 1.00 35.85 N ATOM 1506 CA GLN B 167 -29.833 -1.249 8.336 1.00 37.56 C ATOM 1507 C GLN B 167 -30.850 -0.133 8.140 1.00 39.08 C ATOM 1508 O GLN B 167 -30.843 0.868 8.862 1.00 38.23 O ATOM 1509 CB GLN B 167 -30.487 -2.410 9.085 1.00 38.19 C ATOM 1510 CG GLN B 167 -31.738 -2.955 8.434 1.00 39.50 C ATOM 1511 CD GLN B 167 -31.476 -3.541 7.065 1.00 38.63 C ATOM 1512 OE1 GLN B 167 -31.172 -2.821 6.114 1.00 37.79 O ATOM 1513 NE2 GLN B 167 -31.589 -4.860 6.959 1.00 38.75 N ATOM 1514 N GLY B 168 -31.720 -0.313 7.152 1.00 41.75 N ATOM 1515 CA GLY B 168 -32.759 0.661 6.875 1.00 45.99 C ATOM 1516 C GLY B 168 -34.042 -0.054 6.489 1.00 49.43 C ATOM 1517 O GLY B 168 -34.022 -1.241 6.148 1.00 51.01 O ATOM 1518 N GLU B 169 -35.160 0.660 6.537 1.00 53.03 N ATOM 1519 CA GLU B 169 -36.458 0.083 6.187 1.00 56.40 C ATOM 1520 C GLU B 169 -36.578 -0.029 4.666 1.00 55.61 C ATOM 1521 O GLU B 169 -35.834 0.620 3.928 1.00 54.60 O ATOM 1522 CB GLU B 169 -37.589 0.971 6.729 1.00 59.75 C ATOM 1523 CG GLU B 169 -37.449 1.338 8.207 1.00 65.88 C ATOM 1524 CD GLU B 169 -38.340 0.511 9.125 1.00 70.00 C ATOM 1525 OE1 GLU B 169 -39.583 0.664 9.050 1.00 72.06 O ATOM 1526 OE2 GLU B 169 -37.798 -0.289 9.921 1.00 71.11 O ATOM 1527 N ARG B 170 -37.515 -0.851 4.201 1.00 56.12 N ATOM 1528 CA ARG B 170 -37.720 -1.018 2.767 1.00 57.32 C ATOM 1529 C ARG B 170 -38.423 0.208 2.185 1.00 58.08 C ATOM 1530 O ARG B 170 -39.544 0.530 2.568 1.00 57.76 O ATOM 1531 CB ARG B 170 -38.538 -2.277 2.487 1.00 57.28 C ATOM 1532 CG ARG B 170 -38.702 -2.557 1.011 1.00 57.04 C ATOM 1533 CD ARG B 170 -38.984 -4.015 0.742 1.00 56.78 C ATOM 1534 NE ARG B 170 -38.961 -4.286 -0.691 1.00 59.47 N ATOM 1535 CZ ARG B 170 -38.742 -5.482 -1.226 1.00 59.51 C ATOM 1536 NH1 ARG B 170 -38.740 -5.630 -2.541 1.00 60.36 N ATOM 1537 NH2 ARG B 170 -38.516 -6.527 -0.445 1.00 61.35 N ATOM 1538 N MET B 171 -37.748 0.882 1.258 1.00 59.93 N ATOM 1539 CA MET B 171 -38.265 2.094 0.619 1.00 62.76 C ATOM 1540 C MET B 171 -39.464 1.912 -0.309 1.00 63.28 C ATOM 1541 O MET B 171 -40.193 2.867 -0.574 1.00 63.51 O ATOM 1542 CB MET B 171 -37.148 2.777 -0.170 1.00 64.14 C ATOM 1543 CG MET B 171 -36.047 3.384 0.683 1.00 66.78 C ATOM 1544 SD MET B 171 -34.726 4.067 -0.347 1.00 68.12 S ATOM 1545 CE MET B 171 -35.630 5.380 -1.193 1.00 66.77 C ATOM 1546 N ASP B 172 -39.660 0.700 -0.813 1.00 63.84 N ATOM 1547 CA ASP B 172 -40.769 0.424 -1.725 1.00 64.46 C ATOM 1548 C ASP B 172 -42.130 0.369 -1.043 1.00 63.41 C ATOM 1549 O ASP B 172 -43.082 1.016 -1.475 1.00 62.13 O ATOM 1550 CB ASP B 172 -40.548 -0.912 -2.439 1.00 66.61 C ATOM 1551 CG ASP B 172 -39.864 -0.757 -3.776 1.00 67.77 C ATOM 1552 OD1 ASP B 172 -39.649 -1.788 -4.449 1.00 69.41 O ATOM 1553 OD2 ASP B 172 -39.550 0.390 -4.158 1.00 67.33 O ATOM 1554 N GLU B 173 -42.213 -0.420 0.020 1.00 62.62 N ATOM 1555 CA GLU B 173 -43.463 -0.607 0.725 1.00 62.16 C ATOM 1556 C GLU B 173 -43.751 0.455 1.787 1.00 61.56 C ATOM 1557 O GLU B 173 -42.848 1.127 2.267 1.00 60.17 O ATOM 1558 CB GLU B 173 -43.467 -1.990 1.358 1.00 63.13 C ATOM 1559 N PRO B 174 -45.031 0.628 2.157 1.00 62.03 N ATOM 1560 CA PRO B 174 -45.407 1.609 3.175 1.00 63.36 C ATOM 1561 C PRO B 174 -44.863 1.187 4.549 1.00 64.81 C ATOM 1562 O PRO B 174 -44.446 0.076 4.754 1.00 65.05 O ATOM 1563 CB PRO B 174 -46.933 1.610 3.099 1.00 62.50 C ATOM 1564 CG PRO B 174 -47.237 0.197 2.676 1.00 61.66 C ATOM 1565 CD PRO B 174 -46.231 -0.004 1.588 1.00 61.33 C ATOM 1566 N ILE B 175 -44.833 2.117 5.487 1.00 67.82 N ATOM 1567 CA ILE B 175 -44.315 1.906 6.868 1.00 71.27 C ATOM 1568 C ILE B 175 -45.162 1.139 7.915 1.00 73.87 C ATOM 1569 O ILE B 175 -44.724 0.080 8.425 1.00 73.84 O ATOM 1570 CB ILE B 175 -43.973 3.303 7.551 1.00 70.64 C ATOM 1571 CG1 ILE B 175 -43.254 4.208 6.562 1.00 69.13 C ATOM 1572 CG2 ILE B 175 -43.143 3.111 8.806 1.00 71.73 C ATOM 1573 CD1 ILE B 175 -41.805 3.963 6.330 1.00 66.76 C ATOM 1574 N PRO B 176 -46.344 1.742 8.285 1.00 77.08 N ATOM 1575 CA PRO B 176 -47.502 1.561 9.189 1.00 78.27 C ATOM 1576 C PRO B 176 -47.666 0.260 9.967 1.00 78.86 C ATOM 1577 O PRO B 176 -47.218 -0.713 9.374 1.00 79.52 O ATOM 1578 CB PRO B 176 -48.679 1.749 8.238 1.00 78.28 C ATOM 1579 CG PRO B 176 -48.085 1.436 6.848 1.00 77.11 C ATOM 1580 CD PRO B 176 -46.914 2.307 7.046 1.00 77.35 C TER 1581 PRO B 176 ATOM 1582 N ARG I 1 5.392 25.158 4.810 1.00 