Browse entries in the PDBbind-CN Database
HEADER IMMUNE SYSTEM 17-AUG-05 2AQ2 TITLE CRYSTAL STRUCTURE OF T-CELL RECEPTOR V BETA DOMAIN VARIANT COMPLEXED TITLE 2 WITH SUPERANTIGEN SEC3 MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: T-CELL RECEPTOR BETA CHAIN V; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: ENTEROTOXIN TYPE C-3; COMPND 8 CHAIN: B; COMPND 9 SYNONYM: SEC3; COMPND 10 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PT7-7; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 12 ORGANISM_TAXID: 1280; SOURCE 13 GENE: ENTC3; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS T-CELL RECEPTOR V BETA DOMAIN, STAPHLOCOCCAL ENTEROTOXIN C3, COMPLEX KEYWDS 2 STRUCTURE, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR S.CHO,C.P.SWAMINATHAN,J.YANG,M.C.KERZIC,R.GUAN,M.C.KIEKE,D.M.KRANZ, AUTHOR 2 R.A.MARIUZZA,E.J.SUNDBERG REVDAT 3 11-OCT-17 2AQ2 1 REMARK REVDAT 2 24-FEB-09 2AQ2 1 VERSN REVDAT 1 21-MAR-06 2AQ2 0 JRNL AUTH S.CHO,C.P.SWAMINATHAN,J.YANG,M.C.KERZIC,R.GUAN,M.C.KIEKE, JRNL AUTH 2 D.M.KRANZ,R.A.MARIUZZA,E.J.SUNDBERG JRNL TITL STRUCTURAL BASIS OF AFFINITY MATURATION AND INTRAMOLECULAR JRNL TITL 2 COOPERATIVITY IN A PROTEIN-PROTEIN INTERACTION. JRNL REF STRUCTURE V. 13 1775 2005 JRNL REFN ISSN 0969-2126 JRNL PMID 16338399 JRNL DOI 10.1016/J.STR.2005.08.015 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 44890 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.185 REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.213 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2257 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2922 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.04 REMARK 3 BIN R VALUE (WORKING SET) : 0.2520 REMARK 3 BIN FREE R VALUE SET COUNT : 167 REMARK 3 BIN FREE R VALUE : 0.3100 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2764 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 29 REMARK 3 SOLVENT ATOMS : 231 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.71 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.98000 REMARK 3 B22 (A**2) : 0.98000 REMARK 3 B33 (A**2) : -1.47000 REMARK 3 B12 (A**2) : 0.49000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.107 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.104 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.068 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.149 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.952 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2848 ; 0.014 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3851 ; 1.379 ; 1.950 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 340 ; 6.103 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 141 ;36.489 ;25.248 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 491 ;14.205 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;10.700 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 403 ; 0.109 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2161 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1219 ; 0.228 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1932 ; 0.304 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 242 ; 0.157 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 1 ; 0.189 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 52 ; 0.159 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 14 ; 0.136 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1704 ; 1.034 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2750 ; 1.933 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1189 ; 2.910 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1101 ; 4.592 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 2AQ2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-06. REMARK 100 THE DEPOSITION ID IS D_1000034178. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-OCT-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X25 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.072 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 44916 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 4.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 3.600 REMARK 200 R MERGE (I) : 0.05200 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.20 REMARK 200 R MERGE FOR SHELL (I) : 0.36900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 63.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.0 M AMMONIUM SULFATE, 0.1 M TRIS, REMARK 280 0.3 % 1,6-DIAMINOHEXANE, PH 7.0, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 61.45467 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.72733 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 46.09100 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 15.36367 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 76.81833 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2720 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15970 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -97.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2840 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -104.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 2 -0.500000 0.866025 0.000000 -48.26850 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 83.60349 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 30.72733 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 ILE A -1 REMARK 465 LEU A 0 REMARK 465 GLU B 1 REMARK 465 ASN B 236 REMARK 465 GLY B 237 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH B 1052 O HOH B 1173 2.09 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 ASP A 62 C GLY A 63 N -0.174 REMARK 500 TYR A 101 C PHE A 108 N 0.214 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLY A 63 O - C - N ANGL. DEV. = -12.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 41 -142.77 -128.87 REMARK 500 ILE A 46 -60.68 -94.81 REMARK 500 SER A 88 173.80 179.87 REMARK 500 PHE B 44 -72.49 -101.95 REMARK 500 LEU B 58 -156.98 -109.14 REMARK 500 ASP B 122 22.26 -67.18 REMARK 500 ASN B 123 21.34 -163.83 REMARK 500 SER B 176 -153.38 -138.96 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 TYR A 101 -12.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B1001 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 120 NE2 REMARK 620 2 HIS B 116 ND1 133.8 REMARK 620 3 ASP B 83 OD1 146.8 77.2 REMARK 620 4 ASP B 83 OD2 95.2 119.3 52.9 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 1003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 1004 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 500 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 504 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2APB RELATED DB: PDB REMARK 900 THE G17E/S54N/L81S VARIANT OF THE MURINE T CELL RECEPTOR V BETA 8.2 REMARK 900 DOMAIN REMARK 900 RELATED ID: 2APF RELATED DB: PDB REMARK 900 THE G17E/A52V/S54N/K66E/L81S VARIANT OF THE MURINE T CELL RECEPTOR REMARK 900 V BETA 8.2 DOMAIN REMARK 900 RELATED ID: 2APT RELATED DB: PDB REMARK 900 THE G17E/S54N/K66E/Q72H/E80V/L81S/T87S/G96V VARIANT OF THE MURINE T REMARK 900 CELL RECEPTOR V BETA 8.2 DOMAIN REMARK 900 RELATED ID: 2APV RELATED DB: PDB REMARK 900 THE G17E/A52V/S54N/Q72H/E80V/L81S/T87S/G96V VARIANT OF THE MURINE T REMARK 900 CELL RECEPTOR V BETA 8.2 DOMAIN REMARK 900 RELATED ID: 2APW RELATED DB: PDB REMARK 900 THE G17E/A52V/S54N/K66E/E80V/L81S/T87S/G96V VARIANT OF THE MURINE T REMARK 900 CELL RECEPTOR V BETA 8.2 DOMAIN REMARK 900 RELATED ID: 2APX RELATED DB: PDB REMARK 900 THE G17E/A52V/S54N/K66E/Q72H/E80V/L81S/T87S/G96V VARIANT OF THE REMARK 900 MURINE T CELL RECEPTOR V BETA 8.2 DOMAIN REMARK 900 RELATED ID: 2AQ1 RELATED DB: PDB REMARK 900 T-CELL RECEPTOR V BETA DOMAIN VARIANT (G17E/A52V/S54N/K66E/E80V/ REMARK 900 L81S/T87S/G96V) COMPLEXED WITH SUPERANTIGEN SEC3 MUTANT REMARK 900 RELATED ID: 2AQ3 RELATED DB: PDB REMARK 900 T-CELL RECEPTOR V BETA DOMAIN VARIANT (G17E/L81S) COMPLEXED WITH REMARK 900 SUPERANTIGEN SEC3 MUTANT REMARK 999 REMARK 999 SEQUENCE REMARK 999 NO SUITABLE SEQUENCE DATABASE REFERENCE WAS AVAILABLE REMARK 999 FOR THE CHAIN A AT THE TIME OF PROCESSING THIS ENTRY. REMARK 999 THE FIVE SEC3 WILD TYPE RESIDUES AT POSITIONS 102-106 REMARK 999 (GKVTG) IN CHAIN B ARE REPLACED BY THREE RESIDUES (WWP). DBREF 2AQ2 A 1 117 UNP P04213 TVB5_MOUSE 9 122 DBREF 2AQ2 B 1 237 UNP P0A0L5 ENTC3_STAAU 28 266 SEQADV 2AQ2 B UNP P0A0L5 GLY 129 SEE REMARK 999 SEQADV 2AQ2 B UNP P0A0L5 LYS 130 SEE REMARK 999 SEQADV 2AQ2 TRP B 102 UNP P0A0L5 VAL 131 SEE REMARK 999 SEQADV 2AQ2 TRP B 103 UNP P0A0L5 THR 132 SEE REMARK 999 SEQADV 2AQ2 PRO B 104 UNP P0A0L5 GLY 133 SEE REMARK 999 SEQRES 1 A 112 ILE LEU GLU ALA ALA VAL THR GLN SER PRO ARG ASN LYS SEQRES 2 A 112 VAL ALA VAL THR GLY GLU LYS VAL THR LEU SER CYS GLN SEQRES 3 A 112 GLN THR ASN ASN HIS ASN ASN MET TYR TRP TYR ARG GLN SEQRES 4 A 112 ASP THR GLY HIS GLY LEU ARG LEU ILE HIS TYR SER TYR SEQRES 5 A 112 GLY VAL GLY ASN THR GLU LYS GLY ASP ILE PRO ASP GLY SEQRES 6 A 112 TYR GLU ALA SER ARG PRO SER GLN GLU GLN PHE SER LEU SEQRES 7 A 112 ILE LEU GLU SER ALA THR PRO SER GLN THR SER VAL TYR SEQRES 8 A 112 PHE CYS ALA SER GLY GLY GLY GLY THR LEU TYR PHE GLY SEQRES 9 A 112 ALA GLY THR ARG LEU SER VAL LEU SEQRES 1 B 237 GLU SER GLN PRO ASP PRO MET PRO ASP ASP LEU HIS LYS SEQRES 2 B 237 SER SER GLU PHE THR GLY THR MET GLY ASN MET LYS TYR SEQRES 3 B 237 LEU TYR ASP ASP HIS TYR VAL SER ALA THR LYS VAL LYS SEQRES 4 B 237 SER VAL ASP LYS PHE LEU ALA HIS ASP LEU ILE TYR ASN SEQRES 5 B 237 ILE SER ASP LYS LYS LEU LYS ASN TYR ASP LYS VAL LYS SEQRES 6 B 237 THR GLU LEU LEU ASN GLU ASP LEU ALA LYS LYS TYR LYS SEQRES 7 B 237 ASP GLU VAL VAL ASP VAL TYR GLY SER ASN TYR TYR VAL SEQRES 8 B 237 ASN CYS TYR PHE SER SER LYS ASP ASN VAL TRP TRP PRO SEQRES 9 B 237 GLY LYS THR CYS MET TYR GLY GLY ILE THR LYS HIS GLU SEQRES 10 B 237 GLY ASN HIS PHE ASP ASN GLY ASN LEU GLN ASN VAL LEU SEQRES 11 B 237 VAL ARG VAL TYR GLU ASN LYS ARG ASN THR ILE SER PHE SEQRES 12 B 237 GLU VAL GLN THR ASP LYS LYS SER VAL THR ALA GLN GLU SEQRES 13 B 237 LEU ASP ILE LYS ALA ARG ASN PHE LEU ILE ASN LYS LYS SEQRES 14 B 237 ASN LEU TYR GLU PHE ASN SER SER PRO TYR GLU THR GLY SEQRES 15 B 237 TYR ILE LYS PHE ILE GLU ASN ASN GLY ASN THR PHE TRP SEQRES 16 B 237 TYR ASP MET MET PRO ALA PRO GLY ASP LYS PHE ASP GLN SEQRES 17 B 237 SER LYS TYR LEU MET MET TYR ASN ASP ASN LYS THR VAL SEQRES 18 B 237 ASP SER LYS SER VAL LYS ILE GLU VAL HIS LEU THR THR SEQRES 19 B 237 LYS ASN GLY HET ZN B1001 1 HET NA B1002 1 HET NA B1003 1 HET NA B1004 1 HET SO4 B 500 5 HET SO4 B 501 5 HET SO4 B 502 5 HET SO4 B 503 5 HET SO4 B 504 5 HETNAM ZN ZINC ION HETNAM NA SODIUM ION HETNAM SO4 SULFATE ION FORMUL 3 ZN ZN 2+ FORMUL 4 NA 3(NA 1+) FORMUL 7 SO4 5(O4 S 2-) FORMUL 12 HOH *231(H2 O) HELIX 1 1 THR A 83 THR A 87 5 5 HELIX 2 2 MET B 7 LEU B 11 5 5 HELIX 3 3 LYS B 13 PHE B 17 5 5 HELIX 4 4 MET B 21 TYR B 26 1 6 HELIX 5 5 ASN B 70 LYS B 78 1 9 HELIX 6 6 ALA B 154 ASN B 170 1 17 HELIX 7 7 ASP B 207 MET B 213 1 7 HELIX 8 8 MET B 214 ASN B 218 5 5 SHEET 1 A 4 VAL A 4 SER A 7 0 SHEET 2 A 4 VAL A 19 GLN A 25 -1 O SER A 22 N SER A 7 SHEET 3 A 4 GLN A 74 LEU A 79 -1 O LEU A 79 N VAL A 19 SHEET 4 A 4 GLU A 66 SER A 71 -1 N GLU A 66 O ILE A 78 SHEET 1 B 6 ASN A 10 ALA A 13 0 SHEET 2 B 6 THR A 112 VAL A 116 1 O SER A 115 N ALA A 13 SHEET 3 B 6 SER A 88 GLY A 96 -1 N TYR A 90 O THR A 112 SHEET 4 B 6 ASN A 31 GLN A 37 -1 N TYR A 35 O PHE A 91 SHEET 5 B 6 LEU A 43 SER A 49 -1 O ILE A 46 N TRP A 34 SHEET 6 B 6 GLU A 56 LYS A 57 -1 O GLU A 56 N TYR A 48 SHEET 1 C 4 ASN A 10 ALA A 13 0 SHEET 2 C 4 THR A 112 VAL A 116 1 O SER A 115 N ALA A 13 SHEET 3 C 4 SER A 88 GLY A 96 -1 N TYR A 90 O THR A 112 SHEET 4 C 4 THR A 99 PHE A 108 -1 O TYR A 101 N SER A 94 SHEET 1 D 3 VAL B 33 VAL B 38 0 SHEET 2 D 3 VAL B 82 GLY B 86 -1 O VAL B 82 N VAL B 38 SHEET 3 D 3 ILE B 113 LYS B 115 -1 O THR B 114 N ASP B 83 SHEET 1 E 3 ASP B 48 TYR B 51 0 SHEET 2 E 3 TYR B 61 GLU B 67 -1 O THR B 66 N LEU B 49 SHEET 3 E 3 GLY B 105 TYR B 110 1 O GLY B 105 N ASP B 62 SHEET 1 F 5 ARG B 138 THR B 147 0 SHEET 2 F 5 GLN B 127 GLU B 135 -1 N VAL B 131 O PHE B 143 SHEET 3 F 5 LYS B 227 THR B 234 1 O VAL B 230 N TYR B 134 SHEET 4 F 5 TYR B 179 ILE B 187 -1 N LYS B 185 O GLU B 229 SHEET 5 F 5 THR B 193 ASP B 197 -1 O PHE B 194 N PHE B 186 SHEET 1 G 2 SER B 151 THR B 153 0 SHEET 2 G 2 THR B 220 ASP B 222 -1 O VAL B 221 N VAL B 152 SSBOND 1 CYS A 23 CYS A 92 1555 1555 1.97 SSBOND 2 CYS B 93 CYS B 108 1555 1555 2.11 LINK ZN ZN B1001 NE2 HIS B 120 1555 1555 1.87 LINK ZN ZN B1001 ND1 HIS B 116 1555 1555 2.12 LINK ZN ZN B1001 OD1 ASP B 83 1555 1555 2.69 LINK ZN ZN B1001 OD2 ASP B 83 1555 1555 2.18 LINK NA NA B1004 O HOH B1150 1555 1555 2.67 CISPEP 1 SER A 7 PRO A 8 0 -1.85 SITE 1 AC1 3 ASP B 83 HIS B 116 HIS B 120 SITE 1 AC2 3 GLU A 1 PHE B 174 ASN B 175 SITE 1 AC3 2 LYS B 25 PHE B 174 SITE 1 AC4 4 TYR B 77 THR B 114 LYS B 115 HOH B1150 SITE 1 AC5 5 TYR A 33 HOH A 174 HIS B 47 ASN B 70 SITE 2 AC5 5 GLU B 71 SITE 1 AC6 10 HOH A 131 TYR B 26 HIS B 31 ASP B 55 SITE 2 AC6 10 ASN B 60 ASN B 88 TYR B 90 HOH B1050 SITE 3 AC6 10 HOH B1086 HOH B1088 SITE 1 AC7 4 LYS B 75 ARG B 138 HOH B1038 HOH B1142 SITE 1 AC8 4 LYS B 75 LYS B 78 ARG B 138 HOH B1059 SITE 1 AC9 4 GLY B 203 ASP B 204 LYS B 205 HOH B1151 CRYST1 96.537 96.537 92.182 90.00 90.00 120.00 P 65 6 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 0.010360 0.005980 0.000000 0.00000 SCALE2 0.000000 0.011960 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010850 0.00000 ATOM 1 N GLU A 1 21.967 27.848 -1.048 1.00 50.82 N ATOM 2 CA GLU A 1 20.688 27.562 -1.764 1.00 50.45 C ATOM 3 C GLU A 1 20.427 28.622 -2.831 1.00 49.49 C ATOM 4 O GLU A 1 20.861 29.779 -2.688 1.00 49.90 O ATOM 5 CB GLU A 1 19.528 27.520 -0.770 1.00 50.86 C ATOM 6 CG GLU A 1 18.409 26.569 -1.148 1.00 53.10 C ATOM 7 CD GLU A 1 17.327 26.483 -0.082 1.00 56.48 C ATOM 8 OE1 GLU A 1 16.426 25.626 -0.223 1.00 58.44 O ATOM 9 OE2 GLU A 1 17.369 27.268 0.897 1.00 58.16 O ATOM 10 N ALA A 2 19.737 28.228 -3.903 1.00 47.84 N ATOM 11 CA ALA A 2 19.303 29.185 -4.921 1.00 46.21 C ATOM 12 C ALA A 2 18.259 30.142 -4.318 1.00 44.51 C ATOM 13 O ALA A 2 17.260 29.698 -3.717 1.00 44.30 O ATOM 14 CB ALA A 2 18.739 28.460 -6.145 1.00 46.36 C ATOM 15 N ALA A 3 18.520 31.443 -4.457 1.00 42.17 N ATOM 16 CA ALA A 3 17.587 32.492 -4.016 1.00 39.66 C ATOM 17 C ALA A 3 16.187 32.263 -4.605 1.00 38.15 C ATOM 18 O ALA A 3 15.193 32.353 -3.895 1.00 37.01 O ATOM 19 CB ALA A 3 18.112 33.880 -4.379 1.00 38.78 C ATOM 20 N VAL A 4 16.124 31.941 -5.901 1.00 36.79 N ATOM 21 CA VAL A 4 14.842 31.656 -6.564 1.00 35.49 C ATOM 22 C VAL A 4 14.945 30.375 -7.374 1.00 35.26 C ATOM 23 O VAL A 4 15.829 30.265 -8.222 1.00 34.79 O ATOM 24 CB VAL A 4 14.406 32.812 -7.523 1.00 35.58 C ATOM 25 CG1 VAL A 4 13.049 32.506 -8.153 1.00 34.77 C ATOM 26 CG2 VAL A 4 14.392 34.190 -6.803 1.00 35.35 C ATOM 27 N THR A 5 14.057 29.419 -7.105 1.00 35.38 N ATOM 28 CA THR A 5 13.926 28.189 -7.887 1.00 36.09 C ATOM 29 C THR A 5 12.622 28.194 -8.694 1.00 36.45 C ATOM 30 O THR A 5 11.563 28.477 -8.155 1.00 36.48 O ATOM 31 CB THR A 5 13.937 26.939 -6.972 1.00 36.27 C ATOM 32 OG1 THR A 5 15.129 26.942 -6.186 1.00 37.30 O ATOM 33 CG2 THR A 5 13.908 25.636 -7.792 1.00 37.25 C ATOM 34 N GLN A 6 12.718 27.865 -9.979 1.00 37.01 N ATOM 35 CA GLN A 6 11.560 27.686 -10.857 1.00 37.75 C ATOM 36 C GLN A 6 11.330 26.230 -11.221 1.00 39.18 C ATOM 37 O GLN A 6 12.277 25.458 -11.329 1.00 39.71 O ATOM 38 CB GLN A 6 11.778 28.438 -12.156 1.00 37.66 C ATOM 39 CG GLN A 6 11.617 29.908 -12.026 1.00 35.76 C ATOM 40 CD GLN A 6 11.944 30.651 -13.295 1.00 32.64 C ATOM 41 OE1 GLN A 6 12.675 31.623 -13.258 1.00 31.95 O ATOM 42 NE2 GLN A 6 11.372 30.221 -14.423 1.00 33.22 N ATOM 43 N SER A 7 10.075 25.872 -11.450 1.00 40.39 N ATOM 44 CA SER A 7 9.714 24.512 -11.833 1.00 42.05 C ATOM 45 C SER A 7 8.434 24.494 -12.677 1.00 42.70 C ATOM 46 O SER A 7 7.438 25.120 -12.291 1.00 42.40 O ATOM 47 CB SER A 7 9.504 23.663 -10.587 1.00 42.05 C ATOM 48 OG SER A 7 9.239 22.322 -10.955 1.00 45.34 O ATOM 49 N PRO A 8 8.444 23.779 -13.827 1.00 43.36 N ATOM 50 CA PRO A 8 9.560 23.017 -14.424 1.00 43.93 C ATOM 51 C PRO A 8 10.581 23.938 -15.074 1.00 44.55 C ATOM 52 O PRO A 8 10.285 25.113 -15.292 1.00 44.23 O ATOM 53 CB PRO A 8 8.868 22.181 -15.499 1.00 43.80 C ATOM 54 CG PRO A 8 7.702 23.031 -15.919 1.00 43.96 C ATOM 55 CD PRO A 8 7.224 23.694 -14.652 1.00 43.45 C ATOM 56 N ARG A 9 11.768 23.415 -15.377 1.00 45.31 N ATOM 57 CA ARG A 9 12.778 24.192 -16.094 1.00 46.50 C ATOM 58 C ARG A 9 12.575 24.083 -17.601 1.00 46.74 C ATOM 59 O ARG A 9 12.960 24.975 -18.356 1.00 46.57 O ATOM 60 CB ARG A 9 14.194 23.748 -15.705 1.00 46.96 C ATOM 61 CG ARG A 9 14.552 23.955 -14.216 1.00 48.99 C ATOM 62 CD ARG A 9 14.773 25.440 -13.843 1.00 51.85 C ATOM 63 NE ARG A 9 15.342 26.221 -14.948 1.00 55.18 N ATOM 64 CZ ARG A 9 16.640 26.332 -15.230 1.00 56.32 C ATOM 65 NH1 ARG A 9 17.556 25.719 -14.487 1.00 56.40 N ATOM 66 NH2 ARG A 9 17.025 27.067 -16.268 1.00 57.09 N ATOM 67 N ASN A 10 11.972 22.973 -18.022 1.00 47.38 N ATOM 68 CA ASN A 10 11.628 22.733 -19.418 1.00 48.13 C ATOM 69 C ASN A 10 10.254 22.085 -19.508 1.00 48.48 C ATOM 70 O ASN A 10 9.933 21.162 -18.753 1.00 48.65 O ATOM 71 CB ASN A 10 12.682 21.855 -20.106 1.00 48.19 C ATOM 72 CG ASN A 10 14.024 22.552 -20.248 1.00 48.59 C ATOM 73 OD1 ASN A 10 14.295 23.239 -21.242 1.00 48.26 O ATOM 74 ND2 ASN A 10 14.875 22.382 -19.246 1.00 49.70 N ATOM 75 N LYS A 11 9.440 22.582 -20.430 1.00 49.36 N ATOM 76 CA LYS A 11 8.073 22.102 -20.595 1.00 50.34 C ATOM 77 C LYS A 11 7.640 22.145 -22.056 1.00 50.91 C ATOM 78 O LYS A 11 7.854 23.140 -22.761 1.00 50.85 O ATOM 79 CB LYS A 11 7.096 22.911 -19.718 1.00 50.40 C ATOM 80 CG LYS A 11 5.643 22.427 -19.743 1.00 50.69 C ATOM 81 CD LYS A 11 5.468 21.094 -19.024 1.00 51.86 C ATOM 82 CE LYS A 11 4.053 20.542 -19.188 1.00 53.00 C ATOM 83 NZ LYS A 11 3.040 21.437 -18.570 1.00 53.14 N ATOM 84 N VAL A 12 7.037 21.041 -22.492 1.00 51.91 N ATOM 85 CA VAL A 12 6.415 20.942 -23.800 1.00 52.40 C ATOM 86 C VAL A 12 4.936 20.678 -23.561 1.00 52.76 C ATOM 87 O VAL A 12 4.559 19.685 -22.930 1.00 53.37 O ATOM 88 CB VAL A 12 7.031 19.801 -24.648 1.00 52.60 C ATOM 89 CG1 VAL A 12 6.283 19.655 -25.977 1.00 52.68 C ATOM 90 CG2 VAL A 12 8.530 20.048 -24.879 1.00 52.21 C ATOM 91 N ALA A 13 4.105 21.589 -24.038 1.00 52.81 N ATOM 92 CA ALA A 13 2.676 21.472 -23.840 1.00 53.26 C ATOM 93 C ALA A 13 1.968 21.408 -25.181 1.00 53.62 C ATOM 94 O ALA A 13 2.471 21.919 -26.185 1.00 53.80 O ATOM 95 CB ALA A 13 2.157 22.645 -23.029 1.00 53.00 C ATOM 96 N VAL A 14 0.795 20.784 -25.182 1.00 53.88 N ATOM 97 CA VAL A 14 -0.081 20.787 -26.348 1.00 54.06 C ATOM 98 C VAL A 14 -1.038 21.969 -26.206 1.00 53.90 C ATOM 99 O VAL A 14 -1.378 22.363 -25.085 1.00 54.04 O ATOM 100 CB VAL A 14 -0.843 19.442 -26.496 1.00 54.01 C ATOM 101 CG1 VAL A 14 0.150 18.273 -26.504 1.00 54.55 C ATOM 102 CG2 VAL A 14 -1.868 19.249 -25.380 1.00 54.30 C ATOM 103 N THR A 15 -1.442 22.551 -27.332 1.00 53.83 N ATOM 104 CA THR A 15 -2.398 23.655 -27.323 1.00 53.37 C ATOM 105 C THR A 15 -3.641 23.273 -26.517 1.00 53.20 C ATOM 106 O THR A 15 -4.155 22.158 -26.645 1.00 53.49 O ATOM 107 CB THR A 15 -2.758 24.079 -28.758 1.00 53.58 C ATOM 108 OG1 THR A 15 -1.575 24.560 -29.409 1.00 53.39 O ATOM 109 CG2 THR A 15 -3.820 25.180 -28.770 1.00 53.50 C ATOM 110 N GLY A 16 -4.086 24.182 -25.650 1.00 52.69 N ATOM 111 CA GLY A 16 -5.278 23.957 -24.828 1.00 51.88 C ATOM 112 C GLY A 16 -5.009 23.296 -23.487 1.00 51.44 C ATOM 113 O GLY A 16 -5.913 23.180 -22.660 1.00 51.43 O ATOM 114 N GLU A 17 -3.771 22.849 -23.280 1.00 51.06 N ATOM 115 CA GLU A 17 -3.329 22.279 -22.004 1.00 50.86 C ATOM 116 C GLU A 17 -3.206 23.372 -20.927 1.00 50.11 C ATOM 117 O GLU A 17 -2.881 24.527 -21.224 1.00 50.11 O ATOM 118 CB GLU A 17 -1.982 21.565 -22.190 1.00 51.22 C ATOM 119 CG GLU A 17 -1.549 20.635 -21.062 1.00 53.33 C ATOM 120 CD GLU A 17 -0.144 20.046 -21.285 1.00 56.49 C ATOM 121 OE1 GLU A 17 0.262 19.834 -22.458 1.00 57.42 O ATOM 122 OE2 GLU A 17 0.557 19.784 -20.280 1.00 57.16 O ATOM 123 N LYS A 18 -3.496 22.992 -19.685 1.00 49.01 N ATOM 124 CA LYS A 18 -3.283 23.856 -18.528 1.00 47.75 C ATOM 125 C LYS A 18 -1.857 23.658 -18.064 1.00 46.46 C ATOM 126 O LYS A 18 -1.452 22.527 -17.782 1.00 47.01 O ATOM 127 CB LYS A 18 -4.245 23.510 -17.396 1.00 47.83 C ATOM 128 CG LYS A 18 -4.185 24.482 -16.243 1.00 48.87 C ATOM 129 CD LYS A 18 -5.035 24.021 -15.090 1.00 50.99 C ATOM 130 CE LYS A 18 -4.775 24.871 -13.863 1.00 51.97 C ATOM 131 NZ LYS A 18 -5.974 24.903 -12.989 1.00 54.06 N ATOM 132 N VAL A 19 -1.099 24.756 -18.018 1.00 44.34 N ATOM 133 CA VAL A 19 0.305 24.740 -17.614 1.00 42.33 C ATOM 134 C VAL A 19 0.464 25.642 -16.395 1.00 40.96 C ATOM 135 O VAL A 19 -0.034 26.765 -16.373 1.00 40.23 O ATOM 136 CB VAL A 19 1.239 25.232 -18.763 1.00 42.38 C ATOM 137 CG1 VAL A 19 2.712 25.174 -18.345 1.00 42.16 C ATOM 138 CG2 VAL A 19 1.026 24.401 -20.017 1.00 41.99 C ATOM 139 N THR A 20 1.136 25.127 -15.378 1.00 39.52 N ATOM 140 CA THR A 20 1.447 25.910 -14.198 1.00 38.62 C ATOM 141 C THR A 20 2.951 25.974 -14.009 1.00 37.78 C ATOM 142 O THR A 20 3.628 24.936 -13.995 1.00 37.91 O ATOM 143 CB THR A 20 0.797 25.319 -12.954 1.00 38.60 C ATOM 144 OG1 THR A 20 -0.624 25.382 -13.099 1.00 38.95 O ATOM 145 CG2 THR A 20 1.209 26.110 -11.713 1.00 39.52 C ATOM 146 N LEU A 21 3.471 27.192 -13.878 1.00 36.13 N ATOM 147 CA LEU A 21 4.871 27.402 -13.548 1.00 35.01 C ATOM 148 C LEU A 21 4.972 27.819 -12.079 1.00 35.19 C ATOM 149 O LEU A 21 4.266 28.733 -11.648 1.00 33.63 O ATOM 150 CB LEU A 21 5.461 28.478 -14.450 1.00 35.18 C ATOM 151 CG LEU A 21 5.297 28.278 -15.964 1.00 33.37 C ATOM 152 CD1 LEU A 21 6.209 29.238 -16.682 1.00 34.62 C ATOM 153 CD2 LEU A 21 5.601 26.830 -16.361 1.00 34.74 C ATOM 154 N SER A 22 5.825 27.128 -11.323 1.00 35.11 N ATOM 155 CA SER A 22 6.053 27.442 -9.906 1.00 35.37 C ATOM 156 C SER A 22 7.339 28.196 -9.717 1.00 34.36 C ATOM 157 O SER A 22 8.351 27.912 -10.369 1.00 33.71 O ATOM 158 CB SER A 22 6.099 26.175 -9.048 1.00 36.05 C ATOM 159 OG SER A 22 4.848 25.502 -9.126 1.00 41.12 O ATOM 160 N CYS A 23 7.295 29.164 -8.811 1.00 32.90 N ATOM 161 CA CYS A 23 8.464 29.887 -8.433 1.00 32.64 C ATOM 162 C CYS A 23 8.543 29.886 -6.921 1.00 32.80 C ATOM 163 O CYS A 23 7.588 30.272 -6.254 1.00 32.22 O ATOM 164 CB CYS A 23 8.365 31.302 -8.935 1.00 32.04 C ATOM 165 SG CYS A 23 9.666 32.321 -8.305 1.00 34.29 S ATOM 166 N GLN A 24 9.685 29.455 -6.395 1.00 33.24 N ATOM 167 CA GLN A 24 9.896 29.344 -4.964 1.00 33.78 C ATOM 168 C GLN A 24 11.121 30.167 -4.572 1.00 33.25 C ATOM 169 O GLN A 24 12.235 29.923 -5.047 1.00 33.01 O ATOM 170 CB GLN A 24 10.079 27.878 -4.585 1.00 34.97 C ATOM 171 CG GLN A 24 9.710 27.574 -3.166 1.00 39.82 C ATOM 172 CD GLN A 24 10.171 26.201 -2.732 1.00 45.72 C ATOM 173 OE1 GLN A 24 9.642 25.177 -3.185 1.00 47.77 O ATOM 174 NE2 GLN A 24 11.173 26.168 -1.852 1.00 47.11 N ATOM 175 N GLN A 25 10.918 31.165 -3.728 1.00 31.99 N ATOM 176 CA GLN A 25 12.028 31.953 -3.247 1.00 31.43 C ATOM 177 C GLN A 25 12.403 31.442 -1.849 1.00 32.55 C ATOM 178 O GLN A 25 11.649 30.662 -1.234 1.00 33.06 O ATOM 179 CB GLN A 25 11.728 33.456 -3.258 1.00 31.64 C ATOM 180 CG GLN A 25 10.503 33.827 -2.407 1.00 27.90 C ATOM 181 CD GLN A 25 10.487 35.260 -1.934 1.00 25.52 C ATOM 182 OE1 GLN A 