HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-09 3H9X TITLE CRYSTAL STRUCTURE OF THE PSPTO_3016 PROTEIN FROM TITLE 2 PSEUDOMONAS SYRINGAE, NORTHEAST STRUCTURAL GENOMICS TITLE 3 CONSORTIUM TARGET PSR293 COMPND MOL_ID: 1; COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN PSPTO_3016; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; SOURCE 3 ORGANISM_TAXID: 323; SOURCE 4 STRAIN: DC3000; SOURCE 5 GENE: PSPTO3016, PSPTO_3016; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET 21-23C KEYWDS ALPHA-BETA PROTEIN., STRUCTURAL GENOMICS, PSI-2, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR J.SEETHARAMAN,S.LEW,F.FOROUHAR,H.HAMILTON,R.XIAO, AUTHOR 2 C.CICCOSANTI,E.L.FOOTE,L.ZHAO,J.K.EVERETT,R.NAIR,T.B.ACTON, AUTHOR 3 B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) REVDAT 1 19-MAY-09 3H9X 0 JRNL AUTH J.SEETHARAMAN,S.LEW,F.FOROUHAR,H.HAMILTON,R.XIAO, JRNL AUTH 2 C.CICCOSANTI,E.L.FOOTE,L.ZHAO,J.K.EVERETT,R.NAIR, JRNL AUTH 3 T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET JRNL TITL 2 PSR293 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.51 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 & XTALVIEW REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.51 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.94 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 326319.906 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 74.4 REMARK 3 NUMBER OF REFLECTIONS : 28818 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.210 REMARK 3 FREE R VALUE : 0.245 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.600 REMARK 3 FREE R VALUE TEST SET COUNT : 2758 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 10 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.59 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 40.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1427 REMARK 3 BIN R VALUE (WORKING SET) : 0.3340 REMARK 3 BIN FREE R VALUE : 0.3460 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 160 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.027 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3884 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 37 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 49.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -16.78000 REMARK 3 B22 (A**2) : 20.47000 REMARK 3 B33 (A**2) : -3.69000 REMARK 3 B12 (A**2) : 3.89000 REMARK 3 B13 (A**2) : 0.51000 REMARK 3 B23 (A**2) : 19.07000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.33 REMARK 3 ESD FROM SIGMAA (A) : 0.50 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.39 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.53 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.90 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.01 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 26.72 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3H9X COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-MAY-09. REMARK 100 THE RCSB ID CODE IS RCSB052876. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-APR-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97896 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37487 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.9 REMARK 200 DATA REDUNDANCY : 1.900 REMARK 200 R MERGE (I) : 0.07100 REMARK 200 R SYM (I) : 0.06000 REMARK 200 FOR THE DATA SET : 12.1800 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.5 REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : 0.25500 REMARK 200 R SYM FOR SHELL (I) : 0.24900 REMARK 200 FOR SHELL : 2.370 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.47 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN SOLUTION: 100MM NACL, 5MM REMARK 280 DTT, 0.02% NAN3, 10MM TRIS-HCL (PH 7.5) . RESERVOIR SOLUTION: REMARK 280 100MM NACITRATE (PH 4.2), 20% PEG8K, AND 60MM NANO3. , VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: C 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: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU A 118 REMARK 465 GLU A 119 REMARK 465 HIS A 120 REMARK 465 HIS A 121 REMARK 465 HIS A 122 REMARK 465 HIS A 123 REMARK 465 HIS A 124 REMARK 465 HIS A 125 REMARK 465 LEU B 118 REMARK 465 GLU B 119 REMARK 465 HIS B 120 REMARK 465 HIS B 121 REMARK 465 HIS B 122 REMARK 465 HIS B 123 REMARK 465 HIS B 124 REMARK 465 HIS B 125 REMARK 465 LEU C 118 REMARK 465 GLU C 119 REMARK 465 HIS C 120 REMARK 465 HIS C 121 REMARK 465 HIS C 122 REMARK 465 HIS C 123 REMARK 465 HIS C 124 REMARK 465 HIS C 125 REMARK 465 LEU D 118 REMARK 465 GLU D 119 REMARK 465 HIS D 120 REMARK 465 HIS D 121 REMARK 465 HIS D 122 REMARK 465 HIS D 123 REMARK 465 HIS D 124 REMARK 465 HIS D 125 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 35 -87.73 -67.38 REMARK 500 ASN A 54 -156.41 -78.37 REMARK 500 ASP B 35 -87.51 -67.87 REMARK 500 ASN B 54 -155.50 -77.97 REMARK 500 ASP C 35 -87.47 -67.60 REMARK 500 ASN C 54 -155.85 -78.31 REMARK 500 ASP D 35 -87.68 -68.16 REMARK 500 ASN D 54 -156.91 -78.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: PSR293 RELATED DB: TARGETDB DBREF 3H9X A 1 117 UNP Q880Y4 Q880Y4_PSESM 1 117 DBREF 3H9X B 1 117 UNP Q880Y4 Q880Y4_PSESM 1 117 DBREF 3H9X C 1 117 UNP Q880Y4 Q880Y4_PSESM 1 117 DBREF 3H9X D 1 117 UNP Q880Y4 Q880Y4_PSESM 1 117 SEQADV 3H9X LEU A 118 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X GLU A 119 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 120 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 121 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 122 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 123 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 124 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS A 125 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X LEU B 118 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X GLU B 119 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 120 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 121 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 122 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 123 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 124 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS B 125 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X LEU C 118 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X GLU C 119 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 120 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 121 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 122 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 123 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 124 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS C 125 