51.11 N ATOM 1583 CA ARG I 1 4.346 24.123 4.599 1.00 49.71 C ATOM 1584 C ARG I 1 3.304 24.226 5.697 1.00 48.65 C ATOM 1585 O ARG I 1 3.599 24.677 6.800 1.00 49.30 O ATOM 1586 CB ARG I 1 4.962 22.729 4.640 1.00 51.09 C ATOM 1587 CG ARG I 1 5.490 22.337 6.005 1.00 50.91 C ATOM 1588 CD ARG I 1 5.798 20.852 6.064 1.00 51.84 C ATOM 1589 NE ARG I 1 6.815 20.452 5.097 1.00 52.79 N ATOM 1590 CZ ARG I 1 8.101 20.781 5.179 1.00 54.26 C ATOM 1591 NH1 ARG I 1 8.539 21.523 6.189 1.00 54.21 N ATOM 1592 NH2 ARG I 1 8.954 20.358 4.253 1.00 55.56 N ATOM 1593 N PRO I 2 2.065 23.811 5.409 1.00 47.61 N ATOM 1594 CA PRO I 2 1.017 23.884 6.431 1.00 48.13 C ATOM 1595 C PRO I 2 1.382 22.995 7.626 1.00 48.04 C ATOM 1596 O PRO I 2 2.084 21.994 7.474 1.00 47.36 O ATOM 1597 CB PRO I 2 -0.225 23.388 5.690 1.00 47.29 C ATOM 1598 CG PRO I 2 0.066 23.728 4.254 1.00 47.18 C ATOM 1599 CD PRO I 2 1.518 23.361 4.118 1.00 47.11 C ATOM 1600 N ASP I 3 0.898 23.357 8.807 1.00 48.91 N ATOM 1601 CA ASP I 3 1.193 22.598 10.019 1.00 50.06 C ATOM 1602 C ASP I 3 0.634 21.175 10.039 1.00 49.07 C ATOM 1603 O ASP I 3 1.266 20.269 10.589 1.00 50.30 O ATOM 1604 CB ASP I 3 0.682 23.356 11.244 1.00 52.34 C ATOM 1605 CG ASP I 3 -0.726 23.881 11.055 1.00 56.59 C ATOM 1606 OD1 ASP I 3 -1.601 23.113 10.601 1.00 58.05 O ATOM 1607 OD2 ASP I 3 -0.961 25.069 11.365 1.00 62.03 O ATOM 1608 N PHE I 4 -0.542 20.978 9.445 1.00 47.01 N ATOM 1609 CA PHE I 4 -1.163 19.658 9.418 1.00 44.20 C ATOM 1610 C PHE I 4 -0.318 18.658 8.634 1.00 44.06 C ATOM 1611 O PHE I 4 -0.611 17.466 8.625 1.00 43.58 O ATOM 1612 CB PHE I 4 -2.591 19.736 8.845 1.00 42.00 C ATOM 1613 CG PHE I 4 -2.668 20.207 7.409 1.00 39.64 C ATOM 1614 CD1 PHE I 4 -2.238 19.393 6.364 1.00 38.74 C ATOM 1615 CD2 PHE I 4 -3.202 21.457 7.105 1.00 40.01 C ATOM 1616 CE1 PHE I 4 -2.340 19.818 5.031 1.00 39.12 C ATOM 1617 CE2 PHE I 4 -3.311 21.897 5.779 1.00 38.60 C ATOM 1618 CZ PHE I 4 -2.879 21.077 4.740 1.00 39.37 C ATOM 1619 N CYS I 5 0.732 19.147 7.979 1.00 42.58 N ATOM 1620 CA CYS I 5 1.624 18.275 7.227 1.00 43.93 C ATOM 1621 C CYS I 5 2.491 17.527 8.233 1.00 45.25 C ATOM 1622 O CYS I 5 3.222 16.596 7.882 1.00 45.14 O ATOM 1623 CB CYS I 5 2.536 19.088 6.311 1.00 44.49 C ATOM 1624 SG CYS I 5 1.774 19.906 4.871 1.00 45.74 S ATOM 1625 N LEU I 6 2.410 17.957 9.487 1.00 46.01 N ATOM 1626 CA LEU I 6 3.172 17.347 10.565 1.00 48.03 C ATOM 1627 C LEU I 6 2.345 16.292 11.303 1.00 47.87 C ATOM 1628 O LEU I 6 2.895 15.443 12.000 1.00 48.71 O ATOM 1629 CB LEU I 6 3.618 18.414 11.563 1.00 48.50 C ATOM 1630 CG LEU I 6 4.463 19.582 11.049 1.00 51.45 C ATOM 1631 CD1 LEU I 6 4.623 20.626 12.160 1.00 50.10 C ATOM 1632 CD2 LEU I 6 5.821 19.069 10.585 1.00 52.16 C ATOM 1633 N GLU I 7 1.026 16.343 11.156 1.00 46.90 N ATOM 1634 CA GLU I 7 0.185 15.377 11.842 1.00 46.89 C ATOM 1635 C GLU I 7 0.316 13.987 11.232 1.00 44.88 C ATOM 1636 O GLU I 7 0.424 13.834 10.014 1.00 43.53 O ATOM 1637 CB GLU I 7 -1.283 15.824 11.835 1.00 49.04 C ATOM 1638 CG GLU I 7 -1.906 15.960 10.457 1.00 56.00 C ATOM 1639 CD GLU I 7 -3.397 16.310 10.503 1.00 58.49 C ATOM 1640 OE1 GLU I 7 -3.781 17.234 11.257 1.00 58.02 O ATOM 1641 OE2 GLU I 7 -4.183 15.664 9.772 1.00 59.15 O ATOM 1642 N PRO I 8 0.324 12.950 12.084 1.00 43.58 N ATOM 1643 CA PRO I 8 0.441 11.554 11.649 1.00 41.62 C ATOM 1644 C PRO I 8 -0.803 11.132 10.868 1.00 39.03 C ATOM 1645 O PRO I 8 -1.879 11.698 11.051 1.00 37.35 O ATOM 1646 CB PRO I 8 0.583 10.795 12.967 1.00 42.85 C ATOM 1647 CG PRO I 8 -0.276 11.609 13.894 1.00 45.37 C ATOM 1648 CD PRO I 8 0.120 13.033 13.543 1.00 44.10 C ATOM 1649 N PRO I 9 -0.672 10.133 9.985 1.00 37.56 N ATOM 1650 CA PRO I 9 -1.830 9.684 9.206 1.00 36.66 C ATOM 1651 C PRO I 9 -2.927 9.139 10.122 1.00 35.49 C ATOM 1652 O PRO I 9 -2.638 8.591 11.184 1.00 36.02 O ATOM 1653 CB PRO I 9 -1.229 8.633 8.281 1.00 36.08 C ATOM 1654 CG PRO I 9 -0.118 8.057 9.110 1.00 37.93 C ATOM 1655 CD PRO I 9 0.504 9.285 9.727 1.00 37.90 C ATOM 1656 N TYR I 10 -4.181 9.307 9.717 1.00 33.27 N ATOM 1657 CA TYR I 10 -5.316 8.861 10.526 1.00 31.77 C ATOM 1658 C TYR I 10 -6.275 7.995 9.712 1.00 30.62 C ATOM 1659 O TYR I 10 -6.879 8.461 8.750 1.00 29.10 O ATOM 1660 CB TYR I 10 -6.056 10.089 11.073 1.00 31.57 C ATOM 1661 CG TYR I 10 -7.199 9.786 12.017 1.00 31.45 C ATOM 1662 CD1 TYR I 10 -6.970 9.204 13.267 1.00 32.51 C ATOM 