25 11.521 35.899 -1.785 1.00 23.62 O ATOM 183 NE2 GLN A 25 9.284 35.792 -1.721 1.00 23.72 N ATOM 184 N THR A 26 13.589 31.818 -1.389 1.00 32.53 N ATOM 185 CA THR A 26 14.031 31.398 -0.049 1.00 33.10 C ATOM 186 C THR A 26 14.266 32.601 0.854 1.00 31.89 C ATOM 187 O THR A 26 14.505 32.448 2.058 1.00 32.44 O ATOM 188 CB THR A 26 15.301 30.504 -0.112 1.00 32.94 C ATOM 189 OG1 THR A 26 16.343 31.234 -0.762 1.00 34.78 O ATOM 190 CG2 THR A 26 15.024 29.214 -0.869 1.00 35.39 C ATOM 191 N ASN A 27 14.170 33.798 0.284 1.00 30.79 N ATOM 192 CA ASN A 27 14.469 35.024 1.021 1.00 29.50 C ATOM 193 C ASN A 27 13.233 35.705 1.611 1.00 26.70 C ATOM 194 O ASN A 27 13.339 36.720 2.301 1.00 25.19 O ATOM 195 CB ASN A 27 15.246 36.003 0.144 1.00 31.06 C ATOM 196 CG ASN A 27 16.640 35.482 -0.219 1.00 35.90 C ATOM 197 OD1 ASN A 27 16.988 35.390 -1.402 1.00 39.61 O ATOM 198 ND2 ASN A 27 17.437 35.122 0.798 1.00 39.14 N ATOM 199 N ASN A 28 12.066 35.136 1.316 1.00 25.10 N ATOM 200 CA ASN A 28 10.797 35.609 1.876 1.00 23.87 C ATOM 201 C ASN A 28 10.540 37.110 1.652 1.00 23.20 C ATOM 202 O ASN A 28 9.987 37.805 2.504 1.00 21.53 O ATOM 203 CB ASN A 28 10.671 35.211 3.353 1.00 24.54 C ATOM 204 CG ASN A 28 10.344 33.727 3.539 1.00 26.92 C ATOM 205 OD1 ASN A 28 9.332 33.230 3.006 1.00 31.24 O ATOM 206 ND2 ASN A 28 11.178 33.014 4.287 1.00 25.32 N ATOM 207 N HIS A 29 10.910 37.589 0.459 1.00 22.70 N ATOM 208 CA HIS A 29 10.615 38.941 0.063 1.00 23.58 C ATOM 209 C HIS A 29 9.127 39.138 -0.137 1.00 22.68 C ATOM 210 O HIS A 29 8.426 38.219 -0.550 1.00 22.25 O ATOM 211 CB HIS A 29 11.268 39.232 -1.277 1.00 25.13 C ATOM 212 CG HIS A 29 12.757 39.165 -1.253 1.00 28.84 C ATOM 213 ND1 HIS A 29 13.518 39.884 -0.360 1.00 30.95 N ATOM 214 CD2 HIS A 29 13.629 38.519 -2.064 1.00 33.87 C ATOM 215 CE1 HIS A 29 14.795 39.651 -0.591 1.00 31.45 C ATOM 216 NE2 HIS A 29 14.891 38.829 -1.622 1.00 36.72 N ATOM 217 N ASN A 30 8.666 40.353 0.117 1.00 22.32 N ATOM 218 CA ASN A 30 7.251 40.641 -0.062 1.00 22.42 C ATOM 219 C ASN A 30 6.895 40.590 -1.522 1.00 21.38 C ATOM 220 O ASN A 30 5.787 40.180 -1.849 1.00 21.44 O ATOM 221 CB ASN A 30 6.913 42.024 0.431 1.00 23.55 C ATOM 222 CG ASN A 30 6.675 42.051 1.912 1.00 26.95 C ATOM 223 OD1 ASN A 30 6.376 41.017 2.526 1.00 30.11 O ATOM 224 ND2 ASN A 30 6.718 43.231 2.473 1.00 30.10 N ATOM 225 N ASN A 31 7.824 41.015 -2.390 1.00 20.13 N ATOM 226 CA ASN A 31 7.448 41.176 -3.834 1.00 19.47 C ATOM 227 C ASN A 31 7.928 40.049 -4.723 1.00 18.33 C ATOM 228 O ASN A 31 9.102 39.635 -4.647 1.00 18.20 O ATOM 229 CB ASN A 31 7.958 42.500 -4.402 1.00 19.86 C ATOM 230 CG ASN A 31 7.460 43.726 -3.646 1.00 21.47 C ATOM 231 OD1 ASN A 31 6.383 43.726 -3.044 1.00 21.64 O ATOM 232 ND2 ASN A 31 8.240 44.791 -3.700 1.00 25.53 N ATOM 233 N MET A 32 7.043 39.525 -5.574 1.00 17.27 N ATOM 234 CA MET A 32 7.463 38.517 -6.540 1.00 17.61 C ATOM 235 C MET A 32 6.903 38.873 -7.914 1.00 18.93 C ATOM 236 O MET A 32 5.912 39.592 -8.002 1.00 18.71 O ATOM 237 CB MET A 32 7.010 37.112 -6.116 1.00 17.95 C ATOM 238 CG MET A 32 7.667 36.619 -4.803 1.00 20.67 C ATOM 239 SD MET A 32 7.225 34.928 -4.418 1.00 22.78 S ATOM 240 CE MET A 32 8.271 34.081 -5.601 1.00 25.85 C ATOM 241 N TYR A 33 7.538 38.366 -8.969 1.00 18.88 N ATOM 242 CA TYR A 33 7.254 38.844 -10.336 1.00 19.44 C ATOM 243 C TYR A 33 7.378 37.705 -11.310 1.00 20.28 C ATOM 244 O TYR A 33 8.251 36.844 -11.160 1.00 20.07 O ATOM 245 CB TYR A 33 8.302 39.854 -10.766 1.00 19.97 C ATOM 246 CG TYR A 33 8.499 41.065 -9.912 1.00 19.03 C ATOM 247 CD1 TYR A 33 9.365 41.034 -8.805 1.00 16.70 C ATOM 248 CD2 TYR A 33 7.863 42.255 -10.218 1.00 18.65 C ATOM 249 CE1 TYR A 33 9.550 42.178 -8.015 1.00 19.91 C ATOM 250 CE2 TYR A 33 8.069 43.403 -9.461 1.00 21.28 C ATOM 251 CZ TYR A 33 8.907 43.330 -8.338 1.00 21.12 C ATOM 252 OH TYR A 33 9.121 44.435 -7.572 1.00 22.79 O ATOM 253 N TRP A 34 6.511 37.687 -12.326 1.00 21.04 N ATOM 254 CA TRP A 34 6.659 36.715 -13.418 1.00 22.01 C ATOM 255 C TRP A 34 6.849 37.482 -14.721 1.00 22.16 C ATOM 256 O TRP A 34 6.058 38.360 -15.051 1.00 20.59 O ATOM 257 CB TRP A 34 5.451 35.778 -13.517 1.00 22.24 C ATOM 258 CG TRP A 34 5.623 34.482 -12.815 1.00 21.92 C ATOM 259 CD1 TRP A 34 4.963 34.073 -11.685 1.00 23.18 C ATOM 260 CD2 TRP A 34 6.495 33.406 -13.183 1.00 23.39 C ATOM 261 NE1 TRP A 34 5.370 32.807 -11.330 1.00 21.93 N ATOM 262 CE2 TRP A 34 6.311 32.373 -12.231 1.00 22.92 C ATOM 263 CE3 TRP A 34 7.427 33.215 -14.230 1.00 23.64 C ATOM 264 CZ2 TRP A 34 7.017 31.164 -12.288 1.00 24.68 C ATOM 265 CZ3 TRP A 34 8.140 32.003 -14.277 1.00 24.52 C ATOM 266 CH2 TRP A 34 7.929 31.001 -13.315 1.00 24.38 C ATOM 267 N TYR A 35 7.943 37.162 -15.418 1.00 23.97 N ATOM 268 CA TYR A 35 8.295 37.808 -16.691 1.00 24.41 C ATOM 269 C TYR A 35 8.350 36.772 -17.805 1.00 26.21 C ATOM 270 O TYR A 35 8.523 35.569 -17.559 1.00 25.53 O ATOM 271 CB TYR A 35 9.676 38.486 -16.609 1.00 23.82 C ATOM 272 CG TYR A 35 9.730 39.675 -15.695 1.00 23.80 C ATOM 273 CD1 TYR A 35 10.159 39.535 -14.362 1.00 21.32 C ATOM 274 CD2 TYR A 35 9.387 40.942 -16.152 1.00 21.25 C ATOM 275 CE1 TYR A 35 10.217 40.641 -13.509 1.00 20.91 C ATOM 276 CE2 TYR A 35 9.453 42.048 -15.322 1.00 21.84 C ATOM 277 CZ TYR A 35 9.848 41.872 -13.970 1.00 18.04 C ATOM 278 OH TYR A 35 9.874 42.993 -13.154 1.00 22.61 O ATOM 279 N ARG A 36 8.171 37.249 -19.030 1.00 27.93 N ATOM 280 CA ARG A 36 8.554 36.445 -20.189 1.00 31.01 C ATOM 281 C ARG A 36 9.527 37.253 -21.056 1.00 31.56 C ATOM 282 O ARG A 36 9.418 38.464 -21.172 1.00 29.88 O ATOM 283 CB ARG A 36 7.335 35.968 -20.977 1.00 31.19 C ATOM 284 CG ARG A 36 6.552 37.066 -21.617 1.00 35.57 C ATOM 285 CD ARG A 36 5.380 36.494 -22.418 1.00 42.22 C ATOM 286 NE ARG A 36 5.826 35.784 -23.611 1.00 46.18 N ATOM 287 CZ ARG A 36 5.010 35.210 -24.496 1.00 49.93 C ATOM 288 NH1 ARG A 36 3.686 35.255 -24.332 1.00 49.59 N ATOM 289 NH2 ARG A 36 5.521 34.585 -25.559 1.00 51.56 N ATOM 290 N GLN A 37 10.493 36.562 -21.642 1.00 34.32 N ATOM 291 CA GLN A 37 11.513 37.237 -22.416 1.00 37.41 C ATOM 292 C GLN A 37 11.097 37.362 -23.872 1.00 39.31 C ATOM 293 O GLN A 37 10.768 36.359 -24.510 1.00 39.99 O ATOM 294 CB GLN A 37 12.805 36.460 -22.337 1.00 37.74 C ATOM 295 CG GLN A 37 14.027 37.252 -22.779 1.00 40.39 C ATOM 296 CD GLN A 37 15.272 36.598 -22.267 1.00 42.94 C ATOM 297 OE1 GLN A 37 15.500 35.404 -22.519 1.00 45.30 O ATOM 298 NE2 GLN A 37 16.066 37.342 -21.504 1.00 42.98 N ATOM 299 N ASP A 38 11.094 38.598 -24.368 1.00 41.08 N ATOM 300 CA ASP A 38 10.990 38.873 -25.790 1.00 43.10 C ATOM 301 C ASP A 38 12.306 38.431 -26.415 1.00 43.12 C ATOM 302 O ASP A 38 13.360 38.988 -26.089 1.00 43.12 O ATOM 303 CB ASP A 38 10.831 40.380 -26.024 1.00 44.18 C ATOM 304 CG ASP A 38 9.392 40.809 -26.191 1.00 47.94 C ATOM 305 OD1 ASP A 38 8.470 40.066 -25.758 1.00 50.31 O ATOM 306 OD2 ASP A 38 9.197 41.913 -26.759 1.00 51.82 O ATOM 307 N THR A 39 12.254 37.428 -27.286 1.00 43.25 N ATOM 308 CA THR A 39 13.476 36.881 -27.899 1.00 43.60 C ATOM 309 C THR A 39 14.426 37.989 -28.430 1.00 42.27 C ATOM 310 O THR A 39 14.034 38.806 -29.273 1.00 42.61 O ATOM 311 CB THR A 39 13.146 35.828 -28.992 1.00 44.40 C ATOM 312 OG1 THR A 39 12.608 36.477 -30.159 1.00 45.47 O ATOM 313 CG2 THR A 39 12.117 34.806 -28.453 1.00 44.23 C ATOM 314 N GLY A 40 15.648 38.027 -27.882 1.00 40.65 N ATOM 315 CA GLY A 40 16.667 39.045 -28.220 1.00 38.87 C ATOM 316 C GLY A 40 16.346 40.471 -27.793 1.00 37.97 C ATOM 317 O GLY A 40 16.982 41.451 -28.215 1.00 36.01 O ATOM 318 N HIS A 41 15.338 40.588 -26.944 1.00 37.55 N ATOM 319 CA HIS A 41 14.931 41.880 -26.440 1.00 38.35 C ATOM 320 C HIS A 41 14.851 41.820 -24.922 1.00 37.27 C ATOM 321 O HIS A 41 15.688 41.167 -24.272 1.00 37.55 O ATOM 322 CB HIS A 41 13.623 42.308 -27.099 1.00 39.27 C ATOM 323 CG HIS A 41 13.743 42.442 -28.585 1.00 42.99 C ATOM 324 ND1 HIS A 41 13.581 41.374 -29.443 1.00 46.47 N ATOM 325 CD2 HIS A 41 14.090 43.500 -29.360 1.00 46.97 C ATOM 326 CE1 HIS A 41 13.785 41.778 -30.685 1.00 47.44 C ATOM 327 NE2 HIS A 41 14.103 43.062 -30.662 1.00 46.94 N ATOM 328 N GLY A 42 13.866 42.506 -24.369 1.00 36.02 N ATOM 329 CA GLY A 42 13.768 42.621 -22.933 1.00 34.47 C ATOM 330 C GLY A 42 12.774 41.678 -22.272 1.00 33.47 C ATOM 331 O GLY A 42 12.129 40.828 -22.919 1.00 32.85 O ATOM 332 N LEU A 43 12.691 41.825 -20.957 1.00 32.02 N ATOM 333 CA LEU A 43 11.701 41.115 -20.148 1.00 31.46 C ATOM 334 C LEU A 43 10.411 41.909 -20.132 1.00 30.68 C ATOM 335 O LEU A 43 10.441 43.131 -19.964 1.00 32.16 O ATOM 336 CB LEU A 43 12.215 40.935 -18.713 1.00 30.85 C ATOM 337 CG LEU A 43 13.405 40.013 -18.487 1.00 32.02 C ATOM 338 CD1 LEU A 43 13.812 39.987 -17.013 1.00 32.26 C ATOM 339 CD2 LEU A 43 13.118 38.599 -19.006 1.00 29.75 C ATOM 340 N ARG A 44 9.289 41.204 -20.293 1.00 29.23 N ATOM 341 CA ARG A 44 7.955 41.790 -20.246 1.00 28.06 C ATOM 342 C ARG A 44 7.207 41.244 -19.014 1.00 25.28 C ATOM 343 O ARG A 44 7.128 40.049 -18.841 1.00 24.58 O ATOM 344 CB ARG A 44 7.173 41.402 -21.501 1.00 29.01 C ATOM 345 CG ARG A 44 7.797 41.863 -22.837 1.00 34.97 C ATOM 346 CD ARG A 44 7.113 43.124 -23.368 1.00 40.54 C ATOM 347 NE ARG A 44 7.264 44.242 -22.437 1.00 45.21 N ATOM 348 CZ ARG A 44 6.428 45.275 -22.357 1.00 47.63 C ATOM 349 NH1 ARG A 44 5.358 45.348 -23.152 1.00 49.19 N ATOM 350 NH2 ARG A 44 6.654 46.234 -21.464 1.00 49.78 N ATOM 351 N LEU A 45 6.710 42.136 -18.170 1.00 24.48 N ATOM 352 CA LEU A 45 5.985 41.721 -16.944 1.00 23.29 C ATOM 353 C LEU A 45 4.583 41.164 -17.191 1.00 22.86 C ATOM 354 O LEU A 45 3.755 41.828 -17.807 1.00 24.39 O ATOM 355 CB LEU A 45 5.888 42.896 -15.975 1.00 22.85 C ATOM 356 CG LEU A 45 5.358 42.540 -14.577 1.00 22.10 C ATOM 357 CD1 LEU A 45 6.219 41.514 -13.837 1.00 19.54 C ATOM 358 CD2 LEU A 45 5.266 43.839 -13.792 1.00 22.77 C ATOM 359 N ILE A 46 4.302 39.967 -16.676 1.00 22.31 N ATOM 360 CA ILE A 46 3.008 39.325 -16.872 1.00 21.70 C ATOM 361 C ILE A 46 2.081 39.629 -15.679 1.00 21.62 C ATOM 362 O ILE A 46 1.053 40.262 -15.842 1.00 21.23 O ATOM 363 CB ILE A 46 3.139 37.827 -17.041 1.00 21.13 C ATOM 364 CG1 ILE A 46 4.090 37.504 -18.207 1.00 22.71 C ATOM 365 CG2 ILE A 46 1.748 37.217 -17.272 1.00 22.55 C ATOM 366 CD1 ILE A 46 4.417 36.040 -18.340 1.00 24.45 C ATOM 367 N HIS A 47 2.500 39.209 -14.481 1.00 21.08 N ATOM 368 CA HIS A 47 1.775 39.515 -13.239 1.00 20.16 C ATOM 369 C HIS A 47 2.833 39.667 -12.166 1.00 19.80 C ATOM 370 O HIS A 47 3.897 39.031 -12.235 1.00 19.34 O ATOM 371 CB HIS A 47 0.888 38.334 -12.803 1.00 19.60 C ATOM 372 CG HIS A 47 -0.354 38.149 -13.629 1.00 21.27 C ATOM 373 ND1 HIS A 47 -1.417 39.026 -13.596 1.00 20.81 N ATOM 374 CD2 HIS A 47 -0.697 37.170 -14.503 1.00 23.38 C ATOM 375 CE1 HIS A 47 -2.342 38.621 -14.453 1.00 20.61 C ATOM 376 NE2 HIS A 47 -1.936 37.488 -14.998 1.00 24.00 N ATOM 377 N TYR A 48 2.509 40.415 -11.118 1.00 19.10 N ATOM 378 CA TYR A 48 3.420 40.501 -9.966 1.00 18.26 C ATOM 379 C TYR A 48 2.595 40.397 -8.673 1.00 18.07 C ATOM 380 O TYR A 48 1.376 40.283 -8.730 1.00 17.53 O ATOM 381 CB TYR A 48 4.288 41.775 -10.019 1.00 19.26 C ATOM 382 CG TYR A 48 3.538 43.093 -10.055 1.00 21.94 C ATOM 383 CD1 TYR A 48 2.823 43.479 -11.200 1.00 23.10 C ATOM 384 CD2 TYR A 48 3.545 43.965 -8.957 1.00 25.75 C ATOM 385 CE1 TYR A 48 2.151 44.688 -11.252 1.00 24.05 C ATOM 386 CE2 TYR A 48 2.850 45.176 -8.999 1.00 27.75 C ATOM 387 CZ TYR A 48 2.159 45.520 -10.167 1.00 26.31 C ATOM 388 OH TYR A 48 1.471 46.687 -10.245 1.00 28.36 O ATOM 389 N SER A 49 3.257 40.407 -7.523 1.00 17.93 N ATOM 390 CA SER A 49 2.531 40.285 -6.261 1.00 18.00 C ATOM 391 C SER A 49 3.222 41.120 -5.181 1.00 19.45 C ATOM 392 O SER A 49 4.454 41.097 -5.092 1.00 19.27 O ATOM 393 CB SER A 49 2.524 38.817 -5.834 1.00 18.09 C ATOM 394 OG SER A 49 2.094 38.715 -4.476 1.00 18.63 O ATOM 395 N TYR A 50 2.440 41.824 -4.359 1.00 19.45 N ATOM 396 CA TYR A 50 2.986 42.577 -3.210 1.00 21.54 C ATOM 397 C TYR A 50 2.971 41.800 -1.886 1.00 21.29 C ATOM 398 O TYR A 50 3.416 42.344 -0.851 1.00 21.00 O ATOM 399 CB TYR A 50 2.167 43.841 -2.981 1.00 23.67 C ATOM 400 CG TYR A 50 2.431 44.910 -3.983 1.00 26.45 C ATOM 401 CD1 TYR A 50 3.647 45.582 -3.996 1.00 30.64 C ATOM 402 CD2 TYR A 50 1.472 45.253 -4.931 1.00 30.30 C ATOM 403 CE1 TYR A 50 3.906 46.592 -4.922 1.00 34.47 C ATOM 404 CE2 TYR A 50 1.722 46.268 -5.865 1.00 33.92 C ATOM 405 CZ TYR A 50 2.952 46.928 -5.852 1.00 34.43 C ATOM 406 OH TYR A 50 3.230 47.938 -6.754 1.00 34.51 O ATOM 407 N GLY A 51 2.459 40.577 -1.912 1.00 19.64 N ATOM 408 CA GLY A 51 2.366 39.753 -0.705 1.00 21.04 C ATOM 409 C GLY A 51 1.332 38.662 -0.832 1.00 20.73 C ATOM 410 O GLY A 51 0.633 38.544 -1.865 1.00 21.01 O ATOM 411 N VAL A 52 1.199 37.864 0.230 1.00 18.96 N ATOM 412 CA VAL A 52 0.357 36.687 0.198 1.00 19.20 C ATOM 413 C VAL A 52 -1.083 37.133 -0.083 1.00 19.35 C ATOM 414 O VAL A 52 -1.539 38.135 0.475 1.00 19.13 O ATOM 415 CB VAL A 52 0.416 35.893 1.540 1.00 19.45 C ATOM 416 CG1 VAL A 52 -0.531 34.725 1.519 1.00 19.96 C ATOM 417 CG2 VAL A 52 1.885 35.372 1.789 1.00 18.59 C ATOM 418 N GLY A 53 -1.729 36.423 -1.007 1.00 20.22 N ATOM 419 CA GLY A 53 -3.093 36.737 -1.424 1.00 21.27 C ATOM 420 C GLY A 53 -3.261 37.939 -2.334 1.00 22.16 C ATOM 421 O GLY A 53 -4.401 38.402 -2.546 1.00 23.09 O ATOM 422 N ASN A 54 -2.153 38.486 -2.854 1.00 20.87 N ATOM 423 CA ASN A 54 -2.235 39.614 -3.778 1.00 19.57 C ATOM 424 C ASN A 54 -1.564 39.259 -5.108 1.00 19.52 C ATOM 425 O ASN A 54 -0.480 38.665 -5.103 1.00 18.32 O ATOM 426 CB ASN A 54 -1.567 40.867 -3.187 1.00 20.34 C ATOM 427 CG ASN A 54 -1.385 41.987 -4.220 1.00 22.10 C ATOM 428 OD1 ASN A 54 -0.343 42.075 -4.893 1.00 21.06 O ATOM 429 ND2 ASN A 54 -2.407 42.824 -4.376 1.00 21.75 N ATOM 430 N THR A 55 -2.229 39.589 -6.216 1.00 19.51 N ATOM 431 CA THR A 55 -1.582 39.600 -7.545 1.00 20.36 C ATOM 432 C THR A 55 -2.022 40.860 -8.287 1.00 20.69 C ATOM 433 O THR A 55 -3.108 41.438 -8.019 1.00 19.02 O ATOM 434 CB THR A 55 -1.829 38.332 -8.413 1.00 21.12 C ATOM 435 OG1 THR A 55 -3.154 38.353 -8.979 1.00 21.65 O ATOM 436 CG2 THR A 55 -1.611 37.031 -7.628 1.00 22.34 C ATOM 437 N GLU A 56 -1.149 41.332 -9.186 1.00 19.59 N ATOM 438 CA GLU A 56 -1.451 42.534 -9.950 1.00 19.20 C ATOM 439 C GLU A 56 -1.052 42.279 -11.398 1.00 19.53 C ATOM 440 O GLU A 56 -0.156 41.473 -11.661 1.00 19.54 O ATOM 441 CB GLU A 56 -0.711 43.749 -9.407 1.00 20.21 C ATOM 442 CG GLU A 56 -1.013 44.157 -7.969 1.00 21.65 C ATOM 443 CD GLU A 56 -2.455 44.624 -7.707 1.00 25.40 C ATOM 444 OE1 GLU A 56 -2.785 44.771 -6.503 1.00 25.37 O ATOM 445 OE2 GLU A 56 -3.249 44.865 -8.662 1.00 25.05 O ATOM 446 N LYS A 57 -1.771 42.907 -12.329 1.00 20.43 N ATOM 447 CA LYS A 57 -1.493 42.751 -13.748 1.00 21.36 C ATOM 448 C LYS A 57 -0.245 43.528 -14.163 1.00 21.39 C ATOM 449 O LYS A 57 -0.070 44.672 -13.788 1.00 22.01 O ATOM 450 CB LYS A 57 -2.693 43.262 -14.548 1.00 22.00 C ATOM 451 CG LYS A 57 -3.866 42.302 -14.486 1.00 23.63 C ATOM 452 CD LYS A 57 -5.064 42.832 -15.286 1.00 28.91 C ATOM 453 CE LYS A 57 -5.758 43.930 -14.528 1.00 30.56 C ATOM 454 NZ LYS A 57 -7.104 44.244 -15.100 1.00 33.41 N ATOM 455 N GLY A 58 0.618 42.894 -14.948 1.00 23.74 N ATOM 456 CA GLY A 58 1.766 43.607 -15.493 1.00 25.19 C ATOM 457 C GLY A 58 1.391 44.168 -16.854 1.00 27.55 C ATOM 458 O GLY A 58 0.232 44.510 -17.097 1.00 27.26 O ATOM 459 N ASP A 59 2.382 44.259 -17.736 1.00 28.80 N ATOM 460 CA ASP A 59 2.149 44.792 -19.074 1.00 30.02 C ATOM 461 C ASP A 59 1.462 43.837 -20.018 1.00 29.70 C ATOM 462 O ASP A 59 0.730 44.279 -20.914 1.00 30.49 O ATOM 463 CB ASP A 59 3.453 45.313 -19.656 1.00 31.42 C ATOM 464 CG ASP A 59 4.022 46.414 -18.822 1.00 34.60 C ATOM 465 OD1 ASP A 59 3.344 47.460 -18.650 1.00 41.80 O ATOM 466 OD2 ASP A 59 5.122 46.219 -18.284 1.00 38.86 O ATOM 467 N ILE A 60 1.667 42.537 -19.847 1.00 28.77 N ATOM 468 CA ILE A 60 1.008 41.574 -20.743 1.00 29.15 C ATOM 469 C ILE A 60 0.248 40.441 -20.029 1.00 27.50 C ATOM 470 O ILE A 60 0.572 39.279 -20.184 1.00 26.98 O ATOM 471 CB ILE A 60 1.958 41.060 -21.904 1.00 29.28 C ATOM 472 CG1 ILE A 60 2.872 39.902 -21.466 1.00 32.17 C ATOM 473 CG2 ILE A 60 2.702 42.234 -22.596 1.00 30.81 C ATOM 474 CD1 ILE A 60 4.117 40.285 -20.824 1.00 33.75 C ATOM 475 N PRO A 61 -0.784 40.789 -19.230 1.00 27.64 N ATOM 476 CA PRO A 61 -1.463 39.763 -18.432 1.00 28.17 C ATOM 477 C PRO A 61 -2.340 38.761 -19.206 1.00 29.56 C ATOM 478 O PRO A 61 -2.576 37.651 -18.726 1.00 28.44 O ATOM 479 CB PRO A 61 -2.326 40.588 -17.469 1.00 28.07 C ATOM 480 CG PRO A 61 -2.559 41.878 -18.142 1.00 27.97 C ATOM 481 CD PRO A 61 -1.328 42.136 -18.990 1.00 27.37 C ATOM 482 N ASP A 62 -2.809 39.127 -20.401 1.00 30.90 N ATOM 483 CA ASP A 62 -3.807 38.280 -21.087 1.00 33.36 C ATOM 484 C ASP A 62 -3.314 36.867 -21.370 1.00 33.22 C ATOM 485 O ASP A 62 -2.201 36.669 -21.866 1.00 34.20 O ATOM 486 CB ASP A 62 -4.273 38.922 -22.397 1.00 34.44 C ATOM 487 CG ASP A 62 -4.849 40.317 -22.205 1.00 39.07 C ATOM 488 OD1 ASP A 62 -5.023 41.002 -23.238 1.00 44.63 O ATOM 489 OD2 ASP A 62 -5.132 40.740 -21.049 1.00 43.21 O ATOM 490 N GLY A 63 -4.014 35.957 -21.188 1.00 33.07 N ATOM 491 CA GLY A 63 -3.799 34.518 -21.300 1.00 33.55 C ATOM 492 C GLY A 63 -3.278 33.992 -19.956 1.00 34.05 C ATOM 493 O GLY A 63 -2.970 32.789 -19.795 1.00 33.49 O ATOM 494 N TYR A 65 -2.957 34.744 -18.801 1.00 25.82 N ATOM 495 CA TYR A 65 -2.255 34.144 -17.713 1.00 25.62 C ATOM 496 C TYR A 65 -3.031 34.538 -16.481 1.00 24.93 C ATOM 497 O TYR A 65 -3.572 35.630 -16.428 1.00 26.05 O ATOM 498 CB TYR A 65 -0.876 34.775 -17.587 1.00 26.26 C ATOM 499 CG TYR A 65 0.052 34.558 -18.757 1.00 26.78 C ATOM 500 CD1 TYR A 65 0.874 33.427 -18.813 1.00 28.61 C ATOM 501 CD2 TYR A 65 0.154 35.510 -19.761 1.00 29.15 C ATOM 502 CE1 TYR A 65 1.755 33.224 -19.877 1.00 29.63 C ATOM 503 CE2 TYR A 65 1.042 35.332 -20.828 1.00 28.43 C ATOM 504 CZ TYR A 65 1.824 34.180 -20.880 1.00 29.56 C ATOM 505 OH TYR A 65 2.699 34.028 -21.942 1.00 30.88 O ATOM 506 N GLU A 66 -3.066 33.646 -15.498 1.00 25.62 N ATOM 507 CA GLU A 66 -3.491 34.018 -14.146 1.00 25.31 C ATOM 508 C GLU A 66 -2.296 33.794 -13.226 1.00 24.66 C ATOM 509 O GLU A 66 -1.230 33.325 -13.673 1.00 24.75 O ATOM 510 CB GLU A 66 -4.691 33.179 -13.698 1.00 26.20 C ATOM 511 CG GLU A 66 -5.875 33.305 -14.679 1.00 29.03 C ATOM 512 CD GLU A 66 -7.101 32.512 -14.258 1.00 36.49 C ATOM 513 OE1 GLU A 66 -8.164 32.691 -14.905 1.00 39.57 O ATOM 514 OE2 GLU A 66 -7.013 31.717 -13.296 1.00 38.81 O ATOM 515 N ALA A 67 -2.448 34.129 -11.947 1.00 23.73 N ATOM 516 CA ALA A 67 -1.323 33.938 -11.012 1.00 22.80 C ATOM 517 C ALA A 67 -1.882 33.713 -9.630 1.00 23.04 C ATOM 518 O ALA A 67 -3.046 34.038 -9.377 1.00 23.70 O ATOM 519 CB ALA A 67 -0.367 35.120 -11.042 1.00 23.21 C ATOM 520 N SER A 68 -1.076 33.117 -8.749 1.00 23.61 N ATOM 521 CA SER A 68 -1.496 32.880 -7.372 1.00 24.12 C ATOM 522 C SER A 68 -0.299 33.046 -6.437 1.00 23.16 C ATOM 523 O SER A 68 0.783 32.565 -6.748 1.00 22.57 O ATOM 524 CB SER A 68 -2.059 31.465 -7.270 1.00 24.74 C ATOM 525 OG SER A 68 -2.414 31.165 -5.931 1.00 28.22 O ATOM 526 N ARG A 69 -0.509 33.733 -5.309 1.00 22.96 N ATOM 527 CA ARG A 69 0.505 33.919 -4.277 1.00 22.58 C ATOM 528 C ARG A 69 -0.067 33.319 -2.974 1.00 23.26 C ATOM 529 O ARG A 69 -0.598 34.050 -2.165 1.00 23.23 O ATOM 530 CB ARG A 69 0.780 35.416 -4.065 1.00 22.16 C ATOM 531 CG ARG A 69 1.924 35.717 -3.085 1.00 21.82 C ATOM 532 CD ARG A 69 3.316 35.456 -3.670 1.00 21.28 C ATOM 533 NE ARG A 69 4.387 35.676 -2.680 1.00 20.84 N ATOM 534 CZ ARG A 69 4.912 36.868 -2.428 1.00 19.60 C ATOM 535 NH1 ARG A 69 5.877 37.002 -1.517 1.00 21.17 N ATOM 536 NH2 ARG A 69 4.459 37.964 -3.064 1.00 21.35 N ATOM 537 N PRO A 70 -0.008 31.993 -2.821 1.00 23.39 N ATOM 538 CA PRO A 70 -0.660 31.333 -1.661 1.00 24.07 C ATOM 539 C PRO A 70 0.172 31.423 -0.370 1.00 24.07 C ATOM 540 O PRO A 70 -0.367 31.208 0.744 1.00 23.88 O ATOM 541 CB PRO A 70 -0.751 29.887 -2.127 1.00 23.75 C ATOM 542 CG PRO A 70 0.494 29.719 -2.963 1.00 24.67 C ATOM 543 CD PRO A 70 0.572 30.995 -3.747 1.00 24.17 C ATOM 544 N SER A 71 1.462 31.741 -0.513 1.00 23.45 N ATOM 545 CA SER A 71 2.379 31.812 0.629 1.00 24.25 C ATOM 546 C SER A 71 3.486 32.793 0.323 1.00 24.12 C ATOM 547 O SER A 71 3.662 33.205 -0.844 1.00 23.58 O ATOM 548 CB SER A 71 2.948 30.425 0.926 1.00 24.38 C ATOM 549 OG SER A 71 3.819 30.001 -0.134 1.00 26.63 O ATOM 550 N GLN A 72 4.263 33.181 1.335 1.00 23.06 N ATOM 551 CA GLN A 72 5.295 34.184 1.095 1.00 22.92 C ATOM 552 C GLN A 72 6.305 33.695 0.051 1.00 23.26 C ATOM 553 O GLN A 72 6.836 34.493 -0.706 1.00 23.40 O ATOM 554 CB GLN A 72 6.044 34.541 2.381 1.00 22.22 C ATOM 555 CG GLN A 72 6.963 35.730 2.268 1.00 21.90 C ATOM 556 CD GLN A 72 6.265 37.091 2.270 1.00 23.13 C ATOM 557 OE1 GLN A 72 5.040 37.201 2.047 1.00 25.80 O ATOM 558 NE2 GLN A 72 7.023 38.130 2.557 1.00 21.12 N ATOM 559 N GLU A 73 6.566 32.398 0.045 1.00 24.16 N ATOM 560 CA GLU A 73 7.663 31.835 -0.748 1.00 25.93 C ATOM 561 C GLU A 73 7.275 31.446 -2.174 1.00 25.87 C ATOM 562 O GLU A 73 8.166 31.273 -3.000 1.00 27.17 O ATOM 563 CB GLU A 73 8.278 30.619 -0.024 1.00 26.78 C ATOM 564 CG GLU A 73 7.315 29.429 0.195 1.00 32.82 C ATOM 565 CD GLU A 73 6.432 29.502 1.483 1.00 40.85 C ATOM 566 OE1 GLU A 73 5.813 28.444 1.812 1.00 45.55 O ATOM 567 OE2 GLU A 73 6.336 30.562 2.171 1.00 39.24 O ATOM 568 N GLN A 74 5.976 31.294 -2.454 1.00 25.90 N ATOM 569 CA GLN A 74 5.507 30.664 -3.692 1.00 25.19 C ATOM 570 C GLN A 74 4.664 31.618 -4.532 1.00 25.19 C ATOM 571 O GLN A 74 3.689 32.206 -4.040 1.00 24.21 O ATOM 572 CB GLN A 74 4.725 29.381 -3.376 1.00 27.02 C ATOM 573 CG GLN A 74 4.037 28.717 -4.586 1.00 30.81 C ATOM 574 CD GLN A 74 5.032 28.235 -5.637 1.00 37.29 C ATOM 575 OE1 GLN A 74 4.832 28.418 -6.852 1.00 38.30 O ATOM 576 NE2 GLN A 74 6.126 27.621 -5.172 1.00 40.83 N ATOM 577 N PHE A 75 5.038 31.763 -5.808 1.00 23.56 N ATOM 578 CA PHE A 75 4.257 32.553 -6.744 1.00 22.74 C ATOM 579 C PHE A 75 4.070 31.732 -8.011 1.00 23.68 C ATOM 580 O PHE A 75 5.037 31.441 -8.694 1.00 24.92 O ATOM 581 CB PHE A 75 4.983 33.876 -7.032 1.00 22.51 C ATOM 582 CG PHE A 75 4.149 34.905 -7.811 1.00 21.55 C ATOM 583 CD1 PHE A 75 2.770 35.025 -7.608 1.00 21.40 C ATOM 584 CD2 PHE A 75 4.774 35.768 -8.713 1.00 20.32 C ATOM 585 CE1 PHE A 75 2.004 35.982 -8.308 1.00 19.03 C ATOM 586 CE2 PHE A 75 4.033 36.748 -9.417 1.00 21.45 C ATOM 587 CZ PHE A 75 2.656 36.857 -9.221 1.00 20.57 C ATOM 588 N SER A 76 2.831 31.332 -8.297 1.00 24.17 N ATOM 589 CA SER A 76 2.544 30.464 -9.450 1.00 26.34 C ATOM 590 C SER A 76 2.011 31.251 -10.634 1.00 25.91 C ATOM 591 O SER A 76 1.254 32.216 -10.475 1.00 25.61 O ATOM 592 CB SER A 76 1.550 29.359 -9.076 1.00 26.15 C ATOM 593 OG SER A 76 2.064 28.564 -8.029 1.00 32.80 O ATOM 594 N LEU A 77 2.443 30.847 -11.828 1.00 27.07 N ATOM 595 CA LEU A 77 1.940 31.434 -13.073 1.00 27.62 C ATOM 596 C LEU A 77 1.100 30.371 -13.750 1.00 28.49 C ATOM 597 O LEU A 77 1.529 29.221 -13.869 1.00 28.29 O ATOM 598 CB LEU A 77 3.077 31.866 -13.992 1.00 27.57 C ATOM 599 CG LEU A 77 2.584 32.614 -15.231 1.00 26.72 C ATOM 600 CD1 LEU A 77 1.990 33.985 -14.870 1.00 25.92 C ATOM 601 CD2 LEU A 77 3.691 32.789 -16.239 1.00 27.85 C ATOM 602 N ILE A 78 -0.104 30.739 -14.162 1.00 30.04 N ATOM 603 CA ILE A 78 -1.038 29.743 -14.677 1.00 32.42 C ATOM 604 C ILE A 78 -1.504 30.114 -16.072 1.00 34.09 C ATOM 605 O ILE A 78 -2.048 31.201 -16.285 1.00 33.06 O ATOM 606 CB