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X LEU D 118 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X GLU D 119 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 120 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 121 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 122 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 123 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 124 UNP Q880Y4 EXPRESSION TAG SEQADV 3H9X HIS D 125 UNP Q880Y4 EXPRESSION TAG SEQRES 1 A 125 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 A 125 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 A 125 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 A 125 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 A 125 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 A 125 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 A 125 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 A 125 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 A 125 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 A 125 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 125 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 B 125 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 B 125 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 B 125 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 B 125 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 B 125 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 B 125 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 B 125 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 B 125 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 B 125 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 C 125 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 C 125 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 C 125 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 C 125 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 C 125 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 C 125 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 C 125 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 C 125 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 C 125 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 C 125 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 D 125 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 D 125 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 D 125 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 D 125 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 D 125 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 D 125 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 D 125 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 D 125 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 D 125 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 D 125 LEU GLU HIS HIS HIS HIS HIS HIS MODRES 3H9X MSE A 1 MET SELENOMETHIONINE MODRES 3H9X MSE A 44 MET SELENOMETHIONINE MODRES 3H9X MSE A 86 MET SELENOMETHIONINE MODRES 3H9X MSE B 1 MET SELENOMETHIONINE MODRES 3H9X MSE B 44 MET SELENOMETHIONINE MODRES 3H9X MSE B 86 MET SELENOMETHIONINE MODRES 3H9X MSE C 1 MET SELENOMETHIONINE MODRES 3H9X MSE C 44 MET SELENOMETHIONINE MODRES 3H9X MSE C 86 MET SELENOMETHIONINE MODRES 3H9X MSE D 1 MET SELENOMETHIONINE MODRES 3H9X MSE D 44 MET SELENOMETHIONINE MODRES 3H9X MSE D 86 MET SELENOMETHIONINE HET MSE A 1 8 HET MSE A 44 8 HET MSE A 86 8 HET MSE B 1 8 HET MSE B 44 8 HET MSE B 86 8 HET MSE C 1 8 HET MSE C 44 8 HET MSE C 86 8 HET MSE D 1 8 HET MSE D 44 8 HET MSE D 86 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 12(C5 H11 N O2 SE) FORMUL 5 HOH *37(H2 O) HELIX 1 1 ASN A 2 TYR A 14 1 13 HELIX 2 2 GLU A 49 GLY A 52 5 4 HELIX 3 3 LEU A 70 ARG A 75 1 6 HELIX 4 4 GLY A 101 THR A 116 1 16 HELIX 5 5 ASN B 2 TYR B 14 1 13 HELIX 6 6 GLU B 49 GLY B 52 5 4 HELIX 7 7 LEU B 70 ARG B 75 1 6 HELIX 8 8 GLY B 101 THR B 116 1 16 HELIX 9 9 ASN C 2 TYR C 14 1 13 HELIX 10 10 GLU C 49 GLY C 52 5 4 HELIX 11 11 LEU C 70 ARG C 75 1 6 HELIX 12 12 GLY C 101 THR C 116 1 16 HELIX 13 13 ASN D 2 TYR D 14 1 13 HELIX 14 14 GLU D 49 GLY D 52 5 4 HELIX 15 15 LEU D 70 ARG D 75 1 6 HELIX 16 16 GLY D 101 THR D 116 1 16 SHEET 1 A 5 ALA A 29 ARG A 32 0 SHEET 2 A 5 TRP A 39 PRO A 47 -1 O LEU A 43 N ALA A 29 SHEET 3 A 5 ARG A 58 LYS A 65 -1 O VAL A 59 N ILE A 46 SHEET 4 A 5 TRP A 91 LEU A 95 -1 O VAL A 94 N ILE A 62 SHEET 5 A 5 ILE A 80 PRO A 82 -1 N TYR A 81 O THR A 93 SHEET 1 B 5 ALA B 29 ARG B 32 0 SHEET 2 B 5 TRP B 39 PRO B 47 -1 O LEU B 43 N ALA B 29 SHEET 3 B 5 ARG B 58 LYS B 65 -1 O VAL B 59 N ILE B 46 SHEET 4 B 5 TRP B 91 LEU B 95 -1 O VAL B 94 N ILE B 62 SHEET 5 B 5 ILE B 80 PRO B 82 -1 N TYR B 81 O THR B 93 SHEET 1 C 5 ALA C 29 ARG C 32 0 SHEET 2 C 5 TRP C 39 PRO C 47 -1 O LEU C 43 N ALA C 29 SHEET 3 C 5 ARG C 58 LYS C 65 -1 O VAL C 59 N ILE C 46 SHEET 4 C 5 TRP C 91 LEU C 95 -1 O VAL C 94 N ILE C 62 SHEET 5 C 5 ILE C 80 PRO C 82 -1 N TYR C 81 O THR C 93 SHEET 1 D 5 ALA D 29 ARG D 32 0 SHEET 2 D 5 TRP D 39 PRO D 47 -1 O LEU D 43 N ALA D 29 SHEET 3 D 5 ARG D 58 LYS D 65 -1 O VAL D 59 N ILE D 46 SHEET 4 D 5 TRP D 91 LEU D 95 -1 O VAL D 94 N ILE D 62 SHEET 5 D 5 ILE D 80 PRO D 82 -1 N TYR D 81 O THR D 93 LINK C MSE A 1 N ASN A 2 1555 1555 1.33 LINK C LEU A 43 N MSE A 44 1555 1555 1.33 LINK C MSE A 44 N ASP A 45 1555 1555 1.32 LINK C HIS A 85 N MSE A 86 1555 1555 1.33 LINK C MSE A 86 N ASN A 87 1555 1555 1.33 LINK C MSE B 1 N ASN B 2 1555 1555 1.33 LINK C LEU B 43 N MSE B 44 1555 1555 1.33 LINK C MSE B 44 N ASP B 45 1555 1555 1.32 LINK C HIS B 85 N MSE B 86 1555 1555 1.33 LINK C MSE B 86 N ASN B 87 1555 1555 1.33 LINK C MSE C 1 N ASN C 2 1555 1555 1.33 LINK C LEU C 43 N MSE C 44 1555 1555 1.33 LINK C MSE C 44 N ASP C 45 1555 1555 1.33 LINK C HIS C 85 N MSE C 86 1555 1555 1.33 LINK C MSE C 86 N ASN C 87 1555 1555 1.32 LINK C MSE D 1 N ASN D 2 1555 1555 1.33 LINK C LEU D 43 N MSE D 44 1555 1555 1.33 LINK C MSE D 44 N ASP D 45 1555 1555 1.32 LINK C HIS D 85 N MSE D 86 1555 1555 1.33 LINK C MSE D 86 N ASN D 87 1555 1555 1.33 CRYST1 44.302 48.546 68.047 87.07 92.40 93.57 P 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.022572 0.001409 0.000877 0.00000 SCALE2 0.000000 0.020639 -0.001005 0.00000 SCALE3 0.000000 0.000000 0.014726 0.00000 HETATM 1 N MSE A 1 19.474 50.708 63.405 1.00 59.11 N HETATM 2 CA MSE A 1 18.201 51.467 63.386 1.00 57.36 C HETATM 3 C MSE A 1 17.085 50.564 62.887 1.00 59.40 C HETATM 4 O MSE A 1 17.277 49.796 61.942 1.00 59.74 O HETATM 5 CB MSE A 1 18.333 52.680 62.471 1.00 63.63 C HETATM 6 CG MSE A 1 17.131 53.606 62.468 1.00 71.71 C HETATM 7 SE MSE A 1 17.325 55.053 61.181 1.00 79.13 SE HETATM 8 CE MSE A 1 16.677 54.101 