1663 CD2 TYR I 10 -8.516 10.094 11.661 1.00 29.73 C ATOM 1664 CE1 TYR I 10 -8.037 8.933 14.143 1.00 31.92 C ATOM 1665 CE2 TYR I 10 -9.578 9.832 12.521 1.00 29.56 C ATOM 1666 CZ TYR I 10 -9.334 9.251 13.757 1.00 32.16 C ATOM 1667 OH TYR I 10 -10.400 8.971 14.583 1.00 35.42 O ATOM 1668 N THR I 11 -6.412 6.734 10.108 1.00 29.38 N ATOM 1669 CA THR I 11 -7.288 5.798 9.412 1.00 27.79 C ATOM 1670 C THR I 11 -8.767 6.044 9.707 1.00 26.39 C ATOM 1671 O THR I 11 -9.607 6.000 8.800 1.00 23.50 O ATOM 1672 CB THR I 11 -6.924 4.357 9.785 1.00 28.85 C ATOM 1673 OG1 THR I 11 -5.639 4.038 9.223 1.00 30.24 O ATOM 1674 CG2 THR I 11 -7.971 3.388 9.269 1.00 27.20 C ATOM 1675 N GLY I 12 -9.081 6.307 10.972 1.00 25.19 N ATOM 1676 CA GLY I 12 -10.457 6.561 11.341 1.00 25.17 C ATOM 1677 C GLY I 12 -11.185 5.313 11.798 1.00 26.37 C ATOM 1678 O GLY I 12 -10.635 4.216 11.756 1.00 24.77 O ATOM 1679 N PRO I 13 -12.447 5.457 12.223 1.00 27.28 N ATOM 1680 CA PRO I 13 -13.279 4.353 12.704 1.00 29.46 C ATOM 1681 C PRO I 13 -14.083 3.529 11.696 1.00 30.53 C ATOM 1682 O PRO I 13 -14.800 2.613 12.097 1.00 30.90 O ATOM 1683 CB PRO I 13 -14.187 5.041 13.714 1.00 29.34 C ATOM 1684 CG PRO I 13 -14.456 6.355 13.039 1.00 28.44 C ATOM 1685 CD PRO I 13 -13.080 6.759 12.518 1.00 27.43 C ATOM 1686 N CYS I 14 -13.992 3.827 10.405 1.00 30.30 N ATOM 1687 CA CYS I 14 -14.760 3.048 9.435 1.00 29.57 C ATOM 1688 C CYS I 14 -13.909 1.957 8.776 1.00 27.66 C ATOM 1689 O CYS I 14 -12.682 2.046 8.766 1.00 27.98 O ATOM 1690 CB CYS I 14 -15.420 3.998 8.410 1.00 32.08 C ATOM 1691 SG CYS I 14 -16.725 5.054 9.160 1.00 33.89 S ATOM 1692 N LYS I 15 -14.558 0.936 8.218 1.00 25.02 N ATOM 1693 CA LYS I 15 -13.836 -0.183 7.617 1.00 23.01 C ATOM 1694 C LYS I 15 -13.696 -0.285 6.102 1.00 23.67 C ATOM 1695 O LYS I 15 -13.685 -1.397 5.563 1.00 23.69 O ATOM 1696 CB LYS I 15 -14.413 -1.500 8.134 1.00 23.23 C ATOM 1697 CG LYS I 15 -14.181 -1.723 9.627 1.00 26.70 C ATOM 1698 CD LYS I 15 -12.696 -1.645 9.946 1.00 24.85 C ATOM 1699 CE LYS I 15 -12.470 -1.579 11.445 1.00 29.67 C ATOM 1700 NZ LYS I 15 -11.939 -2.846 11.992 1.00 29.03 N ATOM 1701 N ALA I 16 -13.631 0.845 5.404 1.00 21.65 N ATOM 1702 CA ALA I 16 -13.416 0.788 3.967 1.00 20.83 C ATOM 1703 C ALA I 16 -11.890 0.803 3.833 1.00 21.88 C ATOM 1704 O ALA I 16 -11.182 1.069 4.815 1.00 19.66 O ATOM 1705 CB ALA I 16 -14.012 2.003 3.286 1.00 19.65 C ATOM 1706 N ARG I 17 -11.377 0.496 2.644 1.00 23.34 N ATOM 1707 CA ARG I 17 -9.937 0.534 2.420 1.00 23.71 C ATOM 1708 C ARG I 17 -9.708 1.500 1.292 1.00 25.28 C ATOM 1709 O ARG I 17 -9.893 1.163 0.124 1.00 28.04 O ATOM 1710 CB ARG I 17 -9.371 -0.837 2.041 1.00 24.13 C ATOM 1711 CG ARG I 17 -7.870 -0.804 1.711 1.00 29.47 C ATOM 1712 CD ARG I 17 -7.229 -2.183 1.768 1.00 30.65 C ATOM 1713 NE ARG I 17 -7.288 -2.735 3.114 1.00 36.00 N ATOM 1714 CZ ARG I 17 -6.929 -3.975 3.447 1.00 39.85 C ATOM 1715 NH1 ARG I 17 -6.474 -4.814 2.520 1.00 42.54 N ATOM 1716 NH2 ARG I 17 -7.025 -4.380 4.711 1.00 36.10 N ATOM 1717 N ILE I 18 -9.324 2.717 1.646 1.00 27.37 N ATOM 1718 CA ILE I 18 -9.073 3.757 0.655 1.00 28.21 C ATOM 1719 C ILE I 18 -7.620 4.179 0.819 1.00 29.83 C ATOM 1720 O ILE I 18 -7.255 4.799 1.825 1.00 30.10 O ATOM 1721 CB ILE I 18 -10.001 4.977 0.896 1.00 29.54 C ATOM 1722 CG1 ILE I 18 -11.459 4.518 0.913 1.00 29.56 C ATOM 1723 CG2 ILE I 18 -9.815 6.015 -0.197 1.00 27.10 C ATOM 1724 CD1 ILE I 18 -12.392 5.524 1.527 1.00 35.00 C ATOM 1725 N ILE I 19 -6.787 3.823 -0.153 1.00 29.58 N ATOM 1726 CA ILE I 19 -5.379 4.177 -0.093 1.00 29.86 C ATOM 1727 C ILE I 19 -5.241 5.680 -0.315 1.00 30.42 C ATOM 1728 O ILE I 19 -5.654 6.204 -1.353 1.00 30.54 O ATOM 1729 CB ILE I 19 -4.544 3.442 -1.185 1.00 31.08 C ATOM 1730 CG1 ILE I 19 -4.748 1.924 -1.096 1.00 29.48 C ATOM 1731 CG2 ILE I 19 -3.056 3.778 -1.018 1.00 29.09 C ATOM 1732 CD1 ILE I 19 -4.492 1.339 0.257 1.00 30.70 C ATOM 1733 N ARG I 20 -4.682 6.372 0.668 1.00 28.35 N ATOM 1734 CA ARG I 20 -4.476 7.806 0.553 1.00 30.45 C ATOM 1735 C ARG I 20 -3.003 8.093 0.784 1.00 31.88 C ATOM 1736 O ARG I 20 -2.224 7.180 1.078 1.00 33.36 O ATOM 1737 CB ARG I 20 -5.329 8.564 1.578 1.00 30.25 C ATOM 1738 CG ARG I 20 -6.826 8.566 1.267 1.00 31.06 C ATOM 1739 CD ARG I 20 -7.090 9.222 -0.082 1.00 34.42 C ATOM 1740 NE ARG I 20 -8.506 9.259 -0.447 1.00 35.07 N ATOM 1741 CZ ARG I 20 -9.425 10.036 