ILE A 78 -2.275 29.584 -13.782 1.00 33.13 C ATOM 607 CG1 ILE A 78 -1.869 29.190 -12.361 1.00 33.15 C ATOM 608 CG2 ILE A 78 -3.231 28.534 -14.369 1.00 34.41 C ATOM 609 CD1 ILE A 78 -1.894 30.323 -11.413 1.00 34.10 C ATOM 610 N LEU A 79 -1.277 29.196 -17.007 1.00 36.20 N ATOM 611 CA LEU A 79 -1.801 29.304 -18.357 1.00 39.06 C ATOM 612 C LEU A 79 -2.963 28.325 -18.394 1.00 40.75 C ATOM 613 O LEU A 79 -2.762 27.103 -18.444 1.00 41.70 O ATOM 614 CB LEU A 79 -0.738 28.888 -19.376 1.00 38.66 C ATOM 615 CG LEU A 79 0.536 29.715 -19.599 1.00 40.03 C ATOM 616 CD1 LEU A 79 1.454 29.749 -18.374 1.00 39.71 C ATOM 617 CD2 LEU A 79 1.293 29.161 -20.798 1.00 39.44 C ATOM 618 N GLU A 80 -4.177 28.857 -18.343 1.00 42.71 N ATOM 619 CA GLU A 80 -5.354 28.022 -18.156 1.00 44.89 C ATOM 620 C GLU A 80 -5.629 27.190 -19.417 1.00 45.25 C ATOM 621 O GLU A 80 -6.150 26.073 -19.335 1.00 45.87 O ATOM 622 CB GLU A 80 -6.557 28.886 -17.763 1.00 45.26 C ATOM 623 CG GLU A 80 -7.469 28.274 -16.688 1.00 49.42 C ATOM 624 CD GLU A 80 -6.894 28.327 -15.262 1.00 52.95 C ATOM 625 OE1 GLU A 80 -6.454 29.410 -14.809 1.00 55.44 O ATOM 626 OE2 GLU A 80 -6.901 27.277 -14.579 1.00 55.45 O ATOM 627 N SER A 81 -5.248 27.734 -20.569 1.00 45.73 N ATOM 628 CA SER A 81 -5.416 27.056 -21.852 1.00 46.39 C ATOM 629 C SER A 81 -4.287 27.501 -22.771 1.00 46.27 C ATOM 630 O SER A 81 -4.380 28.553 -23.416 1.00 46.49 O ATOM 631 CB SER A 81 -6.786 27.405 -22.456 1.00 46.75 C ATOM 632 OG SER A 81 -6.992 26.740 -23.698 1.00 47.82 O ATOM 633 N ALA A 82 -3.217 26.707 -22.813 1.00 46.47 N ATOM 634 CA ALA A 82 -1.976 27.118 -23.468 1.00 46.43 C ATOM 635 C ALA A 82 -2.165 27.352 -24.956 1.00 46.82 C ATOM 636 O ALA A 82 -2.760 26.524 -25.650 1.00 46.99 O ATOM 637 CB ALA A 82 -0.852 26.105 -23.215 1.00 46.16 C ATOM 638 N THR A 83 -1.685 28.495 -25.431 1.00 46.65 N ATOM 639 CA THR A 83 -1.686 28.783 -26.856 1.00 46.94 C ATOM 640 C THR A 83 -0.249 28.853 -27.381 1.00 46.95 C ATOM 641 O THR A 83 0.681 29.129 -26.613 1.00 47.16 O ATOM 642 CB THR A 83 -2.445 30.083 -27.191 1.00 47.10 C ATOM 643 OG1 THR A 83 -1.753 31.209 -26.640 1.00 47.33 O ATOM 644 CG2 THR A 83 -3.881 30.024 -26.664 1.00 46.73 C ATOM 645 N PRO A 84 -0.057 28.599 -28.691 1.00 46.72 N ATOM 646 CA PRO A 84 1.278 28.641 -29.297 1.00 46.21 C ATOM 647 C PRO A 84 2.013 29.963 -29.071 1.00 45.78 C ATOM 648 O PRO A 84 3.233 29.962 -28.926 1.00 45.93 O ATOM 649 CB PRO A 84 0.987 28.445 -30.790 1.00 46.15 C ATOM 650 CG PRO A 84 -0.287 27.645 -30.805 1.00 46.59 C ATOM 651 CD PRO A 84 -1.094 28.243 -29.683 1.00 46.63 C ATOM 652 N SER A 85 1.280 31.075 -29.032 1.00 45.10 N ATOM 653 CA SER A 85 1.875 32.386 -28.763 1.00 44.56 C ATOM 654 C SER A 85 2.549 32.476 -27.383 1.00 43.89 C ATOM 655 O SER A 85 3.318 33.412 -27.124 1.00 43.81 O ATOM 656 CB SER A 85 0.815 33.476 -28.872 1.00 44.74 C ATOM 657 OG SER A 85 -0.227 33.238 -27.941 1.00 45.67 O ATOM 658 N GLN A 86 2.254 31.514 -26.509 1.00 43.09 N ATOM 659 CA GLN A 86 2.798 31.522 -25.141 1.00 42.22 C ATOM 660 C GLN A 86 4.092 30.711 -25.035 1.00 42.16 C ATOM 661 O GLN A 86 4.727 30.656 -23.973 1.00 41.29 O ATOM 662 CB GLN A 86 1.755 31.042 -24.127 1.00 42.20 C ATOM 663 CG GLN A 86 0.538 31.943 -24.027 1.00 40.72 C ATOM 664 CD GLN A 86 -0.515 31.395 -23.081 1.00 40.86 C ATOM 665 OE1 GLN A 86 -0.890 30.215 -23.160 1.00 37.52 O ATOM 666 NE2 GLN A 86 -0.998 32.252 -22.169 1.00 37.90 N ATOM 667 N THR A 87 4.480 30.079 -26.145 1.00 41.43 N ATOM 668 CA THR A 87 5.820 29.531 -26.278 1.00 41.07 C ATOM 669 C THR A 87 6.823 30.645 -26.002 1.00 40.05 C ATOM 670 O THR A 87 6.767 31.698 -26.640 1.00 40.09 O ATOM 671 CB THR A 87 6.021 28.935 -27.695 1.00 40.80 C ATOM 672 OG1 THR A 87 5.108 27.848 -27.849 1.00 42.05 O ATOM 673 CG2 THR A 87 7.442 28.427 -27.891 1.00 41.54 C ATOM 674 N SER A 88 7.714 30.421 -25.027 1.00 39.15 N ATOM 675 CA SER A 88 8.637 31.463 -24.577 1.00 37.87 C ATOM 676 C SER A 88 9.555 30.989 -23.461 1.00 36.38 C ATOM 677 O SER A 88 9.418 29.880 -22.966 1.00 36.56 O ATOM 678 CB SER A 88 7.837 32.677 -24.081 1.00 38.12 C ATOM 679 OG SER A 88 8.667 33.806 -23.950 1.00 39.07 O ATOM 680 N VAL A 89 10.508 31.831 -23.082 1.00 35.40 N ATOM 681 CA VAL A 89 11.259 31.619 -21.848 1.00 34.43 C ATOM 682 C VAL A 89 10.642 32.519 -20.770 1.00 33.11 C ATOM 683 O VAL A 89 10.390 33.698 -21.024 1.00 32.69 O ATOM 684 CB VAL A 89 12.767 31.939 -21.994 1.00 34.81 C ATOM 685 CG1 VAL A 89 13.536 31.468 -20.756 1.00 34.50 C ATOM 686 CG2 VAL A 89 13.338 31.252 -23.238 1.00 35.86 C ATOM 687 N TYR A 90 10.396 31.943 -19.594 1.00 31.99 N ATOM 688 CA TYR A 90 9.779 32.667 -18.470 1.00 31.08 C ATOM 689 C TYR A 90 10.752 32.796 -17.297 1.00 29.76 C ATOM 690 O TYR A 90 11.457 31.846 -16.966 1.00 30.70 O ATOM 691 CB TYR A 90 8.509 31.946 -18.031 1.00 31.38 C ATOM 692 CG TYR A 90 7.414 31.966 -19.077 1.00 33.04 C ATOM 693 CD1 TYR A 90 7.387 31.018 -20.117 1.00 33.53 C ATOM 694 CD2 TYR A 90 6.409 32.937 -19.041 1.00 32.44 C ATOM 695 CE1 TYR A 90 6.374 31.046 -21.093 1.00 34.43 C ATOM 696 CE2 TYR A 90 5.383 32.965 -20.015 1.00 35.14 C ATOM 697 CZ TYR A 90 5.385 32.020 -21.034 1.00 34.50 C ATOM 698 OH TYR A 90 4.378 32.062 -21.979 1.00 36.59 O ATOM 699 N PHE A 91 10.797 33.970 -16.676 1.00 28.76 N ATOM 700 CA PHE A 91 11.673 34.187 -15.527 1.00 27.85 C ATOM 701 C PHE A 91 10.839 34.715 -14.371 1.00 27.10 C ATOM 702 O PHE A 91 10.081 35.662 -14.556 1.00 25.71 O ATOM 703 CB PHE A 91 12.750 35.221 -15.837 1.00 27.86 C ATOM 704 CG PHE A 91 13.808 34.726 -16.788 1.00 31.02 C ATOM 705 CD1 PHE A 91 14.934 34.039 -16.305 1.00 32.69 C ATOM 706 CD2 PHE A 91 13.669 34.925 -18.152 1.00 33.12 C ATOM 707 CE1 PHE A 91 15.917 33.566 -17.173 1.00 34.55 C ATOM 708 CE2 PHE A 91 14.643 34.448 -19.032 1.00 35.85 C ATOM 709 CZ PHE A 91 15.771 33.769 -18.534 1.00 36.42 C ATOM 710 N CYS A 92 11.007 34.101 -13.204 1.00 26.57 N ATOM 711 CA CYS A 92 10.408 34.586 -11.948 1.00 26.82 C ATOM 712 C CYS A 92 11.442 35.451 -11.266 1.00 25.29 C ATOM 713 O CYS A 92 12.647 35.211 -11.429 1.00 24.90 O ATOM 714 CB CYS A 92 10.098 33.406 -11.020 1.00 27.55 C ATOM 715 SG CYS A 92 9.415 33.932 -9.407 1.00 37.02 S ATOM 716 N ALA A 93 11.008 36.435 -10.483 1.00 23.19 N ATOM 717 CA ALA A 93 11.946 37.203 -9.655 1.00 22.05 C ATOM 718 C ALA A 93 11.320 37.459 -8.284 1.00 22.46 C ATOM 719 O ALA A 93 10.085 37.478 -8.148 1.00 21.85 O ATOM 720 CB ALA A 93 12.274 38.509 -10.298 1.00 22.10 C ATOM 721 N SER A 94 12.169 37.685 -7.285 1.00 22.84 N ATOM 722 CA SER A 94 11.712 38.126 -5.971 1.00 22.96 C ATOM 723 C SER A 94 12.530 39.346 -5.621 1.00 22.76 C ATOM 724 O SER A 94 13.699 39.476 -6.029 1.00 23.18 O ATOM 725 CB SER A 94 11.839 37.019 -4.912 1.00 23.91 C ATOM 726 OG SER A 94 13.185 36.825 -4.527 1.00 28.41 O ATOM 727 N GLY A 95 11.910 40.282 -4.919 1.00 21.05 N ATOM 728 CA GLY A 95 12.558 41.547 -4.628 1.00 20.58 C ATOM 729 C GLY A 95 12.122 42.181 -3.325 1.00 20.43 C ATOM 730 O GLY A 95 10.970 42.017 -2.889 1.00 17.90 O ATOM 731 N GLY A 96 13.038 42.930 -2.720 1.00 21.25 N ATOM 732 CA GLY A 96 12.743 43.687 -1.490 1.00 22.23 C ATOM 733 C GLY A 96 14.026 44.031 -0.750 1.00 21.13 C ATOM 734 O GLY A 96 15.041 43.367 -0.945 1.00 22.10 O ATOM 735 N GLY A 97 13.991 45.075 0.075 1.00 22.36 N ATOM 736 CA GLY A 97 15.146 45.438 0.902 1.00 22.70 C ATOM 737 C GLY A 97 16.330 45.826 0.043 1.00 23.99 C ATOM 738 O GLY A 97 17.483 45.602 0.412 1.00 24.40 O ATOM 739 N GLY A 98 16.044 46.398 -1.130 1.00 24.19 N ATOM 740 CA GLY A 98 17.105 46.778 -2.056 1.00 24.59 C ATOM 741 C GLY A 98 17.780 45.601 -2.740 1.00 25.22 C ATOM 742 O GLY A 98 18.978 45.672 -3.069 1.00 25.73 O ATOM 743 N THR A 99 17.032 44.521 -2.975 1.00 25.72 N ATOM 744 CA THR A 99 17.539 43.368 -3.726 1.00 26.91 C ATOM 745 C THR A 99 16.540 42.963 -4.793 1.00 26.96 C ATOM 746 O THR A 99 15.347 43.201 -4.645 1.00 26.18 O ATOM 747 CB THR A 99 17.804 42.110 -2.857 1.00 27.67 C ATOM 748 OG1 THR A 99 16.555 41.476 -2.550 1.00 29.79 O ATOM 749 CG2 THR A 99 18.537 42.470 -1.582 1.00 29.66 C ATOM 750 N LEU A 100 17.047 42.356 -5.869 1.00 26.83 N ATOM 751 CA LEU A 100 16.199 41.718 -6.867 1.00 26.80 C ATOM 752 C LEU A 100 16.929 40.461 -7.319 1.00 27.76 C ATOM 753 O LEU A 100 18.059 40.534 -7.848 1.00 28.80 O ATOM 754 CB LEU A 100 15.898 42.656 -8.041 1.00 26.55 C ATOM 755 CG LEU A 100 14.988 42.062 -9.128 1.00 25.70 C ATOM 756 CD1 LEU A 100 13.546 41.889 -8.599 1.00 24.60 C ATOM 757 CD2 LEU A 100 14.977 42.925 -10.350 1.00 27.28 C ATOM 758 N TYR A 101 16.322 39.318 -7.073 1.00 27.10 N ATOM 759 CA TYR A 101 16.905 38.059 -7.489 1.00 28.28 C ATOM 760 C TYR A 101 16.057 37.504 -8.604 1.00 28.22 C ATOM 761 O TYR A 101 14.845 37.355 -8.451 1.00 27.31 O ATOM 762 CB TYR A 101 16.965 37.064 -6.349 1.00 29.26 C ATOM 763 CG TYR A 101 17.814 37.544 -5.208 1.00 32.31 C ATOM 764 CD1 TYR A 101 17.238 37.850 -3.983 1.00 34.61 C ATOM 765 CD2 TYR A 101 19.201 37.687 -5.353 1.00 37.46 C ATOM 766 CE1 TYR A 101 18.010 38.293 -2.921 1.00 37.60 C ATOM 767 CE2 TYR A 101 19.998 38.122 -4.284 1.00 39.06 C ATOM 768 CZ TYR A 101 19.388 38.426 -3.068 1.00 38.93 C ATOM 769 OH TYR A 101 20.143 38.863 -1.983 1.00 38.87 O ATOM 770 N PHE A 108 16.655 36.627 -9.733 1.00 28.33 N ATOM 771 CA PHE A 108 15.888 35.948 -10.769 1.00 28.64 C ATOM 772 C PHE A 108 16.081 34.452 -10.673 1.00 28.99 C ATOM 773 O PHE A 108 17.141 33.991 -10.233 1.00 28.89 O ATOM 774 CB PHE A 108 16.363 36.417 -12.143 1.00 29.01 C ATOM 775 CG PHE A 108 16.009 37.834 -12.458 1.00 30.00 C ATOM 776 CD1 PHE A 108 16.879 38.872 -12.141 1.00 31.62 C ATOM 777 CD2 PHE A 108 14.803 38.135 -13.080 1.00 31.14 C ATOM 778 CE1 PHE A 108 16.553 40.213 -12.438 1.00 35.07 C ATOM 779 CE2 PHE A 108 14.454 39.465 -13.373 1.00 30.76 C ATOM 780 CZ PHE A 108 15.333 40.501 -13.069 1.00 32.03 C ATOM 781 N GLY A 109 15.072 33.703 -11.113 1.00 28.19 N ATOM 782 CA GLY A 109 15.173 32.265 -11.294 1.00 29.84 C ATOM 783 C GLY A 109 15.971 32.021 -12.567 1.00 30.42 C ATOM 784 O GLY A 109 16.223 32.952 -13.334 1.00 29.75 O ATOM 785 N ALA A 110 16.338 30.767 -12.795 1.00 31.86 N ATOM 786 CA ALA A 110 17.190 30.423 -13.932 1.00 33.27 C ATOM 787 C ALA A 110 16.421 30.256 -15.249 1.00 34.23 C ATOM 788 O ALA A 110 17.033 30.025 -16.300 1.00 34.08 O ATOM 789 CB ALA A 110 18.014 29.181 -13.626 1.00 33.79 C ATOM 790 N GLY A 111 15.095 30.386 -15.208 1.00 34.29 N ATOM 791 CA GLY A 111 14.299 30.424 -16.447 1.00 35.02 C ATOM 792 C GLY A 111 13.572 29.123 -16.695 1.00 35.56 C ATOM 793 O GLY A 111 14.013 28.055 -16.251 1.00 36.06 O ATOM 794 N THR A 112 12.436 29.222 -17.377 1.00 36.10 N ATOM 795 CA THR A 112 11.658 28.071 -17.796 1.00 36.77 C ATOM 796 C THR A 112 11.442 28.238 -19.291 1.00 37.58 C ATOM 797 O THR A 112 10.947 29.274 -19.734 1.00 36.94 O ATOM 798 CB THR A 112 10.293 28.024 -17.086 1.00 37.01 C ATOM 799 OG1 THR A 112 10.493 27.683 -15.713 1.00 37.44 O ATOM 800 CG2 THR A 112 9.370 26.987 -17.729 1.00 35.62 C ATOM 801 N ARG A 113 11.833 27.225 -20.070 1.00 38.84 N ATOM 802 CA ARG A 113 11.525 27.217 -21.505 1.00 39.71 C ATOM 803 C ARG A 113 10.241 26.435 -21.698 1.00 39.96 C ATOM 804 O ARG A 113 10.145 25.269 -21.315 1.00 39.71 O ATOM 805 CB ARG A 113 12.661 26.598 -22.324 1.00 40.54 C ATOM 806 CG ARG A 113 13.981 27.380 -22.280 1.00 41.86 C ATOM 807 CD ARG A 113 15.055 26.582 -23.006 1.00 45.93 C ATOM 808 NE ARG A 113 16.354 27.242 -23.013 1.00 48.08 N ATOM 809 CZ ARG A 113 17.368 26.875 -23.790 1.00 49.73 C ATOM 810 NH1 ARG A 113 18.525 27.526 -23.727 1.00 51.69 N ATOM 811 NH2 ARG A 113 17.230 25.851 -24.630 1.00 49.76 N ATOM 812 N LEU A 114 9.240 27.109 -22.248 1.00 40.22 N ATOM 813 CA LEU A 114 7.949 26.508 -22.499 1.00 41.41 C ATOM 814 C LEU A 114 7.683 26.528 -24.001 1.00 42.17 C ATOM 815 O LEU A 114 7.823 27.558 -24.651 1.00 42.64 O ATOM 816 CB LEU A 114 6.848 27.271 -21.756 1.00 40.79 C ATOM 817 CG LEU A 114 5.413 26.881 -22.113 1.00 41.18 C ATOM 818 CD1 LEU A 114 5.060 25.521 -21.527 1.00 41.75 C ATOM 819 CD2 LEU A 114 4.429 27.931 -21.649 1.00 42.10 C ATOM 820 N SER A 115 7.314 25.379 -24.544 1.00 44.09 N ATOM 821 CA SER A 115 6.933 25.284 -25.948 1.00 45.58 C ATOM 822 C SER A 115 5.512 24.749 -26.030 1.00 46.23 C ATOM 823 O SER A 115 5.190 23.722 -25.433 1.00 46.12 O ATOM 824 CB SER A 115 7.901 24.377 -26.703 1.00 45.89 C ATOM 825 OG SER A 115 8.018 23.144 -26.021 1.00 47.81 O ATOM 826 N VAL A 116 4.654 25.485 -26.728 1.00 47.39 N ATOM 827 CA VAL A 116 3.268 25.069 -26.903 1.00 48.55 C ATOM 828 C VAL A 116 3.062 24.694 -28.369 1.00 49.71 C ATOM 829 O VAL A 116 2.948 25.567 -29.239 1.00 49.37 O ATOM 830 CB VAL A 116 2.262 26.159 -26.461 1.00 48.42 C ATOM 831 CG1 VAL A 116 0.846 25.605 -26.458 1.00 48.26 C ATOM 832 CG2 VAL A 116 2.623 26.694 -25.066 1.00 48.12 C ATOM 833 N LEU A 117 3.054 23.386 -28.630 1.00 51.28 N ATOM 834 CA LEU A 117 2.797 22.864 -29.977 1.00 52.80 C ATOM 835 C LEU A 117 1.296 22.700 -30.207 1.00 53.39 C ATOM 836 O LEU A 117 0.674 23.562 -30.838 1.00 53.92 O ATOM 837 CB LEU A 117 3.578 21.564 -30.261 1.00 52.96 C ATOM 838 CG LEU A 117 4.132 20.677 -29.136 1.00 53.97 C ATOM 839 CD1 LEU A 117 3.077 19.747 -28.530 1.00 55.51 C ATOM 840 CD2 LEU A 117 5.320 19.865 -29.647 1.00 55.17 C ATOM 841 OXT LEU A 117 0.667 21.732 -29.757 1.00 54.05 O TER 842 LEU A 117 ATOM 843 N SER B 2 -32.484 50.273 11.155 1.00 51.50 N ATOM 844 CA SER B 2 -32.629 49.640 9.813 1.00 50.77 C ATOM 845 C SER B 2 -32.053 50.558 8.731 1.00 50.19 C ATOM 846 O SER B 2 -32.573 51.646 8.475 1.00 50.15 O ATOM 847 CB SER B 2 -34.092 49.307 9.545 1.00 51.27 C ATOM 848 OG SER B 2 -34.204 48.268 8.596 1.00 51.58 O ATOM 849 N GLN B 3 -30.956 50.106 8.126 1.00 49.11 N ATOM 850 CA GLN B 3 -30.188 50.871 7.139 1.00 48.34 C ATOM 851 C GLN B 3 -31.024 51.153 5.883 1.00 48.09 C ATOM 852 O GLN B 3 -31.770 50.274 5.435 1.00 47.49 O ATOM 853 CB GLN B 3 -28.925 50.076 6.769 1.00 47.83 C ATOM 854 CG GLN B 3 -27.826 50.856 6.050 1.00 46.44 C ATOM 855 CD GLN B 3 -26.610 49.991 5.727 1.00 44.74 C ATOM 856 OE1 GLN B 3 -26.571 48.806 6.066 1.00 38.35 O ATOM 857 NE2 GLN B 3 -25.603 50.591 5.073 1.00 44.52 N ATOM 858 N PRO B 4 -30.927 52.388 5.331 1.00 48.27 N ATOM 859 CA PRO B 4 -31.555 52.690 4.036 1.00 48.43 C ATOM 860 C PRO B 4 -31.074 51.734 2.937 1.00 48.74 C ATOM 861 O PRO B 4 -29.864 51.519 2.786 1.00 47.75 O ATOM 862 CB PRO B 4 -31.100 54.127 3.739 1.00 48.31 C ATOM 863 CG PRO B 4 -29.947 54.376 4.655 1.00 48.53 C ATOM 864 CD PRO B 4 -30.251 53.575 5.884 1.00 48.27 C ATOM 865 N ASP B 5 -32.019 51.159 2.192 1.00 49.20 N ATOM 866 CA ASP B 5 -31.670 50.202 1.141 1.00 50.03 C ATOM 867 C ASP B 5 -30.880 50.867 0.011 1.00 49.92 C ATOM 868 O ASP B 5 -30.980 52.084 -0.179 1.00 49.80 O ATOM 869 CB ASP B 5 -32.896 49.414 0.635 1.00 50.55 C ATOM 870 CG ASP B 5 -32.947 47.977 1.195 1.00 52.19 C ATOM 871 OD1 ASP B 5 -32.360 47.716 2.271 1.00 53.11 O ATOM 872 OD2 ASP B 5 -33.571 47.098 0.558 1.00 53.83 O ATOM 873 N PRO B 6 -30.064 50.074 -0.713 1.00 49.90 N ATOM 874 CA PRO B 6 -29.122 50.657 -1.660 1.00 50.32 C ATOM 875 C PRO B 6 -29.791 51.174 -2.921 1.00 51.16 C ATOM 876 O PRO B 6 -30.655 50.506 -3.483 1.00 51.17 O ATOM 877 CB PRO B 6 -28.207 49.488 -2.027 1.00 50.15 C ATOM 878 CG PRO B 6 -28.652 48.334 -1.232 1.00 49.34 C ATOM 879 CD PRO B 6 -29.987 48.605 -0.694 1.00 49.57 C ATOM 880 N MET B 7 -29.373 52.359 -3.349 1.00 52.13 N ATOM 881 CA MET B 7 -29.719 52.884 -4.658 1.00 53.25 C ATOM 882 C MET B 7 -28.573 52.501 -5.599 1.00 52.85 C ATOM 883 O MET B 7 -27.437 52.376 -5.149 1.00 52.61 O ATOM 884 CB MET B 7 -29.841 54.407 -4.562 1.00 54.04 C ATOM 885 CG MET B 7 -31.104 54.995 -5.184 1.00 57.39 C ATOM 886 SD MET B 7 -32.641 54.317 -4.499 1.00 64.55 S ATOM 887 CE MET B 7 -33.253 53.318 -5.869 1.00 62.15 C ATOM 888 N PRO B 8 -28.852 52.295 -6.903 1.00 52.65 N ATOM 889 CA PRO B 8 -27.746 51.970 -7.828 1.00 52.19 C ATOM 890 C PRO B 8 -26.506 52.878 -7.716 1.00 51.47 C ATOM 891 O PRO B 8 -25.386 52.409 -7.920 1.00 51.74 O ATOM 892 CB PRO B 8 -28.396 52.097 -9.211 1.00 52.42 C ATOM 893 CG PRO B 8 -29.849 51.757 -8.965 1.00 52.66 C ATOM 894 CD PRO B 8 -30.160 52.318 -7.591 1.00 53.00 C ATOM 895 N ASP B 9 -26.696 54.151 -7.377 1.00 50.57 N ATOM 896 CA ASP B 9 -25.563 55.063 -7.193 1.00 49.29 C ATOM 897 C ASP B 9 -24.824 54.839 -5.867 1.00 47.44 C ATOM 898 O ASP B 9 -23.739 55.394 -5.657 1.00 47.27 O ATOM 899 CB ASP B 9 -26.015 56.526 -7.303 1.00 50.48 C ATOM 900 CG ASP B 9 -26.794 56.985 -6.080 1.00 53.26 C ATOM 901 OD1 ASP B 9 -26.152 57.429 -5.092 1.00 56.39 O ATOM 902 OD2 ASP B 9 -28.045 56.890 -6.100 1.00 56.80 O ATOM 903 N ASP B 10 -25.414 54.047 -4.971 1.00 44.52 N ATOM 904 CA ASP B 10 -24.764 53.698 -3.699 1.00 41.97 C ATOM 905 C ASP B 10 -23.871 52.466 -3.824 1.00 39.02 C ATOM 906 O ASP B 10 -23.174 52.108 -2.863 1.00 39.36 O ATOM 907 CB ASP B 10 -25.801 53.435 -2.600 1.00 42.42 C ATOM 908 CG ASP B 10 -26.561 54.687 -2.194 1.00 45.62 C ATOM 909 OD1 ASP B 10 -27.790 54.583 -1.990 1.00 47.61 O ATOM 910 OD2 ASP B 10 -25.935 55.773 -2.082 1.00 48.75 O ATOM 911 N LEU B 11 -23.919 51.811 -4.984 1.00 34.60 N ATOM 912 CA LEU B 11 -23.229 50.535 -5.193 1.00 31.28 C ATOM 913 C LEU B 11 -22.012 50.648 -6.113 1.00 29.42 C ATOM 914 O LEU B 11 -22.088 51.264 -7.190 1.00 27.80 O ATOM 915 CB LEU B 11 -24.211 49.474 -5.741 1.00 29.93 C ATOM 916 CG LEU B 11 -25.435 49.110 -4.884 1.00 29.43 C ATOM 917 CD1 LEU B 11 -26.379 48.167 -5.667 1.00 27.24 C ATOM 918 CD2 LEU B 11 -24.998 48.464 -3.568 1.00 29.23 C ATOM 919 N HIS B 12 -20.910 50.007 -5.708 1.00 27.87 N ATOM 920 CA HIS B 12 -19.696 49.947 -6.520 1.00 25.89 C ATOM 921 C HIS B 12 -19.951 49.116 -7.769 1.00 25.71 C ATOM 922 O HIS B 12 -20.653 48.098 -7.718 1.00 24.72 O ATOM 923 CB HIS B 12 -18.542 49.294 -5.741 1.00 26.62 C ATOM 924 CG HIS B 12 -17.966 50.147 -4.645 1.00 27.16 C ATOM 925 ND1 HIS B 12 -17.340 49.602 -3.545 1.00 29.44 N ATOM 926 CD2 HIS B 12 -17.898 51.490 -4.488 1.00 29.41 C ATOM 927 CE1 HIS B 12 -16.912 50.573 -2.751 1.00 30.22 C ATOM 928 NE2 HIS B 12 -17.236 51.729 -3.301 1.00 30.81 N ATOM 929 N LYS B 13 -19.374 49.542 -8.885 1.00 25.12 N ATOM 930 CA LYS B 13 -19.552 48.850 -10.151 1.00 25.05 C ATOM 931 C LYS B 13 -18.292 48.114 -10.552 1.00 24.09 C ATOM 932 O LYS B 13 -17.196 48.711 -10.619 1.00 24.15 O ATOM 933 CB LYS B 13 -19.959 49.863 -11.224 1.00 26.00 C ATOM 934 CG LYS B 13 -21.247 50.593 -10.858 1.00 27.96 C ATOM 935 CD LYS B 13 -21.647 51.622 -11.907 1.00 36.73 C ATOM 936 CE LYS B 13 -22.655 52.646 -11.329 1.00 39.32 C ATOM 937 NZ LYS B 13 -23.352 52.149 -10.062 1.00 43.78 N ATOM 938 N SER B 14 -18.411 46.814 -10.830 1.00 22.85 N ATOM 939 CA SER B 14 -17.227 46.069 -11.238 1.00 23.25 C ATOM 940 C SER B 14 -16.595 46.617 -12.534 1.00 23.38 C ATOM 941 O SER B 14 -15.384 46.520 -12.715 1.00 22.39 O ATOM 942 CB SER B 14 -17.487 44.557 -11.321 1.00 24.46 C ATOM 943 OG SER B 14 -18.280 44.207 -12.452 1.00 24.52 O ATOM 944 N SER B 15 -17.402 47.249 -13.395 1.00 23.17 N ATOM 945 CA SER B 15 -16.876 47.776 -14.661 1.00 24.71 C ATOM 946 C SER B 15 -15.952 48.960 -14.400 1.00 25.76 C ATOM 947 O SER B 15 -15.136 49.309 -15.263 1.00 27.24 O ATOM 948 CB SER B 15 -18.017 48.216 -15.583 1.00 24.37 C ATOM 949 OG SER B 15 -18.817 49.203 -14.964 1.00 26.13 O ATOM 950 N GLU B 16 -16.092 49.581 -13.224 1.00 24.97 N ATOM 951 CA GLU B 16 -15.237 50.697 -12.823 1.00 25.88 C ATOM 952 C GLU B 16 -13.994 50.276 -12.030 1.00 25.45 C ATOM 953 O GLU B 16 -13.158 51.122 -11.671 1.00 25.43 O ATOM 954 CB GLU B 16 -16.039 51.735 -12.052 1.00 26.65 C ATOM 955 CG GLU B 16 -17.132 52.380 -12.918 1.00 29.30 C ATOM 956 CD GLU B 16 -18.007 53.356 -12.161 1.00 33.42 C ATOM 957 OE1 GLU B 16 -18.803 54.057 -12.823 1.00 37.21 O ATOM 958 OE2 GLU B 16 -17.936 53.416 -10.912 1.00 36.33 O ATOM 959 N PHE B 17 -13.883 48.981 -11.759 1.00 24.44 N ATOM 960 CA PHE B 17 -12.690 48.416 -11.133 1.00 23.50 C ATOM 961 C PHE B 17 -11.830 47.765 -12.211 1.00 23.95 C ATOM 962 O PHE B 17 -12.278 46.822 -12.891 1.00 23.94 O ATOM 963 CB PHE B 17 -13.075 47.412 -10.019 1.00 24.03 C ATOM 964 CG PHE B 17 -11.907 46.692 -9.441 1.00 21.98 C ATOM 965 CD1 PHE B 17 -10.991 47.366 -8.617 1.00 21.83 C ATOM 966 CD2 PHE B 17 -11.680 45.351 -9.760 1.00 20.48 C ATOM 967 CE1 PHE B 17 -9.890 46.674 -8.104 1.00 20.76 C ATOM 968 CE2 PHE B 17 -10.605 44.662 -9.255 1.00 20.35 C ATOM 969 CZ PHE B 17 -9.695 45.332 -8.422 1.00 20.32 C ATOM 970 N THR B 18 -10.610 48.275 -12.382 1.00 23.85 N ATOM 971 CA THR B 18 -9.735 47.824 -13.468 1.00 25.62 C ATOM 972 C THR B 18 -8.554 47.000 -12.988 1.00 25.27 C ATOM 973 O THR B 18 -7.653 46.654 -13.775 1.00 25.88 O ATOM 974 CB THR B 18 -9.200 49.045 -14.266 1.00 25.94 C ATOM 975 OG1 THR B 18 -8.515 49.933 -13.364 1.00 28.48 O ATOM 976 CG2 THR B 18 -10.377 49.800 -14.910 1.00 29.54 C ATOM 977 N GLY B 19 -8.535 46.685 -11.695 1.00 24.45 N ATOM 978 CA GLY B 19 -7.496 45.806 -11.168 1.00 23.25 C ATOM 979 C GLY B 19 -7.842 44.335 -11.329 1.00 22.67 C ATOM 980 O GLY B 19 -8.571 43.935 -12.254 1.00 22.99 O ATOM 981 N THR B 20 -7.303 43.517 -10.419 1.00 21.03 N ATOM 982 CA THR B 20 -7.463 42.084 -10.466 1.00 20.30 C ATOM 983 C THR B 20 -8.526 41.657 -9.455 1.00 19.89 C ATOM 984 O THR B 20 -8.334 41.785 -8.226 1.00 18.44 O ATOM 985 CB THR B 20 -6.099 41.377 -10.230 1.00 21.35 C ATOM 986 OG1 THR B 20 -5.230 41.713 -11.324 1.00 21.47 O ATOM 987 CG2 THR B 20 -6.248 39.852 -10.130 1.00 19.76 C ATOM 988 N MET B 21 -9.654 41.161 -9.972 1.00 18.71 N ATOM 989 CA MET B 21 -10.744 40.726 -9.087 1.00 17.56 C ATOM 990 C MET B 21 -10.333 39.511 -8.226 1.00 17.77 C ATOM 991 O MET B 21 -10.970 39.260 -7.206 1.00 17.10 O ATOM 992 CB MET B 21 -12.032 40.462 -9.909 1.00 17.40 C ATOM 993 CG MET B 21 -13.312 40.252 -9.049 1.00 17.28 C ATOM 994 SD MET B 21 -13.839 41.725 -8.208 1.00 21.07 S ATOM 995 CE MET B 21 -14.638 42.660 -9.542 1.00 20.31 C ATOM 996 N GLY B 22 -9.293 38.759 -8.634 1.00 16.21 N ATOM 997 CA GLY B 22 -8.746 37.673 -7.840 1.00 16.91 C ATOM 998 C GLY B 22 -8.387 38.146 -6.441 1.00 15.92 C ATOM 999 O GLY B 22 -8.385 37.346 -5.517 1.00 16.66 O ATOM 1000 N ASN B 23 -8.113 39.442 -6.282 1.00 16.72 N ATOM 1001 CA ASN B 23 -7.771 39.978 -4.945 1.00 16.96 C ATOM 1002 C ASN B 23 -8.974 40.050 -3.999 1.00 17.77 C ATOM 1003 O ASN B 23 -8.817 39.992 -2.763 1.00 17.89 O ATOM 1004 CB ASN B 23 -7.083 41.333 -5.046 1.00 17.21 C ATOM 1005 CG ASN B 23 -5.721 41.240 -5.715 1.00 18.61 C ATOM 1006 OD1 ASN B 23 -4.988 40.262 -5.528 1.00 17.53 O ATOM 1007 ND2 ASN B 23 -5.406 42.231 -6.539 1.00 19.27 N ATOM 1008 N MET B 24 -10.169 40.211 -4.582 1.00 16.91 N ATOM 1009 CA MET B 24 -11.432 40.100 -3.837 1.00 17.97 C ATOM 1010 C MET B 24 -11.824 38.625 -3.688 1.00 17.09 C ATOM 1011 O MET B 24 -12.211 38.189 -2.600 1.00 16.34 O ATOM 1012 CB MET B 24 -12.552 40.907 -4.528 1.00 17.33 C ATOM 1013 CG MET B 24 -13.951 40.637 -3.922 1.00 20.06 C ATOM 1014 SD MET B 24 -14.141 41.392 -2.303 1.00 19.32 S ATOM 1015 CE MET B 24 -14.624 43.061 -2.734 1.00 18.90 C ATOM 1016 N LYS B 25 -11.696 37.847 -4.768 1.00 16.91 N ATOM 1017 CA LYS B 25 -11.939 36.410 -4.722 1.00 17.11 C ATOM 1018 C LYS B 25 -11.149 35.744 -3.599 1.00 16.93 C ATOM 1019 O LYS B 25 -11.675 34.884 -2.874 1.00 16.23 O ATOM 1020 CB LYS B 25 -11.572 35.761 -6.072 1.00 16.99 C ATOM 1021 CG LYS B 25 -11.911 34.241 -6.151 1.00 17.86 C ATOM 1022 CD LYS B 25 -11.573 33.702 -7.550 1.00 20.54 C ATOM 1023 CE LYS B 25 -11.879 32.232 -7.628 1.00 25.72 C ATOM 1024 