59.627 1.00 85.78 C REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3H9X.PDB, MODEL/S 1 3H9X.PDB REMARK PdbStat -- SEQRES 1 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 11 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 12 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 13 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 14 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 15 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 16 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 17 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 18 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 19 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 20 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 21 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 22 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 23 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 24 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 25 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 26 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 27 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 28 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 29 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 30 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 31 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 32 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 33 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 34 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 35 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 36 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 37 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3H9X.PDB, MODEL/S 1 3H9X.PDB REMARK PdbStat -- SEQRES 1 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 11 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 12 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 13 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 14 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 15 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 16 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 17 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 18 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 19 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 20 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 21 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 22 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 23 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 24 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 25 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 26 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 27 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 28 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 29 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 30 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 31 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 32 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 33 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 34 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 35 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 36 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 37 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3H9X.PDB, MODEL/S 1 3H9X.PDB REMARK PdbStat -- SEQRES 1 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 2 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 3 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 4 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 5 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 6 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 7 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 8 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 9 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 10 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 11 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 12 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 13 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 14 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 15 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 16 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 17 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 18 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 19 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 20 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 21 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 22 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 23 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 24 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 25 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 26 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 27 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 28 A 505 MSE ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS SEQRES 29 A 505 TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO SEQRES 30 A 505 ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP SEQRES 31 A 505 TYR ALA LEU LEU MSE ASP ILE PRO ALA GLU LYS ILE GLY SEQRES 32 A 505 ILE ASN GLY ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS SEQRES 33 A 505 VAL GLN PRO GLU LEU VAL GLY SER LEU ARG LYS LYS PRO SEQRES 34 A 505 GLY ILE TYR PRO ALA TYR HIS MSE ASN LYS GLU HIS TRP SEQRES 35 A 505 ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU SEQRES 36 A 505 ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG SEQRES 37 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 505 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3H9X.pdb HETATM 1 N MSE A 1 18.833 49.556 61.940 1.00 59.11 N HETATM 2 CA MSE A 1 17.559 50.314 61.922 1.00 57.36 C HETATM 3 C MSE A 1 16.443 49.411 61.423 1.00 59.40 C HETATM 4 O MSE A 1 16.635 48.644 60.478 1.00 59.74 O HETATM 5 CB MSE A 1 17.691 51.528 61.007 1.00 63.63 C HETATM 6 CG MSE A 1 16.490 52.453 61.003 1.00 71.71 C HETATM 7 SE MSE A 1 16.684 53.901 59.716 1.00 79.13 HETATM 8 CE MSE A 1 16.035 52.949 58.162 1.00 85.78 C HETATM 9 N MSE A 1 19.818 50.296 62.443 1.00 59.11 N HETATM 10 CA MSE A 1 18.545 51.055 62.424 1.00 57.36 C HETATM 11 C MSE A 1 17.429 50.152 61.924 1.00 59.40 C HETATM 12 O MSE A 1 17.622 49.383 60.979 1.00 59.74 O HETATM 13 CB MSE A 1 18.677 52.267 61.508 1.00 63.63 C HETATM 14 CG MSE A 1 17.476 53.194 61.506 1.00 71.71 C HETATM 15 SE MSE A 1 17.670 54.640 60.218 1.00 79.13 HETATM 16 CE MSE A 1 17.021 53.688 58.665 1.00 85.78 C HETATM 17 N MSE A 1 6.177 -0.319 -0.098 1.00 59.11 N HETATM 18 CA