0.132 1.00 38.23 C ATOM 1742 NH1 ARG I 20 -9.094 10.858 1.118 1.00 38.15 N ATOM 1743 NH2 ARG I 20 -10.684 9.996 -0.283 1.00 38.02 N ATOM 1744 N TYR I 21 -2.612 9.354 0.647 1.00 32.38 N ATOM 1745 CA TYR I 21 -1.218 9.721 0.863 1.00 31.67 C ATOM 1746 C TYR I 21 -1.087 10.723 1.981 1.00 30.03 C ATOM 1747 O TYR I 21 -1.954 11.574 2.171 1.00 30.39 O ATOM 1748 CB TYR I 21 -0.600 10.320 -0.405 1.00 33.55 C ATOM 1749 CG TYR I 21 -0.455 9.333 -1.538 1.00 36.13 C ATOM 1750 CD1 TYR I 21 -1.574 8.862 -2.219 1.00 37.80 C ATOM 1751 CD2 TYR I 21 0.799 8.836 -1.900 1.00 38.55 C ATOM 1752 CE1 TYR I 21 -1.456 7.913 -3.227 1.00 39.41 C ATOM 1753 CE2 TYR I 21 0.928 7.881 -2.917 1.00 39.57 C ATOM 1754 CZ TYR I 21 -0.208 7.425 -3.569 1.00 39.48 C ATOM 1755 OH TYR I 21 -0.117 6.464 -4.548 1.00 43.59 O ATOM 1756 N PHE I 22 -0.008 10.617 2.739 1.00 28.90 N ATOM 1757 CA PHE I 22 0.218 11.573 3.805 1.00 30.69 C ATOM 1758 C PHE I 22 1.677 11.979 3.731 1.00 32.08 C ATOM 1759 O PHE I 22 2.510 11.251 3.197 1.00 32.98 O ATOM 1760 CB PHE I 22 -0.106 10.982 5.182 1.00 30.51 C ATOM 1761 CG PHE I 22 0.914 10.007 5.682 1.00 33.37 C ATOM 1762 CD1 PHE I 22 1.006 8.734 5.141 1.00 32.93 C ATOM 1763 CD2 PHE I 22 1.801 10.373 6.686 1.00 34.35 C ATOM 1764 CE1 PHE I 22 1.970 7.842 5.593 1.00 34.95 C ATOM 1765 CE2 PHE I 22 2.767 9.486 7.143 1.00 34.91 C ATOM 1766 CZ PHE I 22 2.853 8.223 6.596 1.00 34.08 C ATOM 1767 N TYR I 23 1.985 13.156 4.248 1.00 33.46 N ATOM 1768 CA TYR I 23 3.353 13.621 4.215 1.00 37.37 C ATOM 1769 C TYR I 23 4.082 13.143 5.467 1.00 38.70 C ATOM 1770 O TYR I 23 3.607 13.325 6.590 1.00 36.29 O ATOM 1771 CB TYR I 23 3.390 15.145 4.140 1.00 37.28 C ATOM 1772 CG TYR I 23 4.785 15.718 4.203 1.00 37.80 C ATOM 1773 CD1 TYR I 23 5.640 15.634 3.108 1.00 40.29 C ATOM 1774 CD2 TYR I 23 5.241 16.360 5.352 1.00 37.31 C ATOM 1775 CE1 TYR I 23 6.914 16.181 3.150 1.00 42.17 C ATOM 1776 CE2 TYR I 23 6.510 16.908 5.409 1.00 41.13 C ATOM 1777 CZ TYR I 23 7.342 16.819 4.301 1.00 43.27 C ATOM 1778 OH TYR I 23 8.590 17.398 4.332 1.00 48.05 O ATOM 1779 N ASN I 24 5.231 12.519 5.252 1.00 40.96 N ATOM 1780 CA ASN I 24 6.058 12.019 6.337 1.00 44.27 C ATOM 1781 C ASN I 24 7.355 12.827 6.342 1.00 44.90 C ATOM 1782 O ASN I 24 8.246 12.592 5.531 1.00 45.43 O ATOM 1783 CB ASN I 24 6.348 10.528 6.122 1.00 45.44 C ATOM 1784 CG ASN I 24 7.263 9.945 7.185 1.00 46.77 C ATOM 1785 OD1 ASN I 24 7.212 10.338 8.356 1.00 48.76 O ATOM 1786 ND2 ASN I 24 8.092 8.989 6.785 1.00 44.55 N ATOM 1787 N ALA I 25 7.440 13.796 7.244 1.00 48.15 N ATOM 1788 CA ALA I 25 8.628 14.641 7.360 1.00 52.88 C ATOM 1789 C ALA I 25 9.919 13.822 7.470 1.00 55.45 C ATOM 1790 O ALA I 25 10.853 14.026 6.694 1.00 56.01 O ATOM 1791 CB ALA I 25 8.493 15.564 8.565 1.00 52.30 C ATOM 1792 N LYS I 26 9.972 12.904 8.434 1.00 57.89 N ATOM 1793 CA LYS I 26 11.157 12.069 8.617 1.00 59.98 C ATOM 1794 C LYS I 26 11.702 11.584 7.281 1.00 60.61 C ATOM 1795 O LYS I 26 12.917 11.522 7.080 1.00 61.75 O ATOM 1796 CB LYS I 26 10.843 10.853 9.494 1.00 62.25 C ATOM 1797 CG LYS I 26 10.597 11.170 10.965 1.00 66.12 C ATOM 1798 CD LYS I 26 10.550 9.887 11.805 1.00 68.86 C ATOM 1799 CE LYS I 26 11.869 9.114 11.714 1.00 69.46 C ATOM 1800 NZ LYS I 26 11.889 7.893 12.570 1.00 70.75 N ATOM 1801 N ALA I 27 10.799 11.231 6.371 1.00 59.14 N ATOM 1802 CA ALA I 27 11.203 10.754 5.058 1.00 59.00 C ATOM 1803 C ALA I 27 11.309 11.931 4.099 1.00 59.20 C ATOM 1804 O ALA I 27 11.893 11.822 3.017 1.00 58.76 O ATOM 1805 CB ALA I 27 10.192 9.751 4.537 1.00 58.18 C ATOM 1806 N GLY I 28 10.737 13.058 4.506 1.00 59.01 N ATOM 1807 CA GLY I 28 10.759 14.244 3.672 1.00 58.81 C ATOM 1808 C GLY I 28 9.805 14.106 2.503 1.00 58.59 C ATOM 1809 O GLY I 28 9.557 15.072 1.785 1.00 59.14 O ATOM 1810 N LEU I 29 9.268 12.900 2.317 1.00 57.98 N ATOM 1811 CA LEU I 29 8.339 12.618 1.228 1.00 55.61 C ATOM 1812 C LEU I 29 6.972 12.114 1.709 1.00 53.48 C ATOM 1813 O LEU I 29 6.732 11.954 2.909 1.00 51.76 O ATOM 1814 CB LEU I 29 8.958 11.599 0.267 1.00 57.63 C ATOM 1815 CG LEU I 29 9.420 10.263 0.861 1.00 60.20 C ATOM 1816 CD1 LEU I 29 8.614 9.108 0.270 1.00 60.59 C ATOM 1817 CD2 LEU I 29 10.902 10.079 0.571 1.00 60.68 C ATOM 1818 N CYS I 30 6.079 11.871 0.755 1.00 50.81 N ATOM 1819 CA CYS I 30 4.736 11.401 1.061 1.00 48.92 C ATOM 1820 C CYS I 30 4.658 9.896 0.936 1.00 49.09 C ATOM 