NZ LYS B 25 -11.335 31.647 -8.897 1.00 31.44 N ATOM 1025 N TYR B 26 -9.889 36.170 -3.440 1.00 16.43 N ATOM 1026 CA TYR B 26 -9.004 35.528 -2.485 1.00 16.02 C ATOM 1027 C TYR B 26 -9.601 35.520 -1.064 1.00 14.95 C ATOM 1028 O TYR B 26 -9.432 34.545 -0.302 1.00 17.84 O ATOM 1029 CB TYR B 26 -7.659 36.287 -2.466 1.00 16.12 C ATOM 1030 CG TYR B 26 -6.732 35.735 -1.389 1.00 18.24 C ATOM 1031 CD1 TYR B 26 -6.061 34.528 -1.573 1.00 20.18 C ATOM 1032 CD2 TYR B 26 -6.561 36.422 -0.184 1.00 19.09 C ATOM 1033 CE1 TYR B 26 -5.210 34.005 -0.557 1.00 22.82 C ATOM 1034 CE2 TYR B 26 -5.728 35.915 0.834 1.00 20.56 C ATOM 1035 CZ TYR B 26 -5.071 34.715 0.641 1.00 23.78 C ATOM 1036 OH TYR B 26 -4.258 34.229 1.645 1.00 22.65 O ATOM 1037 N LEU B 27 -10.240 36.616 -0.704 1.00 15.03 N ATOM 1038 CA LEU B 27 -10.768 36.813 0.657 1.00 16.10 C ATOM 1039 C LEU B 27 -11.960 35.889 0.998 1.00 17.26 C ATOM 1040 O LEU B 27 -12.326 35.759 2.173 1.00 17.97 O ATOM 1041 CB LEU B 27 -11.170 38.278 0.830 1.00 16.22 C ATOM 1042 CG LEU B 27 -10.093 39.366 0.680 1.00 15.55 C ATOM 1043 CD1 LEU B 27 -10.776 40.711 0.865 1.00 17.38 C ATOM 1044 CD2 LEU B 27 -8.993 39.176 1.737 1.00 16.19 C ATOM 1045 N TYR B 28 -12.586 35.287 -0.023 1.00 16.40 N ATOM 1046 CA TYR B 28 -13.810 34.508 0.223 1.00 16.13 C ATOM 1047 C TYR B 28 -13.794 33.085 -0.332 1.00 17.59 C ATOM 1048 O TYR B 28 -14.704 32.291 -0.028 1.00 18.49 O ATOM 1049 CB TYR B 28 -15.022 35.258 -0.348 1.00 16.27 C ATOM 1050 CG TYR B 28 -15.286 36.538 0.360 1.00 16.34 C ATOM 1051 CD1 TYR B 28 -14.839 37.760 -0.166 1.00 14.49 C ATOM 1052 CD2 TYR B 28 -15.968 36.548 1.586 1.00 15.75 C ATOM 1053 CE1 TYR B 28 -15.116 38.972 0.496 1.00 14.25 C ATOM 1054 CE2 TYR B 28 -16.225 37.756 2.258 1.00 15.29 C ATOM 1055 CZ TYR B 28 -15.788 38.953 1.706 1.00 16.02 C ATOM 1056 OH TYR B 28 -16.039 40.126 2.344 1.00 15.45 O ATOM 1057 N ASP B 29 -12.811 32.767 -1.171 1.00 18.39 N ATOM 1058 CA ASP B 29 -12.802 31.464 -1.857 1.00 19.26 C ATOM 1059 C ASP B 29 -12.073 30.435 -0.965 1.00 19.32 C ATOM 1060 O ASP B 29 -10.843 30.420 -0.929 1.00 19.58 O ATOM 1061 CB ASP B 29 -12.100 31.570 -3.228 1.00 19.70 C ATOM 1062 CG ASP B 29 -12.093 30.245 -3.977 1.00 24.88 C ATOM 1063 OD1 ASP B 29 -11.511 30.174 -5.064 1.00 29.94 O ATOM 1064 OD2 ASP B 29 -12.658 29.276 -3.465 1.00 23.73 O ATOM 1065 N ASP B 30 -12.823 29.605 -0.231 1.00 19.94 N ATOM 1066 CA ASP B 30 -12.236 28.609 0.706 1.00 21.17 C ATOM 1067 C ASP B 30 -11.150 29.250 1.590 1.00 20.51 C ATOM 1068 O ASP B 30 -9.986 28.792 1.643 1.00 21.54 O ATOM 1069 CB ASP B 30 -11.671 27.410 -0.071 1.00 23.34 C ATOM 1070 CG ASP B 30 -11.248 26.271 0.841 1.00 27.51 C ATOM 1071 OD1 ASP B 30 -11.896 26.090 1.898 1.00 32.47 O ATOM 1072 OD2 ASP B 30 -10.260 25.578 0.494 1.00 33.94 O ATOM 1073 N HIS B 31 -11.517 30.350 2.238 1.00 19.83 N ATOM 1074 CA HIS B 31 -10.528 31.215 2.914 1.00 19.82 C ATOM 1075 C HIS B 31 -11.200 31.731 4.167 1.00 19.08 C ATOM 1076 O HIS B 31 -12.228 32.403 4.093 1.00 18.68 O ATOM 1077 CB HIS B 31 -10.156 32.392 2.006 1.00 20.42 C ATOM 1078 CG HIS B 31 -9.209 33.377 2.628 1.00 21.58 C ATOM 1079 ND1 HIS B 31 -7.846 33.169 2.677 1.00 22.68 N ATOM 1080 CD2 HIS B 31 -9.433 34.562 3.241 1.00 20.61 C ATOM 1081 CE1 HIS B 31 -7.269 34.210 3.267 1.00 18.56 C ATOM 1082 NE2 HIS B 31 -8.212 35.059 3.628 1.00 20.87 N ATOM 1083 N TYR B 32 -10.640 31.382 5.323 1.00 18.80 N ATOM 1084 CA TYR B 32 -11.128 31.908 6.599 1.00 19.11 C ATOM 1085 C TYR B 32 -10.249 31.404 7.731 1.00 19.25 C ATOM 1086 O TYR B 32 -9.627 30.314 7.629 1.00 19.25 O ATOM 1087 CB TYR B 32 -12.581 31.497 6.878 1.00 20.62 C ATOM 1088 CG TYR B 32 -12.800 29.996 6.832 1.00 22.81 C ATOM 1089 CD1 TYR B 32 -12.758 29.230 7.997 1.00 25.65 C ATOM 1090 CD2 TYR B 32 -13.056 29.340 5.616 1.00 25.60 C ATOM 1091 CE1 TYR B 32 -12.939 27.850 7.948 1.00 29.35 C ATOM 1092 CE2 TYR B 32 -13.250 27.968 5.562 1.00 29.22 C ATOM 1093 CZ TYR B 32 -13.185 27.236 6.726 1.00 30.01 C ATOM 1094 OH TYR B 32 -13.385 25.883 6.688 1.00 33.52 O ATOM 1095 N VAL B 33 -10.209 32.205 8.784 1.00 19.00 N ATOM 1096 CA VAL B 33 -9.657 31.807 10.077 1.00 19.45 C ATOM 1097 C VAL B 33 -10.806 31.196 10.853 1.00 18.77 C ATOM 1098 O VAL B 33 -11.921 31.729 10.836 1.00 19.02 O ATOM 1099 CB VAL B 33 -9.145 33.043 10.844 1.00 19.21 C ATOM 1100 CG1 VAL B 33 -8.868 32.711 12.353 1.00 20.37 C ATOM 1101 CG2 VAL B 33 -7.908 33.583 10.186 1.00 20.90 C ATOM 1102 N SER B 34 -10.544 30.093 11.553 1.00 19.82 N ATOM 1103 CA SER B 34 -11.559 29.520 12.433 1.00 21.87 C ATOM 1104 C SER B 34 -10.858 28.881 13.630 1.00 21.93 C ATOM 1105 O SER B 34 -9.873 28.144 13.472 1.00 22.31 O ATOM 1106 CB SER B 34 -12.355 28.444 11.688 1.00 23.15 C ATOM 1107 OG SER B 34 -13.429 28.021 12.513 1.00 28.92 O ATOM 1108 N ALA B 35 -11.362 29.167 14.808 1.00 22.16 N ATOM 1109 CA ALA B 35 -10.840 28.537 16.018 1.00 22.48 C ATOM 1110 C ALA B 35 -11.974 28.416 17.028 1.00 22.50 C ATOM 1111 O ALA B 35 -12.913 29.209 17.030 1.00 20.98 O ATOM 1112 CB ALA B 35 -9.655 29.338 16.594 1.00 21.63 C ATOM 1113 N THR B 36 -11.880 27.396 17.875 1.00 23.19 N ATOM 1114 CA THR B 36 -12.875 27.152 18.896 1.00 25.76 C ATOM 1115 C THR B 36 -12.218 27.168 20.258 1.00 25.11 C ATOM 1116 O THR B 36 -11.136 26.613 20.427 1.00 24.96 O ATOM 1117 CB THR B 36 -13.547 25.783 18.679 1.00 26.05 C ATOM 1118 OG1 THR B 36 -14.319 25.856 17.472 1.00 31.17 O ATOM 1119 CG2 THR B 36 -14.486 25.432 19.816 1.00 30.23 C ATOM 1120 N LYS B 37 -12.884 27.820 21.197 1.00 25.41 N ATOM 1121 CA LYS B 37 -12.503 27.814 22.604 1.00 26.80 C ATOM 1122 C LYS B 37 -11.084 28.363 22.808 1.00 26.13 C ATOM 1123 O LYS B 37 -10.192 27.660 23.299 1.00 27.31 O ATOM 1124 CB LYS B 37 -12.671 26.379 23.154 1.00 27.70 C ATOM 1125 CG LYS B 37 -13.265 26.336 24.516 1.00 33.26 C ATOM 1126 CD LYS B 37 -13.770 24.929 24.853 1.00 39.02 C ATOM 1127 CE LYS B 37 -13.785 24.731 26.363 1.00 43.95 C ATOM 1128 NZ LYS B 37 -14.301 25.945 27.104 1.00 47.66 N ATOM 1129 N VAL B 38 -10.871 29.620 22.403 1.00 24.88 N ATOM 1130 CA VAL B 38 -9.590 30.293 22.565 1.00 23.54 C ATOM 1131 C VAL B 38 -9.742 31.568 23.408 1.00 23.34 C ATOM 1132 O VAL B 38 -10.820 32.122 23.512 1.00 23.16 O ATOM 1133 CB VAL B 38 -8.894 30.598 21.175 1.00 24.17 C ATOM 1134 CG1 VAL B 38 -8.530 29.304 20.462 1.00 23.96 C ATOM 1135 CG2 VAL B 38 -9.797 31.444 20.285 1.00 22.29 C ATOM 1136 N LYS B 39 -8.643 32.012 24.015 1.00 22.70 N ATOM 1137 CA LYS B 39 -8.597 33.244 24.783 1.00 23.77 C ATOM 1138 C LYS B 39 -7.428 34.098 24.257 1.00 22.46 C ATOM 1139 O LYS B 39 -6.382 33.554 23.942 1.00 22.20 O ATOM 1140 CB LYS B 39 -8.303 32.879 26.244 1.00 24.60 C ATOM 1141 CG LYS B 39 -8.708 33.898 27.253 1.00 29.66 C ATOM 1142 CD LYS B 39 -8.764 33.218 28.658 1.00 33.61 C ATOM 1143 CE LYS B 39 -8.642 34.243 29.751 1.00 39.29 C ATOM 1144 NZ LYS B 39 -7.260 34.833 29.852 1.00 42.67 N ATOM 1145 N SER B 40 -7.590 35.420 24.214 1.00 22.76 N ATOM 1146 CA SER B 40 -6.561 36.288 23.647 1.00 23.47 C ATOM 1147 C SER B 40 -5.260 36.200 24.466 1.00 24.39 C ATOM 1148 O SER B 40 -5.300 36.001 25.676 1.00 23.85 O ATOM 1149 CB SER B 40 -7.049 37.730 23.529 1.00 23.21 C ATOM 1150 OG SER B 40 -7.192 38.360 24.804 1.00 26.13 O ATOM 1151 N VAL B 41 -4.130 36.332 23.803 1.00 24.04 N ATOM 1152 CA VAL B 41 -2.819 36.239 24.485 1.00 25.55 C ATOM 1153 C VAL B 41 -2.034 37.560 24.480 1.00 26.23 C ATOM 1154 O VAL B 41 -1.077 37.733 25.246 1.00 26.27 O ATOM 1155 CB VAL B 41 -1.971 35.059 23.923 1.00 24.81 C ATOM 1156 CG1 VAL B 41 -2.697 33.729 24.118 1.00 25.30 C ATOM 1157 CG2 VAL B 41 -1.638 35.276 22.421 1.00 26.23 C ATOM 1158 N ASP B 42 -2.442 38.504 23.637 1.00 26.67 N ATOM 1159 CA ASP B 42 -1.708 39.769 23.481 1.00 28.16 C ATOM 1160 C ASP B 42 -2.626 40.805 22.819 1.00 28.25 C ATOM 1161 O ASP B 42 -3.785 40.494 22.480 1.00 26.22 O ATOM 1162 CB ASP B 42 -0.471 39.523 22.602 1.00 28.62 C ATOM 1163 CG ASP B 42 0.661 40.496 22.864 1.00 33.68 C ATOM 1164 OD1 ASP B 42 0.517 41.453 23.684 1.00 36.76 O ATOM 1165 OD2 ASP B 42 1.729 40.291 22.223 1.00 37.94 O ATOM 1166 N LYS B 43 -2.096 42.026 22.672 1.00 28.90 N ATOM 1167 CA LYS B 43 -2.711 43.126 21.923 1.00 29.80 C ATOM 1168 C LYS B 43 -1.574 43.895 21.237 1.00 30.54 C ATOM 1169 O LYS B 43 -0.417 43.857 21.691 1.00 31.09 O ATOM 1170 CB LYS B 43 -3.481 44.058 22.867 1.00 30.40 C ATOM 1171 CG LYS B 43 -4.571 43.327 23.704 1.00 31.60 C ATOM 1172 CD LYS B 43 -5.160 44.150 24.858 1.00 32.61 C ATOM 1173 CE LYS B 43 -5.597 45.529 24.387 1.00 34.91 C ATOM 1174 NZ LYS B 43 -6.706 45.403 23.390 1.00 32.36 N ATOM 1175 N PHE B 44 -1.887 44.583 20.144 1.00 29.71 N ATOM 1176 CA PHE B 44 -0.945 45.533 19.570 1.00 29.84 C ATOM 1177 C PHE B 44 -1.439 46.914 20.008 1.00 30.10 C ATOM 1178 O PHE B 44 -0.866 47.529 20.921 1.00 29.65 O ATOM 1179 CB PHE B 44 -0.820 45.330 18.034 1.00 30.20 C ATOM 1180 CG PHE B 44 -0.182 46.490 17.299 1.00 31.10 C ATOM 1181 CD1 PHE B 44 -0.695 46.903 16.063 1.00 32.26 C ATOM 1182 CD2 PHE B 44 0.915 47.174 17.836 1.00 32.48 C ATOM 1183 CE1 PHE B 44 -0.133 47.987 15.374 1.00 32.98 C ATOM 1184 CE2 PHE B 44 1.484 48.259 17.159 1.00 34.98 C ATOM 1185 CZ PHE B 44 0.962 48.663 15.920 1.00 35.08 C ATOM 1186 N LEU B 45 -2.539 47.371 19.423 1.00 28.73 N ATOM 1187 CA LEU B 45 -3.156 48.627 19.844 1.00 28.39 C ATOM 1188 C LEU B 45 -4.369 48.359 20.744 1.00 27.55 C ATOM 1189 O LEU B 45 -4.808 47.213 20.865 1.00 27.56 O ATOM 1190 CB LEU B 45 -3.566 49.447 18.623 1.00 28.72 C ATOM 1191 CG LEU B 45 -2.432 49.914 17.687 1.00 29.99 C ATOM 1192 CD1 LEU B 45 -3.019 50.448 16.380 1.00 29.60 C ATOM 1193 CD2 LEU B 45 -1.538 50.959 18.367 1.00 32.33 C ATOM 1194 N ALA B 46 -4.880 49.411 21.373 1.00 26.21 N ATOM 1195 CA ALA B 46 -6.014 49.316 22.307 1.00 25.83 C ATOM 1196 C ALA B 46 -7.240 48.591 21.731 1.00 24.83 C ATOM 1197 O ALA B 46 -8.016 47.982 22.464 1.00 24.17 O ATOM 1198 CB ALA B 46 -6.433 50.717 22.741 1.00 26.30 C ATOM 1199 N HIS B 47 -7.421 48.663 20.418 1.00 24.17 N ATOM 1200 CA HIS B 47 -8.656 48.125 19.842 1.00 24.30 C ATOM 1201 C HIS B 47 -8.442 46.759 19.206 1.00 23.74 C ATOM 1202 O HIS B 47 -9.336 46.283 18.512 1.00 23.63 O ATOM 1203 CB HIS B 47 -9.220 49.095 18.806 1.00 24.58 C ATOM 1204 CG HIS B 47 -8.356 49.211 17.597 1.00 26.53 C ATOM 1205 ND1 HIS B 47 -7.282 50.070 17.537 1.00 32.33 N ATOM 1206 CD2 HIS B 47 -8.366 48.535 16.421 1.00 30.60 C ATOM 1207 CE1 HIS B 47 -6.676 49.935 16.366 1.00 31.70 C ATOM 1208 NE2 HIS B 47 -7.310 49.004 15.673 1.00 32.91 N ATOM 1209 N ASP B 48 -7.289 46.123 19.414 1.00 23.19 N ATOM 1210 CA ASP B 48 -7.089 44.811 18.802 1.00 24.43 C ATOM 1211 C ASP B 48 -6.799 43.700 19.796 1.00 23.91 C ATOM 1212 O ASP B 48 -6.465 43.990 20.960 1.00 24.22 O ATOM 1213 CB ASP B 48 -6.070 44.855 17.642 1.00 25.16 C ATOM 1214 CG ASP B 48 -4.668 45.050 18.098 1.00 28.06 C ATOM 1215 OD1 ASP B 48 -4.027 46.041 17.637 1.00 30.29 O ATOM 1216 OD2 ASP B 48 -4.184 44.210 18.909 1.00 33.11 O ATOM 1217 N LEU B 49 -6.989 42.447 19.362 1.00 21.40 N ATOM 1218 CA LEU B 49 -6.700 41.267 20.172 1.00 21.54 C ATOM 1219 C LEU B 49 -5.901 40.255 19.362 1.00 21.65 C ATOM 1220 O LEU B 49 -6.189 40.016 18.177 1.00 21.10 O ATOM 1221 CB LEU B 49 -8.007 40.606 20.658 1.00 20.16 C ATOM 1222 CG LEU B 49 -8.877 41.398 21.631 1.00 22.07 C ATOM 1223 CD1 LEU B 49 -10.185 40.681 21.906 1.00 20.65 C ATOM 1224 CD2 LEU B 49 -8.101 41.622 22.950 1.00 23.50 C ATOM 1225 N ILE B 50 -4.914 39.630 19.991 1.00 21.79 N ATOM 1226 CA ILE B 50 -4.125 38.612 19.314 1.00 22.01 C ATOM 1227 C ILE B 50 -4.417 37.238 19.900 1.00 22.38 C ATOM 1228 O ILE B 50 -4.488 37.089 21.128 1.00 22.40 O ATOM 1229 CB ILE B 50 -2.619 38.973 19.374 1.00 22.85 C ATOM 1230 CG1 ILE B 50 -2.384 40.303 18.614 1.00 24.25 C ATOM 1231 CG2 ILE B 50 -1.784 37.835 18.837 1.00 24.03 C ATOM 1232 CD1 ILE B 50 -0.982 40.906 18.773 1.00 28.50 C ATOM 1233 N TYR B 51 -4.586 36.250 19.021 1.00 21.22 N ATOM 1234 CA TYR B 51 -4.907 34.866 19.402 1.00 21.96 C ATOM 1235 C TYR B 51 -3.854 33.905 18.859 1.00 22.59 C ATOM 1236 O TYR B 51 -3.296 34.120 17.781 1.00 22.38 O ATOM 1237 CB TYR B 51 -6.300 34.443 18.873 1.00 21.12 C ATOM 1238 CG TYR B 51 -7.436 35.130 19.578 1.00 20.77 C ATOM 1239 CD1 TYR B 51 -7.886 36.380 19.158 1.00 21.21 C ATOM 1240 CD2 TYR B 51 -8.057 34.541 20.683 1.00 19.99 C ATOM 1241 CE1 TYR B 51 -8.907 37.050 19.814 1.00 20.54 C ATOM 1242 CE2 TYR B 51 -9.110 35.188 21.336 1.00 21.63 C ATOM 1243 CZ TYR B 51 -9.518 36.453 20.914 1.00 19.25 C ATOM 1244 OH TYR B 51 -10.513 37.157 21.541 1.00 20.61 O ATOM 1245 N ASN B 52 -3.633 32.812 19.575 1.00 22.83 N ATOM 1246 CA ASN B 52 -2.813 31.731 19.059 1.00 24.18 C ATOM 1247 C ASN B 52 -3.716 30.806 18.251 1.00 24.85 C ATOM 1248 O ASN B 52 -4.444 29.988 18.815 1.00 24.92 O ATOM 1249 CB ASN B 52 -2.111 30.969 20.202 1.00 25.30 C ATOM 1250 CG ASN B 52 -0.958 31.751 20.791 1.00 27.01 C ATOM 1251 OD1 ASN B 52 -0.331 32.580 20.119 1.00 26.25 O ATOM 1252 ND2 ASN B 52 -0.670 31.497 22.059 1.00 26.86 N ATOM 1253 N ILE B 53 -3.714 30.990 16.931 1.00 23.60 N ATOM 1254 CA ILE B 53 -4.514 30.168 16.025 1.00 24.96 C ATOM 1255 C ILE B 53 -3.595 29.788 14.871 1.00 26.65 C ATOM 1256 O ILE B 53 -2.929 30.644 14.292 1.00 24.55 O ATOM 1257 CB ILE B 53 -5.756 30.902 15.488 1.00 24.71 C ATOM 1258 CG1 ILE B 53 -6.716 31.285 16.630 1.00 23.19 C ATOM 1259 CG2 ILE B 53 -6.508 30.034 14.413 1.00 25.10 C ATOM 1260 CD1 ILE B 53 -7.786 32.322 16.252 1.00 23.83 C ATOM 1261 N SER B 54 -3.557 28.499 14.568 1.00 28.77 N ATOM 1262 CA SER B 54 -2.706 28.013 13.503 1.00 31.87 C ATOM 1263 C SER B 54 -3.490 27.736 12.261 1.00 33.38 C ATOM 1264 O SER B 54 -4.626 27.256 12.306 1.00 34.03 O ATOM 1265 CB SER B 54 -1.970 26.756 13.940 1.00 32.14 C ATOM 1266 OG SER B 54 -0.906 27.126 14.785 1.00 35.34 O ATOM 1267 N ASP B 55 -2.852 28.047 11.145 1.00 35.56 N ATOM 1268 CA ASP B 55 -3.389 27.831 9.825 1.00 37.50 C ATOM 1269 C ASP B 55 -3.687 26.350 9.565 1.00 39.17 C ATOM 1270 O ASP B 55 -2.822 25.489 9.729 1.00 39.02 O ATOM 1271 CB ASP B 55 -2.395 28.389 8.811 1.00 37.49 C ATOM 1272 CG ASP B 55 -2.970 28.491 7.429 1.00 37.71 C ATOM 1273 OD1 ASP B 55 -2.202 28.844 6.509 1.00 35.11 O ATOM 1274 OD2 ASP B 55 -4.187 28.216 7.265 1.00 39.26 O ATOM 1275 N LYS B 56 -4.932 26.096 9.158 1.00 41.33 N ATOM 1276 CA LYS B 56 -5.474 24.759 8.909 1.00 43.91 C ATOM 1277 C LYS B 56 -5.715 24.514 7.425 1.00 44.66 C ATOM 1278 O LYS B 56 -6.358 23.530 7.047 1.00 45.56 O ATOM 1279 CB LYS B 56 -6.801 24.561 9.673 1.00 44.15 C ATOM 1280 CG LYS B 56 -6.671 24.308 11.176 1.00 46.40 C ATOM 1281 CD LYS B 56 -6.088 22.906 11.490 1.00 49.24 C ATOM 1282 CE LYS B 56 -5.946 22.664 13.005 1.00 51.02 C ATOM 1283 NZ LYS B 56 -4.986 23.634 13.658 1.00 51.96 N ATOM 1284 N LYS B 57 -5.225 25.423 6.589 1.00 45.18 N ATOM 1285 CA LYS B 57 -5.200 25.205 5.156 1.00 45.52 C ATOM 1286 C LYS B 57 -3.726 25.064 4.732 1.00 45.03 C ATOM 1287 O LYS B 57 -3.281 23.975 4.334 1.00 46.26 O ATOM 1288 CB LYS B 57 -5.909 26.356 4.433 1.00 46.05 C ATOM 1289 CG LYS B 57 -7.012 25.919 3.445 1.00 48.23 C ATOM 1290 CD LYS B 57 -8.374 25.669 4.150 1.00 50.71 C ATOM 1291 CE LYS B 57 -9.318 26.891 4.122 1.00 50.16 C ATOM 1292 NZ LYS B 57 -8.799 28.139 4.800 1.00 49.71 N ATOM 1293 N LEU B 58 -2.958 26.145 4.850 1.00 43.61 N ATOM 1294 CA LEU B 58 -1.513 26.101 4.583 1.00 41.71 C ATOM 1295 C LEU B 58 -0.791 26.241 5.918 1.00 40.60 C ATOM 1296 O LEU B 58 -1.380 25.934 6.960 1.00 41.06 O ATOM 1297 CB LEU B 58 -1.118 27.205 3.596 1.00 41.87 C ATOM 1298 CG LEU B 58 -1.824 27.062 2.244 1.00 42.29 C ATOM 1299 CD1 LEU B 58 -1.669 28.319 1.400 1.00 41.99 C ATOM 1300 CD2 LEU B 58 -1.304 25.821 1.502 1.00 43.03 C ATOM 1301 N LYS B 59 0.461 26.689 5.908 1.00 38.33 N ATOM 1302 CA LYS B 59 1.165 26.952 7.166 1.00 36.02 C ATOM 1303 C LYS B 59 1.634 28.401 7.205 1.00 33.31 C ATOM 1304 O LYS B 59 2.796 28.680 7.460 1.00 32.99 O ATOM 1305 CB LYS B 59 2.346 25.985 7.353 1.00 37.48 C ATOM 1306 CG LYS B 59 1.959 24.511 7.422 1.00 40.26 C ATOM 1307 CD LYS B 59 2.288 23.804 6.103 1.00 45.19 C ATOM 1308 CE LYS B 59 2.491 22.297 6.304 1.00 48.04 C ATOM 1309 NZ LYS B 59 1.216 21.510 6.165 1.00 48.69 N ATOM 1310 N ASN B 60 0.715 29.327 6.963 1.00 29.54 N ATOM 1311 CA ASN B 60 1.067 30.740 6.825 1.00 26.71 C ATOM 1312 C ASN B 60 1.098 31.520 8.134 1.00 25.37 C ATOM 1313 O ASN B 60 1.637 32.622 8.189 1.00 25.07 O ATOM 1314 CB ASN B 60 0.102 31.412 5.843 1.00 26.56 C ATOM 1315 CG ASN B 60 0.433 31.077 4.400 1.00 26.75 C ATOM 1316 OD1 ASN B 60 1.601 30.851 4.075 1.00 28.38 O ATOM 1317 ND2 ASN B 60 -0.571 31.037 3.534 1.00 23.39 N ATOM 1318 N TYR B 61 0.476 30.999 9.188 1.00 23.41 N ATOM 1319 CA TYR B 61 0.461 31.766 10.446 1.00 22.60 C ATOM 1320 C TYR B 61 0.238 30.850 11.646 1.00 22.74 C ATOM 1321 O TYR B 61 -0.305 29.746 11.500 1.00 22.22 O ATOM 1322 CB TYR B 61 -0.633 32.859 10.428 1.00 22.71 C ATOM 1323 CG TYR B 61 -2.046 32.298 10.224 1.00 22.27 C ATOM 1324 CD1 TYR B 61 -2.820 31.878 11.316 1.00 21.73 C ATOM 1325 CD2 TYR B 61 -2.588 32.176 8.946 1.00 21.44 C ATOM 1326 CE1 TYR B 61 -4.074 31.356 11.137 1.00 22.26 C ATOM 1327 CE2 TYR B 61 -3.861 31.646 8.754 1.00 23.85 C ATOM 1328 CZ TYR B 61 -4.597 31.245 9.854 1.00 24.93 C ATOM 1329 OH TYR B 61 -5.844 30.741 9.680 1.00 25.75 O ATOM 1330 N ASP B 62 0.638 31.346 12.817 1.00 22.88 N ATOM 1331 CA ASP B 62 0.324 30.712 14.102 1.00 24.27 C ATOM 1332 C ASP B 62 -0.260 31.697 15.094 1.00 23.82 C ATOM 1333 O ASP B 62 -0.607 31.306 16.217 1.00 23.77 O ATOM 1334 CB ASP B 62 1.555 30.026 14.714 1.00 26.33 C ATOM 1335 CG ASP B 62 2.765 30.908 14.735 1.00 31.57 C ATOM 1336 OD1 ASP B 62 3.743 30.546 14.047 1.00 41.03 O ATOM 1337 OD2 ASP B 62 2.771 31.955 15.429 1.00 39.58 O ATOM 1338 N LYS B 63 -0.332 32.966 14.701 1.00 21.90 N ATOM 1339 CA LYS B 63 -1.019 33.997 15.476 1.00 21.52 C ATOM 1340 C LYS B 63 -1.933 34.819 14.568 1.00 21.10 C ATOM 1341 O LYS B 63 -1.578 35.101 13.419 1.00 20.47 O ATOM 1342 CB LYS B 63 -0.021 34.941 16.145 1.00 23.06 C ATOM 1343 CG LYS B 63 0.824 34.275 17.235 1.00 26.28 C ATOM 1344 CD LYS B 63 1.576 35.334 18.031 1.00 31.23 C ATOM 1345 CE LYS B 63 2.549 34.669 18.993 1.00 36.05 C ATOM 1346 NZ LYS B 63 1.807 34.205 20.176 1.00 36.40 N ATOM 1347 N VAL B 64 -3.080 35.234 15.105 1.00 19.43 N ATOM 1348 CA VAL B 64 -4.038 36.067 14.370 1.00 19.34 C ATOM 1349 C VAL B 64 -4.331 37.318 15.192 1.00 20.11 C ATOM 1350 O VAL B 64 -4.666 37.213 16.395 1.00 19.80 O ATOM 1351 CB VAL B 64 -5.350 35.286 14.129 1.00 19.23 C ATOM 1352 CG1 VAL B 64 -6.435 36.189 13.479 1.00 19.99 C ATOM 1353 CG2 VAL B 64 -5.097 33.999 13.300 1.00 18.17 C ATOM 1354 N LYS B 65 -4.190 38.494 14.574 1.00 19.34 N ATOM 1355 CA LYS B 65 -4.624 39.732 15.190 1.00 18.71 C ATOM 1356 C LYS B 65 -6.001 40.082 14.655 1.00 19.99 C ATOM 1357 O LYS B 65 -6.196 40.242 13.423 1.00 17.97 O ATOM 1358 CB LYS B 65 -3.665 40.894 14.889 1.00 20.27 C ATOM 1359 CG LYS B 65 -4.219 42.252 15.349 1.00 21.08 C ATOM 1360 CD LYS B 65 -3.181 43.371 15.305 1.00 27.92 C ATOM 1361 CE LYS B 65 -2.718 43.587 13.883 1.00 28.68 C ATOM 1362 NZ LYS B 65 -3.204 44.849 13.290 1.00 29.62 N ATOM 1363 N THR B 66 -6.974 40.198 15.554 1.00 18.55 N ATOM 1364 CA THR B 66 -8.234 40.750 15.109 1.00 19.12 C ATOM 1365 C THR B 66 -8.462 42.184 15.619 1.00 19.28 C ATOM 1366 O THR B 66 -8.316 42.481 16.804 1.00 19.82 O ATOM 1367 CB THR B 66 -9.452 39.841 15.365 1.00 19.25 C ATOM 1368 OG1 THR B 66 -10.587 40.448 14.738 1.00 19.44 O ATOM 1369 CG2 THR B 66 -9.723 39.640 16.878 1.00 18.76 C ATOM 1370 N GLU B 67 -8.803 43.071 14.704 1.00 18.05 N ATOM 1371 CA GLU B 67 -9.061 44.465 15.065 1.00 19.31 C ATOM 1372 C GLU B 67 -10.553 44.672 15.269 1.00 19.07 C ATOM 1373 O GLU B 67 -11.365 44.267 14.416 1.00 18.97 O ATOM 1374 CB GLU B 67 -8.577 45.403 13.961 1.00 20.75 C ATOM 1375 CG GLU B 67 -7.130 45.714 14.039 1.00 24.76 C ATOM 1376 CD GLU B 67 -6.717 46.746 12.995 1.00 29.39 C ATOM 1377 OE1 GLU B 67 -7.008 47.950 13.198 1.00 30.72 O ATOM 1378 OE2 GLU B 67 -6.105 46.324 11.979 1.00 32.09 O ATOM 1379 N LEU B 68 -10.903 45.321 16.387 1.00 18.54 N ATOM 1380 CA LEU B 68 -12.277 45.695 16.703 1.00 19.30 C ATOM 1381 C LEU B 68 -12.479 47.201 16.492 1.00 19.19 C ATOM 1382 O LEU B 68 -11.497 47.935 16.357 1.00 19.82 O ATOM 1383 CB LEU B 68 -12.603 45.275 18.143 1.00 19.00 C ATOM 1384 CG LEU B 68 -12.405 43.732 18.167 1.00 22.91 C ATOM 1385 CD1 LEU B 68 -11.825 43.130 19.406 1.00 28.40 C ATOM 1386 CD2 LEU B 68 -13.662 42.979 17.672 1.00 23.17 C ATOM 1387 N LEU B 69 -13.732 47.631 16.480 1.00 18.94 N ATOM 1388 CA LEU B 69 -14.089 49.014 16.182 1.00 19.35 C ATOM 1389 C LEU B 69 -13.374 49.977 17.129 1.00 20.32 C ATOM 1390 O LEU B 69 -12.881 51.029 16.706 1.00 20.09 O ATOM 1391 CB LEU B 69 -15.596 49.205 16.283 1.00 21.18 C ATOM 1392 CG LEU B 69 -16.147 50.569 15.849 1.00 20.40 C ATOM 1393 CD1 LEU B 69 -15.782 50.911 14.417 1.00 21.96 C ATOM 1394 CD2 LEU B 69 -17.645 50.617 16.053 1.00 23.76 C ATOM 1395 N ASN B 70 -13.312 49.604 18.408 1.00 19.19 N ATOM 1396 CA ASN B 70 -12.715 50.515 19.418 1.00 19.50 C ATOM 1397 C ASN B 70 -12.265 49.732 20.644 1.00 20.13 C ATOM 1398 O ASN B 70 -12.473 48.528 20.732 1.00 19.42 O ATOM 1399 CB ASN B 70 -13.683 51.664 19.766 1.00 19.34 C ATOM 1400 CG ASN B 70 -15.000 51.180 20.382 1.00 20.36 C ATOM 1401 OD1 ASN B 70 -15.020 50.315 21.271 1.00 21.08 O ATOM 1402 ND2 ASN B 70 -16.101 51.745 19.917 1.00 19.39 N ATOM 1403 N GLU B 71 -11.654 50.419 21.615 1.00 20.43 N ATOM 1404 CA GLU B 71 -11.053 49.694 22.717 1.00 21.84 C ATOM 1405 C GLU B 71 -12.109 49.045 23.611 1.00 20.63 C ATOM 1406 O GLU B 71 -11.821 48.058 24.261 1.00 21.15 O ATOM 1407 CB GLU B 71 -10.130 50.607 23.533 1.00 22.96 C ATOM 1408 CG GLU B 71 -10.894 51.656 24.330 1.00 29.08 C ATOM 1409 CD GLU B 71 -10.007 52.425 25.347 1.00 34.46 C ATOM 1410 OE1 GLU B 71 -10.555 53.343 26.014 1.00 35.91 O ATOM 1411 OE2 GLU B 71 -8.786 52.107 25.454 1.00 35.98 O ATOM 1412 N ASP B 72 -13.313 49.606 23.643 1.00 21.11 N ATOM 1413 CA ASP B 72 -14.361 49.035 24.489 1.00 22.10 C ATOM 1414 C ASP B 72 -14.849 47.711 23.966 1.00 21.95 C ATOM 1415 O ASP B 72 -15.116 46.784 24.738 1.00 22.10 O ATOM 1416 CB ASP B 72 -15.473 50.033 24.709 1.00 21.52 C ATOM 1417 CG ASP B 72 -15.045 51.121 25.669 1.00 23.15 C ATOM 1418 OD1 ASP B 72 -14.530 50.758 26.749 1.00 24.75 O ATOM 1419 OD2 ASP B 72 -15.184 52.301 25.325 1.00 22.83 O ATOM 1420 N LEU B 73 -14.892 47.590 22.645 1.00 20.86 N ATOM 1421 CA LEU B 73 -15.209 46.302 22.038 1.00 21.11 C ATOM 1422 C LEU B 73 -14.100 45.277 22.257 1.00 20.43 C ATOM 1423 O LEU B 73 -14.373 44.090 22.514 1.00 21.36 O ATOM 1424 CB LEU B 73 -15.553 46.496 20.555 1.00 21.24 C ATOM 1425 CG LEU B 73 -16.258 45.350 19.803 1.00 23.86 C ATOM 1426 CD1 LEU B 73 -17.435 44.745 20.561 1.00 25.83 C ATOM 1427 CD2 LEU B 73 -16.694 45.857 18.434 1.00 22.42 C ATOM 1428 N ALA B 74 -12.847 45.715 22.185 1.00 20.32 N ATOM 1429 CA ALA B 74 -11.730 44.823 22.491 1.00 20.92 C ATOM 1430 C ALA B 74 -11.810 44.350 23.967 1.00 21.36 C ATOM 1431 O ALA B 74 -11.610 43.155 24.259 1.00 21.18 O ATOM 1432 CB ALA B 74 -10.414 45.492 22.198 1.00 21.45 C ATOM 1433 N LYS B 75 -12.168 45.270 24.871 1.00 21.34 N ATOM 1434 CA LYS B 75 -12.259 44.942 26.307 1.00 22.48 C ATOM 1435 C LYS B 75 -13.376 43.931 26.585 1.00 22.96 C ATOM 1436 O LYS B 75 -13.271 43.102 27.508 1.00 23.08 O ATOM 1437 CB LYS B 75 -12.483 46.201 27.137 1.00 22.13 C ATOM 1438 CG LYS B 75 -11.188 46.961 27.461 1.00 24.59 C ATOM 