MSE A 1 4.905 0.441 -0.117 1.00 57.36 C HETATM 19 C MSE A 1 3.788 -0.463 -0.616 1.00 59.40 C HETATM 20 O MSE A 1 3.981 -1.230 -1.561 1.00 59.74 O HETATM 21 CB MSE A 1 5.036 1.653 -1.032 1.00 63.63 C HETATM 22 CG MSE A 1 3.834 2.580 -1.035 1.00 71.71 C HETATM 23 SE MSE A 1 4.029 4.026 -2.322 1.00 79.13 HETATM 24 CE MSE A 1 3.380 3.075 -3.876 1.00 85.78 C ATOM 25 N ASN A 2 2.619 -0.367 0.016 1.00 58.21 N ATOM 26 CA ASN A 2 1.481 -1.204 -0.354 1.00 56.89 C ATOM 27 C ASN A 2 0.345 -0.413 -0.962 1.00 53.09 C ATOM 28 O ASN A 2 0.358 0.816 -0.950 1.00 51.05 O ATOM 29 CB ASN A 2 0.967 -1.964 0.872 1.00 55.09 C ATOM 30 CG ASN A 2 0.366 -1.044 1.911 1.00 52.67 C ATOM 31 OD1 ASN A 2 0.059 -1.462 3.021 1.00 45.84 O ATOM 32 ND2 ASN A 2 0.190 0.222 1.549 1.00 47.77 N ATOM 33 N ARG A 3 -0.641 -1.153 -1.464 1.00 46.04 N ATOM 34 CA ARG A 3 -1.832 -0.610 -2.099 1.00 42.30 C ATOM 35 C ARG A 3 -2.445 0.553 -1.321 1.00 46.09 C ATOM 36 O ARG A 3 -2.753 1.595 -1.895 1.00 46.04 O ATOM 37 CB ARG A 3 -2.876 -1.720 -2.262 1.00 40.15 C ATOM 38 CG ARG A 3 -4.051 -1.345 -3.126 1.00 33.90 C ATOM 39 CD ARG A 3 -5.149 -2.375 -3.065 1.00 30.37 C ATOM 40 NE ARG A 3 -5.968 -2.316 -4.266 1.00 41.45 N ATOM 41 CZ ARG A 3 -5.541 -2.677 -5.475 1.00 51.10 C ATOM 42 NH1 ARG A 3 -4.303 -3.128 -5.631 1.00 57.06 N ATOM 43 NH2 ARG A 3 -6.335 -2.572 -6.536 1.00 59.08 N ATOM 44 N GLN A 4 -2.619 0.367 -0.016 1.00 53.41 N ATOM 45 CA GLN A 4 -3.201 1.388 0.859 1.00 50.27 C ATOM 46 C GLN A 4 -2.369 2.671 0.908 1.00 48.27 C ATOM 47 O GLN A 4 -2.865 3.742 0.589 1.00 41.40 O ATOM 48 CB GLN A 4 -3.336 0.836 2.282 1.00 61.35 C ATOM 49 CG GLN A 4 -4.749 0.828 2.851 1.00 72.94 C ATOM 50 CD GLN A 4 -5.391 2.201 2.866 1.00 82.82 C ATOM 51 OE1 GLN A 4 -5.831 2.708 1.829 1.00 83.84 O ATOM 52 NE2 GLN A 4 -5.449 2.815 4.048 1.00 82.50 N ATOM 53 N GLN A 5 -1.107 2.550 1.316 1.00 47.86 N ATOM 54 CA GLN A 5 -0.214 3.702 1.434 1.00 46.39 C ATOM 55 C GLN A 5 -0.106 4.490 0.144 1.00 49.67 C ATOM 56 O GLN A 5 0.121 5.704 0.161 1.00 50.45 O ATOM 57 CB GLN A 5 1.174 3.249 1.858 1.00 42.65 C ATOM 58 CG GLN A 5 1.173 2.420 3.115 1.00 43.63 C ATOM 59 CD GLN A 5 2.523 1.814 3.379 1.00 47.67 C ATOM 60 OE1 GLN A 5 3.177 1.311 2.466 1.00 43.81 O ATOM 61 NE2 GLN A 5 2.947 1.838 4.634 1.00 59.86 N ATOM 62 N PHE A 6 -0.255 3.788 -0.975 1.00 49.55 N ATOM 63 CA PHE A 6 -0.188 4.407 -2.284 1.00 34.01 C ATOM 64 C PHE A 6 -1.393 5.290 -2.556 1.00 36.44 C ATOM 65 O PHE A 6 -1.220 6.474 -2.795 1.00 44.72 O ATOM 66 CB PHE A 6 -0.077 3.342 -3.371 1.00 33.39 C ATOM 67 CG PHE A 6 -0.240 3.885 -4.757 1.00 39.04 C ATOM 68 CD1 PHE A 6 -1.500 3.966 -5.349 1.00 36.03 C ATOM 69 CD2 PHE A 6 0.855 4.395 -5.448 1.00 35.38 C ATOM 70 CE1 PHE A 6 -1.658 4.557 -6.597 1.00 36.11 C ATOM 71 CE2 PHE A 6 0.702 4.985 -6.690 1.00 30.88 C ATOM 72 CZ PHE A 6 -0.554 5.067 -7.266 1.00 36.18 C ATOM 73 N ILE A 7 -2.609 4.740 -2.512 1.00 39.58 N ATOM 74 CA ILE A 7 -3.796 5.560 -2.794 1.00 47.52 C ATOM 75 C ILE A 7 -3.875 6.763 -1.853 1.00 50.70 C ATOM 76 O ILE A 7 -4.438 7.806 -2.201 1.00 57.17 O ATOM 77 CB ILE A 7 -5.143 4.750 -2.728 1.00 42.09 C ATOM 78 CG1 ILE A 7 -5.773 4.862 -1.349 1.00 50.80 C ATOM 79 CG2 ILE A 7 -4.924 3.312 -3.124 1.00 38.64 C ATOM 80 CD1 ILE A 7 -6.812 5.970 -1.240 1.00 52.65 C ATOM 81 N ASP A 8 -3.307 6.619 -0.662 1.00 52.25 N ATOM 82 CA ASP A 8 -3.312 7.707 0.302 1.00 54.06 C ATOM 83 C ASP A 8 -2.322 8.776 -0.138 1.00 54.67 C ATOM 84 O ASP A 8 -2.649 9.964 -0.152 1.00 59.50 O ATOM 85 CB ASP A 8 -2.938 7.196 1.693 1.00 61.10 C ATOM 86 CG ASP A 8 -4.052 6.396 2.345 1.00 77.40 C ATOM 87 OD1 ASP A 8 -3.787 5.744 3.382 1.00 84.15 O ATOM 88 OD2 ASP A 8 -5.198 6.419 1.832 1.00 80.62 O ATOM 89 N TYR A 9 -1.113 8.373 -0.510 1.00 45.45 N ATOM 90 CA TYR A 9 -0.135 9.359 -0.939 1.00 45.08 C ATOM 91 C TYR A 9 -0.668 10.207 -2.097 1.00 45.96 C ATOM 92 O TYR A 9 -0.463 11.412 -2.128 1.00 41.57 O ATOM 93 CB TYR A 9 1.174 8.665 -1.316 1.00 39.86 C ATOM 94 CG TYR A 9 2.204 9.582 -1.942 1.00 48.66 C ATOM 95 CD1 TYR A 9 2.250 9.769 -3.319 1.00 48.52 C ATOM 96 CD2 TYR A 9 3.161 10.227 -1.164 1.00 50.78 C ATOM 97 CE1 TYR A 9 3.226 10.566 -3.903 1.00 51.43 C ATOM 98 CE2 TYR A 9 4.141 11.033 -1.745 1.00 50.98 C ATOM 99 CZ TYR A 9 4.167 11.193 -3.109 1.00 49.22 C ATOM 100 OH TYR A 9 5.134 11.976 -3.686 1.00 67.17 O ATOM 101 N ALA A 10 -1.369 9.573 -3.031 1.00 47.98 N ATOM 102 CA ALA A 10 -1.924 10.274 -4.186 1.00 55.08 C ATOM 103 C ALA A 10 -2.971 11.297 -3.777 1.00 57.24 C ATOM 104 O ALA A 10 -3.013 12.401 -4.321 1.00 57.31 O ATOM 105 CB ALA A 10 -2.537 9.283 -5.160 1.00 55.95 C ATOM 106 N GLN A 11 -3.820 10.917 -2.826 1.00 60.68 N ATOM 107 CA GLN A 11 -4.885 11.781 -2.322 1.00 63.27 C ATOM 108 C GLN A 11 -4.320 13.040 -1.650 1.00 69.20 C ATOM 109 O GLN A 11 -4.872 14.134 -1.793 1.00 71.66 O ATOM 110 CB GLN A 11 -5.753 11.000 -1.331 1.00 63.45 C ATOM 111 CG GLN A 11 -6.778 11.835 -0.560 1.00 69.40 C ATOM 112 CD GLN A 11 -7.772 12.550 -1.463 1.00 66.20 C ATOM 113 OE1 GLN A 11 -8.462 11.920 -2.262 1.00 63.50 O ATOM 114 NE2 GLN A 11 -7.852 13.873 -1.331 1.00 64.07 N ATOM 115 N LYS A 12 -3.213 12.887 -0.931 1.00 66.89 N ATOM 116 CA LYS A 12 -2.609 14.023 -0.250 1.00 63.83 C ATOM 117 C LYS A 12 -1.691 14.852 -1.145 1.00 62.63 C ATOM 118 O LYS A 12 -1.860 16.060 -1.249 1.00 61.79 O ATOM 119 CB LYS A 12 -1.836 13.540 0.980 1.00 66.84 C ATOM 120 CG LYS A 12 -2.627 12.630 1.904 1.00 68.18 C ATOM 121 CD LYS A 12 -3.851 13.319 2.505 1.00 72.75 C ATOM 122 CE LYS A 12 -3.464 14.377 3.535 1.00 76.33 C ATOM 123 NZ LYS A 12 -4.652 14.991 4.199 1.00 58.69 N ATOM 124 N LYS A 13 -0.723 14.205 -1.786 1.00 63.45 N ATOM 125 CA LYS A 13 0.224 14.913 -2.641 1.00 63.62 C ATOM 126 C LYS A 13 -0.341 15.428 -3.941 1.00 63.11 C ATOM 127 O LYS A 13 0.305 16.226 -4.613 1.00 69.26 O ATOM 128 CB LYS A 13 1.432 14.033 -2.966 1.00 63.23 C ATOM 129 CG LYS A 13 2.591 14.141 -1.974 1.00 75.30 C ATOM 130 CD LYS A 13 3.432 15.403 -2.161 1.00 74.15 C ATOM 131 CE LYS A 13 4.239 15.351 -3.447 1.00 63.93 C ATOM 132 NZ LYS A 13 3.333 15.234 -4.613 1.00 60.64 N ATOM 133 N TYR A 14 -1.531 14.982 -4.316 1.00 58.46 N ATOM 134 CA TYR A 14 -2.103 15.434 -5.576 1.00 49.63 C ATOM 135 C TYR A 14 -3.582 15.720 -5.459 1.00 53.94 C ATOM 136 O TYR A 14 -4.184 16.256 -6.383 1.00 49.27 O ATOM 137 CB TYR A 14 -1.868 14.389 -6.679 1.00 46.25 C ATOM 138 CG TYR A 14 -0.404 14.094 -6.949 1.00 39.54 C ATOM 139 CD1 TYR A 14 0.407 15.017 -7.594 1.00 43.61 C ATOM 140 CD2 TYR A 14 0.179 12.919 -6.499 1.00 40.04 C ATOM 141 CE1 TYR A 14 1.773 14.778 -7.779 1.00 46.55 C ATOM 142 CE2 TYR A 14 1.533 12.665 -6.676 1.00 38.88 C ATOM 143 CZ TYR A 14 2.330 13.595 -7.312 1.00 47.19 C ATOM 144 OH TYR A 14 3.685 13.347 -7.449 1.00 54.87 O ATOM 145 N ASP A 15 -4.174 15.364 -4.326 1.00 61.22 N ATOM 146 CA ASP A 15 -5.595 15.604 -4.122 1.00 67.90 C ATOM 147 C ASP A 15 -6.424 14.956 -5.238 1.00 68.02 C ATOM 148 O ASP A 15 -7.381 15.538 -5.740 1.00 60.66 O ATOM 149 CB ASP A 15 -5.844 17.111 -4.085 1.00 77.66 C ATOM 150 CG ASP A 15 -7.111 17.473 -3.352 1.00 86.88 C ATOM 151 OD1 ASP A 15 -8.207 17.295 -3.926 1.00 85.45 O ATOM 152 OD2 ASP A 15 -7.004 17.925 -2.191 1.00 94.27 O ATOM 153 N THR A 16 -6.047 13.738 -5.608 1.00 74.69 N ATOM 154 CA THR A 16 -6.721 12.978 -6.658 1.00 72.21 C ATOM 155 C THR A 16 -7.523 11.828 -6.061 1.00 71.21 C ATOM 156 O THR A 16 -7.027 11.113 -5.188 1.00 75.78 O ATOM 157 CB THR A 16 -5.705 12.359 -7.650 1.00 73.66 C ATOM 158 OG1 THR A 16 -4.887 13.391 -8.222 1.00 77.52 O ATOM 159 CG2 THR A 16 -6.427 11.615 -8.757 1.00 73.50 C ATOM 160 N LYS A 17 -8.755 11.651 -6.532 1.00 70.06 N ATOM 161 CA LYS A 17 -9.606 10.561 -6.055 1.00 66.39 C ATOM 162 C LYS A 17 -9.481 9.391 -7.032 1.00 59.71 C ATOM 163 O LYS A 17 -9.599 9.570 -8.243 1.00 50.43 O ATOM 164 CB LYS A 17 -11.066 11.033 -5.920 1.00 71.44 C ATOM 165 CG LYS A 17 -12.133 10.205 -6.664 1.00 84.03 C ATOM 166 CD LYS A 17 -12.275 10.616 -8.146 1.00 83.70 C ATOM 167 CE LYS A 17 -13.169 9.656 -8.948 1.00 72.23 C ATOM 168 NZ LYS A 17 -14.519 9.417 -8.347 1.00 64.75 N ATOM 169 N PRO A 18 -9.216 8.177 -6.517 1.00 59.08 N ATOM 170 CA PRO A 18 -9.073 6.997 -7.372 1.00 54.83 C ATOM 171 C PRO A 18 -10.335 6.663 -8.153 1.00 56.35 C ATOM 172 O PRO A 18 -11.443 6.705 -7.615 1.00 55.76 O ATOM 173 CB PRO A 18 -8.692 5.899 -6.383 1.00 50.06 C ATOM 174 CG PRO A 18 -9.376 6.329 -5.120 1.00 50.09 C ATOM 175 CD PRO A 18 -9.066 7.806 -5.099 1.00 63.13 C ATOM 176 N ASP A 19 -10.151 6.339 -9.431 1.00 58.22 N ATOM 177 CA ASP A 19 -11.254 5.986 -10.313 1.00 57.23 C ATOM 178 C ASP A 19 -11.238 4.500 -10.635 1.00 58.60 C ATOM 179 O ASP A 19 -10.183 3.870 -10.624 1.00 62.31 O ATOM 180 CB ASP A 19 -11.166 6.780 -11.601 1.00 59.48 C ATOM 181 CG ASP A 19 -12.339 7.672 -11.781 1.00 76.59 C ATOM 182 OD1 ASP A 19 -13.472 7.141 -11.817 1.00 86.96 O ATOM 183 OD2 ASP A 19 -12.141 8.901 -11.872 1.00 83.53 O ATOM 184 N HIS A 20 -12.404 3.937 -10.926 1.00 50.99 N ATOM 185 CA HIS A 20 -12.490 2.516 -11.229 1.00 45.69 C ATOM 186 C HIS A 20 -13.297 2.345 -12.492 1.00 46.61 C ATOM 187 O HIS A 20 -14.505 2.115 -12.442 1.00 48.04 O ATOM 188 CB HIS A 20 -13.157 1.778 -10.073 1.00 33.42 C ATOM 189 CG HIS A 20 -12.537 2.076 -8.747 1.00 28.78 C ATOM 190 ND1 HIS A 20 -11.322 1.555 -8.361 1.00 34.50 N ATOM 191 CD2 HIS A 20 -12.913 2.921 -7.760 1.00 27.28 C ATOM 192 CE1 HIS A 20 -10.973 2.069 -7.197 1.00 29.61 C ATOM 193 NE2 HIS A 20 -11.922 2.902 -6.811 1.00 31.27 N ATOM 194 N PRO A 21 -12.635 2.458 -13.649 1.00 44.54 N ATOM 195 CA PRO A 21 -13.264 2.327 -14.961 1.00 40.97 C ATOM 196 C PRO A 21 -13.845 0.965 -15.265 1.00 36.92 C ATOM 197 O PRO A 21 -14.893 0.870 -15.892 1.00 39.20 O ATOM 198 CB PRO A 21 -12.132 2.669 -15.920 1.00 46.55 C ATOM 199 CG PRO A 21 -11.270 3.578 -15.125 1.00 49.37 C ATOM 200 CD PRO A 21 -11.236 2.883 -13.792 1.00 40.25 C ATOM 201 N TRP A 22 -13.145 -0.082 -14.838 1.00 40.62 N ATOM 202 CA TRP A 22 -13.555 -1.465 -15.087 1.00 45.10 C ATOM 203 C TRP A 22 -14.503 -2.030 -14.052 1.00 47.51 C ATOM 204 O TRP A 22 -14.173 -2.132 -12.878 1.00 54.32 O ATOM 205 CB TRP A 22 -12.328 -2.372 -15.157 1.00 42.88 C ATOM 206 CG TRP A 22 -11.381 -1.989 -16.229 1.00 41.09 C ATOM 207 CD1 TRP A 22 -11.437 -2.344 -17.547 1.00 41.49 C ATOM 208 CD2 TRP A 22 -10.250 -1.128 -16.091 1.00 43.41 C ATOM 209 NE1 TRP A 22 -10.402 -1.758 -18.240 1.00 33.07 N ATOM 210 CE2 TRP A 22 -9.654 -1.009 -17.365 1.00 39.21 C ATOM 211 CE3 TRP A 22 -9.670 -0.450 -15.008 1.00 43.24 C ATOM 212 CZ2 TRP A 22 -8.523 -0.233 -17.590 1.00 31.59 C ATOM 213 CZ3 TRP A 22 -8.543 0.324 -15.237 1.00 31.94 C ATOM 214 CH2 TRP A 22 -7.982 0.419 -16.515 1.00 38.08 C ATOM 215 N GLU A 23 -15.680 -2.422 -14.508 1.00 53.68 N ATOM 216 CA GLU A 23 -16.691 -2.988 -13.638 1.00 53.83 C ATOM 217 C GLU A 23 -16.258 -4.380 -13.220 1.00 53.37 C ATOM 218 O GLU A 23 -16.434 -4.785 -12.076 1.00 56.40 O ATOM 219 CB GLU A 23 -18.028 -3.050 -14.382 1.00 59.25 C ATOM 220 CG GLU A 23 -18.000 -3.859 -15.704 1.00 78.94 C ATOM 221 CD GLU A 23 -17.249 -3.178 -16.865 1.00 91.03 C ATOM 222 OE1 GLU A 23 -17.785 -2.211 -17.458 1.00 92.37 O ATOM 223 OE2 GLU A 23 -16.118 -3.615 -17.184 1.00 91.78 O ATOM 224 N LYS A 24 -15.685 -5.104 -14.174 1.00 54.95 N ATOM 225 CA LYS A 24 -15.220 -6.471 -13.963 1.00 55.04 C ATOM 226 C LYS A 24 -14.087 -6.560 -12.947 1.00 49.11 C ATOM 227 O LYS A 24 -13.938 -7.573 -12.264 1.00 42.43 O ATOM 228 CB LYS A 24 -14.768 -7.069 -15.306 1.00 62.46 C ATOM 229 CG LYS A 24 -15.909 -7.408 -16.274 1.00 71.53 C ATOM 230 CD LYS A 24 -15.443 -7.436 -17.740 1.00 80.36 C ATOM 231 CE LYS A 24 -14.265 -8.396 -18.005 1.00 80.77 C ATOM 232 NZ LYS A 24 -14.619 -9.856 -17.983 1.00 81.65 N ATOM 233 N PHE A 25 -13.293 -5.497 -12.847 1.00 41.38 N ATOM 234 CA PHE A 25 -12.174 -5.466 -11.913 1.00 47.77 C ATOM 235 C PHE A 25 -12.276 -4.314 -10.920 1.00 47.29 C ATOM 236 O PHE A 25 -11.753 -3.231 -11.167 1.00 49.62 O ATOM 237 CB PHE A 25 -10.857 -5.361 -12.677 1.00 51.99 C ATOM 238 CG PHE A 25 -10.652 -6.459 -13.670 1.00 57.51 C ATOM 239 CD1 PHE A 25 -11.246 -6.398 -14.924 1.00 62.46 C ATOM 240 CD2 PHE A 25 -9.893 -7.572 -13.343 1.00 57.43 C ATOM 241 CE1 PHE A 25 -11.083 -7.434 -15.836 1.00 68.36 C ATOM 242 CE2 PHE A 25 -9.725 -8.609 -14.247 1.00 61.00 C ATOM 243 CZ PHE A 25 -10.321 -8.542 -15.493 1.00 62.55 C ATOM 244 N PRO A 26 -12.940 -4.543 -9.772 1.00 40.64 N ATOM 245 CA PRO A 26 -13.119 -3.530 -8.732 1.00 41.07 C ATOM 246 C PRO A 26 -11.806 -2.982 -8.189 1.00 46.35 C ATOM 247 O PRO A 26 -11.753 -1.855 -7.713 1.00 42.18 O ATOM 248 CB PRO A 26 -13.899 -4.281 -7.657 1.00 35.63 C ATOM 249 CG PRO A 26 -14.650 -5.296 -8.438 1.00 36.70 C ATOM 250 CD PRO A 26 -13.600 -5.799 -9.378 1.00 35.19 C ATOM 251 N ASP A 27 -10.753 -3.786 -8.261 1.00 49.15 N ATOM 252 CA ASP A 27 -9.445 -3.391 -7.755 1.00 54.02 C ATOM 253 C ASP A 27 -8.673 -2.444 -8.618 1.00 51.76 C ATOM 254 O ASP A 27 -8.033 -1.516 -8.115 1.00 56.81 O ATOM 255 CB ASP A 27 -8.575 -4.602 -7.529 1.00 56.64 C ATOM 256 CG ASP A 27 -8.971 -5.337 -6.312 1.00 65.46 C ATOM 257 OD1 ASP A 27 -8.335 -6.367 -6.021 1.00 77.61 O ATOM 258 OD2 ASP A 27 -9.924 -4.869 -5.636 1.00 67.95 O ATOM 259 N TYR A 28 -8.687 -2.697 -9.919 1.00 45.48 N ATOM 260 CA TYR A 28 -7.976 -1.834 -10.837 1.00 37.06 C ATOM 261 C TYR A 28 -8.457 -0.406 -10.605 1.00 33.51 C ATOM 262 O TYR A 28 -9.652 -0.145 -10.624 1.00 38.14 O ATOM 263 CB TYR A 28 -8.240 -2.271 -12.278 1.00 