1821 O CYS I 30 5.297 9.302 0.061 1.00 51.89 O ATOM 1822 CB CYS I 30 3.729 12.043 0.111 1.00 45.82 C ATOM 1823 SG CYS I 30 3.602 13.857 0.281 1.00 46.83 S ATOM 1824 N GLN I 31 3.875 9.280 1.812 1.00 45.90 N ATOM 1825 CA GLN I 31 3.705 7.831 1.796 1.00 44.57 C ATOM 1826 C GLN I 31 2.225 7.483 1.823 1.00 40.01 C ATOM 1827 O GLN I 31 1.398 8.293 2.230 1.00 37.66 O ATOM 1828 CB GLN I 31 4.395 7.202 3.009 1.00 46.48 C ATOM 1829 CG GLN I 31 5.909 7.355 3.014 1.00 51.77 C ATOM 1830 CD GLN I 31 6.557 6.633 4.178 1.00 54.78 C ATOM 1831 OE1 GLN I 31 6.538 7.114 5.321 1.00 54.20 O ATOM 1832 NE2 GLN I 31 7.122 5.457 3.899 1.00 56.02 N ATOM 1833 N THR I 32 1.899 6.273 1.391 1.00 36.76 N ATOM 1834 CA THR I 32 0.517 5.826 1.382 1.00 34.40 C ATOM 1835 C THR I 32 0.125 5.251 2.735 1.00 32.52 C ATOM 1836 O THR I 32 0.972 4.771 3.490 1.00 32.35 O ATOM 1837 CB THR I 32 0.287 4.737 0.330 1.00 34.81 C ATOM 1838 OG1 THR I 32 1.160 3.632 0.590 1.00 36.66 O ATOM 1839 CG2 THR I 32 0.569 5.269 -1.060 1.00 34.55 C ATOM 1840 N PHE I 33 -1.163 5.339 3.042 1.00 29.58 N ATOM 1841 CA PHE I 33 -1.717 4.783 4.265 1.00 27.85 C ATOM 1842 C PHE I 33 -3.158 4.431 3.947 1.00 27.58 C ATOM 1843 O PHE I 33 -3.695 4.869 2.931 1.00 28.59 O ATOM 1844 CB PHE I 33 -1.656 5.772 5.444 1.00 27.37 C ATOM 1845 CG PHE I 33 -2.651 6.897 5.366 1.00 28.27 C ATOM 1846 CD1 PHE I 33 -2.428 7.992 4.531 1.00 28.65 C ATOM 1847 CD2 PHE I 33 -3.792 6.882 6.161 1.00 28.09 C ATOM 1848 CE1 PHE I 33 -3.324 9.055 4.495 1.00 26.68 C ATOM 1849 CE2 PHE I 33 -4.699 7.945 6.130 1.00 26.70 C ATOM 1850 CZ PHE I 33 -4.465 9.030 5.300 1.00 26.12 C ATOM 1851 N VAL I 34 -3.783 3.624 4.796 1.00 26.88 N ATOM 1852 CA VAL I 34 -5.163 3.244 4.565 1.00 26.12 C ATOM 1853 C VAL I 34 -6.115 4.182 5.289 1.00 25.95 C ATOM 1854 O VAL I 34 -6.056 4.311 6.512 1.00 25.84 O ATOM 1855 CB VAL I 34 -5.455 1.822 5.064 1.00 26.06 C ATOM 1856 CG1 VAL I 34 -6.888 1.451 4.725 1.00 25.57 C ATOM 1857 CG2 VAL I 34 -4.490 0.839 4.437 1.00 25.38 C ATOM 1858 N TYR I 35 -6.974 4.847 4.521 1.00 25.72 N ATOM 1859 CA TYR I 35 -7.986 5.732 5.076 1.00 25.64 C ATOM 1860 C TYR I 35 -9.269 4.901 5.134 1.00 26.38 C ATOM 1861 O TYR I 35 -9.662 4.286 4.127 1.00 25.54 O ATOM 1862 CB TYR I 35 -8.182 6.961 4.184 1.00 27.05 C ATOM 1863 CG TYR I 35 -9.383 7.796 4.561 1.00 25.36 C ATOM 1864 CD1 TYR I 35 -9.618 8.151 5.885 1.00 27.10 C ATOM 1865 CD2 TYR I 35 -10.284 8.228 3.595 1.00 26.25 C ATOM 1866 CE1 TYR I 35 -10.731 8.916 6.242 1.00 28.61 C ATOM 1867 CE2 TYR I 35 -11.392 8.996 3.935 1.00 25.94 C ATOM 1868 CZ TYR I 35 -11.610 9.333 5.262 1.00 27.33 C ATOM 1869 OH TYR I 35 -12.711 10.076 5.614 1.00 31.68 O ATOM 1870 N GLY I 36 -9.909 4.883 6.306 1.00 25.87 N ATOM 1871 CA GLY I 36 -11.116 4.094 6.508 1.00 25.81 C ATOM 1872 C GLY I 36 -12.420 4.619 5.929 1.00 27.12 C ATOM 1873 O GLY I 36 -13.443 3.926 5.955 1.00 26.51 O ATOM 1874 N GLY I 37 -12.407 5.841 5.415 1.00 26.26 N ATOM 1875 CA GLY I 37 -13.620 6.379 4.837 1.00 26.84 C ATOM 1876 C GLY I 37 -14.322 7.433 5.662 1.00 26.21 C ATOM 1877 O GLY I 37 -15.192 8.130 5.152 1.00 23.35 O ATOM 1878 N CYS I 38 -13.979 7.557 6.937 1.00 30.55 N ATOM 1879 CA CYS I 38 -14.655 8.569 7.732 1.00 33.44 C ATOM 1880 C CYS I 38 -13.757 9.234 8.777 1.00 32.84 C ATOM 1881 O CYS I 38 -12.806 8.625 9.280 1.00 31.34 O ATOM 1882 CB CYS I 38 -15.935 7.969 8.352 1.00 36.21 C ATOM 1883 SG CYS I 38 -15.734 6.763 9.713 1.00 47.94 S ATOM 1884 N ARG I 39 -14.025 10.515 9.055 1.00 34.04 N ATOM 1885 CA ARG I 39 -13.298 11.364 9.990 1.00 34.78 C ATOM 1886 C ARG I 39 -11.915 11.714 9.451 1.00 34.11 C ATOM 1887 O ARG I 39 -10.977 11.769 10.268 1.00 34.63 O ATOM 1888 CB ARG I 39 -13.166 10.668 11.346 1.00 38.85 C ATOM 1889 CG ARG I 39 -14.479 10.526 12.101 1.00 46.68 C ATOM 1890 CD ARG I 39 -14.841 11.813 12.824 1.00 52.76 C ATOM 1891 NE ARG I 39 -14.396 11.803 14.215 1.00 59.55 N ATOM 1892 CZ ARG I 39 -15.204 11.614 15.253 1.00 62.86 C ATOM 1893 NH1 ARG I 39 -16.500 11.418 15.061 1.00 64.46 N ATOM 1894 NH2 ARG I 39 -14.714 11.621 16.485 1.00 64.28 N ATOM 1895 N ALA I 40 -11.782 11.914 8.188 1.00 34.87 N ATOM 1896 CA ALA I 40 -10.480 12.236 7.627 1.00 35.16 C ATOM 1897 C ALA I 40 -9.858 13.466 8.279 1.00 36.65 C ATOM 1898 O ALA I 40 -10.557 14.403 8.659 1.00 36.56 O ATOM 1899 CB ALA I 40 -10.610 12.454 6.130 1.00 32.83 C ATOM 1900 N LYS