1439 CD LYS B 75 -11.498 48.300 28.132 1.00 28.37 C ATOM 1440 CE LYS B 75 -10.185 49.054 28.329 1.00 29.11 C ATOM 1441 NZ LYS B 75 -10.341 50.151 29.303 1.00 29.17 N ATOM 1442 N LYS B 76 -14.427 43.995 25.787 1.00 22.57 N ATOM 1443 CA LYS B 76 -15.533 43.034 25.876 1.00 22.99 C ATOM 1444 C LYS B 76 -15.024 41.591 25.777 1.00 23.48 C ATOM 1445 O LYS B 76 -15.466 40.735 26.547 1.00 23.37 O ATOM 1446 CB LYS B 76 -16.598 43.336 24.826 1.00 23.76 C ATOM 1447 CG LYS B 76 -17.818 42.404 24.850 1.00 23.80 C ATOM 1448 CD LYS B 76 -18.869 42.933 23.906 1.00 30.22 C ATOM 1449 CE LYS B 76 -20.098 42.034 23.906 1.00 32.78 C ATOM 1450 NZ LYS B 76 -21.114 42.591 22.983 1.00 38.50 N ATOM 1451 N TYR B 77 -14.074 41.336 24.867 1.00 22.58 N ATOM 1452 CA TYR B 77 -13.638 39.975 24.549 1.00 22.70 C ATOM 1453 C TYR B 77 -12.279 39.587 25.107 1.00 23.05 C ATOM 1454 O TYR B 77 -11.920 38.436 25.089 1.00 23.14 O ATOM 1455 CB TYR B 77 -13.667 39.748 23.028 1.00 23.75 C ATOM 1456 CG TYR B 77 -15.059 39.839 22.456 1.00 24.00 C ATOM 1457 CD1 TYR B 77 -15.453 40.925 21.678 1.00 25.58 C ATOM 1458 CD2 TYR B 77 -16.000 38.855 22.744 1.00 26.87 C ATOM 1459 CE1 TYR B 77 -16.765 41.009 21.166 1.00 27.72 C ATOM 1460 CE2 TYR B 77 -17.305 38.931 22.248 1.00 28.54 C ATOM 1461 CZ TYR B 77 -17.669 40.010 21.471 1.00 30.04 C ATOM 1462 OH TYR B 77 -18.954 40.056 20.991 1.00 33.22 O ATOM 1463 N LYS B 78 -11.515 40.544 25.610 1.00 23.66 N ATOM 1464 CA LYS B 78 -10.123 40.260 25.934 1.00 25.57 C ATOM 1465 C LYS B 78 -9.915 38.982 26.776 1.00 26.36 C ATOM 1466 O LYS B 78 -9.122 38.115 26.420 1.00 25.96 O ATOM 1467 CB LYS B 78 -9.499 41.472 26.627 1.00 25.60 C ATOM 1468 CG LYS B 78 -8.054 41.259 26.991 1.00 27.66 C ATOM 1469 CD LYS B 78 -7.583 42.421 27.841 1.00 32.67 C ATOM 1470 CE LYS B 78 -6.419 42.026 28.744 1.00 36.22 C ATOM 1471 NZ LYS B 78 -5.220 41.633 27.976 1.00 41.26 N ATOM 1472 N ASP B 79 -10.645 38.855 27.874 1.00 27.89 N ATOM 1473 CA ASP B 79 -10.398 37.707 28.757 1.00 29.91 C ATOM 1474 C ASP B 79 -11.439 36.614 28.663 1.00 29.90 C ATOM 1475 O ASP B 79 -11.575 35.788 29.580 1.00 30.50 O ATOM 1476 CB ASP B 79 -10.261 38.204 30.193 1.00 30.60 C ATOM 1477 CG ASP B 79 -8.984 38.980 30.398 1.00 34.78 C ATOM 1478 OD1 ASP B 79 -7.937 38.537 29.859 1.00 36.74 O ATOM 1479 OD2 ASP B 79 -9.037 40.037 31.081 1.00 40.23 O ATOM 1480 N GLU B 80 -12.177 36.601 27.560 1.00 28.46 N ATOM 1481 CA GLU B 80 -13.248 35.643 27.386 1.00 27.81 C ATOM 1482 C GLU B 80 -12.761 34.476 26.565 1.00 26.22 C ATOM 1483 O GLU B 80 -11.886 34.624 25.704 1.00 24.62 O ATOM 1484 CB GLU B 80 -14.420 36.298 26.671 1.00 28.42 C ATOM 1485 CG GLU B 80 -15.212 37.222 27.550 1.00 36.09 C ATOM 1486 CD GLU B 80 -15.881 36.473 28.710 1.00 44.41 C ATOM 1487 OE1 GLU B 80 -15.654 36.871 29.877 1.00 47.33 O ATOM 1488 OE2 GLU B 80 -16.598 35.471 28.450 1.00 47.10 O ATOM 1489 N VAL B 81 -13.333 33.305 26.839 1.00 24.20 N ATOM 1490 CA VAL B 81 -13.146 32.144 25.994 1.00 23.11 C ATOM 1491 C VAL B 81 -14.123 32.286 24.837 1.00 22.36 C ATOM 1492 O VAL B 81 -15.350 32.341 25.032 1.00 21.55 O ATOM 1493 CB VAL B 81 -13.366 30.837 26.772 1.00 23.39 C ATOM 1494 CG1 VAL B 81 -13.302 29.639 25.835 1.00 24.89 C ATOM 1495 CG2 VAL B 81 -12.293 30.737 27.857 1.00 24.50 C ATOM 1496 N VAL B 82 -13.560 32.387 23.631 1.00 20.77 N ATOM 1497 CA VAL B 82 -14.362 32.717 22.468 1.00 18.56 C ATOM 1498 C VAL B 82 -14.114 31.697 21.343 1.00 18.40 C ATOM 1499 O VAL B 82 -13.209 30.864 21.410 1.00 19.03 O ATOM 1500 CB VAL B 82 -14.043 34.155 21.927 1.00 18.98 C ATOM 1501 CG1 VAL B 82 -14.356 35.256 22.972 1.00 19.10 C ATOM 1502 CG2 VAL B 82 -12.560 34.250 21.481 1.00 17.82 C ATOM 1503 N ASP B 83 -14.959 31.794 20.321 1.00 18.53 N ATOM 1504 CA ASP B 83 -14.704 31.196 19.026 1.00 18.79 C ATOM 1505 C ASP B 83 -14.441 32.358 18.064 1.00 17.65 C ATOM 1506 O ASP B 83 -14.900 33.464 18.288 1.00 18.87 O ATOM 1507 CB ASP B 83 -15.952 30.481 18.548 1.00 17.81 C ATOM 1508 CG ASP B 83 -16.428 29.417 19.536 1.00 20.57 C ATOM 1509 OD1 ASP B 83 -15.572 28.782 20.193 1.00 22.17 O ATOM 1510 OD2 ASP B 83 -17.655 29.234 19.586 1.00 23.48 O ATOM 1511 N VAL B 84 -13.747 32.053 16.989 1.00 18.47 N ATOM 1512 CA VAL B 84 -13.305 33.075 16.023 1.00 18.70 C ATOM 1513 C VAL B 84 -13.618 32.547 14.635 1.00 17.87 C ATOM 1514 O VAL B 84 -13.345 31.390 14.319 1.00 18.40 O ATOM 1515 CB VAL B 84 -11.788 33.339 16.136 1.00 19.50 C ATOM 1516 CG1 VAL B 84 -11.290 34.343 15.047 1.00 20.30 C ATOM 1517 CG2 VAL B 84 -11.397 33.844 17.560 1.00 18.50 C ATOM 1518 N TYR B 85 -14.151 33.428 13.782 1.00 18.38 N ATOM 1519 CA TYR B 85 -14.384 33.077 12.376 1.00 17.34 C ATOM 1520 C TYR B 85 -14.302 34.357 11.559 1.00 16.25 C ATOM 1521 O TYR B 85 -15.040 35.305 11.804 1.00 16.37 O ATOM 1522 CB TYR B 85 -15.756 32.430 12.177 1.00 18.19 C ATOM 1523 CG TYR B 85 -15.900 31.760 10.829 1.00 19.30 C ATOM 1524 CD1 TYR B 85 -15.913 30.363 10.720 1.00 20.67 C ATOM 1525 CD2 TYR B 85 -15.988 32.514 9.650 1.00 19.09 C ATOM 1526 CE1 TYR B 85 -16.031 29.733 9.483 1.00 22.61 C ATOM 1527 CE2 TYR B 85 -16.115 31.888 8.394 1.00 21.75 C ATOM 1528 CZ TYR B 85 -16.129 30.501 8.331 1.00 22.51 C ATOM 1529 OH TYR B 85 -16.242 29.878 7.120 1.00 20.81 O ATOM 1530 N GLY B 86 -13.385 34.418 10.600 1.00 16.56 N ATOM 1531 CA GLY B 86 -13.365 35.618 9.757 1.00 15.79 C ATOM 1532 C GLY B 86 -12.421 35.491 8.576 1.00 15.80 C ATOM 1533 O GLY B 86 -11.739 34.488 8.431 1.00 16.07 O ATOM 1534 N SER B 87 -12.415 36.520 7.727 1.00 14.92 N ATOM 1535 CA SER B 87 -11.599 36.532 6.545 1.00 15.62 C ATOM 1536 C SER B 87 -10.279 37.271 6.848 1.00 15.79 C ATOM 1537 O SER B 87 -10.291 38.415 7.270 1.00 15.81 O ATOM 1538 CB SER B 87 -12.342 37.257 5.400 1.00 14.18 C ATOM 1539 OG SER B 87 -11.489 37.275 4.250 1.00 16.07 O ATOM 1540 N ASN B 88 -9.146 36.621 6.609 1.00 16.59 N ATOM 1541 CA ASN B 88 -7.851 37.190 7.023 1.00 15.92 C ATOM 1542 C ASN B 88 -7.064 37.718 5.807 1.00 17.06 C ATOM 1543 O ASN B 88 -7.321 37.303 4.663 1.00 17.32 O ATOM 1544 CB ASN B 88 -6.988 36.150 7.768 1.00 16.30 C ATOM 1545 CG ASN B 88 -6.735 34.882 6.957 1.00 17.13 C ATOM 1546 OD1 ASN B 88 -7.667 34.167 6.565 1.00 19.21 O ATOM 1547 ND2 ASN B 88 -5.456 34.569 6.740 1.00 18.22 N ATOM 1548 N TYR B 89 -6.109 38.606 6.062 1.00 16.82 N ATOM 1549 CA TYR B 89 -5.304 39.185 4.981 1.00 17.31 C ATOM 1550 C TYR B 89 -3.849 39.310 5.442 1.00 17.91 C ATOM 1551 O TYR B 89 -3.545 39.199 6.654 1.00 18.15 O ATOM 1552 CB TYR B 89 -5.873 40.555 4.547 1.00 17.65 C ATOM 1553 CG TYR B 89 -5.797 41.601 5.646 1.00 17.50 C ATOM 1554 CD1 TYR B 89 -6.790 41.686 6.643 1.00 16.39 C ATOM 1555 CD2 TYR B 89 -4.705 42.474 5.708 1.00 19.00 C ATOM 1556 CE1 TYR B 89 -6.679 42.634 7.684 1.00 17.22 C ATOM 1557 CE2 TYR B 89 -4.588 43.433 6.715 1.00 19.88 C ATOM 1558 CZ TYR B 89 -5.575 43.498 7.710 1.00 21.97 C ATOM 1559 OH TYR B 89 -5.429 44.430 8.723 1.00 21.51 O ATOM 1560 N TYR B 90 -2.967 39.566 4.491 1.00 18.42 N ATOM 1561 CA TYR B 90 -1.526 39.588 4.795 1.00 19.51 C ATOM 1562 C TYR B 90 -0.890 40.863 4.325 1.00 21.00 C ATOM 1563 O TYR B 90 -0.029 41.403 5.009 1.00 20.62 O ATOM 1564 CB TYR B 90 -0.823 38.394 4.173 1.00 19.09 C ATOM 1565 CG TYR B 90 -1.305 37.050 4.645 1.00 20.18 C ATOM 1566 CD1 TYR B 90 -2.306 36.374 3.969 1.00 18.47 C ATOM 1567 CD2 TYR B 90 -0.732 36.423 5.780 1.00 20.31 C ATOM 1568 CE1 TYR B 90 -2.740 35.093 4.388 1.00 20.23 C ATOM 1569 CE2 TYR B 90 -1.159 35.166 6.183 1.00 17.49 C ATOM 1570 CZ TYR B 90 -2.150 34.512 5.505 1.00 19.35 C ATOM 1571 OH TYR B 90 -2.556 33.269 5.934 1.00 21.65 O ATOM 1572 N VAL B 91 -1.338 41.378 3.181 1.00 20.54 N ATOM 1573 CA VAL B 91 -0.788 42.618 2.681 1.00 21.66 C ATOM 1574 C VAL B 91 -1.192 43.766 3.621 1.00 22.56 C ATOM 1575 O VAL B 91 -2.378 44.004 3.892 1.00 22.38 O ATOM 1576 CB VAL B 91 -1.171 42.863 1.187 1.00 21.11 C ATOM 1577 CG1 VAL B 91 -0.824 44.272 0.752 1.00 23.03 C ATOM 1578 CG2 VAL B 91 -0.486 41.816 0.295 1.00 20.63 C ATOM 1579 N ASN B 92 -0.187 44.466 4.132 1.00 23.23 N ATOM 1580 CA ASN B 92 -0.392 45.528 5.135 1.00 25.23 C ATOM 1581 C ASN B 92 -0.959 45.016 6.468 1.00 25.02 C ATOM 1582 O ASN B 92 -1.716 45.701 7.159 1.00 24.88 O ATOM 1583 CB ASN B 92 -1.211 46.673 4.575 1.00 26.34 C ATOM 1584 CG ASN B 92 -0.473 47.409 3.451 1.00 29.81 C ATOM 1585 OD1 ASN B 92 0.759 47.297 3.310 1.00 33.85 O ATOM 1586 ND2 ASN B 92 -1.219 48.152 2.648 1.00 33.62 N ATOM 1587 N CYS B 93 -0.590 43.784 6.784 1.00 25.88 N ATOM 1588 CA CYS B 93 -0.884 43.205 8.092 1.00 27.11 C ATOM 1589 C CYS B 93 0.313 43.581 8.961 1.00 28.17 C ATOM 1590 O CYS B 93 1.386 42.976 8.814 1.00 28.30 O ATOM 1591 CB CYS B 93 -1.021 41.695 7.983 1.00 26.24 C ATOM 1592 SG CYS B 93 -1.213 40.809 9.580 1.00 30.87 S ATOM 1593 N TYR B 94 0.115 44.569 9.836 1.00 29.09 N ATOM 1594 CA TYR B 94 1.224 45.211 10.582 1.00 30.42 C ATOM 1595 C TYR B 94 1.030 45.163 12.101 1.00 30.49 C ATOM 1596 O TYR B 94 -0.102 45.090 12.602 1.00 29.46 O ATOM 1597 CB TYR B 94 1.417 46.675 10.135 1.00 32.06 C ATOM 1598 CG TYR B 94 0.206 47.564 10.347 1.00 34.92 C ATOM 1599 CD1 TYR B 94 -0.634 47.903 9.272 1.00 37.91 C ATOM 1600 CD2 TYR B 94 -0.104 48.074 11.608 1.00 37.67 C ATOM 1601 CE1 TYR B 94 -1.768 48.724 9.461 1.00 40.49 C ATOM 1602 CE2 TYR B 94 -1.236 48.883 11.814 1.00 40.32 C ATOM 1603 CZ TYR B 94 -2.065 49.199 10.739 1.00 42.29 C ATOM 1604 OH TYR B 94 -3.177 50.000 10.959 1.00 42.12 O ATOM 1605 N PHE B 95 2.152 45.241 12.815 1.00 30.04 N ATOM 1606 CA PHE B 95 2.174 45.219 14.275 1.00 30.60 C ATOM 1607 C PHE B 95 3.155 46.285 14.775 1.00 31.57 C ATOM 1608 O PHE B 95 3.660 46.201 15.899 1.00 31.17 O ATOM 1609 CB PHE B 95 2.570 43.825 14.791 1.00 30.61 C ATOM 1610 CG PHE B 95 1.594 42.743 14.421 1.00 30.13 C ATOM 1611 CD1 PHE B 95 1.497 42.277 13.106 1.00 29.74 C ATOM 1612 CD2 PHE B 95 0.771 42.181 15.379 1.00 29.35 C ATOM 1613 CE1 PHE B 95 0.578 41.301 12.763 1.00 28.20 C ATOM 1614 CE2 PHE B 95 -0.138 41.197 15.046 1.00 29.76 C ATOM 1615 CZ PHE B 95 -0.243 40.753 13.725 1.00 26.51 C ATOM 1616 N SER B 96 3.407 47.284 13.929 1.00 32.24 N ATOM 1617 CA SER B 96 4.162 48.474 14.298 1.00 34.44 C ATOM 1618 C SER B 96 3.733 49.593 13.345 1.00 35.83 C ATOM 1619 O SER B 96 2.875 49.374 12.486 1.00 35.50 O ATOM 1620 CB SER B 96 5.681 48.210 14.247 1.00 33.70 C ATOM 1621 OG SER B 96 6.176 48.253 12.917 1.00 32.99 O ATOM 1622 N SER B 97 4.329 50.776 13.477 1.00 38.42 N ATOM 1623 CA SER B 97 3.915 51.926 12.662 1.00 40.78 C ATOM 1624 C SER B 97 4.320 51.889 11.170 1.00 41.48 C ATOM 1625 O SER B 97 3.733 52.617 10.363 1.00 41.84 O ATOM 1626 CB SER B 97 4.364 53.241 13.306 1.00 41.30 C ATOM 1627 OG SER B 97 5.763 53.432 13.151 1.00 45.09 O ATOM 1628 N LYS B 98 5.296 51.055 10.801 1.00 42.03 N ATOM 1629 CA LYS B 98 5.744 50.950 9.399 1.00 43.15 C ATOM 1630 C LYS B 98 4.825 50.009 8.604 1.00 43.20 C ATOM 1631 O LYS B 98 4.499 48.912 9.069 1.00 43.49 O ATOM 1632 CB LYS B 98 7.199 50.466 9.336 1.00 43.33 C ATOM 1633 CG LYS B 98 8.066 51.153 8.282 1.00 46.73 C ATOM 1634 CD LYS B 98 9.037 52.161 8.930 1.00 50.51 C ATOM 1635 CE LYS B 98 9.331 53.351 8.000 1.00 51.96 C ATOM 1636 NZ LYS B 98 10.564 54.110 8.387 1.00 53.15 N ATOM 1637 N ASP B 99 4.453 50.422 7.386 1.00 43.95 N ATOM 1638 CA ASP B 99 3.335 49.822 6.628 1.00 43.58 C ATOM 1639 C ASP B 99 3.590 48.419 6.028 1.00 42.24 C ATOM 1640 O ASP B 99 2.768 47.498 6.212 1.00 42.64 O ATOM 1641 CB ASP B 99 2.887 50.755 5.472 1.00 45.03 C ATOM 1642 CG ASP B 99 3.027 52.265 5.796 1.00 48.00 C ATOM 1643 OD1 ASP B 99 2.458 53.076 5.019 1.00 52.64 O ATOM 1644 OD2 ASP B 99 3.695 52.656 6.784 1.00 49.77 O ATOM 1645 N ASN B 100 4.711 48.298 5.302 1.00 39.56 N ATOM 1646 CA ASN B 100 5.069 47.160 4.430 1.00 37.29 C ATOM 1647 C ASN B 100 5.998 46.121 5.085 1.00 34.51 C ATOM 1648 O ASN B 100 6.650 45.349 4.376 1.00 34.68 O ATOM 1649 CB ASN B 100 5.840 47.673 3.192 1.00 38.31 C ATOM 1650 CG ASN B 100 5.024 48.628 2.318 1.00 41.81 C ATOM 1651 OD1 ASN B 100 4.147 49.349 2.804 1.00 47.03 O ATOM 1652 ND2 ASN B 100 5.324 48.644 1.019 1.00 45.15 N ATOM 1653 N VAL B 101 6.119 46.138 6.410 1.00 30.35 N ATOM 1654 CA VAL B 101 6.989 45.176 7.097 1.00 26.41 C ATOM 1655 C VAL B 101 6.344 43.791 7.017 1.00 24.87 C ATOM 1656 O VAL B 101 5.141 43.664 7.262 1.00 23.45 O ATOM 1657 CB VAL B 101 7.199 45.608 8.570 1.00 26.20 C ATOM 1658 CG1 VAL B 101 8.029 44.585 9.335 1.00 25.39 C ATOM 1659 CG2 VAL B 101 7.845 47.000 8.620 1.00 26.49 C ATOM 1660 N TRP B 102 7.115 42.760 6.670 1.00 21.52 N ATOM 1661 CA TRP B 102 6.624 41.371 6.779 1.00 20.52 C ATOM 1662 C TRP B 102 6.693 40.907 8.229 1.00 20.45 C ATOM 1663 O TRP B 102 7.749 41.029 8.869 1.00 19.80 O ATOM 1664 CB TRP B 102 7.451 40.426 5.895 1.00 21.42 C ATOM 1665 CG TRP B 102 6.914 38.992 5.841 1.00 20.11 C ATOM 1666 CD1 TRP B 102 5.620 38.609 5.648 1.00 22.06 C ATOM 1667 CD2 TRP B 102 7.677 37.782 5.960 1.00 22.10 C ATOM 1668 NE1 TRP B 102 5.528 37.228 5.638 1.00 21.75 N ATOM 1669 CE2 TRP B 102 6.774 36.700 5.843 1.00 21.51 C ATOM 1670 CE3 TRP B 102 9.038 37.508 6.180 1.00 23.32 C ATOM 1671 CZ2 TRP B 102 7.187 35.355 5.925 1.00 22.58 C ATOM 1672 CZ3 TRP B 102 9.453 36.176 6.272 1.00 23.04 C ATOM 1673 CH2 TRP B 102 8.526 35.113 6.125 1.00 24.31 C ATOM 1674 N TRP B 103 5.579 40.374 8.723 1.00 20.09 N ATOM 1675 CA TRP B 103 5.496 39.799 10.070 1.00 20.68 C ATOM 1676 C TRP B 103 5.267 38.306 9.887 1.00 20.58 C ATOM 1677 O TRP B 103 4.107 37.846 9.814 1.00 21.03 O ATOM 1678 CB TRP B 103 4.357 40.470 10.838 1.00 21.57 C ATOM 1679 CG TRP B 103 4.668 41.884 11.175 1.00 22.56 C ATOM 1680 CD1 TRP B 103 4.449 42.999 10.396 1.00 21.92 C ATOM 1681 CD2 TRP B 103 5.270 42.347 12.389 1.00 23.04 C ATOM 1682 NE1 TRP B 103 4.883 44.134 11.069 1.00 21.52 N ATOM 1683 CE2 TRP B 103 5.389 43.755 12.292 1.00 23.04 C ATOM 1684 CE3 TRP B 103 5.720 41.702 13.550 1.00 22.54 C ATOM 1685 CZ2 TRP B 103 5.936 44.543 13.335 1.00 23.82 C ATOM 1686 CZ3 TRP B 103 6.291 42.485 14.593 1.00 22.04 C ATOM 1687 CH2 TRP B 103 6.366 43.889 14.482 1.00 22.20 C ATOM 1688 N PRO B 104 6.361 37.522 9.772 1.00 19.93 N ATOM 1689 CA PRO B 104 6.174 36.075 9.582 1.00 20.55 C ATOM 1690 C PRO B 104 5.362 35.434 10.697 1.00 21.39 C ATOM 1691 O PRO B 104 5.494 35.819 11.871 1.00 21.56 O ATOM 1692 CB PRO B 104 7.605 35.499 9.574 1.00 20.67 C ATOM 1693 CG PRO B 104 8.513 36.631 10.053 1.00 21.23 C ATOM 1694 CD PRO B 104 7.780 37.923 9.823 1.00 20.27 C ATOM 1695 N GLY B 105 4.538 34.456 10.330 1.00 21.26 N ATOM 1696 CA GLY B 105 3.804 33.685 11.336 1.00 21.64 C ATOM 1697 C GLY B 105 2.543 34.367 11.822 1.00 21.76 C ATOM 1698 O GLY B 105 1.889 33.858 12.751 1.00 22.42 O ATOM 1699 N LYS B 106 2.200 35.516 11.217 1.00 20.92 N ATOM 1700 CA LYS B 106 1.056 36.324 11.635 1.00 20.76 C ATOM 1701 C LYS B 106 0.096 36.606 10.482 1.00 21.02 C ATOM 1702 O LYS B 106 0.514 36.739 9.343 1.00 21.14 O ATOM 1703 CB LYS B 106 1.521 37.659 12.238 1.00 22.16 C ATOM 1704 CG LYS B 106 2.310 37.482 13.570 1.00 23.98 C ATOM 1705 CD LYS B 106 2.793 38.840 14.122 1.00 28.72 C ATOM 1706 CE LYS B 106 3.545 38.685 15.460 1.00 31.19 C ATOM 1707 NZ LYS B 106 4.513 37.540 15.408 1.00 34.34 N ATOM 1708 N THR B 107 -1.188 36.694 10.802 1.00 20.23 N ATOM 1709 CA THR B 107 -2.199 37.179 9.856 1.00 18.98 C ATOM 1710 C THR B 107 -3.164 38.159 10.593 1.00 18.68 C ATOM 1711 O THR B 107 -3.167 38.249 11.844 1.00 17.63 O ATOM 1712 CB THR B 107 -2.891 35.998 9.134 1.00 19.61 C ATOM 1713 OG1 THR B 107 -3.609 36.477 7.976 1.00 19.06 O ATOM 1714 CG2 THR B 107 -3.891 35.272 10.065 1.00 19.16 C ATOM 1715 N CYS B 108 -3.958 38.916 9.832 1.00 16.60 N ATOM 1716 CA CYS B 108 -4.793 39.965 10.393 1.00 17.53 C ATOM 1717 C CYS B 108 -6.225 39.779 9.925 1.00 16.92 C ATOM 1718 O CYS B 108 -6.432 39.273 8.832 1.00 16.26 O ATOM 1719 CB CYS B 108 -4.298 41.309 9.893 1.00 18.11 C ATOM 1720 SG CYS B 108 -2.712 41.780 10.701 1.00 23.96 S ATOM 1721 N MET B 109 -7.184 40.229 10.723 1.00 16.67 N ATOM 1722 CA MET B 109 -8.589 40.203 10.341 1.00 16.16 C ATOM 1723 C MET B 109 -9.303 41.248 11.173 1.00 16.34 C ATOM 1724 O MET B 109 -8.641 41.992 11.950 1.00 16.27 O ATOM 1725 CB MET B 109 -9.168 38.795 10.568 1.00 15.66 C ATOM 1726 CG MET B 109 -9.072 38.338 12.064 1.00 18.81 C ATOM 1727 SD MET B 109 -9.879 36.738 12.316 1.00 21.43 S ATOM 1728 CE MET B 109 -11.618 37.179 12.504 1.00 19.12 C ATOM 1729 N TYR B 110 -10.621 41.340 11.002 1.00 15.39 N ATOM 1730 CA TYR B 110 -11.421 42.263 11.795 1.00 15.54 C ATOM 1731 C TYR B 110 -12.578 41.486 12.424 1.00 15.88 C ATOM 1732 O TYR B 110 -13.089 40.552 11.817 1.00 16.15 O ATOM 1733 CB TYR B 110 -12.004 43.351 10.901 1.00 17.16 C ATOM 1734 CG TYR B 110 -10.965 44.256 10.287 1.00 17.00 C ATOM 1735 CD1 TYR B 110 -10.416 43.982 9.020 1.00 18.01 C ATOM 1736 CD2 TYR B 110 -10.540 45.384 10.965 1.00 19.69 C ATOM 1737 CE1 TYR B 110 -9.407 44.838 8.469 1.00 16.15 C ATOM 1738 CE2 TYR B 110 -9.548 46.237 10.427 1.00 20.94 C ATOM 1739 CZ TYR B 110 -9.010 45.953 9.177 1.00 20.72 C ATOM 1740 OH TYR B 110 -8.061 46.807 8.656 1.00 20.88 O ATOM 1741 N GLY B 111 -13.017 41.892 13.621 1.00 15.77 N ATOM 1742 CA GLY B 111 -14.166 41.259 14.291 1.00 17.60 C ATOM 1743 C GLY B 111 -14.063 39.740 14.395 1.00 16.26 C ATOM 1744 O GLY B 111 -13.002 39.182 14.698 1.00 16.85 O ATOM 1745 N GLY B 112 -15.173 39.079 14.078 1.00 15.92 N ATOM 1746 CA GLY B 112 -15.243 37.625 13.973 1.00 16.24 C ATOM 1747 C GLY B 112 -15.314 36.850 15.285 1.00 16.17 C ATOM 1748 O GLY B 112 -15.140 35.634 15.273 1.00 18.01 O ATOM 1749 N ILE B 113 -15.577 37.538 16.393 1.00 17.00 N ATOM 1750 CA ILE B 113 -15.476 36.919 17.747 1.00 18.18 C ATOM 1751 C ILE B 113 -16.842 36.736 18.393 1.00 18.96 C ATOM 1752 O ILE B 113 -17.681 37.651 18.390 1.00 19.88 O ATOM 1753 CB ILE B 113 -14.674 37.859 18.740 1.00 19.19 C ATOM 1754 CG1 ILE B 113 -13.347 38.307 18.163 1.00 21.36 C ATOM 1755 CG2 ILE B 113 -14.463 37.168 20.103 1.00 20.04 C ATOM 1756 CD1 ILE B 113 -12.426 37.221 17.770 1.00 26.06 C ATOM 1757 N THR B 114 -17.066 35.557 18.967 1.00 19.68 N ATOM 1758 CA THR B 114 -18.297 35.308 19.714 1.00 20.11 C ATOM 1759 C THR B 114 -17.947 34.526 20.990 1.00 20.82 C ATOM 1760 O THR B 114 -17.124 33.634 20.945 1.00 18.88 O ATOM 1761 CB THR B 114 -19.331 34.519 18.871 1.00 20.49 C ATOM 1762 OG1 THR B 114 -18.721 33.365 18.295 1.00 20.29 O ATOM 1763 CG2 THR B 114 -19.927 35.393 17.737 1.00 19.60 C ATOM 1764 N LYS B 115 -18.583 34.852 22.116 1.00 22.05 N ATOM 1765 CA LYS B 115 -18.392 34.032 23.334 1.00 24.53 C ATOM 1766 C LYS B 115 -18.667 32.563 23.054 1.00 24.09 C ATOM 1767 O LYS B 115 -19.578 32.234 22.302 1.00 24.53 O ATOM 1768 CB LYS B 115 -19.289 34.517 24.494 1.00 24.80 C ATOM 1769 CG LYS B 115 -19.133 35.985 24.864 1.00 30.46 C ATOM 1770 CD LYS B 115 -17.763 36.302 25.480 1.00 39.12 C ATOM 1771 CE LYS B 115 -17.540 37.823 25.631 1.00 41.94 C ATOM 1772 NZ LYS B 115 -17.760 38.352 27.024 1.00 45.61 N ATOM 1773 N HIS B 116 -17.880 31.677 23.654 1.00 24.73 N ATOM 1774 CA HIS B 116 -18.018 30.254 23.415 1.00 26.65 C ATOM 1775 C HIS B 116 -19.164 29.659 24.239 1.00 27.50 C ATOM 1776 O HIS B 116 -20.066 29.006 23.686 1.00 26.82 O ATOM 1777 CB HIS B 116 -16.714 29.513 23.735 1.00 26.84 C ATOM 1778 CG HIS B 116 -16.854 28.017 23.714 1.00 31.21 C ATOM 1779 ND1 HIS B 116 -16.671 27.267 22.576 1.00 32.91 N ATOM 1780 CD2 HIS B 116 -17.159 27.132 24.700 1.00 33.61 C ATOM 1781 CE1 HIS B 116 -16.863 25.985 22.854 1.00 34.66 C ATOM 1782 NE2 HIS B 116 -17.165 25.878 24.135 1.00 33.56 N ATOM 1783 N GLU B 117 -19.112 29.898 25.551 1.00 29.26 N ATOM 1784 CA GLU B 117 -20.044 29.257 26.498 1.00 31.02 C ATOM 1785 C GLU B 117 -21.474 29.642 26.229 1.00 29.93 C ATOM 1786 O GLU B 117 -21.804 30.822 26.108 1.00 29.94 O ATOM 1787 CB GLU B 117 -19.672 29.588 27.953 1.00 32.21 C ATOM 1788 CG GLU B 117 -18.263 29.139 28.336 1.00 38.64 C ATOM 1789 CD GLU B 117 -17.702 29.835 29.599 1.00 45.34 C ATOM 1790 OE1 GLU B 117 -18.285 29.625 30.701 1.00 47.64 O ATOM 1791 OE2 GLU B 117 -16.672 30.569 29.491 1.00 44.37 O ATOM 1792 N GLY B 118 -22.322 28.624 26.119 1.00 30.49 N ATOM 1793 CA GLY B 118 -23.764 28.814 25.950 1.00 30.44 C ATOM 1794 C GLY B 118 -24.197 29.161 24.533 1.00 30.61 C ATOM 1795 O GLY B 118 -25.386 29.437 24.296 1.00 31.01 O ATOM 1796 N ASN B 119 -23.242 29.164 23.595 1.00 30.40 N ATOM 1797 CA ASN B 119 -23.521 29.644 22.247 1.00 31.12 C ATOM 1798 C ASN B 119 -23.681 28.556 21.212 1.00 32.71 C ATOM 1799 O ASN B 119 -23.670 28.842 20.008 1.00 31.67 O ATOM 1800 CB ASN B 119 -22.456 30.638 21.749 1.00 29.79 C ATOM 1801 CG ASN B 119 -22.972 31.477 20.601 1.00 28.15 C ATOM 1802 OD1 ASN B 119 -24.117 31.949 20.636 1.00 23.17 O ATOM 1803 ND2 ASN B 119 -22.128 31.692 19.583 1.00 26.19 N ATOM 1804 N HIS B 120 -23.822 27.312 21.674 1.00 34.58 N ATOM 1805 CA HIS B 120 -23.946 26.179 20.778 1.00 37.22 C ATOM 1806 C HIS B 120 -25.244 25.419 20.971 1.00 39.70 C ATOM 1807 O HIS B 120 -25.900 25.529 22.018 1.00 39.83 O ATOM 1808 CB HIS B 120 -22.740 25.278 20.894 1.00 37.07 C ATOM 1809 CG HIS B 120 -21.481 25.968 20.506 1.00 37.55 C ATOM 1810 ND1 HIS B 120 -21.153 26.205 19.190 1.00 38.34 N ATOM 1811 CD2 HIS B 120 -20.512 26.553 21.251 1.00 36.82 C ATOM 1812 CE1 HIS B 120 -20.004 26.859 19.137 1.00 38.34 C ATOM 1813 NE2 HIS B 120 -19.602 27.094 20.372 1.00 36.85 N ATOM 1814 N PHE B 121 -25.616 24.677 19.933 1.00 42.42 N ATOM 1815 CA PHE B 121 -26.897 23.981 19.907 1.00 45.02 C ATOM 1816 C PHE B 121 -26.780 22.665 20.657 1.00 47.38 C ATOM 1817 O PHE B 121 -25.693 22.056 20.712 1.00 47.54 O ATOM 1818 CB PHE B 121 -27.385 23.797 18.464 1.00 44.25 C ATOM 1819 CG PHE B 121 -27.737 25.085 17.796 1.00 42.69 C ATOM 1820 CD1 PHE B 121 -26.821 25.727 16.959 1.00 40.27 C ATOM 1821 CD2 PHE B 121 -28.963 25.688 18.035 1.00 40.94 C ATOM 1822 CE1 PHE B 121 -27.137 26.926 16.376 1.00 37.61 C ATOM 1823 CE2 PHE B 121 -29.296 26.896 17.433 1.00 40.44 C ATOM 1824 CZ PHE B 121 -28.376 27.517 16.601 1.00 38.83 C ATOM 1825 N ASP B 122 -27.921 22.237 21.195 1.00 50.19 N ATOM 1826 CA ASP B 122 -28.009 21.237 22.255 1.00 53.01 C ATOM 1827 C ASP B 122 -27.585 19.814 21.879 1.00 53.97 C ATOM 1828 O ASP B 122 -27.991 18.859 22.550 1.00 54.54 O ATOM 1829 CB ASP B 122 -29.436 21.245 22.830 1.00 53.75 C ATOM 1830 CG ASP B 122 -29.955 22.668 23.112 1.00 56.58 C ATOM 1831 OD1 ASP B 122 -30.189 22.971 24.307 1.00 58.93 O ATOM 1832 OD2 ASP B 122 -30.125 23.477 22.150 1.00 58.58 O ATOM 1833 N ASN B 123 -26.770 19.670 20.831 1.00 54.82 N ATOM 1834 CA ASN B 123 -26.214 18.359 20.439 1.00 55.66 C ATOM 1835 C ASN B 123 -25.014 18.398 19.479 1.00 55.38 C ATOM 1836 O ASN B 123 -24.724 17.400 18.804 1.00 55.95 O ATOM 1837 CB ASN B 123 -27.316 17.450 19.853 1.00 56.08 C ATOM 1838 CG ASN B 123 -27.713 16.317 20.792 1.00 57.42 C ATOM 1839 OD1 ASN B 123 -28.817 16.309 21.352 1.00 58.88 O ATOM 1840 ND2 ASN B 123 -26.811 15.352 20.968 1.00 58.25 N ATOM 1841 N GLY B 124 -24.310 19.532 19.425 1.00 54.87 N ATOM 1842 CA GLY B 124 -23.260 19.744 18.414 1.00 53.46 C ATOM 1843 C GLY B 124 -23.858 19.952 17.023 1.00 52.52 C ATOM 1844 O GLY B 124 -23.127 20.100 16.032 1.00 53.10 O ATOM 1845 N ASN B 125 -25.194 19.955 16.973 1.00 50.42 N ATOM 1846 CA ASN B 125 -26.000 20.204 15.779 1.00 48.36 C ATOM 1847 C ASN B 125 -25.681 21.521 15.069 1.00 46.28 C ATOM 1848 O ASN B 125 -25.146 22.460 15.679 1.00 46.50 O ATOM 1849 CB ASN B 125 -27.484 20.225 16.166 1.00 48.51 C ATOM 1850 CG ASN B 125 -27.949 18.927 16.804 1.00 50.05 C ATOM 