35.15 C ATOM 264 CG TYR A 28 -7.720 -3.652 -12.611 1.00 32.69 C ATOM 265 CD1 TYR A 28 -7.543 -4.048 -13.933 1.00 34.56 C ATOM 266 CD2 TYR A 28 -7.378 -4.551 -11.608 1.00 35.18 C ATOM 267 CE1 TYR A 28 -7.029 -5.310 -14.243 1.00 45.20 C ATOM 268 CE2 TYR A 28 -6.866 -5.810 -11.907 1.00 44.61 C ATOM 269 CZ TYR A 28 -6.690 -6.184 -13.220 1.00 47.44 C ATOM 270 OH TYR A 28 -6.157 -7.423 -13.496 1.00 47.62 O ATOM 271 N ALA A 29 -7.524 0.510 -10.365 1.00 33.89 N ATOM 272 CA ALA A 29 -7.860 1.906 -10.125 1.00 28.21 C ATOM 273 C ALA A 29 -6.909 2.806 -10.889 1.00 32.15 C ATOM 274 O ALA A 29 -5.705 2.581 -10.878 1.00 39.90 O ATOM 275 CB ALA A 29 -7.769 2.212 -8.646 1.00 36.18 C ATOM 276 N VAL A 30 -7.443 3.820 -11.566 1.00 33.62 N ATOM 277 CA VAL A 30 -6.593 4.748 -12.312 1.00 39.92 C ATOM 278 C VAL A 30 -6.547 6.110 -11.625 1.00 38.07 C ATOM 279 O VAL A 30 -7.455 6.474 -10.885 1.00 34.91 O ATOM 280 CB VAL A 30 -7.050 4.921 -13.815 1.00 43.25 C ATOM 281 CG1 VAL A 30 -7.181 3.571 -14.486 1.00 40.38 C ATOM 282 CG2 VAL A 30 -8.337 5.690 -13.906 1.00 41.64 C ATOM 283 N PHE A 31 -5.464 6.841 -11.851 1.00 43.00 N ATOM 284 CA PHE A 31 -5.306 8.163 -11.268 1.00 47.54 C ATOM 285 C PHE A 31 -5.032 9.130 -12.403 1.00 49.05 C ATOM 286 O PHE A 31 -4.040 8.986 -13.118 1.00 51.86 O ATOM 287 CB PHE A 31 -4.145 8.186 -10.272 1.00 48.82 C ATOM 288 CG PHE A 31 -4.375 7.321 -9.070 1.00 54.73 C ATOM 289 CD1 PHE A 31 -4.422 5.938 -9.195 1.00 51.26 C ATOM 290 CD2 PHE A 31 -4.579 7.889 -7.817 1.00 59.35 C ATOM 291 CE1 PHE A 31 -4.674 5.130 -8.095 1.00 53.53 C ATOM 292 CE2 PHE A 31 -4.832 7.092 -6.704 1.00 57.24 C ATOM 293 CZ PHE A 31 -4.878 5.708 -6.845 1.00 58.78 C ATOM 294 N ARG A 32 -5.914 10.106 -12.583 1.00 50.57 N ATOM 295 CA ARG A 32 -5.726 11.075 -13.653 1.00 51.78 C ATOM 296 C ARG A 32 -5.910 12.507 -13.184 1.00 47.87 C ATOM 297 O ARG A 32 -6.256 12.759 -12.031 1.00 40.83 O ATOM 298 CB ARG A 32 -6.690 10.792 -14.798 1.00 52.04 C ATOM 299 CG ARG A 32 -8.146 11.002 -14.455 1.00 56.95 C ATOM 300 CD ARG A 32 -8.870 9.682 -14.302 1.00 61.96 C ATOM 301 NE ARG A 32 -10.300 9.898 -14.124 1.00 64.44 N ATOM 302 CZ ARG A 32 -11.102 10.401 -15.059 1.00 60.26 C ATOM 303 NH1 ARG A 32 -12.394 10.568 -14.810 1.00 55.73 N ATOM 304 NH2 ARG A 32 -10.617 10.724 -16.246 1.00 49.02 N ATOM 305 N HIS A 33 -5.646 13.441 -14.094 1.00 53.39 N ATOM 306 CA HIS A 33 -5.789 14.866 -13.812 1.00 54.88 C ATOM 307 C HIS A 33 -7.226 15.281 -14.080 1.00 59.48 C ATOM 308 O HIS A 33 -7.903 14.688 -14.921 1.00 59.09 O ATOM 309 CB HIS A 33 -4.883 15.713 -14.708 1.00 45.83 C ATOM 310 CG HIS A 33 -3.421 15.444 -14.535 1.00 46.23 C ATOM 311 ND1 HIS A 33 -2.774 14.419 -15.194 1.00 48.45 N ATOM 312 CD2 HIS A 33 -2.478 16.080 -13.803 1.00 48.28 C ATOM 313 CE1 HIS A 33 -1.492 14.441 -14.876 1.00 49.46 C ATOM 314 NE2 HIS A 33 -1.283 15.438 -14.035 1.00 38.73 N ATOM 315 N SER A 34 -7.685 16.312 -13.382 1.00 62.69 N ATOM 316 CA SER A 34 -9.043 16.791 -13.562 1.00 64.29 C ATOM 317 C SER A 34 -9.114 17.602 -14.852 1.00 67.00 C ATOM 318 O SER A 34 -10.187 17.777 -15.438 1.00 67.53 O ATOM 319 CB SER A 34 -9.448 17.639 -12.360 1.00 65.18 C ATOM 320 OG SER A 34 -10.840 17.899 -12.381 1.00 70.70 O ATOM 321 N ASP A 35 -7.946 18.072 -15.289 1.00 68.90 N ATOM 322 CA ASP A 35 -7.777 18.869 -16.507 1.00 69.04 C ATOM 323 C ASP A 35 -8.065 18.056 -17.766 1.00 67.84 C ATOM 324 O ASP A 35 -9.188 18.041 -18.266 1.00 67.36 O ATOM 325 CB ASP A 35 -6.339 19.389 -16.587 1.00 69.88 C ATOM 326 CG ASP A 35 -5.879 20.022 -15.296 1.00 78.03 C ATOM 327 OD1 ASP A 35 -6.478 21.043 -14.900 1.00 83.07 O ATOM 328 OD2 ASP A 35 -4.925 19.501 -14.671 1.00 82.63 O ATOM 329 N ASN A 36 -7.030 17.385 -18.264 1.00 63.62 N ATOM 330 CA ASN A 36 -7.122 16.573 -19.472 1.00 61.70 C ATOM 331 C ASN A 36 -7.564 15.126 -19.269 1.00 58.64 C ATOM 332 O ASN A 36 -7.633 14.354 -20.226 1.00 59.63 O ATOM 333 CB ASN A 36 -5.779 16.567 -20.191 1.00 63.82 C ATOM 334 CG ASN A 36 -4.638 16.208 -19.277 1.00 66.54 C ATOM 335 OD1 ASN A 36 -4.714 15.232 -18.535 1.00 73.58 O ATOM 336 ND2 ASN A 36 -3.569 16.993 -19.326 1.00 64.31 N ATOM 337 N ASP A 37 -7.859 14.750 -18.034 1.00 61.26 N ATOM 338 CA ASP A 37 -8.292 13.389 -17.757 1.00 61.82 C ATOM 339 C ASP A 37 -7.225 12.363 -18.174 1.00 58.10 C ATOM 340 O ASP A 37 -7.543 11.214 -18.493 1.00 55.40 O ATOM 341 CB ASP A 37 -9.607 13.099 -18.493 1.00 64.23 C ATOM 342 CG ASP A 37 -10.742 14.033 -18.073 1.00 78.99 C ATOM 343 OD1 ASP A 37 -11.834 13.950 -18.684 1.00 81.76 O ATOM 344 OD2 ASP A 37 -10.554 14.847 -17.136 1.00 81.61 O ATOM 345 N LYS A 38 -5.959 12.774 -18.170 1.00 46.81 N ATOM 346 CA LYS A 38 -4.885 11.863 -18.541 1.00 45.81 C ATOM 347 C LYS A 38 -4.411 11.028 -17.352 1.00 45.73 C ATOM 348 O LYS A 38 -4.126 11.556 -16.272 1.00 46.30 O ATOM 349 CB LYS A 38 -3.698 12.625 -19.144 1.00 44.47 C ATOM 350 CG LYS A 38 -3.984 13.243 -20.499 1.00 41.00 C ATOM 351 CD LYS A 38 -2.715 13.705 -21.186 1.00 49.63 C ATOM 352 CE LYS A 38 -3.033 14.271 -22.565 1.00 58.14 C ATOM 353 NZ LYS A 38 -1.827 14.429 -23.439 1.00 60.12 N ATOM 354 N TRP A 39 -4.340 9.715 -17.568 1.00 40.55 N ATOM 355 CA TRP A 39 -3.911 8.766 -16.548 1.00 36.30 C ATOM 356 C TRP A 39 -2.435 8.946 -16.291 1.00 36.45 C ATOM 357 O TRP A 39 -1.664 9.082 -17.235 1.00 41.41 O ATOM 358 CB TRP A 39 -4.126 7.332 -17.031 1.00 34.64 C ATOM 359 CG TRP A 39 -5.544 6.955 -17.292 1.00 44.77 C ATOM 360 CD1 TRP A 39 -6.641 7.783 -17.281 1.00 47.81 C ATOM 361 CD2 TRP A 39 -6.031 5.648 -17.590 1.00 42.70 C ATOM 362 NE1 TRP A 39 -7.773 7.064 -17.547 1.00 40.81 N ATOM 363 CE2 TRP A 39 -7.431 5.749 -17.743 1.00 39.33 C ATOM 364 CE3 TRP A 39 -5.423 4.391 -17.740 1.00 41.81 C ATOM 365 CZ2 TRP A 39 -8.231 4.643 -18.042 1.00 40.44 C ATOM 366 CZ3 TRP A 39 -6.220 3.294 -18.035 1.00 33.25 C ATOM 367 CH2 TRP A 39 -7.608 3.429 -18.184 1.00 29.83 C ATOM 368 N TYR A 40 -2.036 8.941 -15.022 1.00 30.34 N ATOM 369 CA TYR A 40 -0.626 9.076 -14.685 1.00 29.19 C ATOM 370 C TYR A 40 -0.217 7.969 -13.719 1.00 24.17 C ATOM 371 O TYR A 40 0.929 7.880 -13.313 1.00 26.00 O ATOM 372 CB TYR A 40 -0.356 10.478 -14.100 1.00 34.72 C ATOM 373 CG TYR A 40 -0.918 10.740 -12.712 1.00 39.17 C ATOM 374 CD1 TYR A 40 -0.244 10.299 -11.573 1.00 44.29 C ATOM 375 CD2 TYR A 40 -2.120 11.429 -12.539 1.00 31.64 C ATOM 376 CE1 TYR A 40 -0.751 10.531 -10.286 1.00 50.99 C ATOM 377 CE2 TYR A 40 -2.638 11.667 -11.253 1.00 46.76 C ATOM 378 CZ TYR A 40 -1.944 11.210 -10.129 1.00 43.64 C ATOM 379 OH TYR A 40 -2.441 11.405 -8.855 1.00 46.45 O ATOM 380 N ALA A 41 -1.179 7.111 -13.393 1.00 28.57 N ATOM 381 CA ALA A 41 -0.986 6.003 -12.469 1.00 31.83 C ATOM 382 C ALA A 41 -2.096 4.950 -12.629 1.00 33.98 C ATOM 383 O ALA A 41 -3.286 