I 41 -8.538 13.439 8.433 1.00 38.54 N ATOM 1901 CA LYS I 41 -7.796 14.569 8.983 1.00 39.05 C ATOM 1902 C LYS I 41 -7.245 15.271 7.747 1.00 38.65 C ATOM 1903 O LYS I 41 -7.477 14.809 6.630 1.00 37.64 O ATOM 1904 CB LYS I 41 -6.645 14.094 9.868 1.00 40.53 C ATOM 1905 CG LYS I 41 -7.073 13.484 11.188 1.00 46.11 C ATOM 1906 CD LYS I 41 -7.811 14.491 12.050 1.00 49.65 C ATOM 1907 CE LYS I 41 -8.159 13.886 13.400 1.00 52.95 C ATOM 1908 NZ LYS I 41 -6.929 13.403 14.093 1.00 54.06 N ATOM 1909 N ARG I 42 -6.517 16.369 7.928 1.00 39.10 N ATOM 1910 CA ARG I 42 -5.971 17.095 6.781 1.00 38.87 C ATOM 1911 C ARG I 42 -4.766 16.444 6.099 1.00 36.40 C ATOM 1912 O ARG I 42 -4.586 16.593 4.894 1.00 36.57 O ATOM 1913 CB ARG I 42 -5.615 18.537 7.165 1.00 42.19 C ATOM 1914 CG ARG I 42 -6.807 19.489 7.229 1.00 46.95 C ATOM 1915 CD ARG I 42 -7.296 19.683 8.654 1.00 53.20 C ATOM 1916 NE ARG I 42 -6.360 20.458 9.470 1.00 57.37 N ATOM 1917 CZ ARG I 42 -6.235 21.784 9.426 1.00 59.92 C ATOM 1918 NH1 ARG I 42 -6.989 22.502 8.603 1.00 60.65 N ATOM 1919 NH2 ARG I 42 -5.361 22.396 10.216 1.00 60.63 N ATOM 1920 N ASN I 43 -3.928 15.736 6.846 1.00 33.53 N ATOM 1921 CA ASN I 43 -2.779 15.096 6.214 1.00 31.94 C ATOM 1922 C ASN I 43 -3.301 13.832 5.538 1.00 31.05 C ATOM 1923 O ASN I 43 -2.977 12.714 5.942 1.00 28.47 O ATOM 1924 CB ASN I 43 -1.720 14.733 7.250 1.00 32.24 C ATOM 1925 CG ASN I 43 -0.348 14.580 6.637 1.00 34.86 C ATOM 1926 OD1 ASN I 43 -0.210 14.518 5.406 1.00 34.75 O ATOM 1927 ND2 ASN I 43 0.682 14.516 7.486 1.00 33.17 N ATOM 1928 N ASN I 44 -4.091 14.039 4.484 1.00 30.69 N ATOM 1929 CA ASN I 44 -4.744 12.964 3.743 1.00 28.48 C ATOM 1930 C ASN I 44 -4.947 13.448 2.296 1.00 29.07 C ATOM 1931 O ASN I 44 -5.750 14.341 2.052 1.00 29.73 O ATOM 1932 CB ASN I 44 -6.085 12.712 4.431 1.00 26.39 C ATOM 1933 CG ASN I 44 -6.880 11.601 3.809 1.00 26.84 C ATOM 1934 OD1 ASN I 44 -6.767 11.320 2.618 1.00 29.04 O ATOM 1935 ND2 ASN I 44 -7.726 10.974 4.617 1.00 24.25 N ATOM 1936 N PHE I 45 -4.229 12.863 1.341 1.00 29.73 N ATOM 1937 CA PHE I 45 -4.332 13.283 -0.058 1.00 30.85 C ATOM 1938 C PHE I 45 -4.644 12.137 -1.009 1.00 34.93 C ATOM 1939 O PHE I 45 -4.224 10.999 -0.779 1.00 35.45 O ATOM 1940 CB PHE I 45 -3.024 13.938 -0.514 1.00 28.87 C ATOM 1941 CG PHE I 45 -2.610 15.120 0.321 1.00 28.89 C ATOM 1942 CD1 PHE I 45 -1.933 14.935 1.521 1.00 26.13 C ATOM 1943 CD2 PHE I 45 -2.904 16.417 -0.095 1.00 26.23 C ATOM 1944 CE1 PHE I 45 -1.548 16.027 2.300 1.00 28.07 C ATOM 1945 CE2 PHE I 45 -2.526 17.514 0.674 1.00 27.25 C ATOM 1946 CZ PHE I 45 -1.845 17.319 1.874 1.00 28.35 C ATOM 1947 N LYS I 46 -5.356 12.447 -2.094 1.00 36.62 N ATOM 1948 CA LYS I 46 -5.721 11.436 -3.083 1.00 39.68 C ATOM 1949 C LYS I 46 -4.566 10.946 -3.940 1.00 39.41 C ATOM 1950 O LYS I 46 -4.635 9.855 -4.510 1.00 41.69 O ATOM 1951 CB LYS I 46 -6.835 11.949 -4.002 1.00 44.09 C ATOM 1952 CG LYS I 46 -8.237 11.896 -3.385 1.00 49.53 C ATOM 1953 CD LYS I 46 -9.322 12.122 -4.448 1.00 52.36 C ATOM 1954 CE LYS I 46 -10.728 11.951 -3.868 1.00 55.39 C ATOM 1955 NZ LYS I 46 -11.034 12.935 -2.787 1.00 53.88 N ATOM 1956 N SER I 47 -3.504 11.737 -4.042 1.00 38.56 N ATOM 1957 CA SER I 47 -2.352 11.333 -4.848 1.00 38.55 C ATOM 1958 C SER I 47 -1.055 11.791 -4.216 1.00 38.62 C ATOM 1959 O SER I 47 -1.056 12.617 -3.300 1.00 37.94 O ATOM 1960 CB SER I 47 -2.452 11.919 -6.258 1.00 37.92 C ATOM 1961 OG SER I 47 -2.391 13.333 -6.222 1.00 37.94 O ATOM 1962 N ALA I 48 0.055 11.251 -4.705 1.00 39.38 N ATOM 1963 CA ALA I 48 1.360 11.627 -4.182 1.00 40.23 C ATOM 1964 C ALA I 48 1.708 13.033 -4.666 1.00 39.89 C ATOM 1965 O ALA I 48 2.369 13.792 -3.959 1.00 39.49 O ATOM 1966 CB ALA I 48 2.423 10.629 -4.643 1.00 41.14 C ATOM 1967 N GLU I 49 1.255 13.377 -5.871 1.00 40.37 N ATOM 1968 CA GLU I 49 1.520 14.698 -6.433 1.00 40.21 C ATOM 1969 C GLU I 49 0.851 15.773 -5.599 1.00 38.95 C ATOM 1970 O GLU I 49 1.492 16.758 -5.241 1.00 40.12 O ATOM 1971 CB GLU I 49 1.020 14.805 -7.877 1.00 43.43 C ATOM 1972 CG GLU I 49 1.739 13.918 -8.893 1.00 49.88 C ATOM 1973 CD GLU I 49 1.481 12.436 -8.673 1.00 55.05 C ATOM 1974 OE1 GLU I 49 0.312 12.056 -8.426 1.00 56.32 O ATOM 1975 OE2 GLU I 49 2.449 11.649 -8.759 1.00 58.25 O ATOM 1976 N ASP I 50 -0.432 15.591 -5.287 1.00 36.36 N ATOM 1977 CA ASP I 50 -1.144 16.578 -4.476 1.00 38.14 C ATOM 1978 C ASP I 50 -0.508 16.736 -3.100 1.00 35.63 C ATOM 1979 O ASP I 50 -0.429 17.840 -2.562 1.00 35.31 O ATOM 1980 CB ASP I 50 -2.622 16.204 -4.301 1.00 41.79 C ATOM 1981 CG ASP I 50 -3.408 16.304 -5.600 1.00 49.20 C ATOM 1982 OD1 ASP I 50 -3.222 17.299 -6.342 1.00 50.36 O ATOM 1983 OD2 ASP I 50 -4.221 15.390 -5.873 1.00 52.78 O ATOM 1984 N CYS I 51 -0.063 15.628 -2.526 1.00 33.08 N ATOM 1985 CA CYS I 51 0.572 15.668 -1.222 1.00 33.21 C ATOM 1986 C CYS I 51 1.899 16.433 -1.292 1.00 32.39 C ATOM 1987 O CYS I 51 2.166 17.294 -0.458 1.00 30.63 O ATOM 1988 CB CYS I 51 0.802 14.247 -0.713 1.00 34.27 C ATOM 1989 SG CYS I 51 1.681 14.155 0.876 1.00 36.72 S ATOM 1990 N MET I 52 2.718 16.134 -2.296 1.00 34.41 N ATOM 1991 CA MET I 52 4.004 16.817 -2.443 1.00 37.89 C ATOM 1992 C MET I 52 3.840 18.295 -2.790 1.00 38.02 C ATOM 1993 O MET I 52 4.596 19.135 -2.302 1.00 36.17 O ATOM 1994 CB MET I 52 4.871 16.130 -3.504 1.00 41.84 C ATOM 1995 CG MET I 52 5.495 14.825 -3.030 1.00 47.08 C ATOM 1996 SD MET I 52 6.517 15.053 -1.543 1.00 56.03 S ATOM 1997 CE MET I 52 8.130 15.386 -2.299 1.00 52.35 C ATOM 1998 N ARG I 53 2.858 18.617 -3.629 1.00 37.63 N ATOM 1999 CA ARG I 53 2.613 20.013 -3.997 1.00 39.79 C ATOM 2000 C ARG I 53 2.271 20.844 -2.767 1.00 39.30 C ATOM 2001 O ARG I 53 2.656 22.003 -2.664 1.00 40.32 O ATOM 2002 CB ARG I 53 1.442 20.131 -4.981 1.00 41.02 C ATOM 2003 CG ARG I 53 1.768 19.790 -6.415 1.00 44.43 C ATOM 2004 CD ARG I 53 0.691 20.366 -7.333 1.00 46.99 C ATOM 2005 NE ARG I 53 -0.437 19.465 -7.533 1.00 47.02 N ATOM 2006 CZ ARG I 53 -0.428 18.454 -8.394 1.00 46.94 C ATOM 2007 NH1 ARG I 53 0.651 18.221 -9.130 1.00 46.53 N ATOM 2008 NH2 ARG I 53 -1.496 17.683 -8.522 1.00 46.43 N ATOM 2009 N THR I 54 1.539 20.238 -1.839 1.00 40.13 N ATOM 2010 CA THR I 54 1.109 20.921 -0.625 1.00 41.28 C ATOM 2011 C THR I 54 2.113 20.855 0.529 1.00 42.41 C ATOM 2012 O THR I 54 2.312 21.835 1.241 1.00 42.87 O ATOM 2013 CB THR I 54 -0.230 20.338 -0.145 1.00 39.92 C ATOM 2014 OG1 THR I 54 -1.148 20.305 -1.241 1.00 40.55 O ATOM 2015 CG2 THR I 54 -0.815 21.175 0.968 1.00 37.61 C ATOM 2016 N CYS I 55 2.742 19.702 0.713 1.00 43.80 N ATOM 2017 CA CYS I 55 3.698 19.539 1.801 1.00 47.67 C ATOM 2018 C CYS I 55 5.137 19.289 1.331 1.00 51.20 C ATOM 2019 O CYS I 55 5.970 18.816 2.107 1.00 52.73 O ATOM 2020 CB CYS I 55 3.274 18.369 2.702 1.00 47.05 C ATOM 2021 SG CYS I 55 1.626 18.426 3.491 1.00 43.24 S ATOM 2022 N GLY I 56 5.432 19.602 0.072 1.00 54.63 N ATOM 2023 CA GLY I 56 6.772 19.374 -0.444 1.00 58.50 C ATOM 2024 C GLY I 56 7.756 20.504 -0.201 1.00 62.49 C ATOM 2025 O GLY I 56 8.732 20.285 0.553 1.00 63.98 O TER 2026 GLY I 56 HETATM 2027 O HOH A 106 -17.607 13.178 12.483 1.00 54.23 O HETATM 2028 O HOH A 107 -16.936 11.010 8.089 1.00 39.84 O HETATM 2029 O HOH A 108 -27.698 16.741 15.047 1.00 71.04 O HETATM 2030 O HOH A 109 -16.664 6.566 15.768 1.00 40.54 O HETATM 2031 O HOH A 110 -20.611 -9.225 18.747 1.00 42.11 O HETATM 2032 O HOH A 111 -26.435 14.652 7.817 1.00 46.56 O HETATM 2033 O HOH A 112 -17.440 -5.617 -12.916 1.00 46.46 O HETATM 2034 O HOH A 113 -24.702 -22.757 12.883 1.00 57.18 O HETATM 2035 O HOH A 114 -27.334 -14.788 -2.935 1.00 46.61 O HETATM 2036 O HOH A 115 -20.235 8.796 7.836 1.00 50.46 O HETATM 2037 O HOH A 116 -17.086 -24.899 5.025 1.00 52.91 O HETATM 2038 O HOH A 117 -19.239 -9.354 -11.380 1.00 57.74 O HETATM 2039 O HOH A 118 -18.224 8.998 -18.569 1.00 51.29 O HETATM 2040 O HOH A 119 -15.636 -22.568 9.821 1.00 52.89 O HETATM 2041 O HOH B 193 -30.683 -5.035 12.098 1.00 45.48 O HETATM 2042 O HOH B 194 -9.367 -12.052 9.451 1.00 49.34 O HETATM 2043 O HOH B 195 -12.883 10.717 1.259 1.00 51.09 O HETATM 2044 O HOH B 196 -32.757 -11.085 -4.996 1.00 42.36 O HETATM 2045 O HOH B 197 -13.132 -12.980 3.979 1.00 35.10 O HETATM 2046 O HOH B 198 -30.634 -9.081 -7.566 1.00 42.97 O HETATM 2047 O HOH B 199 -18.810 5.603 12.933 1.00 33.97 O HETATM 2048 O HOH B 200 -7.089 4.340 -5.110 1.00 40.48 O HETATM 2049 O HOH B 201 -29.544 -17.957 17.817 1.00 56.31 O HETATM 2050 O HOH B 202 -31.911 -10.815 2.118 1.00 52.90 O HETATM 2051 O HOH B 203 -24.899 4.234 10.576 1.00 35.90 O HETATM 2052 O HOH B 204 -14.108 -11.279 -6.268 1.00 63.14 O HETATM 2053 O HOH B 205 -30.835 -14.936 13.510 1.00 46.92 O HETATM 2054 O HOH B 206 -33.554 -7.662 4.498 1.00 55.04 O HETATM 2055 O HOH B 207 -20.752 -17.649 2.788 1.00 60.50 O HETATM 2056 O HOH B 208 -14.578 6.119 17.346 1.00 46.41 O HETATM 2057 O HOH B 209 -10.018 -8.814 -2.543 1.00 37.89 O HETATM 2058 O HOH B 210 -27.104 13.211 3.225 1.00 43.01 O HETATM 2059 O HOH B 211 -19.991 6.662 9.088 1.00 29.51 O HETATM 2060 O HOH B 212 -32.516 -11.287 14.530 1.00 51.31 O HETATM 2061 O HOH B 213 -28.568 0.933 11.593 1.00 40.93 O HETATM 2062 O HOH B 214 -6.652 -3.782 8.218 1.00 59.91 O HETATM 2063 O HOH B 215 -37.451 -8.412 10.739 1.00 39.73 O HETATM 2064 O HOH B 216 -26.381 10.659 -6.899 1.00 53.77 O HETATM 2065 O HOH B 217 -30.100 -2.927 13.261 1.00 45.15 O HETATM 2066 O HOH B 218 -12.520 -10.030 15.573 1.00 47.31 O HETATM 2067 O HOH B 219 -18.186 -1.582 -20.291 1.00 50.50 O HETATM 2068 O HOH B 220 -12.936 -5.785 18.702 1.00 49.45 O HETATM 2069 O HOH B 221 -26.860 9.810 -4.394 1.00 57.32 O HETATM 2070 O HOH B 222 -24.017 3.980 -21.877 1.00 56.66 O HETATM 2071 O HOH B 223 -6.014 -17.331 1.653 1.00 57.43 O HETATM 2072 O HOH B 224 -34.523 4.693 4.543 1.00 60.07 O HETATM 2073 O HOH B 225 -35.525 -13.412 8.724 1.00 53.36 O HETATM 2074 O HOH B 226 -30.238 5.268 -10.217 1.00 51.04 O HETATM 2075 O HOH B 227 -8.281 -2.026 15.208 1.00 54.77 O HETATM 2076 O HOH B 228 -28.791 3.628 9.007 1.00 51.91 O HETATM 2077 O HOH B 229 -10.874 -16.888 4.086 1.00 47.96 O HETATM 2078 O HOH B 230 -3.298 1.855 -12.207 1.00 49.53 O HETATM 2079 O HOH B 231 -35.459 -8.822 1.240 1.00 52.85 O HETATM 2080 O HOH B 232 -14.704 -15.120 -1.650 1.00 59.53 O HETATM 2081 O HOH B 233 -30.942 -12.754 -8.951 1.00 50.92 O HETATM 2082 O HOH B 234 -35.086 -1.780 -10.503 1.00 54.56 O HETATM 2083 O HOH B 235 -7.345 -6.225 -2.441 1.00 52.77 O HETATM 2084 O HOH B 236 -35.072 3.376 7.792 1.00 50.49 O HETATM 2085 O HOH B 237 -10.065 -11.996 -3.284 1.00 54.84 O HETATM 2086 O HOH B 238 -2.739 4.433 -5.010 1.00 54.29 O HETATM 2087 O HOH I 59 -12.363 5.847 9.036 1.00 24.46 O HETATM 2088 O HOH I 60 -10.138 8.627 -2.487 1.00 51.58 O HETATM 2089 O HOH I 61 -6.082 -7.920 4.806 1.00 67.06 O HETATM 2090 O HOH I 62 -6.993 11.112 7.496 1.00 28.50 O HETATM 2091 O HOH I 63 -6.086 14.642 -7.432 1.00 46.33 O HETATM 2092 O HOH I 64 5.289 13.611 8.854 1.00 60.26 O HETATM 2093 O HOH I 65 -5.114 5.415 -3.993 1.00 58.47 O HETATM 2094 O HOH I 66 -4.479 11.709 7.936 1.00 25.40 O HETATM 2095 O HOH I 67 8.408 25.272 3.945 1.00 58.30 O HETATM 2096 O HOH I 68 10.411 17.203 0.665 1.00 57.19 O HETATM 2097 O HOH I 69 -5.851 15.233 -3.000 1.00 33.60 O HETATM 2098 O HOH I 70 -7.102 5.333 13.174 1.00 38.39 O HETATM 2099 O HOH I 71 -7.221 2.776 12.975 1.00 39.47 O HETATM 2100 O HOH I 72 -4.398 5.362 12.172 1.00 45.57 O HETATM 2101 O HOH I 73 3.936 23.939 -1.563 1.00 36.55 O HETATM 2102 O HOH I 74 -2.477 4.484 10.732 1.00 48.81 O HETATM 2103 O HOH I 75 -10.228 17.010 7.742 1.00 48.20 O HETATM 2104 O HOH I 76 15.335 10.431 7.086 1.00 59.97 O HETATM 2105 O HOH I 77 -3.642 11.548 13.622 1.00 44.77 O HETATM 2106 O HOH I 78 -17.950 9.300 6.217 1.00 50.56 O HETATM 2107 O HOH I 79 -11.130 1.691 11.037 1.00 48.90 O HETATM 2108 O HOH I 80 -3.847 13.253 9.998 1.00 39.30 O HETATM 2109 O HOH I 81 -8.737 -0.206 11.524 1.00 47.53 O HETATM 2110 O HOH I 82 -6.288 17.445 10.593 1.00 50.65 O HETATM 2111 O HOH I 83 -7.538 7.596 -2.542 1.00 74.27 O HETATM 2112 O HOH I 84 0.438 26.133 8.495 1.00 52.06 O HETATM 2113 O HOH I 85 -0.701 8.956 -6.833 1.00 48.81 O HETATM 2114 O HOH I 86 -2.925 19.910 -4.634 1.00 49.34 O HETATM 2115 O HOH I 87 11.852 21.871 6.486 1.00 52.97 O CONECT 1624 2021 CONECT 1691 1883 CONECT 1823 1989 CONECT 1883 1691 CONECT 1989 1823 CONECT 2021 1624 MASTER 348 0 0 4 22 0 0 6 2112 3 6 25 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3u1j
RCSB PDB
PDBbind
Pancreatic trypsin inhibitor
Entry Information
PDB ID
2ijo
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
NS2B-NS3(K104R) protease
Ligand Name
pancreatic trypsin inhibitor
EC.Number
E.C.3.4.21.91
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=24nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
Protein science : a publication of the Protein Society (2007) 16, pp. 795-806
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):
P06935
P00974
Entrez Gene ID
NCBI Entrez Gene ID:
912267
ASD
Information of known allosteric effects of PDB entries
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