1851 OD1 ASN B 125 -27.174 17.973 16.942 1.00 50.89 O ATOM 1852 ND2 ASN B 125 -29.226 18.881 17.191 1.00 49.80 N ATOM 1853 N LEU B 126 -26.044 21.588 13.788 1.00 43.25 N ATOM 1854 CA LEU B 126 -25.847 22.798 12.981 1.00 39.75 C ATOM 1855 C LEU B 126 -27.166 23.494 12.695 1.00 37.40 C ATOM 1856 O LEU B 126 -28.218 22.844 12.609 1.00 36.93 O ATOM 1857 CB LEU B 126 -25.143 22.453 11.664 1.00 40.18 C ATOM 1858 CG LEU B 126 -23.769 21.791 11.799 1.00 40.07 C ATOM 1859 CD1 LEU B 126 -23.273 21.300 10.445 1.00 41.35 C ATOM 1860 CD2 LEU B 126 -22.745 22.733 12.458 1.00 42.99 C ATOM 1861 N GLN B 127 -27.114 24.821 12.561 1.00 33.71 N ATOM 1862 CA GLN B 127 -28.285 25.612 12.228 1.00 30.99 C ATOM 1863 C GLN B 127 -28.172 26.054 10.769 1.00 30.53 C ATOM 1864 O GLN B 127 -27.140 26.599 10.377 1.00 28.76 O ATOM 1865 CB GLN B 127 -28.359 26.831 13.143 1.00 31.04 C ATOM 1866 CG GLN B 127 -29.411 27.863 12.796 1.00 30.12 C ATOM 1867 CD GLN B 127 -30.818 27.324 12.946 1.00 34.73 C ATOM 1868 OE1 GLN B 127 -31.178 26.798 13.996 1.00 36.37 O ATOM 1869 NE2 GLN B 127 -31.617 27.456 11.901 1.00 34.70 N ATOM 1870 N ASN B 128 -29.221 25.824 9.979 1.00 29.22 N ATOM 1871 CA ASN B 128 -29.240 26.293 8.576 1.00 28.97 C ATOM 1872 C ASN B 128 -29.746 27.719 8.491 1.00 27.53 C ATOM 1873 O ASN B 128 -30.685 28.121 9.202 1.00 28.06 O ATOM 1874 CB ASN B 128 -30.112 25.413 7.648 1.00 29.88 C ATOM 1875 CG ASN B 128 -29.624 23.980 7.529 1.00 32.96 C ATOM 1876 OD1 ASN B 128 -28.471 23.703 7.178 1.00 34.92 O ATOM 1877 ND2 ASN B 128 -30.538 23.037 7.792 1.00 37.90 N ATOM 1878 N VAL B 129 -29.146 28.496 7.591 1.00 25.15 N ATOM 1879 CA VAL B 129 -29.582 29.857 7.374 1.00 23.42 C ATOM 1880 C VAL B 129 -29.788 30.001 5.865 1.00 23.43 C ATOM 1881 O VAL B 129 -28.854 29.794 5.102 1.00 22.77 O ATOM 1882 CB VAL B 129 -28.511 30.889 7.863 1.00 23.50 C ATOM 1883 CG1 VAL B 129 -28.961 32.264 7.568 1.00 23.51 C ATOM 1884 CG2 VAL B 129 -28.229 30.715 9.392 1.00 23.44 C ATOM 1885 N LEU B 130 -31.014 30.323 5.464 1.00 23.03 N ATOM 1886 CA LEU B 130 -31.379 30.421 4.045 1.00 22.66 C ATOM 1887 C LEU B 130 -30.804 31.689 3.406 1.00 22.64 C ATOM 1888 O LEU B 130 -30.913 32.786 3.965 1.00 22.89 O ATOM 1889 CB LEU B 130 -32.912 30.439 3.899 1.00 23.49 C ATOM 1890 CG LEU B 130 -33.420 30.613 2.451 1.00 23.92 C ATOM 1891 CD1 LEU B 130 -33.035 29.427 1.621 1.00 25.27 C ATOM 1892 CD2 LEU B 130 -34.922 30.899 2.407 1.00 29.16 C ATOM 1893 N VAL B 131 -30.226 31.531 2.217 1.00 21.36 N ATOM 1894 CA VAL B 131 -29.775 32.657 1.420 1.00 20.80 C ATOM 1895 C VAL B 131 -30.570 32.653 0.120 1.00 20.76 C ATOM 1896 O VAL B 131 -30.490 31.681 -0.645 1.00 20.61 O ATOM 1897 CB VAL B 131 -28.261 32.525 1.092 1.00 21.18 C ATOM 1898 CG1 VAL B 131 -27.787 33.699 0.229 1.00 21.64 C ATOM 1899 CG2 VAL B 131 -27.443 32.428 2.396 1.00 21.43 C ATOM 1900 N ARG B 132 -31.323 33.722 -0.123 1.00 20.29 N ATOM 1901 CA ARG B 132 -32.053 33.884 -1.403 1.00 20.66 C ATOM 1902 C ARG B 132 -31.216 34.799 -2.298 1.00 20.22 C ATOM 1903 O ARG B 132 -30.860 35.881 -1.885 1.00 21.33 O ATOM 1904 CB ARG B 132 -33.455 34.474 -1.214 1.00 21.64 C ATOM 1905 CG ARG B 132 -34.440 33.554 -0.479 1.00 26.16 C ATOM 1906 CD ARG B 132 -35.801 34.259 -0.337 1.00 35.82 C ATOM 1907 NE ARG B 132 -36.413 34.050 0.981 1.00 44.80 N ATOM 1908 CZ ARG B 132 -37.260 33.064 1.285 1.00 48.57 C ATOM 1909 NH1 ARG B 132 -37.599 32.157 0.370 1.00 51.04 N ATOM 1910 NH2 ARG B 132 -37.752 32.969 2.519 1.00 49.80 N ATOM 1911 N VAL B 133 -30.916 34.361 -3.519 1.00 19.58 N ATOM 1912 CA VAL B 133 -30.084 35.125 -4.443 1.00 20.00 C ATOM 1913 C VAL B 133 -30.958 35.686 -5.573 1.00 20.64 C ATOM 1914 O VAL B 133 -31.765 34.957 -6.167 1.00 20.92 O ATOM 1915 CB VAL B 133 -28.956 34.271 -5.021 1.00 19.38 C ATOM 1916 CG1 VAL B 133 -28.085 35.109 -5.962 1.00 21.77 C ATOM 1917 CG2 VAL B 133 -28.104 33.619 -3.874 1.00 19.84 C ATOM 1918 N TYR B 134 -30.801 36.978 -5.844 1.00 19.97 N ATOM 1919 CA TYR B 134 -31.540 37.632 -6.908 1.00 20.43 C ATOM 1920 C TYR B 134 -30.540 38.082 -7.964 1.00 21.24 C ATOM 1921 O TYR B 134 -29.501 38.696 -7.635 1.00 20.88 O ATOM 1922 CB TYR B 134 -32.318 38.832 -6.370 1.00 21.08 C ATOM 1923 CG TYR B 134 -33.365 38.464 -5.351 1.00 22.40 C ATOM 1924 CD1 TYR B 134 -32.997 38.189 -4.030 1.00 25.86 C ATOM 1925 CD2 TYR B 134 -34.720 38.363 -5.708 1.00 26.88 C ATOM 1926 CE1 TYR B 134 -33.945 37.832 -3.078 1.00 26.36 C ATOM 1927 CE2 TYR B 134 -35.685 38.003 -4.755 1.00 26.57 C ATOM 1928 CZ TYR B 134 -35.273 37.736 -3.446 1.00 27.87 C ATOM 1929 OH TYR B 134 -36.166 37.370 -2.469 1.00 29.40 O ATOM 1930 N GLU B 135 -30.832 37.752 -9.226 1.00 21.13 N ATOM 1931 CA GLU B 135 -30.068 38.240 -10.340 1.00 21.54 C ATOM 1932 C GLU B 135 -31.010 39.092 -11.166 1.00 22.39 C ATOM 1933 O GLU B 135 -32.004 38.576 -11.712 1.00 20.60 O ATOM 1934 CB GLU B 135 -29.532 37.108 -11.209 1.00 22.60 C ATOM 1935 CG GLU B 135 -28.635 36.127 -10.485 1.00 23.41 C ATOM 1936 CD GLU B 135 -28.207 35.018 -11.418 1.00 27.47 C ATOM 1937 OE1 GLU B 135 -27.233 35.220 -12.164 1.00 26.73 O ATOM 1938 OE2 GLU B 135 -28.854 33.956 -11.406 1.00 29.57 O ATOM 1939 N ASN B 136 -30.690 40.381 -11.243 1.00 21.96 N ATOM 1940 CA ASN B 136 -31.546 41.373 -11.918 1.00 23.12 C ATOM 1941 C ASN B 136 -32.978 41.269 -11.412 1.00 24.14 C ATOM 1942 O ASN B 136 -33.920 41.153 -12.205 1.00 23.38 O ATOM 1943 CB ASN B 136 -31.452 41.183 -13.449 1.00 23.18 C ATOM 1944 CG ASN B 136 -30.037 41.349 -13.958 1.00 23.23 C ATOM 1945 OD1 ASN B 136 -29.364 42.337 -13.634 1.00 23.06 O ATOM 1946 ND2 ASN B 136 -29.550 40.368 -14.697 1.00 24.02 N ATOM 1947 N LYS B 137 -33.114 41.244 -10.084 1.00 23.66 N ATOM 1948 CA LYS B 137 -34.391 41.224 -9.367 1.00 25.64 C ATOM 1949 C LYS B 137 -35.158 39.893 -9.431 1.00 24.77 C ATOM 1950 O LYS B 137 -36.266 39.797 -8.896 1.00 27.20 O ATOM 1951 CB LYS B 137 -35.315 42.395 -9.800 1.00 25.58 C ATOM 1952 CG LYS B 137 -34.756 43.782 -9.479 1.00 30.07 C ATOM 1953 CD LYS B 137 -35.763 44.907 -9.711 1.00 33.83 C ATOM 1954 CE LYS B 137 -35.049 46.260 -9.513 1.00 38.97 C ATOM 1955 NZ LYS B 137 -35.933 47.455 -9.705 1.00 43.55 N ATOM 1956 N ARG B 138 -34.570 38.868 -10.029 1.00 24.36 N ATOM 1957 CA ARG B 138 -35.197 37.560 -10.107 1.00 23.45 C ATOM 1958 C ARG B 138 -34.500 36.571 -9.172 1.00 23.18 C ATOM 1959 O ARG B 138 -33.274 36.384 -9.266 1.00 23.34 O ATOM 1960 CB ARG B 138 -35.104 37.018 -11.534 1.00 22.79 C ATOM 1961 CG ARG B 138 -35.809 37.926 -12.567 1.00 22.95 C ATOM 1962 CD ARG B 138 -35.448 37.563 -14.030 1.00 27.19 C ATOM 1963 NE ARG B 138 -36.118 38.496 -14.954 1.00 27.24 N ATOM 1964 CZ ARG B 138 -37.353 38.320 -15.401 1.00 28.69 C ATOM 1965 NH1 ARG B 138 -38.040 37.255 -15.024 1.00 28.53 N ATOM 1966 NH2 ARG B 138 -37.912 39.223 -16.198 1.00 30.12 N ATOM 1967 N ASN B 139 -35.276 35.916 -8.310 1.00 22.84 N ATOM 1968 CA ASN B 139 -34.727 34.879 -7.426 1.00 22.46 C ATOM 1969 C ASN B 139 -34.446 33.606 -8.213 1.00 23.11 C ATOM 1970 O ASN B 139 -35.344 32.801 -8.455 1.00 23.16 O ATOM 1971 CB ASN B 139 -35.673 34.648 -6.235 1.00 23.24 C ATOM 1972 CG ASN B 139 -35.205 33.555 -5.278 1.00 22.26 C ATOM 1973 OD1 ASN B 139 -36.036 32.989 -4.559 1.00 25.71 O ATOM 1974 ND2 ASN B 139 -33.898 33.272 -5.219 1.00 19.90 N ATOM 1975 N THR B 140 -33.198 33.434 -8.622 1.00 22.08 N ATOM 1976 CA THR B 140 -32.813 32.361 -9.532 1.00 22.60 C ATOM 1977 C THR B 140 -32.202 31.201 -8.772 1.00 22.42 C ATOM 1978 O THR B 140 -32.191 30.060 -9.263 1.00 23.35 O ATOM 1979 CB THR B 140 -31.754 32.854 -10.535 1.00 23.01 C ATOM 1980 OG1 THR B 140 -30.653 33.412 -9.811 1.00 22.13 O ATOM 1981 CG2 THR B 140 -32.345 33.906 -11.482 1.00 23.73 C ATOM 1982 N ILE B 141 -31.690 31.472 -7.569 1.00 21.59 N ATOM 1983 CA ILE B 141 -30.989 30.419 -6.824 1.00 21.20 C ATOM 1984 C ILE B 141 -31.127 30.677 -5.324 1.00 21.54 C ATOM 1985 O ILE B 141 -31.113 31.845 -4.886 1.00 19.50 O ATOM 1986 CB ILE B 141 -29.482 30.239 -7.296 1.00 22.68 C ATOM 1987 CG1 ILE B 141 -28.769 29.113 -6.539 1.00 24.88 C ATOM 1988 CG2 ILE B 141 -28.663 31.557 -7.171 1.00 24.16 C ATOM 1989 CD1 ILE B 141 -27.212 29.147 -6.679 1.00 27.91 C ATOM 1990 N SER B 142 -31.307 29.592 -4.557 1.00 21.12 N ATOM 1991 CA SER B 142 -31.351 29.686 -3.090 1.00 21.15 C ATOM 1992 C SER B 142 -30.579 28.518 -2.503 1.00 20.95 C ATOM 1993 O SER B 142 -30.532 27.423 -3.084 1.00 20.15 O ATOM 1994 CB SER B 142 -32.796 29.734 -2.545 1.00 21.14 C ATOM 1995 OG SER B 142 -33.568 30.829 -3.047 1.00 22.03 O ATOM 1996 N PHE B 143 -29.975 28.726 -1.335 1.00 19.51 N ATOM 1997 CA PHE B 143 -29.222 27.670 -0.678 1.00 19.88 C ATOM 1998 C PHE B 143 -29.114 28.034 0.796 1.00 20.87 C ATOM 1999 O PHE B 143 -29.501 29.129 1.161 1.00 21.91 O ATOM 2000 CB PHE B 143 -27.824 27.543 -1.265 1.00 19.30 C ATOM 2001 CG PHE B 143 -26.972 28.818 -1.141 1.00 20.19 C ATOM 2002 CD1 PHE B 143 -25.962 28.897 -0.182 1.00 19.72 C ATOM 2003 CD2 PHE B 143 -27.166 29.906 -2.016 1.00 20.94 C ATOM 2004 CE1 PHE B 143 -25.163 30.080 -0.088 1.00 20.30 C ATOM 2005 CE2 PHE B 143 -26.378 31.073 -1.919 1.00 22.32 C ATOM 2006 CZ PHE B 143 -25.362 31.130 -0.955 1.00 19.14 C ATOM 2007 N GLU B 144 -28.593 27.112 1.597 1.00 21.00 N ATOM 2008 CA GLU B 144 -28.351 27.356 3.028 1.00 22.54 C ATOM 2009 C GLU B 144 -26.875 27.406 3.304 1.00 22.11 C ATOM 2010 O GLU B 144 -26.104 26.674 2.687 1.00 23.08 O ATOM 2011 CB GLU B 144 -28.968 26.244 3.894 1.00 23.02 C ATOM 2012 CG GLU B 144 -30.491 26.193 3.790 1.00 28.07 C ATOM 2013 CD GLU B 144 -30.941 25.340 2.613 1.00 36.80 C ATOM 2014 OE1 GLU B 144 -31.962 25.708 1.976 1.00 41.09 O ATOM 2015 OE2 GLU B 144 -30.264 24.312 2.319 1.00 38.55 O ATOM 2016 N VAL B 145 -26.489 28.254 4.252 1.00 22.62 N ATOM 2017 CA VAL B 145 -25.160 28.140 4.856 1.00 22.24 C ATOM 2018 C VAL B 145 -25.423 27.581 6.263 1.00 22.91 C ATOM 2019 O VAL B 145 -26.540 27.683 6.778 1.00 23.29 O ATOM 2020 CB VAL B 145 -24.430 29.518 4.909 1.00 22.45 C ATOM 2021 CG1 VAL B 145 -24.115 30.005 3.463 1.00 23.33 C ATOM 2022 CG2 VAL B 145 -25.272 30.547 5.615 1.00 22.51 C ATOM 2023 N GLN B 146 -24.405 27.010 6.884 1.00 23.20 N ATOM 2024 CA GLN B 146 -24.597 26.400 8.201 1.00 24.12 C ATOM 2025 C GLN B 146 -23.645 26.984 9.215 1.00 23.99 C ATOM 2026 O GLN B 146 -22.501 27.323 8.867 1.00 23.16 O ATOM 2027 CB GLN B 146 -24.340 24.910 8.134 1.00 25.25 C ATOM 2028 CG GLN B 146 -25.196 24.192 7.114 1.00 29.24 C ATOM 2029 CD GLN B 146 -25.025 22.704 7.240 1.00 36.80 C ATOM 2030 OE1 GLN B 146 -23.968 22.160 6.903 1.00 39.65 O ATOM 2031 NE2 GLN B 146 -26.049 22.035 7.764 1.00 39.90 N ATOM 2032 N THR B 147 -24.112 27.048 10.463 1.00 23.66 N ATOM 2033 CA THR B 147 -23.268 27.450 11.580 1.00 25.24 C ATOM 2034 C THR B 147 -23.552 26.614 12.841 1.00 26.01 C ATOM 2035 O THR B 147 -24.680 26.147 13.029 1.00 25.78 O ATOM 2036 CB THR B 147 -23.348 28.985 11.868 1.00 24.62 C ATOM 2037 OG1 THR B 147 -22.464 29.308 12.947 1.00 26.16 O ATOM 2038 CG2 THR B 147 -24.756 29.474 12.233 1.00 24.88 C ATOM 2039 N ASP B 148 -22.510 26.413 13.653 1.00 27.66 N ATOM 2040 CA ASP B 148 -22.612 25.815 15.015 1.00 29.71 C ATOM 2041 C ASP B 148 -23.106 26.819 16.078 1.00 29.05 C ATOM 2042 O ASP B 148 -23.423 26.431 17.218 1.00 29.65 O ATOM 2043 CB ASP B 148 -21.243 25.222 15.461 1.00 31.45 C ATOM 2044 CG ASP B 148 -20.086 26.243 15.417 1.00 35.23 C ATOM 2045 OD1 ASP B 148 -18.960 25.925 15.885 1.00 42.48 O ATOM 2046 OD2 ASP B 148 -20.252 27.375 14.896 1.00 42.44 O ATOM 2047 N LYS B 149 -23.202 28.092 15.707 1.00 27.09 N ATOM 2048 CA LYS B 149 -23.400 29.176 16.672 1.00 25.24 C ATOM 2049 C LYS B 149 -24.829 29.721 16.793 1.00 25.06 C ATOM 2050 O LYS B 149 -25.497 29.982 15.785 1.00 22.59 O ATOM 2051 CB LYS B 149 -22.431 30.328 16.343 1.00 24.71 C ATOM 2052 CG LYS B 149 -20.954 29.918 16.402 1.00 23.56 C ATOM 2053 CD LYS B 149 -20.067 31.064 15.971 1.00 24.89 C ATOM 2054 CE LYS B 149 -18.611 30.662 15.865 1.00 24.20 C ATOM 2055 NZ LYS B 149 -18.378 30.063 14.540 1.00 28.20 N ATOM 2056 N LYS B 150 -25.309 29.914 18.033 1.00 23.88 N ATOM 2057 CA LYS B 150 -26.623 30.567 18.214 1.00 25.03 C ATOM 2058 C LYS B 150 -26.605 32.047 17.826 1.00 23.98 C ATOM 2059 O LYS B 150 -27.473 32.511 17.083 1.00 23.86 O ATOM 2060 CB LYS B 150 -27.153 30.423 19.658 1.00 25.25 C ATOM 2061 CG LYS B 150 -27.395 28.999 20.104 1.00 29.00 C ATOM 2062 CD LYS B 150 -28.046 29.016 21.487 1.00 32.93 C ATOM 2063 CE LYS B 150 -28.961 27.818 21.675 1.00 39.29 C ATOM 2064 NZ LYS B 150 -28.219 26.614 22.139 1.00 43.30 N ATOM 2065 N SER B 151 -25.617 32.772 18.362 1.00 23.20 N ATOM 2066 CA SER B 151 -25.298 34.134 17.965 1.00 23.23 C ATOM 2067 C SER B 151 -24.041 34.028 17.070 1.00 21.28 C ATOM 2068 O SER B 151 -22.983 33.550 17.505 1.00 20.62 O ATOM 2069 CB SER B 151 -25.028 34.986 19.213 1.00 23.44 C ATOM 2070 OG SER B 151 -24.704 36.309 18.835 1.00 28.72 O ATOM 2071 N VAL B 152 -24.178 34.411 15.800 1.00 20.21 N ATOM 2072 CA VAL B 152 -23.101 34.183 14.822 1.00 18.00 C ATOM 2073 C VAL B 152 -22.753 35.544 14.225 1.00 17.56 C ATOM 2074 O VAL B 152 -23.629 36.388 14.086 1.00 17.63 O ATOM 2075 CB VAL B 152 -23.562 33.201 13.695 1.00 18.14 C ATOM 2076 CG1 VAL B 152 -24.783 33.787 12.939 1.00 19.33 C ATOM 2077 CG2 VAL B 152 -22.386 32.852 12.754 1.00 17.79 C ATOM 2078 N THR B 153 -21.488 35.785 13.880 1.00 15.96 N ATOM 2079 CA THR B 153 -21.201 37.088 13.247 1.00 16.20 C ATOM 2080 C THR B 153 -21.807 37.109 11.846 1.00 16.20 C ATOM 2081 O THR B 153 -21.837 36.063 11.173 1.00 16.05 O ATOM 2082 CB THR B 153 -19.678 37.403 13.128 1.00 15.63 C ATOM 2083 OG1 THR B 153 -19.018 36.385 12.357 1.00 15.73 O ATOM 2084 CG2 THR B 153 -19.048 37.516 14.490 1.00 16.34 C ATOM 2085 N ALA B 154 -22.305 38.275 11.446 1.00 16.15 N ATOM 2086 CA ALA B 154 -22.717 38.540 10.043 1.00 16.24 C ATOM 2087 C ALA B 154 -21.530 38.207 9.126 1.00 16.40 C ATOM 2088 O ALA B 154 -21.721 37.611 8.056 1.00 16.30 O ATOM 2089 CB ALA B 154 -23.114 39.989 9.885 1.00 17.19 C ATOM 2090 N GLN B 155 -20.319 38.511 9.584 1.00 16.29 N ATOM 2091 CA GLN B 155 -19.091 38.197 8.828 1.00 15.98 C ATOM 2092 C GLN B 155 -19.012 36.705 8.471 1.00 15.45 C ATOM 2093 O GLN B 155 -18.801 36.329 7.305 1.00 15.57 O ATOM 2094 CB GLN B 155 -17.805 38.584 9.607 1.00 15.45 C ATOM 2095 CG GLN B 155 -16.567 38.265 8.766 1.00 14.59 C ATOM 2096 CD GLN B 155 -15.267 38.686 9.420 1.00 14.08 C ATOM 2097 OE1 GLN B 155 -14.190 38.545 8.821 1.00 17.29 O ATOM 2098 NE2 GLN B 155 -15.356 39.204 10.671 1.00 12.72 N ATOM 2099 N GLU B 156 -19.171 35.833 9.464 1.00 14.54 N ATOM 2100 CA GLU B 156 -19.150 34.391 9.194 1.00 15.51 C ATOM 2101 C GLU B 156 -20.191 33.966 8.125 1.00 15.84 C ATOM 2102 O GLU B 156 -19.860 33.210 7.218 1.00 16.01 O ATOM 2103 CB GLU B 156 -19.407 33.609 10.488 1.00 16.04 C ATOM 2104 CG GLU B 156 -19.547 32.073 10.240 1.00 17.34 C ATOM 2105 CD GLU B 156 -19.532 31.261 11.528 1.00 20.27 C ATOM 2106 OE1 GLU B 156 -20.005 30.107 11.466 1.00 20.80 O ATOM 2107 OE2 GLU B 156 -19.063 31.774 12.577 1.00 18.63 O ATOM 2108 N LEU B 157 -21.416 34.461 8.242 1.00 16.02 N ATOM 2109 CA LEU B 157 -22.502 34.102 7.293 1.00 16.82 C ATOM 2110 C LEU B 157 -22.197 34.639 5.904 1.00 16.89 C ATOM 2111 O LEU B 157 -22.403 33.951 4.900 1.00 17.63 O ATOM 2112 CB LEU B 157 -23.845 34.631 7.773 1.00 17.60 C ATOM 2113 CG LEU B 157 -24.333 33.989 9.099 1.00 17.77 C ATOM 2114 CD1 LEU B 157 -25.726 34.547 9.413 1.00 19.86 C ATOM 2115 CD2 LEU B 157 -24.327 32.462 9.044 1.00 20.31 C ATOM 2116 N ASP B 158 -21.711 35.869 5.858 1.00 15.23 N ATOM 2117 CA ASP B 158 -21.304 36.500 4.610 1.00 15.98 C ATOM 2118 C ASP B 158 -20.230 35.678 3.918 1.00 15.36 C ATOM 2119 O ASP B 158 -20.342 35.359 2.701 1.00 14.99 O ATOM 2120 CB ASP B 158 -20.821 37.927 4.897 1.00 16.24 C ATOM 2121 CG ASP B 158 -20.621 38.772 3.620 1.00 18.89 C ATOM 2122 OD1 ASP B 158 -21.007 38.343 2.488 1.00 16.49 O ATOM 2123 OD2 ASP B 158 -20.085 39.894 3.777 1.00 17.23 O ATOM 2124 N ILE B 159 -19.191 35.306 4.657 1.00 14.97 N ATOM 2125 CA ILE B 159 -18.088 34.544 4.050 1.00 15.09 C ATOM 2126 C ILE B 159 -18.594 33.214 3.435 1.00 16.33 C ATOM 2127 O ILE B 159 -18.262 32.849 2.296 1.00 14.53 O ATOM 2128 CB ILE B 159 -16.940 34.287 5.079 1.00 15.76 C ATOM 2129 CG1 ILE B 159 -16.130 35.560 5.379 1.00 16.85 C ATOM 2130 CG2 ILE B 159 -15.954 33.242 4.537 1.00 15.32 C ATOM 2131 CD1 ILE B 159 -16.908 36.755 5.506 1.00 27.28 C ATOM 2132 N LYS B 160 -19.418 32.517 4.201 1.00 15.90 N ATOM 2133 CA LYS B 160 -20.000 31.241 3.765 1.00 16.47 C ATOM 2134 C LYS B 160 -20.854 31.404 2.502 1.00 16.29 C ATOM 2135 O LYS B 160 -20.734 30.607 1.558 1.00 16.39 O ATOM 2136 CB LYS B 160 -20.798 30.627 4.921 1.00 15.72 C ATOM 2137 CG LYS B 160 -19.807 30.028 5.941 1.00 15.88 C ATOM 2138 CD LYS B 160 -20.520 29.576 7.221 1.00 18.14 C ATOM 2139 CE LYS B 160 -19.481 28.875 8.133 1.00 22.34 C ATOM 2140 NZ LYS B 160 -20.054 28.278 9.352 1.00 29.00 N ATOM 2141 N ALA B 161 -21.655 32.454 2.463 1.00 15.53 N ATOM 2142 CA ALA B 161 -22.490 32.753 1.274 1.00 16.14 C ATOM 2143 C ALA B 161 -21.640 33.052 0.045 1.00 16.76 C ATOM 2144 O ALA B 161 -21.907 32.558 -1.065 1.00 16.54 O ATOM 2145 CB ALA B 161 -23.384 33.932 1.569 1.00 15.54 C ATOM 2146 N ARG B 162 -20.622 33.904 0.218 1.00 16.37 N ATOM 2147 CA ARG B 162 -19.787 34.303 -0.922 1.00 16.30 C ATOM 2148 C ARG B 162 -18.959 33.121 -1.396 1.00 16.80 C ATOM 2149 O ARG B 162 -18.772 32.941 -2.601 1.00 17.68 O ATOM 2150 CB ARG B 162 -18.887 35.509 -0.589 1.00 15.57 C ATOM 2151 CG ARG B 162 -19.738 36.763 -0.282 1.00 15.66 C ATOM 2152 CD ARG B 162 -18.892 38.020 -0.481 1.00 17.00 C ATOM 2153 NE ARG B 162 -19.330 39.065 0.429 1.00 16.89 N ATOM 2154 CZ ARG B 162 -18.845 40.305 0.412 1.00 16.99 C ATOM 2155 NH1 ARG B 162 -17.991 40.664 -0.551 1.00 14.61 N ATOM 2156 NH2 ARG B 162 -19.240 41.171 1.333 1.00 16.67 N ATOM 2157 N ASN B 163 -18.439 32.315 -0.468 1.00 16.39 N ATOM 2158 CA ASN B 163 -17.707 31.118 -0.863 1.00 18.04 C ATOM 2159 C ASN B 163 -18.560 30.189 -1.759 1.00 18.57 C ATOM 2160 O ASN B 163 -18.128 29.733 -2.829 1.00 18.12 O ATOM 2161 CB ASN B 163 -17.257 30.352 0.390 1.00 17.86 C ATOM 2162 CG ASN B 163 -16.479 29.094 0.054 1.00 21.02 C ATOM 2163 OD1 ASN B 163 -15.476 29.119 -0.661 1.00 20.06 O ATOM 2164 ND2 ASN B 163 -16.963 27.978 0.557 1.00 23.95 N ATOM 2165 N PHE B 164 -19.792 29.969 -1.339 1.00 19.08 N ATOM 2166 CA PHE B 164 -20.745 29.147 -2.137 1.00 20.61 C ATOM 2167 C PHE B 164 -20.976 29.764 -3.529 1.00 20.61 C ATOM 2168 O PHE B 164 -20.902 29.064 -4.548 1.00 20.96 O ATOM 2169 CB PHE B 164 -22.068 29.056 -1.374 1.00 20.75 C ATOM 2170 CG PHE B 164 -23.030 28.032 -1.944 1.00 24.87 C ATOM 2171 CD1 PHE B 164 -22.990 26.706 -1.516 1.00 29.19 C ATOM 2172 CD2 PHE B 164 -23.952 28.398 -2.903 1.00 25.72 C ATOM 2173 CE1 PHE B 164 -23.884 25.747 -2.039 1.00 32.19 C ATOM 2174 CE2 PHE B 164 -24.842 27.443 -3.449 1.00 30.24 C ATOM 2175 CZ PHE B 164 -24.796 26.123 -3.020 1.00 29.90 C ATOM 2176 N LEU B 165 -21.239 31.068 -3.568 1.00 19.80 N ATOM 2177 CA LEU B 165 -21.504 31.788 -4.821 1.00 19.56 C ATOM 2178 C LEU B 165 -20.299 31.913 -5.759 1.00 19.59 C ATOM 2179 O LEU B 165 -20.452 32.005 -6.982 1.00 19.16 O ATOM 2180 CB LEU B 165 -22.039 33.162 -4.511 1.00 19.15 C ATOM 2181 CG LEU B 165 -23.532 33.524 -4.503 1.00 24.10 C ATOM 2182 CD1 LEU B 165 -24.568 32.430 -4.910 1.00 22.15 C ATOM 2183 CD2 LEU B 165 -23.960 34.481 -3.379 1.00 21.92 C ATOM 2184 N ILE B 166 -19.090 31.962 -5.201 1.00 19.31 N ATOM 2185 CA ILE B 166 -17.888 31.828 -6.038 1.00 21.06 C ATOM 2186 C ILE B 166 -17.876 30.483 -6.768 1.00 21.94 C ATOM 2187 O ILE B 166 -17.590 30.432 -7.986 1.00 22.44 O ATOM 2188 CB ILE B 166 -16.569 31.998 -5.192 1.00 20.58 C ATOM 2189 CG1 ILE B 166 -16.471 33.411 -4.649 1.00 22.27 C ATOM 2190 CG2 ILE B 166 -15.307 31.614 -5.993 1.00 22.01 C ATOM 2191 CD1 ILE B 166 -16.379 34.398 -5.650 1.00 32.16 C ATOM 2192 N ASN B 167 -18.182 29.410 -6.039 1.00 22.97 N ATOM 2193 CA ASN B 167 -18.149 28.061 -6.582 1.00 24.57 C ATOM 2194 C ASN B 167 -19.288 27.790 -7.592 1.00 25.11 C ATOM 2195 O ASN B 167 -19.042 27.177 -8.635 1.00 25.18 O ATOM 2196 CB ASN B 167 -18.221 27.027 -5.465 1.00 26.35 C ATOM 2197 CG ASN B 167 -16.916 26.890 -4.694 1.00 30.00 C ATOM 2198 OD1 ASN B 167 -15.825 27.149 -5.220 1.00 35.79 O ATOM 2199 ND2 ASN B 167 -17.024 26.468 -3.439 1.00 37.27 N ATOM 2200 N LYS B 168 -20.502 28.254 -7.285 1.00 24.34 N ATOM 2201 CA LYS B 168 -21.698 27.933 -8.094 1.00 24.47 C ATOM 2202 C LYS B 168 -22.101 29.015 -9.109 1.00 24.33 C ATOM 2203 O LYS B 168 -22.808 28.716 -10.085 1.00 25.15 O ATOM 2204 CB LYS B 168 -22.906 27.639 -7.204 1.00 24.99 C ATOM 2205 CG LYS B 168 -22.794 26.404 -6.294 1.00 29.17 C ATOM 2206 CD LYS B 168 -22.675 25.129 -7.081 1.00 33.75 C ATOM 2207 CE LYS B 168 -22.538 23.923 -6.142 1.00 37.40 C ATOM 2208 NZ LYS B 168 -22.070 22.734 -6.926 1.00 38.11 N ATOM 2209 N LYS B 169 -21.673 30.263 -8.913 1.00 22.22 N ATOM 2210 CA LYS B 169 -22.165 31.351 -9.759 1.00 22.26 C ATOM 2211 C LYS B 169 -21.033 32.265 -10.235 1.00 22.11 C ATOM 2212 O LYS B 169 -21.291 33.315 -10.792 1.00 23.22 O ATOM 2213 CB LYS B 169 -23.291 32.150 -9.058 1.00 20.93 C ATOM 2214 CG LYS B 169 -24.516 31.296 -8.639 1.00 21.55 C ATOM 2215 CD LYS B 169 -25.347 30.912 -9.890 1.00 21.77 C ATOM 2216 CE LYS B 169 -25.899 32.177 -10.563 1.00 22.67 C ATOM 2217 NZ LYS B 169 -26.907 31.826 -11.664 1.00 23.29 N ATOM 2218 N ASN B 170 -19.783 31.841 -10.031 1.00 22.76 N ATOM 2219 CA ASN B 170 -18.592 32.642 -10.424 1.00 23.16 C ATOM 2220 C ASN B 170 -18.684 34.077 -9.936 1.00 21.99 C ATOM 2221 O ASN B 170 -18.347 35.009 -10.660 1.00 21.65 O ATOM 2222 CB ASN B 170 -18.417 32.695 -11.955 1.00 25.54 C ATOM 2223 CG ASN B 170 -18.217 31.351 -12.559 1.00 30.00 C ATOM 2224 OD1 ASN B 170 -17.527 30.486 -12.005 1.00 34.71 O ATOM 2225 ND2 ASN B 170 -18.859 31.141 -13.715 1.00 37.38 N ATOM 2226 N LEU B 171 -19.143 34.267 -8.699 1.00 19.79 N ATOM 2227 CA LEU B 171 -19.378 35.603 -8.185 1.00 19.33 C ATOM 2228 C LEU B 171 -18.148 36.525 -8.443 1.00 18.48 C ATOM 2229 O LEU B 171 -18.299 37.689 -8.840 1.00 20.72 O ATOM 2230 CB LEU B 171 -19.712 35.491 -6.692 1.00 18.67 C ATOM 2231 CG LEU B 171 -19.673 36.794 -5.896 1.00 20.01 C ATOM 2232 CD1 LEU B 171 -20.755 37.756 -6.379 1.00 18.72 C ATOM 2233 CD2 LEU B 171 -19.858 36.436 -4.387 1.00 18.59 C ATOM 2234 N TYR B 172 -16.951 35.986 -8.203 1.00 19.11 N ATOM 2235 CA TYR B 172 -15.680 36.644 -8.515 1.00 18.50 C ATOM 2236 C TYR B 172 -14.835 35.669 -9.286 1.00 19.79 C ATOM 2237 O TYR B 172 -14.788 34.464 -8.989 1.00 20.55 O ATOM 2238 CB TYR B 172 -14.896 37.066 -7.251 1.00 18.64 C ATOM 2239 CG TYR B 172 -15.702 37.829 -6.216 1.00 16.31 C ATOM 2240 CD1 TYR B 172 -15.890 37.302 -4.940 1.00 17.85 C ATOM 2241 CD2 TYR B 172 -16.253 39.059 -6.508 1.00 16.69 C ATOM 2242 CE1 TYR B 172 -16.634 37.975 -3.992 1.00 16.98 C ATOM 2243 CE2 TYR B 172 -16.994 39.789 -5.560 1.00 15.44 C ATOM 2244 CZ TYR B 172 -17.172 39.209 -4.277 1.00 17.14 C ATOM 2245 OH TYR B 172 -17.917 39.871 -3.329 1.00 18.93 O ATOM 2246 N GLU B 173 -14.159 36.204 -10.289 1.00 20.42 N ATOM 2247 CA GLU B 173 -13.219 35.419 -11.050 1.00 20.42 C ATOM 2248 C GLU B 173 -11.855 36.100 -10.930 1.00 20.26 C ATOM 2249 O GLU B 173 -11.729 37.129 -10.270 1.00 19.72 O ATOM 2250 CB GLU B 173 -13.684 35.370 -12.502 1.00 21.98 C ATOM 2251 CG GLU B 173 -15.041 34.692 -12.641 1.00 24.66 C ATOM 2252 CD GLU B 173 -15.543 34.639 -14.067 1.00 32.99 C ATOM 2253 OE1 GLU B 173 -15.640 35.692 -14.726 1.00 36.87 O ATOM 2254 OE2 GLU B 173 -15.864 33.528 -14.508 1.00 37.06 O ATOM 2255 N PHE B 174 -10.833 35.519 -11.548 1.00 20.59 N ATOM 2256 CA PHE B 174 -9.505 36.122 -11.474 1.00 20.68 C ATOM 2257 C PHE B 174 -9.462 37.558 -12.053 1.00 21.78 C ATOM 2258 O PHE B 174 -8.934 38.476 -11.407 1.00 20.93 O ATOM 2259 CB PHE B 174 -8.454 35.208 -12.134 1.00 20.64 C ATOM 2260 CG PHE B 174 -7.086 35.779 -12.095 1.00 22.63 C ATOM 2261 CD1 PHE B 174 -6.317 35.669 -10.928 1.00 23.99 C ATOM 2262 CD2 PHE B 174 -6.553 36.448 -13.213 1.00 24.11 C ATOM 2263 CE1 PHE B 174 -5.038 36.209 -10.871 1.00 23.88 C ATOM 2264 CE2 PHE B 174 -5.272 36.982 -13.163 1.00 24.68 C ATOM 2265 CZ PHE B 174 -4.520 36.870 -11.982 1.00 25.32 C ATOM 2266 N ASN B 175 -9.987 37.784 -13.269 1.00 22.83 N ATOM 2267 CA ASN B 175 -9.946 39.141 -13.786 1.00 25.32 C ATOM 2268 C ASN B 175 -11.045 40.059 -13.336 1.00 25.04 C ATOM 2269 O ASN B 175 -10.757 41.142 -12.809 1.00 24.93 O ATOM 2270 CB ASN B 175 -9.792 39.279 -15.314 1.00 28.22 C ATOM 2271 CG ASN B 175 -9.486 40.734 -15.694 1.00 34.20 C ATOM 2272 OD1 ASN B 175 -8.525 41.343 -15.162 1.00 39.96 O ATOM 2273 ND2 ASN B 175 -10.350 41.334 -16.519 1.00 38.89 N ATOM 2274 N SER B 176 -12.298 39.649 -13.562 1.00 24.75 N ATOM 2275 CA SER B 176 -13.438 40.497 -13.238 1.00 24.63 C ATOM 2276 C SER B 176 -14.545 39.641 -12.617 1.00 23.99 C ATOM 2277 O SER B 176 -14.261 38.617 -11.989 1.00 23.65 O ATOM 2278 CB SER B 176 -13.917 41.301 -14.474 1.00 25.80 C ATOM 2279 OG SER B 176 -14.924 42.281 -14.124 1.00 27.96 O ATOM 2280 N SER B 177 -15.789 40.087 -12.763 1.00 24.40 N ATOM 2281 CA SER B 177 -16.949 39.361 -12.255 1.00 23.81 C ATOM 2282 C SER B 177 -18.006 39.376 -13.369 1.00 24.29 C ATOM 2283 O SER B 177 -18.095 40.352 -14.112 1.00 24.37 O ATOM 2284 CB SER B 177 -17.503 40.031 -10.990 1.00 23.23 C ATOM 2285 OG SER B 177 -18.785 39.528 -10.645 1.00 23.60 O ATOM 2286 N PRO B 178 -18.805 38.301 -13.478 1.00 25.60 N ATOM 2287 CA PRO B 178 -20.003 38.342 -14.340 1.00 26.07 C ATOM 2288 C PRO B 178 -21.001 39.419 -13.923 1.00 25.52 C ATOM 2289 O PRO B 178 -21.889 39.778 -14.699 1.00 27.48 O ATOM 2290 CB PRO B 178 -20.660 36.978 -14.097 1.00 26.45 C ATOM 2291 CG PRO B 178 -19.626 36.092 -13.520 1.00 28.20 C ATOM 2292 CD PRO B 178 -18.643 37.001 -12.805 1.00 24.93 C ATOM 2293 N TYR B 179 -20.896 39.910 -12.694 1.00 23.32 N ATOM 2294 CA TYR B 179 -21.853 40.866 -12.153 1.00 21.10 C ATOM 2295 C TYR B 179 -21.283 42.266 -12.069 1.00 22.38 C ATOM 2296 O TYR B 179 -20.080 42.421 -11.816 1.00 20.79 O ATOM 2297 CB TYR B 179 -22.284 40.405 -10.756 1.00 22.64 C ATOM 2298 CG TYR B 179 -22.866 39.020 -10.833 1.00 20.35 C ATOM 2299 CD1 TYR B 179 -22.165 37.922 -10.378 1.00 22.52 C ATOM 2300 CD2 TYR B 179 -24.125 38.828 -11.400 1.00 20.89 C ATOM 2301 CE1 TYR B 179 -22.703 36.641 -10.470 1.00 20.49 C ATOM 2302 CE2 TYR B 179 -24.687 37.569 -11.485 1.00 18.94 C ATOM 2303 CZ TYR B 179 -23.963 36.477 -11.036 1.00 22.98 C ATOM 2304 OH TYR B 179 -24.515 35.222 -11.128 1.00 24.53 O ATOM 2305 N GLU B 180 -22.167 43.247 -12.276 1.00 19.97 N ATOM 2306 CA GLU B 180 -21.841 44.665 -12.260 1.00 20.32 C ATOM 2307 C GLU B 180 -21.925 45.184 -10.825 1.00 19.90 C ATOM 2308 O GLU B 180 -20.993 45.837 -10.331 1.00 20.30 O ATOM 2309 CB GLU B 180 -22.800 45.437 -13.191 1.00 20.42 C ATOM 2310 CG GLU B 180 -22.610 46.986 -13.188 1.00 22.35 C ATOM 2311 CD GLU B 180 -21.259 47.444 -13.745 1.00 27.44 C ATOM 2312 OE1 GLU B 180 -21.154 48.637 -14.121 1.00 31.43 O ATOM 2313 OE2 GLU B 180 -20.297 46.648 -13.832 1.00 30.32 O ATOM 2314 N THR B 181 -23.021 44.863 -10.145 1.00 18.43 N ATOM 2315 CA THR B 181 -23.219 45.263 -8.733 1.00 18.77 C ATOM 2316 C THR B 181 -23.642 44.043 -7.921 1.00 18.68 C ATOM 2317 O THR B 181 -24.182 43.060 -8.466 1.00 18.90 O ATOM 2318 CB THR B 181 -24.271 46.387 -8.546 1.00 18.84 C ATOM 2319 OG1 THR B 181 -25.594 45.902 -8.886 1.00 19.50 O ATOM 2320 CG2 THR B 181 -23.917 47.654 -9.390 1.00 21.20 C ATOM 2321 N GLY B 182 -23.402 44.112 -6.610 1.00 18.31 N ATOM 2322 CA GLY B 182 -23.912 43.121 -5.719 1.00 17.42 C ATOM 2323 C GLY B 182 -23.914 43.617 -4.283 1.00 18.77 C ATOM 2324 O GLY B 182 -22.984 44.340 -3.841 1.00 17.57 O ATOM 2325 N TYR B 183 -24.962 43.274 -3.556 1.00 17.55 N ATOM 2326 CA TYR B 183 -24.967 43.579 -2.113 1.00 18.19 C ATOM 2327 C TYR B 183 -25.616 42.429 -1.375 1.00 17.83 C ATOM 2328 O TYR B 183 -26.444 41.724 -1.937 1.00 18.75 O ATOM 2329 CB TYR B 183 -25.639 44.922 -1.777 1.00 19.38 C ATOM 2330 CG TYR B 183 -27.125 44.998 -2.062 1.00 19.51 C ATOM 2331 CD1 TYR B 183 -28.069 44.700 -1.068 1.00 22.48 C ATOM 2332 CD2 TYR B 183 -27.586 45.403 -3.328 1.00 20.78 C ATOM 2333 CE1 TYR B 183 -29.457 44.819 -1.318 1.00 22.08 C ATOM 2334 CE2 TYR B 183 -28.971 45.498 -3.606 1.00 21.91 C ATOM 2335 CZ TYR B 183 -29.885 45.203 -2.601 1.00 24.54 C ATOM 2336 OH TYR B 183 -31.227 45.291 -2.858 1.00 26.44 O ATOM 2337 N ILE B 184 -25.173 42.197 -0.143 1.00 18.19 N ATOM 2338 CA ILE B 184 -25.731 41.149 0.695 1.00 17.72 C ATOM 2339 C ILE B 184 -26.459 41.851 1.825 1.00 18.90 C ATOM 2340 O ILE B 184 -25.904 42.756 2.481 1.00 19.22 O ATOM 2341 CB ILE B 184 -24.623 40.127 1.165 1.00 17.79 C ATOM 2342 CG1 ILE B 184 -25.231 38.926 1.900 1.00 20.67 C ATOM 2343 CG2 ILE B 184 -23.468 40.828 1.965 1.00 17.12 C ATOM 2344 CD1 ILE B 184 -25.572 39.132 3.276 1.00 30.71 C ATOM 2345 N LYS B 185 -27.712 41.458 2.024 1.00 19.25 N ATOM 2346 CA LYS B 185 -28.629 42.116 2.968 1.00 19.58 C ATOM 2347 C LYS B 185 -29.031 41.092 4.025 1.00 20.27 C ATOM 2348 O LYS B 185 -29.423 39.958 3.713 1.00 20.55 O ATOM 2349 CB LYS B 185 -29.849 42.666 2.208 1.00 20.32 C ATOM 2350 CG LYS B 185 -30.894 43.334 3.091 1.00 21.05 C ATOM 2351 CD LYS B 185 -32.020 43.986 2.252 1.00 26.38 C ATOM 2352 CE LYS B 185 -33.110 44.562 3.156 1.00 30.41 C ATOM 2353 NZ LYS B 185 -34.253 45.114 2.345 1.00 29.92 N ATOM 2354 N PHE B 186 -28.929 41.509 5.283 1.00 19.84 N ATOM 2355 CA PHE B 186 -29.354 40.728 6.422 1.00 21.36 C ATOM 2356 C PHE B 186 -30.626 41.329 6.980 1.00 23.16 C ATOM 2357 O PHE B 186 -30.731 42.551 7.151 1.00 23.30 O ATOM 2358 CB PHE B 186 -28.269 40.747 7.498 1.00 21.82 C ATOM 2359 CG PHE B 186 -27.016 40.026 7.104 1.00 18.83 C ATOM 2360 CD1 PHE B 186 -26.009 40.686 6.393 1.00 20.78 C ATOM 2361 CD2 PHE B 186 -26.817 38.700 7.494 1.00 18.77 C ATOM 2362 CE1 PHE B 186 -24.815 40.015 6.045 1.00 19.75 C ATOM 2363 CE2 PHE B 186 -25.638 38.004 7.138 1.00 21.10 C ATOM 2364 CZ PHE B 186 -24.638 38.670 6.405 1.00 20.00 C ATOM 2365 N ILE B 187 -31.577 40.446 7.258 1.00 24.86 N ATOM 2366 CA ILE B 187 -32.882 40.827 7.804 1.00 27.20 C ATOM 2367 C ILE B 187 -33.038 40.122 9.140 1.00 27.19 C ATOM 2368 O ILE B 187 -33.102 38.892 9.188 1.00 27.66 O ATOM 2369 CB ILE B 187 -34.041 40.365 6.893 1.00 27.09 C ATOM 2370 CG1 ILE B 187 -33.714 40.541 5.408 1.00 29.40 C ATOM 2371 CG2 ILE B 187 -35.371 41.046 7.318 1.00 28.19 C ATOM 2372 CD1 ILE B 187 -33.699 41.905 4.964 1.00 32.67 C ATOM 2373 N GLU B 188 -33.068 40.896 10.219 1.00 29.41 N ATOM 2374 CA GLU B 188 -33.178 40.320 11.570 1.00 30.51 C ATOM 2375 C GLU B 188 -34.644 40.160 11.989 1.00 32.17 C ATOM 2376 O GLU B 188 -35.529 40.785 11.408 1.00 31.48 O ATOM 2377 CB GLU B 188 -32.401 41.162 12.597 1.00 30.56 C ATOM 2378 CG GLU B 188 -30.896 41.312 12.307 1.00 30.40 C ATOM 2379 CD GLU B 188 -30.138 41.949 13.455 1.00 29.17 C ATOM 2380 OE1 GLU B 188 -29.833 43.164 13.399 1.00 28.97 O ATOM 2381 OE2 GLU B 188 -29.835 41.227 14.427 1.00 32.99 O ATOM 2382 N ASN B 189 -34.885 39.299 12.972 1.00 34.74 N ATOM 2383 CA ASN B 189 -36.245 38.989 13.443 1.00 38.09 C ATOM 2384 C ASN B 189 -36.974 40.231 13.953 1.00 39.21 C ATOM 2385 O ASN B 189 -38.202 40.331 13.846 1.00 40.96 O ATOM 2386 CB ASN B 189 -36.182 37.920 14.536 1.00 38.73 C ATOM 2387 CG ASN B 189 -37.535 37.263 14.812 1.00 42.46 C ATOM 2388 OD1 ASN B 189 -38.398 37.153 13.927 1.00 45.34 O ATOM 2389 ND2 ASN B 189 -37.716 36.808 16.051 1.00 44.14 N ATOM 2390 N ASN B 190 -36.221 41.192 14.479 1.00 40.12 N ATOM 2391 CA ASN B 190 -36.801 42.419 15.008 1.00 40.36 C ATOM 2392 C ASN B 190 -37.084 43.477 13.949 1.00 40.30 C ATOM 2393 O ASN B 190 -37.414 44.610 14.292 1.00 41.63 O ATOM 2394 CB ASN B 190 -35.933 42.998 16.133 1.00 40.79 C ATOM 2395 CG ASN B 190 -34.540 43.394 15.669 1.00 41.82 C ATOM 2396 OD1 ASN B 190 -34.240 43.373 14.480 1.00 40.92 O ATOM 2397 ND2 ASN B 190 -33.685 43.766 16.616 1.00 42.64 N ATOM 2398 N GLY B 191 -36.946 43.115 12.672 1.00 39.76 N ATOM 2399 CA GLY B 191 -37.174 44.048 11.567 1.00 38.31 C ATOM 2400 C GLY B 191 -35.949 44.821 11.098 1.00 37.68 C ATOM 2401 O GLY B 191 -35.962 45.420 10.013 1.00 37.93 O ATOM 2402 N ASN B 192 -34.891 44.823 11.911 1.00 35.96 N ATOM 2403 CA ASN B 192 -33.677 45.536 11.558 1.00 34.67 C ATOM 2404 C ASN B 192 -33.020 44.946 10.314 1.00 32.73 C ATOM 2405 O ASN B 192 -32.910 43.732 10.205 1.00 32.24 O ATOM 2406 CB ASN B 192 -32.661 45.509 12.692 1.00 34.37 C ATOM 2407 CG ASN B 192 -31.443 46.331 12.377 1.00 35.93 C ATOM 2408 OD1 ASN B 192 -31.555 47.513 12.039 1.00 37.41 O ATOM 2409 ND2 ASN B 192 -30.263 45.712 12.447 1.00 34.42 N ATOM 2410 N THR B 193 -32.611 45.820 9.389 1.00 31.65 N ATOM 2411 CA THR B 193 -31.878 45.393 8.186 1.00 29.99 C ATOM 2412 C THR B 193 -30.567 46.147 8.006 1.00 28.47 C ATOM 2413 O THR B 193 -30.432 47.340 8.348 1.00 27.72 O ATOM 2414 CB THR B 193 -32.731 45.518 6.862 1.00 30.40 C ATOM 2415 OG1 THR B 193 -32.957 46.898 6.567 1.00 32.48 O ATOM 2416 CG2 THR B 193 -34.061 44.786 6.968 1.00 32.06 C ATOM 2417 N PHE B 194 -29.575 45.453 7.455 1.00 25.50 N ATOM 2418 CA PHE B 194 -28.337 46.111 7.080 1.00 24.04 C ATOM 2419 C PHE B 194 -27.748 45.366 5.901 1.00 22.87 C ATOM 2420 O PHE B 194 -28.136 44.225 5.626 1.00 22.13 O ATOM 2421 CB PHE B 194 -27.345 46.153 8.253 1.00 23.73 C ATOM 2422 CG PHE B 194 -27.037 44.794 8.854 1.00 23.83 C ATOM 2423 CD1 PHE B 194 -25.852 44.119 8.517 1.00 22.93 C ATOM 2424 CD2 PHE B 194 -27.915 44.186 9.754 1.00 24.74 C ATOM 2425 CE1 PHE B 194 -25.557 42.875 9.068 1.00 22.99 C ATOM 2426 CE2 PHE B 194 -27.625 42.927 10.318 1.00 23.28 C ATOM 2427 CZ PHE B 194 -26.447 42.277 9.979 1.00 23.51 C ATOM 2428 N TRP B 195 -26.843 46.019 5.197 1.00 21.79 N ATOM 2429 CA TRP B 195 -26.293 45.408 3.994 1.00 21.00 C ATOM 2430 C TRP B 195 -24.842 45.824 3.761 1.00 20.80 C ATOM 2431 O TRP B 195 -24.402 46.891 4.244 1.00 21.11 O ATOM 2432 CB TRP B 195 -27.169 45.762 2.790 1.00 21.18 C ATOM 2433 CG TRP B 195 -27.244 47.254 2.492 1.00 22.57 C ATOM 2434 CD1 TRP B 195 -28.153 48.153 3.007 1.00 24.22 C ATOM 2435 CD2 TRP B 195 -26.415 47.992 1.595 1.00 23.68 C ATOM 2436 NE1 TRP B 195 -27.926 49.411 2.488 1.00 25.05 N ATOM 2437 CE2 TRP B 195 -26.863 49.345 1.624 1.00 25.84 C ATOM 2438 CE3 TRP B 195 -25.339 47.650 0.752 1.00 22.55 C ATOM 2439 CZ2 TRP B 195 -26.265 50.347 0.856 1.00 25.33 C ATOM 2440 CZ3 TRP B 195 -24.737 48.652 -0.008 1.00 24.97 C ATOM 2441 CH2 TRP B 195 -25.207 49.982 0.041 1.00 24.55 C ATOM 2442 N TYR B 196 -24.107 44.987 3.035 1.00 19.78 N ATOM 2443 CA TYR B 196 -22.714 45.291 2.642 1.00 19.67 C ATOM 2444 C TYR B 196 -22.590 45.257 1.119 1.00 19.82 C ATOM 2445 O TYR B 196 -23.105 44.328 0.473 1.00 19.17 O ATOM 2446 CB TYR B 196 -21.701 44.273 3.185 1.00 20.56 C ATOM 2447 CG TYR B 196 -21.782 44.031 4.672 1.00 19.76 C ATOM 2448 CD1 TYR B 196 -21.837 42.731 5.185 1.00 19.92 C ATOM 2449 CD2 TYR B 196 -21.850 45.094 5.569 1.00 24.82 C ATOM 2450 CE1 TYR B 196 -21.924 42.491 6.572 1.00 23.42 C ATOM 2451 CE2 TYR B 196 -21.931 44.862 6.976 1.00 24.42 C ATOM 2452 CZ TYR B 196 -21.975 43.566 7.454 1.00 25.30 C ATOM 2453 OH TYR B 196 -22.061 43.347 8.826 1.00 26.12 O ATOM 2454 N ASP B 197 -21.869 46.236 0.573 1.00 19.26 N ATOM 2455 CA ASP B 197 -21.492 46.239 -0.857 1.00 19.59 C ATOM 2456 C ASP B 197 -20.477 45.123 -1.137 1.00 19.05 C ATOM 2457 O ASP B 197 -19.429 45.014 -0.445 1.00 19.15 O ATOM 2458 CB ASP B 197 -20.919 47.617 -1.249 1.00 20.71 C ATOM 2459 CG ASP B 197 -20.802 47.806 -2.753 1.00 22.06 C ATOM 2460 OD1 ASP B 197 -20.658 46.813 -3.495 1.00 22.37 O ATOM 2461 OD2 ASP B 197 -20.808 48.974 -3.199 1.00 23.12 O ATOM 2462 N MET B 198 -20.774 44.273 -2.132 1.00 17.63 N ATOM 2463 CA MET B 198 -19.912 43.106 -2.449 1.00 17.10 C ATOM 2464 C MET B 198 -18.820 43.384 -3.479 1.00 17.51 C ATOM 2465 O MET B 198 -18.010 42.502 -3.767 1.00 18.88 O ATOM 2466 CB MET B 198 -20.770 41.915 -2.934 1.00 16.36 C ATOM 2467 CG MET B 198 -21.719 41.426 -1.839 1.00 17.55 C ATOM 2468 SD MET B 198 -23.021 40.300 -2.496 1.00 20.96 S ATOM 2469 CE MET B 198 -22.021 38.866 -2.622 1.00 19.91 C ATOM 2470 N MET B 199 -18.809 44.588 -4.061 1.00 18.95 N ATOM 2471 CA MET B 199 -17.868 44.855 -5.155 1.00 19.19 C ATOM 2472 C MET B 199 -16.769 45.803 -4.677 1.00 20.04 C ATOM 2473 O MET B 199 -17.033 46.658 -3.823 1.00 21.18 O ATOM 2474 CB MET B 199 -18.573 45.514 -6.354 1.00 19.55 C ATOM 2475 CG MET B 199 -19.503 44.561 -7.110 1.00 19.21 C ATOM 2476 SD MET B 199 -18.561 43.182 -7.742 1.00 23.69 S ATOM 2477 CE MET B 199 -19.923 42.116 -8.296 1.00 23.01 C ATOM 2478 N PRO B 200 -15.583 45.713 -5.285 1.00 20.44 N ATOM 2479 CA PRO B 200 -14.456 46.616 -4.926 1.00 21.76 C ATOM 2480 C PRO B 200 -14.668 48.082 -5.356 1.00 22.77 C ATOM 2481 O PRO B 200 -15.396 48.350 -6.326 1.00 22.80 O ATOM 2482 CB PRO B 200 -13.281 46.009 -5.677 1.00 21.16 C ATOM 2483 CG PRO B 200 -13.912 45.293 -6.841 1.00 22.83 C ATOM 2484 CD PRO B 200 -15.217 44.755 -6.339 1.00 20.35 C ATOM 2485 N ALA B 201 -14.029 49.017 -4.647 1.00 23.38 N ATOM 2486 CA ALA B 201 -14.063 50.444 -4.980 1.00 24.15 C ATOM 2487 C ALA B 201 -13.427 50.675 -6.355 1.00 24.95 C ATOM 2488 O ALA B 201 -12.620 49.854 -6.828 1.00 25.17 O ATOM 2489 CB ALA B 201 -13.327 51.268 -3.884 1.00 23.55 C ATOM 2490 N PRO B 202 -13.819 51.773 -7.028 1.00 26.25 N ATOM 2491 CA PRO B 202 -13.290 51.984 -8.370 1.00 27.36 C ATOM 2492 C PRO B 202 -11.767 52.186 -8.407 1.00 27.80 C ATOM 2493 O PRO B 202 -11.165 52.579 -7.400 1.00 28.66 O ATOM 2494 CB PRO B 202 -14.044 53.237 -8.857 1.00 27.57 C ATOM 2495 CG PRO B 202 -14.566 53.911 -7.660 1.00 27.80 C ATOM 2496 CD PRO B 202 -14.754 52.836 -6.609 1.00 26.42 C ATOM 2497 N GLY B 203 -11.166 51.918 -9.562 1.00 28.06 N ATOM 2498 CA GLY B 203 -9.738 52.120 -9.765 1.00 28.52 C ATOM 2499 C GLY B 203 -8.995 50.839 -9.974 1.00 28.84 C ATOM 2500 O GLY B 203 -9.594 49.796 -10.238 1.00 28.18 O ATOM 2501 N ASP B 204 -7.672 50.919 -9.841 1.00 29.07 N ATOM 2502 CA ASP B 204 -6.779 49.829 -10.153 1.00 30.68 C ATOM 2503 C ASP B 204 -6.449 48.980 -8.919 1.00 29.95 C ATOM 2504 O ASP B 204 -6.341 47.773 -9.000 1.00 32.66 O ATOM 2505 CB ASP B 204 -5.482 50.428 -10.712 1.00 32.51 C ATOM 2506 CG ASP B 204 -5.007 49.756 -11.980 1.00 36.84 C ATOM 2507 OD1 ASP B 204 -5.837 49.420 -12.855 1.00 40.03 O ATOM 2508 OD2 ASP B 204 -3.771 49.592 -12.121 1.00 43.50 O ATOM 2509 N LYS B 205 -6.290 49.590 -7.761 1.00 28.56 N ATOM 2510 CA LYS B 205 -5.866 48.791 -6.596 1.00 26.95 C ATOM 2511 C LYS B 205 -7.091 48.357 -5.806 1.00 23.97 C ATOM 2512 O LYS B 205 -8.087 49.061 -5.794 1.00 22.97 O ATOM 2513 CB LYS B 205 -4.887 49.573 -5.711 1.00 28.37 C ATOM 2514 CG LYS B 205 -3.582 50.043 -6.444 1.00 33.26 C ATOM 2515 CD LYS B 205 -2.492 48.944 -6.694 1.00 40.11 C ATOM 2516 CE LYS B 205 -1.503 49.408 -7.824 1.00 42.50 C ATOM 2517 NZ LYS B 205 -0.101 48.821 -7.886 1.00 41.56 N ATOM 2518 N PHE B 206 -7.009 47.191 -5.168 1.00 21.65 N ATOM 2519 CA PHE B 206 -8.023 46.784 -4.203 1.00 20.68 C ATOM 2520 C PHE B 206 -7.316 46.614 -2.853 1.00 20.69 C ATOM 2521 O PHE B 206 -6.444 45.768 -2.702 1.00 21.92 O ATOM 2522 CB PHE B 206 -8.690 45.465 -4.628 1.00 20.71 C ATOM 2523 CG PHE B 206 -9.626 44.900 -3.594 1.00 18.67 C ATOM 2524 CD1 PHE B 206 -10.721 45.631 -3.183 1.00 19.45 C ATOM 2525 CD2 PHE B 206 -9.422 43.625 -3.068 1.00 18.06 C ATOM 2526 CE1 PHE B 206 -11.593 45.118 -2.223 1.00 18.06 C ATOM 2527 CE2 PHE B 206 -10.269 43.111 -2.101 1.00 16.48 C ATOM 2528 CZ PHE B 206 -11.354 43.866 -1.667 1.00 16.16 C ATOM 2529 N ASP B 207 -7.695 47.441 -1.904 1.00 20.76 N ATOM 2530 CA ASP B 207 -7.103 47.435 -0.562 1.00 20.75 C ATOM 2531 C ASP B 207 -7.901 46.441 0.288 1.00 18.13 C ATOM 2532 O ASP B 207 -8.987 46.794 0.757 1.00 17.00 O ATOM 2533 CB ASP B 207 -7.250 48.841 0.000 1.00 21.91 C ATOM 2534 CG ASP B 207 -6.555 49.030 1.332 1.00 25.73 C ATOM 2535 OD1 ASP B 207 -6.398 48.040 2.109 1.00 24.17 O ATOM 2536 OD2 ASP B 207 -6.176 50.212 1.594 1.00 30.64 O ATOM 2537 N GLN B 208 -7.354 45.242 0.457 1.00 17.62 N ATOM 2538 CA GLN B 208 -8.064 44.143 1.179 1.00 18.38 C ATOM 2539 C GLN B 208 -8.352 44.535 2.617 1.00 18.01 C ATOM 2540 O GLN B 208 -9.464 44.360 3.112 1.00 16.74 O ATOM 2541 CB GLN B 208 -7.274 42.860 1.139 1.00 18.55 C ATOM 2542 CG GLN B 208 -7.304 42.148 -0.236 1.00 19.94 C ATOM 2543 CD GLN B 208 -6.188 41.146 -0.408 1.00 21.13 C ATOM 2544 OE1 GLN B 208 -5.126 41.252 0.226 1.00 22.33 O ATOM 2545 NE2 GLN B 208 -6.420 40.137 -1.247 1.00 17.40 N ATOM 2546 N SER B 209 -7.334 45.083 3.281 1.00 17.26 N ATOM 2547 CA SER B 209 -7.522 45.552 4.655 1.00 18.82 C ATOM 2548 C SER B 209 -8.639 46.564 4.801 1.00 18.84 C ATOM 2549 O SER B 209 -9.476 46.429 5.695 1.00 19.66 O ATOM 2550 CB SER B 209 -6.216 46.128 5.224 1.00 19.43 C ATOM 2551 OG SER B 209 -6.474 46.569 6.546 1.00 21.32 O ATOM 2552 N LYS B 210 -8.691 47.593 3.934 1.00 18.25 N ATOM 2553 CA LYS B 210 -9.698 48.614 4.036 1.00 19.79 C ATOM 2554 C LYS B 210 -11.087 48.021 3.771 1.00 18.40 C ATOM 2555 O LYS B 210 -12.071 48.416 4.411 1.00 18.65 O ATOM 2556 CB LYS B 210 -9.389 49.752 3.050 1.00 20.30 C ATOM 2557 CG LYS B 210 -10.365 50.959 3.096 1.00 27.47 C ATOM 2558 CD LYS B 210 -9.810 52.060 2.148 1.00 35.85 C ATOM 2559 CE LYS B 210 -10.899 53.016 1.635 1.00 40.88 C ATOM 2560 NZ LYS B 210 -11.411 53.938 2.696 1.00 44.95 N ATOM 2561 N TYR B 211 -11.167 47.082 2.834 1.00 17.45 N ATOM 2562 CA TYR B 211 -12.450 46.450 2.505 1.00 16.94 C ATOM 2563 C TYR B 211 -13.016 45.667 3.710 1.00 16.36 C ATOM 2564 O TYR B 211 -14.170 45.867 4.113 1.00 17.08 O ATOM 2565 CB TYR B 211 -12.341 45.530 1.277 1.00 16.21 C ATOM 2566 CG TYR B 211 -13.716 44.937 0.945 1.00 15.22 C ATOM 2567 CD1 TYR B 211 -14.700 45.720 0.313 1.00 16.22 C ATOM 2568 CD2 TYR B 211 -14.032 43.613 1.299 1.00 18.51 C ATOM 2569 CE1 TYR B 211 -15.987 45.208 0.029 1.00 17.11 C ATOM 2570 CE2 TYR B 211 -15.311 43.097 1.049 1.00 15.70 C ATOM 2571 CZ TYR B 211 -16.272 43.899 0.398 1.00 16.89 C ATOM 2572 OH TYR B 211 -17.530 43.416 0.135 1.00 18.62 O ATOM 2573 N LEU B 212 -12.181 44.810 4.285 1.00 16.24 N ATOM 2574 CA LEU B 212 -12.569 43.977 5.429 1.00 16.26 C ATOM 2575 C LEU B 212 -12.839 44.733 6.734 1.00 16.92 C ATOM 2576 O LEU B 212 -13.503 44.201 7.628 1.00 17.75 O ATOM 2577 CB LEU B 212 -11.516 42.926 5.688 1.00 15.38 C ATOM 2578 CG LEU B 212 -11.328 41.866 4.579 1.00 15.09 C ATOM 2579 CD1 LEU B 212 -10.018 41.156 4.881 1.00 17.54 C ATOM 2580 CD2 LEU B 212 -12.539 40.894 4.488 1.00 14.73 C ATOM 2581 N MET B 213 -12.337 45.970 6.830 1.00 18.28 N ATOM 2582 CA MET B 213 -12.557 46.805 8.011 1.00 18.08 C ATOM 2583 C MET B 213 -14.031 46.958 8.377 1.00 18.46 C ATOM 2584 O MET B 213 -14.371 47.166 9.543 1.00 19.00 O ATOM 2585 CB MET B 213 -11.892 48.199 7.835 1.00 18.48 C ATOM 2586 CG MET B 213 -12.050 49.075 9.072 1.00 22.26 C ATOM 2587 SD MET B 213 -11.091 50.609 8.812 1.00 31.93 S ATOM 2588 CE MET B 213 -9.502 49.907 8.539 1.00 29.78 C ATOM 2589 N MET B 214 -14.920 46.816 7.393 1.00 18.75 N ATOM 2590 CA MET B 214 -16.344 46.863 7.672 1.00 19.32 C ATOM 2591 C MET B 214 -16.811 45.842 8.706 1.00 18.54 C ATOM 2592 O MET B 214 -17.811 46.099 9.394 1.00 19.74 O ATOM 2593 CB MET B 214 -17.173 46.757 6.391 1.00 20.30 C ATOM 2594 CG MET B 214 -17.026 45.449 5.748 1.00 21.58 C ATOM 2595 SD MET B 214 -18.054 45.419 4.274 1.00 26.93 S ATOM 2596 CE MET B 214 -17.841 43.710 3.798 1.00 24.55 C ATOM 2597 N TYR B 215 -16.086 44.732 8.851 1.00 17.35 N ATOM 2598 CA TYR B 215 -16.434 43.706 9.802 1.00 16.78 C ATOM 2599 C TYR B 215 -16.016 44.077 11.243 1.00 17.09 C ATOM 2600 O TYR B 215 -16.217 43.295 12.146 1.00 16.86 O ATOM 2601 CB TYR B 215 -15.744 42.405 9.425 1.00 17.07 C ATOM 2602 CG TYR B 215 -16.269 41.789 8.120 1.00 15.03 C ATOM 2603 CD1 TYR B 215 -15.381 41.256 7.200 1.00 16.83 C ATOM 2604 CD2 TYR B 215 -17.662 41.724 7.854 1.00 15.94 C ATOM 2605 CE1 TYR B 215 -15.841 40.661 6.005 1.00 15.70 C ATOM 2606 CE2 TYR B 215 -18.136 41.144 6.648 1.00 16.30 C ATOM 2607 CZ TYR B 215 -17.211 40.626 5.742 1.00 14.71 C ATOM 2608 OH TYR B 215 -17.646 40.019 4.573 1.00 16.18 O ATOM 2609 N ASN B 216 -15.375 45.235 11.427 1.00 16.03 N ATOM 2610 CA ASN B 216 -14.810 45.553 12.762 1.00 17.74 C ATOM 2611 C ASN B 216 -15.829 45.834 13.864 1.00 17.59 C ATOM 2612 O ASN B 216 -15.474 45.838 15.064 1.00 18.74 O ATOM 2613 CB ASN B 216 -13.688 46.633 12.672 1.00 17.25 C ATOM 2614 CG ASN B 216 -14.203 48.043 12.355 1.00 19.08 C ATOM 2615 OD1 ASN B 216 -13.410 49.022 12.351 1.00 22.99 O ATOM 2616 ND2 ASN B 216 -15.473 48.173 12.087 1.00 15.28 N ATOM 2617 N ASP B 217 -17.084 46.050 13.469 1.00 18.10 N ATOM 2618 CA ASP B 217 -18.186 46.248 14.443 1.00 19.44 C ATOM 2619 C ASP B 217 -18.577 44.949 15.144 1.00 19.59 C ATOM 2620 O ASP B 217 -19.335 44.995 16.124 1.00 18.60 O ATOM 2621 CB ASP B 217 -19.424 46.922 13.809 1.00 20.12 C ATOM 2622 CG ASP B 217 -20.081 46.061 12.687 1.00 22.95 C ATOM 2623 OD1 ASP B 217 -19.593 44.943 12.393 1.00 23.69 O ATOM 2624 OD2 ASP B 217 -21.079 46.536 12.084 1.00 25.63 O ATOM 2625 N ASN B 218 -18.079 43.809 14.636 1.00 19.20 N ATOM 2626 CA ASN B 218 -18.347 42.483 15.219 1.00 19.78 C ATOM 2627 C ASN B 218 -19.861 42.235 15.325 1.00 20.38 C ATOM 2628 O ASN B 218 -20.350 41.654 16.303 1.00 20.46 O ATOM 2629 CB ASN B 218 -17.653 42.344 16.599 1.00 20.35 C ATOM 2630 CG ASN B 218 -17.275 40.907 16.923 1.00 22.62 C ATOM 2631 OD1 ASN B 218 -16.279 40.406 16.450 1.00 27.49 O ATOM 2632 ND2 ASN B 218 -18.042 40.272 17.786 1.00 27.83 N ATOM 2633 N LYS B 219 -20.607 42.739 14.339 1.00 19.44 N ATOM 2634 CA LYS B 219 -22.056 42.614 14.354 1.00 19.58 C ATOM 2635 C LYS B 219 -22.411 41.135 14.388 1.00 19.29 C ATOM 2636 O LYS B 219 -21.845 40.334 13.625 1.00 17.48 O ATOM 2637 CB LYS B 219 -22.673 43.306 13.112 1.00 20.63 C ATOM 2638 CG LYS B 219 -24.148 42.985 12.877 1.00 21.78 C ATOM 2639 CD LYS B 219 -25.029 43.666 13.893 1.00 27.73 C ATOM 2640 CE LYS B 219 -26.467 43.348 13.618 1.00 30.52 C ATOM 2641 NZ LYS B 219 -27.261 43.645 14.823 1.00 33.28 N ATOM 2642 N THR B 220 -23.326 40.763 15.307 1.00 19.54 N ATOM 2643 CA THR B 220 -23.840 39.392 15.397 1.00 20.28 C ATOM 2644 C THR B 220 -25.367 39.377 15.135 1.00 20.85 C ATOM 2645 O THR B 220 -26.078 40.395 15.293 1.00 20.91 O ATOM 2646 CB THR B 220 -23.558 38.743 16.786 1.00 21.47 C ATOM 2647 OG1 THR B 220 -24.103 39.589 17.799 1.00 23.22 O ATOM 2648 CG2 THR B 220 -22.043 38.561 17.014 1.00 22.82 C ATOM 2649 N VAL B 221 -25.819 38.229 14.663 1.00 21.18 N ATOM 2650 CA VAL B 221 -27.220 37.961 14.399 1.00 21.88 C ATOM 2651 C VAL B 221 -27.610 36.586 14.993 1.00 22.45 C ATOM 2652 O VAL B 221 -26.762 35.713 15.223 1.00 22.91 O ATOM 2653 CB VAL B 221 -27.530 38.011 12.865 1.00 20.91 C ATOM 2654 CG1 VAL B 221 -27.279 39.423 12.301 1.00 22.50 C ATOM 2655 CG2 VAL B 221 -26.739 36.946 12.110 1.00 21.02 C ATOM 2656 N ASP B 222 -28.910 36.406 15.225 1.00 23.74 N ATOM 2657 CA ASP B 222 -29.441 35.174 15.747 1.00 24.95 C ATOM 2658 C ASP B 222 -29.603 34.193 14.579 1.00 24.91 C ATOM 2659 O ASP B 222 -30.438 34.409 13.697 1.00 24.31 O ATOM 2660 CB ASP B 222 -30.784 35.476 16.424 1.00 26.77 C ATOM 2661 CG ASP B 222 -31.494 34.222 16.899 1.00 31.84 C ATOM 2662 OD1 ASP B 222 -30.934 33.517 17.767 1.00 37.23 O ATOM 2663 OD2 ASP B 222 -32.613 33.944 16.401 1.00 37.18 O ATOM 2664 N SER B 223 -28.804 33.133 14.564 1.00 24.92 N ATOM 2665 CA SER B 223 -28.773 32.228 13.399 1.00 26.09 C ATOM 2666 C SER B 223 -30.109 31.532 13.139 1.00 27.39 C ATOM 2667 O SER B 223 -30.388 31.140 12.008 1.00 26.84 O ATOM 2668 CB SER B 223 -27.687 31.179 13.525 1.00 26.14 C ATOM 2669 OG SER B 223 -27.902 30.320 14.649 1.00 25.58 O ATOM 2670 N LYS B 224 -30.905 31.362 14.193 1.00 28.04 N ATOM 2671 CA LYS B 224 -32.174 30.618 14.082 1.00 30.28 C ATOM 2672 C LYS B 224 -33.237 31.423 13.313 1.00 29.88 C ATOM 2673 O LYS B 224 -34.123 30.842 12.684 1.00 31.47 O ATOM 2674 CB LYS B 224 -32.669 30.189 15.488 1.00 30.41 C ATOM 2675 CG LYS B 224 -34.105 29.611 15.559 1.00 36.68 C ATOM 2676 CD LYS B 224 -34.317 28.373 14.642 1.00 42.85 C ATOM 2677 CE LYS B 224 -34.176 27.024 15.377 1.00 46.11 C ATOM 2678 NZ LYS B 224 -35.367 26.753 16.262 1.00 48.33 N ATOM 2679 N SER B 225 -33.136 32.748 13.329 1.00 29.07 N ATOM 2680 CA SER B 225 -34.185 33.618 12.802 1.00 28.23 C ATOM 2681 C SER B 225 -33.750 34.584 11.687 1.00 28.00 C ATOM 2682 O SER B 225 -34.595 35.118 10.981 1.00 27.84 O ATOM 2683 CB SER B 225 -34.816 34.440 13.925 1.00 28.95 C ATOM 2684 OG SER B 225 -33.907 35.376 14.490 1.00 29.21 O ATOM 2685 N VAL B 226 -32.443 34.824 11.540 1.00 25.97 N ATOM 2686 CA VAL B 226 -31.985 35.805 10.552 1.00 24.95 C ATOM 2687 C VAL B 226 -32.290 35.318 9.122 1.00 24.53 C ATOM 2688 O VAL B 226 -32.286 34.116 8.867 1.00 25.19 O ATOM 2689 CB VAL B 226 -30.459 36.120 10.724 1.00 25.07 C ATOM 2690 CG1 VAL B 226 -29.600 34.896 10.391 1.00 24.41 C ATOM 2691 CG2 VAL B 226 -30.056 37.352 9.891 1.00 23.27 C ATOM 2692 N LYS B 227 -32.551 36.256 8.217 1.00 24.80 N ATOM 2693 CA LYS B 227 -32.715 35.961 6.786 1.00 25.55 C ATOM 2694 C LYS B 227 -31.643 36.714 5.969 1.00 24.23 C ATOM 2695 O LYS B 227 -31.212 37.786 6.358 1.00 24.38 O ATOM 2696 CB LYS B 227 -34.098 36.410 6.305 1.00 27.09 C ATOM 2697 CG LYS B 227 -35.277 35.788 7.048 1.00 30.83 C ATOM 2698 CD LYS B 227 -36.578 36.562 6.801 1.00 38.02 C ATOM 2699 CE LYS B 227 -36.959 36.562 5.318 1.00 42.46 C ATOM 2700 NZ LYS B 227 -38.449 36.479 5.068 1.00 47.61 N ATOM 2701 N ILE B 228 -31.222 36.144 4.846 1.00 23.14 N ATOM 2702 CA ILE B 228 -30.156 36.743 4.039 1.00 22.26 C ATOM 2703 C ILE B 228 -30.660 36.823 2.612 1.00 22.35 C ATOM 2704 O ILE B 228 -31.283 35.889 2.130 1.00 21.10 O ATOM 2705 CB ILE B 228 -28.852 35.889 4.091 1.00 23.06 C ATOM 2706 CG1 ILE B 228 -28.227 35.837 5.495 1.00 25.96 C ATOM 2707 CG2 ILE B 228 -27.765 36.451 3.176 1.00 21.73 C ATOM 2708 CD1 ILE B 228 -29.020 35.081 6.474 1.00 35.75 C ATOM 2709 N GLU B 229 -30.411 37.943 1.944 1.00 21.61 N ATOM 2710 CA GLU B 229 -30.675 38.031 0.508 1.00 21.17 C ATOM 2711 C GLU B 229 -29.443 38.571 -0.162 1.00 20.82 C ATOM 2712 O GLU B 229 -28.806 39.505 0.369 1.00 20.99 O ATOM 2713 CB GLU B 229 -31.843 38.973 0.228 1.00 21.26 C ATOM 2714 CG GLU B 229 -33.152 38.612 0.935 1.00 24.13 C ATOM 2715 CD GLU B 229 -34.245 39.642 0.668 1.00 28.99 C ATOM 2716 OE1 GLU B 229 -33.937 40.748 0.151 1.00 29.20 O ATOM 2717 OE2 GLU B 229 -35.420 39.357 1.004 1.00 31.80 O ATOM 2718 N VAL B 230 -29.086 37.983 -1.305 1.00 19.84 N ATOM 2719 CA VAL B 230 -27.968 38.497 -2.107 1.00 19.59 C ATOM 2720 C VAL B 230 -28.547 39.089 -3.383 1.00 20.32 C ATOM 2721 O VAL B 230 -29.245 38.394 -4.110 1.00 20.30 O ATOM 2722 CB VAL B 230 -26.944 37.396 -2.418 1.00 19.98 C ATOM 2723 CG1 VAL B 230 -25.869 37.874 -3.399 1.00 20.32 C ATOM 2724 CG2 VAL B 230 -26.317 36.858 -1.100 1.00 20.11 C ATOM 2725 N HIS B 231 -28.264 40.365 -3.663 1.00 19.39 N ATOM 2726 CA HIS B 231 -28.878 41.033 -4.825 1.00 19.43 C ATOM 2727 C HIS B 231 -27.783 41.415 -5.796 1.00 19.44 C ATOM 2728 O HIS B 231 -26.920 42.270 -5.493 1.00 19.68 O ATOM 2729 CB HIS B 231 -29.673 42.271 -4.417 1.00 19.75 C ATOM 2730 CG HIS B 231 -30.853 41.987 -3.539 1.00 22.78 C ATOM 2731 ND1 HIS B 231 -32.135 41.908 -4.031 1.00 26.15 N ATOM 2732 CD2 HIS B 231 -30.948 41.803 -2.203 1.00 24.54 C ATOM 2733 CE1 HIS B 231 -32.973 41.663 -3.037 1.00 25.73 C ATOM 2734 NE2 HIS B 231 -32.278 41.607 -1.913 1.00 27.19 N ATOM 2735 N LEU B 232 -27.822 40.791 -6.962 1.00 19.22 N ATOM 2736 CA LEU B 232 -26.800 40.964 -8.006 1.00 19.12 C ATOM 2737 C LEU B 232 -27.402 41.550 -9.266 1.00 20.75 C ATOM 2738 O LEU B 232 -28.569 41.268 -9.563 1.00 20.75 O ATOM 2739 CB LEU B 232 -26.177 39.616 -8.368 1.00 19.13 C ATOM 2740 CG LEU B 232 -25.674 38.773 -7.194 1.00 20.85 C ATOM 2741 CD1 LEU B 232 -25.258 37.410 -7.634 1.00 21.88 C ATOM 2742 CD2 LEU B 232 -24.492 39.520 -6.558 1.00 20.60 C ATOM 2743 N THR B 233 -26.616 42.345 -9.997 1.00 21.18 N ATOM 2744 CA THR B 233 -27.016 42.779 -11.356 1.00 22.88 C ATOM 2745 C THR B 233 -25.922 42.454 -12.346 1.00 24.97 C ATOM 2746 O THR B 233 -24.737 42.396 -11.981 1.00 22.84 O ATOM 2747 CB THR B 233 -27.309 44.269 -11.408 1.00 23.08 C ATOM 2748 OG1 THR B 233 -26.091 44.997 -11.174 1.00 23.21 O ATOM 2749 CG2 THR B 233 -28.407 44.656 -10.370 1.00 24.52 C ATOM 2750 N THR B 234 -26.277 42.271 -13.622 1.00 27.68 N ATOM 2751 CA THR B 234 -25.263 41.866 -14.606 1.00 30.96 C ATOM 2752 C THR B 234 -24.780 42.965 -15.534 1.00 34.24 C ATOM 2753 O THR B 234 -25.485 43.968 -15.746 1.00 33.63 O ATOM 2754 CB THR B 234 -25.768 40.713 -15.477 1.00 31.60 C ATOM 2755 OG1 THR B 234 -27.008 41.111 -16.082 1.00 28.74 O ATOM 2756 CG2 THR B 234 -25.986 39.499 -14.626 1.00 31.99 C ATOM 2757 N LYS B 235 -23.564 42.726 -16.065 1.00 38.62 N ATOM 2758 CA LYS B 235 -22.850 43.491 -17.140 1.00 42.15 C ATOM 2759 C LYS B 235 -21.971 44.663 -16.680 1.00 43.51 C ATOM 2760 O LYS B 235 -20.776 44.482 -16.351 1.00 45.37 O ATOM 2761 CB LYS B 235 -23.764 43.909 -18.306 1.00 43.07 C ATOM 2762 CG LYS B 235 -24.263 42.747 -19.155 1.00 46.19 C ATOM 2763 CD LYS B 235 -25.534 43.150 -19.927 1.00 51.63 C ATOM 2764 CE LYS B 235 -26.677 43.585 -18.976 1.00 53.90 C ATOM 2765 NZ LYS B 235 -27.850 44.205 -19.664 1.00 54.06 N TER 2766 LYS B 235 HETATM 2767 ZN ZN B1001 -17.812 27.427 20.797 1.00 54.13 ZN HETATM 2768 NA NA B1002 -10.902 35.477 -15.091 1.00 39.34 NA HETATM 2769 NA NA B1003 -11.322 32.427 -12.369 1.00 48.03 NA HETATM 2770 NA NA B1004 -20.739 37.084 21.816 1.00 40.92 NA HETATM 2771 S SO4 B 500 -10.195 53.574 20.378 1.00 44.82 S HETATM 2772 O1 SO4 B 500 -11.258 53.272 21.339 1.00 41.37 O HETATM 2773 O2 SO4 B 500 -9.266 52.465 20.186 1.00 45.68 O HETATM 2774 O3 SO4 B 500 -10.785 53.997 19.085 1.00 46.92 O HETATM 2775 O4 SO4 B 500 -9.407 54.684 20.924 1.00 48.30 O HETATM 2776 S SO4 B 501 -4.314 31.036 4.269 1.00 53.88 S HETATM 2777 O1 SO4 B 501 -4.817 29.867 4.980 1.00 54.75 O HETATM 2778 O2 SO4 B 501 -2.868 31.027 4.427 1.00 55.15 O HETATM 2779 O3 SO4 B 501 -4.641 30.942 2.848 1.00 56.00 O HETATM 2780 O4 SO4 B 501 -4.878 32.271 4.814 1.00 52.64 O HETATM 2781 S SO4 B 502 -37.731 34.090 -13.133 1.00 43.30 S HETATM 2782 O1 SO4 B 502 -38.772 33.091 -13.315 1.00 44.61 O HETATM 2783 O2 SO4 B 502 -36.670 33.509 -12.305 1.00 45.18 O HETATM 2784 O3 SO4 B 502 -37.159 34.456 -14.429 1.00 43.86 O HETATM 2785 O4 SO4 B 502 -38.272 35.281 -12.470 1.00 43.29 O HETATM 2786 S SO4 B 503 -7.041 45.865 29.280 1.00 66.00 S HETATM 2787 O1 SO4 B 503 -6.818 44.702 30.138 1.00 66.57 O HETATM 2788 O2 SO4 B 503 -5.788 46.245 28.638 1.00 66.74 O HETATM 2789 O3 SO4 B 503 -8.016 45.551 28.235 1.00 64.99 O HETATM 2790 O4 SO4 B 503 -7.502 46.958 30.131 1.00 65.40 O HETATM 2791 S SO4 B 504 -5.981 53.538 -8.300 1.00 74.50 S HETATM 2792 O1 SO4 B 504 -4.552 53.229 -8.251 1.00 74.91 O HETATM 2793 O2 SO4 B 504 -6.214 54.903 -7.835 1.00 75.17 O HETATM 2794 O3 SO4 B 504 -6.459 53.407 -9.676 1.00 74.36 O HETATM 2795 O4 SO4 B 504 -6.715 52.635 -7.420 1.00 75.10 O HETATM 2796 O HOH A 118 -4.043 44.408 -11.164 1.00 19.93 O HETATM 2797 O HOH A 119 -3.309 39.785 1.758 1.00 19.13 O HETATM 2798 O HOH A 120 -3.004 39.881 -11.298 1.00 21.74 O HETATM 2799 O HOH A 121 -5.184 37.956 -7.343 1.00 23.47 O HETATM 2800 O HOH A 122 2.858 38.572 2.511 1.00 24.67 O HETATM 2801 O HOH A 123 -3.193 34.713 -4.568 1.00 28.21 O HETATM 2802 O HOH A 124 14.803 35.131 -3.010 1.00 30.97 O HETATM 2803 O HOH A 125 10.569 32.393 0.901 1.00 33.70 O HETATM 2804 O HOH A 126 -5.917 44.794 -8.117 1.00 22.34 O HETATM 2805 O HOH A 127 -4.699 45.659 -5.278 1.00 30.61 O HETATM 2806 O HOH A 128 11.295 39.707 4.000 1.00 31.27 O HETATM 2807 O HOH A 129 10.724 42.410 1.400 1.00 30.50 O HETATM 2808 O HOH A 130 5.745 45.177 -1.087 1.00 40.30 O HETATM 2809 O HOH A 131 -2.959 31.524 0.861 1.00 29.59 O HETATM 2810 O HOH A 132 9.755 26.017 -7.991 1.00 40.91 O HETATM 2811 O HOH A 133 -4.881 36.727 -4.909 1.00 25.25 O HETATM 2812 O HOH A 134 19.514 37.033 -9.807 1.00 35.21 O HETATM 2813 O HOH A 135 12.566 45.020 -20.951 1.00 39.09 O HETATM 2814 O HOH A 136 -2.522 47.493 -9.869 1.00 41.22 O HETATM 2815 O HOH A 137 -1.872 41.509 -22.271 1.00 40.75 O HETATM 2816 O HOH A 138 -6.165 36.621 -17.026 1.00 45.93 O HETATM 2817 O HOH A 139 -1.601 31.824 -30.600 1.00 62.61 O HETATM 2818 O HOH A 140 7.896 31.511 4.357 1.00 37.50 O HETATM 2819 O HOH A 141 10.919 29.745 5.067 1.00 47.00 O HETATM 2820 O HOH A 142 0.087 38.086 -22.500 1.00 36.57 O HETATM 2821 O HOH A 143 12.073 45.497 -23.295 1.00 52.84 O HETATM 2822 O HOH A 144 -3.894 32.231 -3.715 1.00 36.04 O HETATM 2823 O HOH A 145 1.213 21.854 -15.113 1.00 45.85 O HETATM 2824 O HOH A 146 8.662 44.839 -17.436 1.00 40.09 O HETATM 2825 O HOH A 147 14.394 39.959 -32.493 1.00 47.97 O HETATM 2826 O HOH A 148 -3.760 30.131 -21.167 1.00 46.71 O HETATM 2827 O HOH A 149 22.677 38.878 -1.768 1.00 44.07 O HETATM 2828 O HOH A 150 6.787 44.778 -18.952 1.00 35.21 O HETATM 2829 O HOH A 151 19.966 42.383 -6.039 1.00 36.15 O HETATM 2830 O HOH A 152 19.932 39.752 -9.652 1.00 48.82 O HETATM 2831 O HOH A 153 7.471 18.210 -20.809 1.00 51.22 O HETATM 2832 O HOH A 154 -6.589 36.568 -19.606 1.00 46.79 O HETATM 2833 O HOH A 155 15.777 27.149 -19.137 1.00 47.10 O HETATM 2834 O HOH A 156 18.602 34.325 -14.429 1.00 42.69 O HETATM 2835 O HOH A 157 15.693 28.853 -10.945 1.00 46.87 O HETATM 2836 O HOH A 158 9.623 43.057 -0.952 1.00 35.83 O HETATM 2837 O HOH A 159 -0.910 46.710 -12.105 1.00 39.04 O HETATM 2838 O HOH A 160 -1.292 22.577 -13.780 1.00 50.27 O HETATM 2839 O HOH A 161 13.741 41.397 1.368 1.00 40.60 O HETATM 2840 O HOH A 162 -5.359 38.840 -16.255 1.00 40.97 O HETATM 2841 O HOH A 163 21.471 32.371 -5.931 1.00 51.73 O HETATM 2842 O HOH A 164 10.329 45.722 -19.018 1.00 39.09 O HETATM 2843 O HOH A 165 12.300 20.004 -15.540 1.00 47.32 O HETATM 2844 O HOH A 166 19.649 35.099 -1.316 1.00 43.95 O HETATM 2845 O HOH A 167 8.130 35.941 -26.090 1.00 44.74 O HETATM 2846 O HOH A 168 13.681 30.405 3.818 1.00 49.45 O HETATM 2847 O HOH A 169 16.670 44.007 -29.362 1.00 40.01 O HETATM 2848 O HOH A 170 18.761 37.241 -15.769 1.00 49.47 O HETATM 2849 O HOH A 171 4.335 23.853 -11.584 1.00 49.22 O HETATM 2850 O HOH A 172 20.360 34.590 -6.891 1.00 55.68 O HETATM 2851 O HOH A 173 11.562 20.654 -13.142 1.00 54.30 O HETATM 2852 O HOH A 174 6.744 45.854 -6.996 1.00 39.60 O HETATM 2853 O HOH A 175 5.738 40.857 -25.277 1.00 56.75 O HETATM 2854 O HOH A 176 -7.360 43.136 -18.364 1.00 45.51 O HETATM 2855 O HOH A 177 -4.609 31.502 -17.963 1.00 52.03 O HETATM 2856 O HOH B1005 -19.940 40.543 11.698 1.00 13.75 O HETATM 2857 O HOH B1006 -11.883 40.207 8.696 1.00 15.17 O HETATM 2858 O HOH B1007 -22.012 46.549 -5.921 1.00 17.89 O HETATM 2859 O HOH B1008 -10.527 36.340 24.151 1.00 18.79 O HETATM 2860 O HOH B1009 -19.107 34.081 13.822 1.00 18.03 O HETATM 2861 O HOH B1010 -8.794 32.108 -1.358 1.00 20.82 O HETATM 2862 O HOH B1011 -17.201 40.618 12.441 1.00 17.16 O HETATM 2863 O HOH B1012 -4.285 45.089 2.490 1.00 20.28 O HETATM 2864 O HOH B1013 -17.254 33.755 15.880 1.00 19.16 O HETATM 2865 O HOH B1014 -19.348 31.220 19.854 1.00 22.85 O HETATM 2866 O HOH B1015 -15.396 48.143 27.474 1.00 24.72 O HETATM 2867 O HOH B1016 -31.094 41.804 -8.261 1.00 26.46 O HETATM 2868 O HOH B1017 -10.693 48.755 -5.096 1.00 22.76 O HETATM 2869 O HOH B1018 -14.289 31.137 2.485 1.00 21.38 O HETATM 2870 O HOH B1019 -15.486 29.445 14.650 1.00 22.91 O HETATM 2871 O HOH B1020 -15.736 49.951 -8.582 1.00 21.66 O HETATM 2872 O HOH B1021 -21.755 26.569 5.110 1.00 30.49 O HETATM 2873 O HOH B1022 -9.897 49.384 -2.540 1.00 25.63 O HETATM 2874 O HOH B1023 4.537 47.000 10.949 1.00 34.16 O HETATM 2875 O HOH B1024 -19.884 43.061 10.464 1.00 19.76 O HETATM 2876 O HOH B1025 -16.350 29.738 4.054 1.00 24.22 O HETATM 2877 O HOH B1026 -13.747 44.217 -12.673 1.00 25.11 O HETATM 2878 O HOH B1027 6.491 38.142 13.055 1.00 24.40 O HETATM 2879 O HOH B1028 -6.685 43.842 11.046 1.00 23.99 O HETATM 2880 O HOH B1029 -5.338 32.255 21.783 1.00 25.69 O HETATM 2881 O HOH B1030 -7.690 29.057 11.134 1.00 25.45 O HETATM 2882 O HOH B1031 -13.118 48.154 -1.944 1.00 25.64 O HETATM 2883 O HOH B1032 -27.099 44.755 -6.805 1.00 26.27 O HETATM 2884 O HOH B1033 -30.644 38.847 14.993 1.00 29.68 O HETATM 2885 O HOH B1034 2.877 40.678 7.348 1.00 29.94 O HETATM 2886 O HOH B1035 -17.039 31.384 26.924 1.00 32.94 O HETATM 2887 O HOH B1036 -10.820 48.573 13.387 1.00 32.98 O HETATM 2888 O HOH B1037 -35.423 37.524 10.079 1.00 30.11 O HETATM 2889 O HOH B1038 -34.609 33.498 -15.047 1.00 29.65 O HETATM 2890 O HOH B1039 -32.633 37.599 13.385 1.00 32.78 O HETATM 2891 O HOH B1040 -4.533 44.486 -0.106 1.00 30.50 O HETATM 2892 O HOH B1041 -37.967 33.022 -9.499 1.00 35.71 O HETATM 2893 O HOH B1042 -16.057 47.699 3.016 1.00 31.56 O HETATM 2894 O HOH B1043 -6.405 30.065 24.278 1.00 33.76 O HETATM 2895 O HOH B1044 3.660 32.458 3.985 1.00 26.20 O HETATM 2896 O HOH B1045 -23.381 25.907 24.366 1.00 38.75 O HETATM 2897 O HOH B1046 -32.393 31.486 10.080 1.00 32.87 O HETATM 2898 O HOH B1047 -3.543 51.976 21.678 1.00 35.46 O HETATM 2899 O HOH B1048 -36.250 31.046 -2.624 1.00 30.95 O HETATM 2900 O HOH B1049 -17.806 51.884 -8.722 1.00 26.90 O HETATM 2901 O HOH B1050 -7.525 31.549 5.559 1.00 30.99 O HETATM 2902 O HOH B1051 2.699 44.072 3.334 1.00 36.90 O HETATM 2903 O HOH B1052 2.555 37.519 4.977 1.00 28.01 O HETATM 2904 O HOH B1053 -11.001 48.603 -0.400 1.00 24.89 O HETATM 2905 O HOH B1054 -22.798 45.527 10.309 1.00 28.44 O HETATM 2906 O HOH B1055 -2.263 29.445 23.593 1.00 44.19 O HETATM 2907 O HOH B1056 -1.010 28.891 17.191 1.00 33.14 O HETATM 2908 O HOH B1057 -5.152 43.308 -3.315 1.00 26.13 O HETATM 2909 O HOH B1058 -19.787 27.997 1.865 1.00 28.96 O HETATM 2910 O HOH B1059 -8.598 44.812 25.634 1.00 30.75 O HETATM 2911 O HOH B1060 -13.408 53.620 16.439 1.00 29.03 O HETATM 2912 O HOH B1061 -24.009 42.865 17.359 1.00 29.23 O HETATM 2913 O HOH B1062 -30.020 31.373 17.056 1.00 30.48 O HETATM 2914 O HOH B1063 -9.628 25.779 17.536 1.00 35.59 O HETATM 2915 O HOH B1064 -4.395 46.426 -12.812 1.00 35.57 O HETATM 2916 O HOH B1065 -33.946 35.328 2.565 1.00 31.76 O HETATM 2917 O HOH B1066 -14.542 32.007 -9.874 1.00 39.51 O HETATM 2918 O HOH B1067 -16.680 27.103 7.059 1.00 34.41 O HETATM 2919 O HOH B1068 -34.198 40.461 -15.440 1.00 33.64 O HETATM 2920 O HOH B1069 -35.892 37.516 2.617 1.00 45.52 O HETATM 2921 O HOH B1070 -13.345 37.584 -15.359 1.00 34.33 O HETATM 2922 O HOH B1071 -31.215 29.344 -11.662 1.00 35.28 O HETATM 2923 O HOH B1072 -14.770 33.052 29.166 1.00 39.75 O HETATM 2924 O HOH B1073 -2.354 23.362 7.489 1.00 47.79 O HETATM 2925 O HOH B1074 -9.818 54.252 28.356 1.00 40.36 O HETATM 2926 O HOH B1075 -4.081 46.774 15.061 1.00 30.84 O HETATM 2927 O HOH B1076 2.233 38.188 7.736 1.00 32.51 O HETATM 2928 O HOH B1077 3.193 40.961 4.281 1.00 35.21 O HETATM 2929 O HOH B1078 -31.456 24.211 10.713 1.00 36.39 O HETATM 2930 O HOH B1079 -3.906 47.763 3.051 1.00 38.06 O HETATM 2931 O HOH B1080 -32.965 30.659 7.408 1.00 35.96 O HETATM 2932 O HOH B1081 6.163 51.604 15.907 1.00 50.73 O HETATM 2933 O HOH B1082 7.138 36.655 15.652 1.00 36.04 O HETATM 2934 O HOH B1083 -7.906 34.522 -6.019 1.00 39.36 O HETATM 2935 O HOH B1084 -33.347 33.617 4.626 1.00 39.54 O HETATM 2936 O HOH B1085 -15.380 28.716 -3.635 1.00 44.05 O HETATM 2937 O HOH B1086 -6.484 29.802 7.293 1.00 39.50 O HETATM 2938 O HOH B1087 -21.510 25.699 26.067 1.00 48.61 O HETATM 2939 O HOH B1088 -6.893 30.843 1.403 1.00 37.40 O HETATM 2940 O HOH B1089 -27.489 40.737 -18.516 1.00 32.08 O HETATM 2941 O HOH B1090 7.439 50.399 12.409 1.00 47.53 O HETATM 2942 O HOH B1091 -2.999 45.370 10.422 1.00 37.01 O HETATM 2943 O HOH B1092 -8.504 32.551 -4.610 1.00 40.59 O HETATM 2944 O HOH B1093 -3.193 46.966 -1.724 1.00 45.49 O HETATM 2945 O HOH B1094 -18.505 51.636 -16.620 1.00 45.13 O HETATM 2946 O HOH B1095 -12.869 28.542 -6.713 1.00 46.53 O HETATM 2947 O HOH B1096 -30.504 45.153 -13.634 1.00 39.83 O HETATM 2948 O HOH B1097 -23.635 48.058 6.683 1.00 39.14 O HETATM 2949 O HOH B1098 2.125 28.131 3.935 1.00 47.05 O HETATM 2950 O HOH B1099 -5.199 40.098 25.038 1.00 36.46 O HETATM 2951 O HOH B1100 -13.262 46.506 -15.486 1.00 35.76 O HETATM 2952 O HOH B1101 -2.486 41.618 26.989 1.00 54.50 O HETATM 2953 O HOH B1102 -31.186 47.686 4.700 1.00 38.75 O HETATM 2954 O HOH B1103 -34.197 48.894 12.929 1.00 50.13 O HETATM 2955 O HOH B1104 -17.631 27.325 3.798 1.00 40.06 O HETATM 2956 O HOH B1105 1.769 30.784 18.241 1.00 42.00 O HETATM 2957 O HOH B1106 -3.933 47.208 7.495 1.00 39.43 O HETATM 2958 O HOH B1107 -11.148 43.796 -13.154 1.00 32.96 O HETATM 2959 O HOH B1108 -17.975 48.956 11.011 1.00 39.90 O HETATM 2960 O HOH B1109 -28.966 34.622 19.455 1.00 45.01 O HETATM 2961 O HOH B1110 -25.911 32.732 22.522 1.00 41.82 O HETATM 2962 O HOH B1111 -29.451 45.969 -7.061 1.00 33.97 O HETATM 2963 O HOH B1112 -21.917 34.025 22.288 1.00 36.78 O HETATM 2964 O HOH B1113 3.465 30.090 10.842 1.00 42.41 O HETATM 2965 O HOH B1114 -24.969 21.034 -7.609 1.00 52.95 O HETATM 2966 O HOH B1115 -1.170 27.744 22.040 1.00 53.62 O HETATM 2967 O HOH B1116 3.720 34.514 15.251 1.00 43.73 O HETATM 2968 O HOH B1117 -23.387 50.060 -14.489 1.00 42.02 O HETATM 2969 O HOH B1118 -18.039 26.787 10.694 1.00 53.93 O HETATM 2970 O HOH B1119 -20.262 42.263 19.779 1.00 46.15 O HETATM 2971 O HOH B1120 -14.757 48.827 4.687 1.00 45.68 O HETATM 2972 O HOH B1121 -26.544 42.453 17.697 1.00 58.11 O HETATM 2973 O HOH B1122 -4.730 33.715 27.098 1.00 40.25 O HETATM 2974 O HOH B1123 -18.469 53.902 -6.899 1.00 40.26 O HETATM 2975 O HOH B1124 -18.809 23.012 -5.990 1.00 58.87 O HETATM 2976 O HOH B1125 -32.754 45.073 -6.173 1.00 39.88 O HETATM 2977 O HOH B1126 12.311 51.509 7.502 1.00 39.23 O HETATM 2978 O HOH B1127 -5.514 26.515 15.900 1.00 38.23 O HETATM 2979 O HOH B1128 -12.653 40.362 28.865 1.00 42.09 O HETATM 2980 O HOH B1129 -15.173 25.845 10.051 1.00 58.40 O HETATM 2981 O HOH B1130 -12.998 51.578 28.567 1.00 36.62 O HETATM 2982 O HOH B1131 -16.689 23.065 25.876 1.00 57.39 O HETATM 2983 O HOH B1132 -11.601 54.345 -5.349 1.00 40.11 O HETATM 2984 O HOH B1133 -16.573 55.313 -4.945 1.00 58.79 O HETATM 2985 O HOH B1134 -36.684 41.658 2.341 1.00 50.17 O HETATM 2986 O HOH B1135 -18.259 40.668 28.479 1.00 62.59 O HETATM 2987 O HOH B1136 -14.418 38.924 30.490 1.00 48.92 O HETATM 2988 O HOH B1137 2.445 43.098 20.193 1.00 50.96 O HETATM 2989 O HOH B1138 -10.888 51.392 14.071 1.00 52.49 O HETATM 2990 O HOH B1139 -12.453 53.229 -12.985 1.00 40.49 O HETATM 2991 O HOH B1140 -35.949 46.671 4.861 1.00 46.10 O HETATM 2992 O HOH B1141 -4.774 31.236 25.897 1.00 49.24 O HETATM 2993 O HOH B1142 -35.133 31.383 -12.318 1.00 41.36 O HETATM 2994 O HOH B1143 -5.738 51.244 4.111 1.00 40.22 O HETATM 2995 O HOH B1144 -28.922 49.126 10.747 1.00 56.27 O HETATM 2996 O HOH B1145 -11.523 38.351 -18.072 1.00 67.53 O HETATM 2997 O HOH B1146 -9.978 25.374 12.305 1.00 49.85 O HETATM 2998 O HOH B1147 -27.713 48.042 -9.340 1.00 37.11 O HETATM 2999 O HOH B1148 -8.291 49.549 11.781 1.00 54.05 O HETATM 3000 O HOH B1149 -34.910 24.273 2.697 1.00 41.01 O HETATM 3001 O HOH B1150 -20.119 38.522 19.649 1.00 46.13 O HETATM 3002 O HOH B1151 -8.885 51.979 -6.112 1.00 38.61 O HETATM 3003 O HOH B1152 -6.962 52.071 10.343 1.00 44.67 O HETATM 3004 O HOH B1153 -34.037 26.456 3.720 1.00 44.88 O HETATM 3005 O HOH B1154 -19.794 25.918 -0.162 1.00 43.68 O HETATM 3006 O HOH B1155 -5.197 29.724 21.966 1.00 47.80 O HETATM 3007 O HOH B1156 -11.017 41.508 30.397 1.00 43.98 O HETATM 3008 O HOH B1157 -27.254 38.230 18.309 1.00 50.47 O HETATM 3009 O HOH B1158 -26.096 47.308 -12.846 1.00 41.32 O HETATM 3010 O HOH B1159 5.804 32.097 14.205 1.00 54.96 O HETATM 3011 O HOH B1160 2.389 38.534 20.007 1.00 43.99 O HETATM 3012 O HOH B1161 -19.493 33.215 28.230 1.00 52.76 O HETATM 3013 O HOH B1162 -22.905 48.444 14.317 1.00 46.00 O HETATM 3014 O HOH B1163 2.084 46.887 0.556 1.00 49.74 O HETATM 3015 O HOH B1164 -5.551 47.832 9.727 1.00 46.94 O HETATM 3016 O HOH B1165 -10.476 24.277 16.012 1.00 44.72 O HETATM 3017 O HOH B1166 -4.078 49.407 13.420 1.00 47.74 O HETATM 3018 O HOH B1167 -17.597 26.132 28.168 1.00 52.79 O HETATM 3019 O HOH B1168 -31.269 44.860 -8.203 1.00 50.47 O HETATM 3020 O HOH B1169 -32.879 42.667 -6.494 1.00 42.46 O HETATM 3021 O HOH B1170 -0.951 23.137 5.316 1.00 57.14 O HETATM 3022 O HOH B1171 6.837 49.256 5.587 1.00 51.61 O HETATM 3023 O HOH B1172 -15.251 24.706 -1.001 1.00 44.06 O HETATM 3024 O HOH B1173 3.124 35.544 5.362 1.00 35.77 O HETATM 3025 O HOH B1174 -26.458 45.632 -21.328 1.00 66.96 O HETATM 3026 O HOH B1175 -15.746 28.125 27.611 1.00 60.41 O CONECT 165 715 CONECT 715 165 CONECT 1509 2767 CONECT 1510 2767 CONECT 1592 1720 CONECT 1720 1592 CONECT 1779 2767 CONECT 1813 2767 CONECT 2767 1509 1510 1779 1813 CONECT 2770 3001 CONECT 2771 2772 2773 2774 2775 CONECT 2772 2771 CONECT 2773 2771 CONECT 2774 2771 CONECT 2775 2771 CONECT 2776 2777 2778 2779 2780 CONECT 2777 2776 CONECT 2778 2776 CONECT 2779 2776 CONECT 2780 2776 CONECT 2781 2782 2783 2784 2785 CONECT 2782 2781 CONECT 2783 2781 CONECT 2784 2781 CONECT 2785 2781 CONECT 2786 2787 2788 2789 2790 CONECT 2787 2786 CONECT 2788 2786 CONECT 2789 2786 CONECT 2790 2786 CONECT 2791 2792 2793 2794 2795 CONECT 2792 2791 CONECT 2793 2791 CONECT 2794 2791 CONECT 2795 2791 CONECT 3001 2770 MASTER 444 0 9 8 27 0 12 6 3024 2 36 28 END
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Related entries of code: 2aq2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
121aa, >2E7L_2|Chains... *
2oi9
RCSB PDB
PDBbind
121aa, >2OI9_3|Chain... at 100%
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RCSB PDB
PDBbind
110aa, >3E2H_4|Chain... at 100%
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RCSB PDB
PDBbind
111aa, >3E3Q_4|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2aq2
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
superantigen SEC3-1D3 mutant
Ligand Name
TCR V beta A52V/S54N/K66E
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=11nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Structure (London) (2005) 13, pp. 1737-8
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):
P04213
P0A0L5
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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