5.283 -12.633 1.00 20.54 O ATOM 384 CB ALA A 41 -0.975 6.530 -11.041 1.00 22.08 C ATOM 385 N LEU A 42 -1.695 3.683 -12.760 1.00 38.04 N ATOM 386 CA LEU A 42 -2.626 2.562 -12.916 1.00 38.58 C ATOM 387 C LEU A 42 -2.349 1.515 -11.831 1.00 43.44 C ATOM 388 O LEU A 42 -1.339 0.803 -11.875 1.00 50.11 O ATOM 389 CB LEU A 42 -2.441 1.901 -14.282 1.00 38.09 C ATOM 390 CG LEU A 42 -3.636 1.311 -15.045 1.00 37.03 C ATOM 391 CD1 LEU A 42 -3.088 0.311 -16.051 1.00 40.07 C ATOM 392 CD2 LEU A 42 -4.631 0.629 -14.129 1.00 22.32 C ATOM 393 N LEU A 43 -3.256 1.423 -10.869 1.00 38.67 N ATOM 394 CA LEU A 43 -3.132 0.479 -9.775 1.00 33.35 C ATOM 395 C LEU A 43 -3.879 -0.783 -10.160 1.00 33.94 C ATOM 396 O LEU A 43 -5.029 -0.708 -10.576 1.00 34.18 O ATOM 397 CB LEU A 43 -3.750 1.080 -8.516 1.00 35.45 C ATOM 398 CG LEU A 43 -3.810 0.202 -7.279 1.00 25.90 C ATOM 399 CD1 LEU A 43 -2.419 -0.054 -6.802 1.00 16.98 C ATOM 400 CD2 LEU A 43 -4.639 0.874 -6.214 1.00 21.63 C HETATM 401 N MSE A 44 -3.227 -1.936 -10.029 1.00 40.06 N HETATM 402 CA MSE A 44 -3.853 -3.213 -10.358 1.00 38.58 C HETATM 403 C MSE A 44 -3.399 -4.343 -9.468 1.00 39.64 C HETATM 404 O MSE A 44 -2.286 -4.346 -8.964 1.00 41.39 O HETATM 405 CB MSE A 44 -3.529 -3.629 -11.782 1.00 40.25 C HETATM 406 CG MSE A 44 -4.029 -2.715 -12.865 1.00 53.35 C HETATM 407 SE MSE A 44 -3.401 -3.337 -14.615 1.00 70.45 HETATM 408 CE MSE A 44 -1.656 -2.511 -14.615 1.00 63.52 C ATOM 409 N ASP A 45 -4.280 -5.318 -9.312 1.00 41.38 N ATOM 410 CA ASP A 45 -4.010 -6.521 -8.546 1.00 39.09 C ATOM 411 C ASP A 45 -3.965 -7.618 -9.605 1.00 40.04 C ATOM 412 O ASP A 45 -5.003 -7.966 -10.163 1.00 41.33 O ATOM 413 CB ASP A 45 -5.156 -6.789 -7.583 1.00 42.60 C ATOM 414 CG ASP A 45 -5.034 -8.127 -6.898 1.00 50.69 C ATOM 415 OD1 ASP A 45 -4.046 -8.311 -6.147 1.00 44.61 O ATOM 416 OD2 ASP A 45 -5.923 -8.986 -7.105 1.00 48.96 O ATOM 417 N ILE A 46 -2.783 -8.160 -9.885 1.00 38.70 N ATOM 418 CA ILE A 46 -2.661 -9.180 -10.931 1.00 38.96 C ATOM 419 C ILE A 46 -1.923 -10.451 -10.532 1.00 39.40 C ATOM 420 O ILE A 46 -1.239 -10.496 -9.507 1.00 38.13 O ATOM 421 CB ILE A 46 -1.931 -8.618 -12.181 1.00 37.49 C ATOM 422 CG1 ILE A 46 -0.508 -8.196 -11.799 1.00 39.17 C ATOM 423 CG2 ILE A 46 -2.704 -7.446 -12.750 1.00 34.03 C ATOM 424 CD1 ILE A 46 0.396 -7.891 -12.972 1.00 43.78 C ATOM 425 N PRO A 47 -2.066 -11.517 -11.345 1.00 40.00 N ATOM 426 CA PRO A 47 -1.395 -12.788 -11.073 1.00 38.22 C ATOM 427 C PRO A 47 0.118 -12.585 -11.267 1.00 42.94 C ATOM 428 O PRO A 47 0.551 -12.097 -12.305 1.00 50.12 O ATOM 429 CB PRO A 47 -1.990 -13.720 -12.128 1.00 36.13 C ATOM 430 CG PRO A 47 -3.355 -13.160 -12.344 1.00 28.85 C ATOM 431 CD PRO A 47 -3.075 -11.689 -12.413 1.00 41.74 C ATOM 432 N ALA A 48 0.914 -12.950 -10.268 1.00 43.69 N ATOM 433 CA ALA A 48 2.353 -12.781 -10.351 1.00 43.85 C ATOM 434 C ALA A 48 2.914 -13.184 -11.720 1.00 51.55 C ATOM 435 O ALA A 48 3.766 -12.477 -12.285 1.00 60.08 O ATOM 436 CB ALA A 48 3.030 -13.580 -9.243 1.00 43.02 C ATOM 437 N GLU A 49 2.415 -14.299 -12.260 1.00 55.59 N ATOM 438 CA GLU A 49 2.862 -14.833 -13.559 1.00 59.66 C ATOM 439 C GLU A 49 2.835 -13.816 -14.719 1.00 59.79 C ATOM 440 O GLU A 49 3.799 -13.729 -15.473 1.00 60.47 O ATOM 441 CB GLU A 49 2.024 -16.069 -13.937 1.00 61.44 C ATOM 442 CG GLU A 49 0.553 -15.760 -14.235 1.00 75.72 C ATOM 443 CD GLU A 49 -0.079 -16.724 -15.257 1.00 82.28 C ATOM 444 OE1 GLU A 49 0.527 -16.937 -16.352 1.00 78.20 O ATOM 445 OE2 GLU A 49 -1.201 -17.247 -14.979 1.00 84.35 O ATOM 446 N LYS A 50 1.739 -13.062 -14.850 1.00 54.35 N ATOM 447 CA LYS A 50 1.586 -12.045 -15.899 1.00 50.89 C ATOM 448 C LYS A 50 2.790 -11.085 -16.080 1.00 51.11 C ATOM 449 O LYS A 50 2.910 -10.437 -17.133 1.00 40.67 O ATOM 450 CB LYS A 50 0.329 -11.198 -15.653 1.00 53.19 C ATOM 451 CG LYS A 50 -1.007 -11.899 -15.924 1.00 57.86 C ATOM 452 CD LYS A 50 -1.317 -11.934 -17.424 1.00 60.55 C ATOM 453 CE LYS A 50 -2.658 -12.628 -17.752 1.00 58.23 C ATOM 454 NZ LYS A 50 -2.605 -14.109 -17.517 1.00 56.20 N ATOM 455 N ILE A 51 3.659 -10.958 -15.067 1.00 50.56 N ATOM 456 CA ILE A 51 4.844 -10.092 -15.206 1.00 53.97 C ATOM 457 C ILE A 51 6.149 -10.826 -14.921 1.00 58.16 C ATOM 458 O ILE A 51 7.133 -10.224 -14.452 1.00 63.46 O ATOM 459 CB ILE A 51 4.823 -8.825 -14.298 1.00 53.28 C ATOM 460 CG1 ILE A 51 4.839 -9.229 -12.816 1.00 52.97 C ATOM 461 CG2 ILE A 51 3.643 -7.944 -14.674 1.00 43.29 C ATOM 462 CD1 ILE A 51 5.129 -8.052 -11.878 1.00 51.50 C ATOM 463 N GLY A 52 6.156 -12.128 -15.194 1.00 54.86 N ATOM 464 CA GLY A 52 7.371 -12.903 -15.017 1.00 55.97 C ATOM 465 C GLY A 52 7.674 -13.482 -13.652 1.00 51.81 C ATOM 466 O GLY A 52 8.349 -14.512 -13.549 1.00 48.53 O ATOM 467 N ILE A 53 7.225 -12.838 -12.588 1.00 54.60 N ATOM 468 CA ILE A 53 7.511 -13.417 -11.298 1.00 57.59 C ATOM 469 C ILE A 53 6.637 -14.677 -11.167 1.00 61.95 C ATOM 470 O ILE A 53 5.443 -14.682 -11.510 1.00 62.10 O ATOM 471 CB ILE A 53 7.274 -12.405 -10.146 1.00 50.58 C ATOM 472 CG1 ILE A 53 7.416 -13.132 -8.798 1.00 56.27 C ATOM 473 CG2 ILE A 53 5.964 -11.667 -10.354 1.00 53.54 C ATOM 474 CD1 ILE A 53 8.838 -13.696 -8.535 1.00 59.05 C ATOM 475 N ASN A 54 7.273 -15.760 -10.715 1.00 68.32 N ATOM 476 CA ASN A 54 6.641 -17.076 -10.544 1.00 72.02 C ATOM 477 C ASN A 54 5.772 -17.212 -9.273 1.00 74.19 C ATOM 478 O ASN A 54 5.292 -16.208 -8.739 1.00 84.46 O ATOM 479 CB ASN A 54 7.732 -18.150 -10.546 1.00 68.55 C ATOM 480 CG ASN A 54 8.930 -17.761 -9.677 1.00 77.13 C ATOM 481 OD1 ASN A 54 8.772 -17.441 -8.472 1.00 78.90 O ATOM 482 ND2 ASN A 54 10.139 -17.785 -10.275 1.00 74.25 N ATOM 483 N GLY A 55 5.568 -18.441 -8.789 1.00 69.63 N ATOM 484 CA GLY A 55 4.729 -18.652 -7.611 1.00 67.77 C ATOM 485 C GLY A 55 3.262 -18.406 -7.950 1.00 69.17 C ATOM 486 O GLY A 55 2.934 -17.377 -8.552 1.00 70.58 O ATOM 487 N ASP A 56 2.371 -19.334 -7.588 1.00 67.12 N ATOM 488 CA ASP A 56 0.932 -19.166 -7.890 1.00 67.30 C ATOM 489 C ASP A 56 0.337 -18.176 -6.872 1.00 60.93 C ATOM 490 O ASP A 56 -0.487 -18.528 -6.016 1.00 56.11 O ATOM 491 CB ASP A 56 0.200 -20.524 -7.820 1.00 74.63 C ATOM 492 CG ASP A 56 -1.235 -20.462 -8.375 1.00 80.66 C ATOM 493 OD1 ASP A 56 -1.877 -21.549 -8.516 1.00 85.72 O ATOM 494 OD2 ASP A 56 -1.730 -19.332 -8.668 1.00 80.29 O ATOM 495 N LYS A 57 0.769 -16.925 -6.997 1.00 55.47 N ATOM 496 CA LYS A 57 0.341 -15.868 -6.109 1.00 47.39 C ATOM 497 C LYS A 57 -0.046 -14.609 -6.878 1.00 41.25 C ATOM 498 O LYS A 57 0.348 -14.450 -8.024 1.00 40.41 O ATOM 499 CB LYS A 57 1.484 -15.530 -5.174 1.00 36.13 C ATOM 500 CG LYS A 57 2.671 -14.993 -5.907 1.00 40.61 C ATOM 501 CD LYS A 57 3.541 -14.180 -4.953 1.00 50.46 C ATOM 502 CE LYS A 57 4.733 -13.575 -5.712 1.00 59.43 C ATOM 503 NZ LYS A 57 5.483 -12.530 -4.924 1.00 59.63 N ATOM 504 N ARG A 58 -0.812 -13.720 -6.245 1.00 39.70 N ATOM 505 CA ARG A 58 -1.191 -12.456 -6.874 1.00 36.53 C ATOM 506 C ARG A 58 -0.186 -11.382 -6.387 1.00 35.50 C ATOM 507 O ARG A 58 0.553 -11.595 -5.408 1.00 24.09 O ATOM 508 CB ARG A 58 -2.599 -12.005 -6.440 1.00 38.37 C ATOM 509 CG ARG A 58 -3.668 -13.078 -6.194 1.00 33.10 C ATOM 510 CD ARG A 58 -4.575 -13.253 -7.380 1.00 22.30 C ATOM 511 NE ARG A 58 -4.918 -11.970 -7.970 1.00 28.31 N ATOM 512 CZ ARG A 58 -5.608 -11.835 -9.101 1.00 39.74 C ATOM 513 NH1 ARG A 58 -6.032 -12.904 -9.768 1.00 37.33 N ATOM 514 NH2 ARG A 58 -5.877 -10.628 -9.580 1.00 40.91 N ATOM 515 N VAL A 59 -0.180 -10.233 -7.068 1.00 36.05 N ATOM 516 CA VAL A 59 0.680 -9.089 -6.709 1.00 34.79 C ATOM 517 C VAL A 59 -0.042 -7.746 -6.983 1.00 37.42 C ATOM 518 O VAL A 59 -0.932 -7.668 -7.835 1.00 36.41 O ATOM 519 CB VAL A 59 2.019 -9.076 -7.513 1.00 29.81 C ATOM 520 CG1 VAL A 59 2.908 -10.232 -7.081 1.00 34.89 C ATOM 521 CG2 VAL A 59 1.744 -9.158 -9.003 1.00 30.23 C ATOM 522 N ASP A 60 0.314 -6.701 -6.245 1.00 35.85 N ATOM 523 CA ASP A 60 -0.280 -5.391 -6.483 1.00 39.83 C ATOM 524 C ASP A 60 0.797 -4.543 -7.124 1.00 39.30 C ATOM 525 O ASP A 60 1.878 -4.386 -6.563 1.00 37.68 O ATOM 526 CB ASP A 60 -0.754 -4.740 -5.182 1.00 52.16 C ATOM 527 CG ASP A 60 -2.217 -5.031 -4.885 1.00 63.38 C ATOM 528 OD1 ASP A 60 -2.757 -6.003 -5.467 1.00 62.43 O ATOM 529 OD2 ASP A 60 -2.813 -4.291 -4.062 1.00 58.07 O ATOM 530 N VAL A 61 0.493 -3.998 -8.299 1.00 32.02 N ATOM 531 CA VAL A 61 1.447 -3.189 -9.055 1.00 27.23 C ATOM 532 C VAL A 61 0.840 -1.855 -9.497 1.00 29.40 C ATOM 533 O VAL A 61 -0.374 -1.709 -9.551 1.00 26.42 O ATOM 534 CB VAL A 61 1.961 -3.992 -10.317 1.00 24.31 C ATOM 535 CG1 VAL A 61 2.391 -5.384 -9.896 1.00 28.15 C ATOM 536 CG2 VAL A 61 0.861 -4.101 -11.389 1.00 11.56 C ATOM 537 N ILE A 62 1.693 -0.875 -9.777 1.00 28.59 N ATOM 538 CA ILE A 62 1.219 0.405 -10.275 1.00 30.82 C ATOM 539 C ILE A 62 1.984 0.692 -11.551 1.00 31.53 C ATOM 540 O ILE A 62 3.184 0.415 -11.652 1.00 25.27 O ATOM 541 CB ILE A 62 1.461 1.584 -9.327 1.00 23.53 C ATOM 542 CG1 ILE A 62 2.915 1.598 -8.891 1.00 30.21 C ATOM 543 CG2 ILE A 62 0.474 1.535 -8.180 1.00 30.91 C ATOM 544 CD1 ILE A 62 3.329 2.854 -8.201 1.00 29.32 C ATOM 545 N ASP A 63 1.276 1.232 -12.535 1.00 35.31 N ATOM 546 CA ASP A 63 1.878 1.584 -13.808 1.00 34.25 C ATOM 547 C ASP A 63 2.056 3.079 -13.823 1.00 29.29 C ATOM 548 O ASP A 63 1.140 3.832 -13.486 1.00 32.85 O ATOM 549 CB ASP A 63 0.994 1.121 -14.949 1.00 37.15 C ATOM 550 CG ASP A 63 1.295 -0.306 -15.351 1.00 44.76 C ATOM 551 OD1 ASP A 63 1.671 -1.118 -14.475 1.00 48.88 O ATOM 552 OD2 ASP A 63 1.147 -0.630 -16.541 1.00 50.16 O ATOM 553 N LEU A 64 3.260 3.490 -14.205 1.00 22.25 N ATOM 554 CA LEU A 64 3.653 4.889 -14.253 1.00 31.35 C ATOM 555 C LEU A 64 4.240 5.228 -15.611 1.00 30.30 C ATOM 556 O LEU A 64 4.832 4.378 -16.257 1.00 33.98 O ATOM 557 CB LEU A 64 4.681 5.158 -13.145 1.00 31.51 C ATOM 558 CG LEU A 64 4.199 5.638 -11.765 1.00 41.33 C ATOM 559 CD1 LEU A 64 2.917 4.950 -11.351 1.00 30.51 C ATOM 560 CD2 LEU A 64 5.299 5.398 -10.743 1.00 41.68 C ATOM 561 N LYS A 65 4.076 6.468 -16.052 1.00 39.73 N ATOM 562 CA LYS A 65 4.608 6.875 -17.352 1.00 41.26 C ATOM 563 C LYS A 65 5.997 7.464 -17.190 1.00 38.41 C ATOM 564 O LYS A 65 6.260 8.224 -16.264 1.00 36.67 O ATOM 565 CB LYS A 65 3.680 7.906 -17.990 1.00 50.45 C ATOM 566 CG LYS A 65 3.949 8.226 -19.451 1.00 56.39 C ATOM 567 CD LYS A 65 2.980 9.319 -19.913 1.00 61.77 C ATOM 568 CE LYS A 65 2.328 9.000 -21.255 1.00 63.58 C ATOM 569 NZ LYS A 65 3.313 8.738 -22.342 1.00 64.12 N ATOM 570 N VAL A 66 6.899 7.104 -18.086 1.00 39.31 N ATOM 571 CA VAL A 66 8.250 7.623 -18.003 1.00 35.37 C ATOM 572 C VAL A 66 8.714 8.017 -19.387 1.00 40.87 C ATOM 573 O VAL A 66 8.010 7.792 -20.374 1.00 44.60 O ATOM 574 CB VAL A 66 9.227 6.579 -17.414 1.00 38.06 C ATOM 575 CG1 VAL A 66 8.722 6.104 -16.051 1.00 43.08 C ATOM 576 CG2 VAL A 66 9.373 5.402 -18.349 1.00 35.22 C ATOM 577 N GLN A 67 9.887 8.632 -19.458 1.00 44.37 N ATOM 578 CA GLN A 67 10.444 9.030 -20.740 1.00 45.08 C ATOM 579 C GLN A 67 11.034 7.793 -21.410 1.00 45.84 C ATOM 580 O GLN A 67 11.809 7.052 -20.809 1.00 44.18 O ATOM 581 CB GLN A 67 11.508 10.094 -20.531 1.00 49.32 C ATOM 582 CG GLN A 67 10.949 11.389 -19.998 1.00 60.95 C ATOM 583 CD GLN A 67 11.771 11.938 -18.849 1.00 76.15 C ATOM 584 OE1 GLN A 67 12.933 12.316 -19.020 1.00 73.11 O ATOM 585 NE2 GLN A 67 11.173 11.971 -17.659 1.00 79.39 N ATOM 586 N PRO A 68 10.674 7.563 -22.679 1.00 48.65 N ATOM 587 CA PRO A 68 11.156 6.411 -23.444 1.00 48.01 C ATOM 588 C PRO A 68 12.654 6.075 -23.323 1.00 51.77 C ATOM 589 O PRO A 68 13.033 4.909 -23.454 1.00 55.04 O ATOM 590 CB PRO A 68 10.728 6.747 -24.872 1.00 48.10 C ATOM 591 CG PRO A 68 10.698 8.266 -24.873 1.00 49.35 C ATOM 592 CD PRO A 68 10.029 8.549 -23.564 1.00 41.08 C ATOM 593 N GLU A 69 13.514 7.061 -23.071 1.00 54.31 N ATOM 594 CA GLU A 69 14.944 6.754 -22.947 1.00 52.18 C ATOM 595 C GLU A 69 15.310 6.230 -21.556 1.00 48.60 C ATOM 596 O GLU A 69 16.456 5.865 -21.309 1.00 47.20 O ATOM 597 CB GLU A 69 15.809 7.983 -23.295 1.00 52.50 C ATOM 598 CG GLU A 69 15.849 9.108 -22.257 1.00 54.32 C ATOM 599 CD GLU A 69 14.800 10.181 -22.486 1.00 58.97 C ATOM 600 OE1 GLU A 69 14.929 11.264 -21.875 1.00 60.34 O ATOM 601 OE2 GLU A 69 13.844 9.950 -23.262 1.00 52.81 O ATOM 602 N LEU A 70 14.333 6.188 -20.653 1.00 48.36 N ATOM 603 CA LEU A 70 14.575 5.694 -19.299 1.00 45.72 C ATOM 604 C LEU A 70 13.958 4.323 -19.042 1.00 43.96 C ATOM 605 O LEU A 70 14.292 3.665 -18.061 1.00 40.90 O ATOM 606 CB LEU A 70 14.045 6.690 -18.273 1.00 37.46 C ATOM 607 CG LEU A 70 14.764 8.033 -18.277 1.00 39.50 C ATOM 608 CD1 LEU A 70 14.049 8.990 -17.354 1.00 33.98 C ATOM 609 CD2 LEU A 70 16.217 7.852 -17.851 1.00 28.17 C ATOM 610 N VAL A 71 13.064 3.889 -19.924 1.00 45.68 N ATOM 611 CA VAL A 71 12.410 2.595 -19.755 1.00 43.15 C ATOM 612 C VAL A 71 13.399 1.439 -19.704 1.00 42.45 C ATOM 613 O VAL A 71 13.234 0.507 -18.915 1.00 42.77 O ATOM 614 CB VAL A 71 11.395 2.333 -20.878 1.00 36.87 C ATOM 615 CG1 VAL A 71 10.761 0.966 -20.701 1.00 33.77 C ATOM 616 CG2 VAL A 71 10.327 3.398 -20.865 1.00 24.43 C ATOM 617 N GLY A 72 14.420 1.502 -20.552 1.00 45.92 N ATOM 618 CA GLY A 72 15.422 0.456 -20.589 1.00 42.74 C ATOM 619 C GLY A 72 16.208 0.340 -19.297 1.00 48.74 C ATOM 620 O GLY A 72 16.392 -0.766 -18.787 1.00 52.08 O ATOM 621 N SER A 73 16.667 1.479 -18.770 1.00 47.78 N ATOM 622 CA SER A 73 17.444 1.534 -17.528 1.00 47.39 C ATOM 623 C SER A 73 16.622 1.239 -16.264 1.00 44.80 C ATOM 624 O SER A 73 17.067 0.518 -15.371 1.00 42.11 O ATOM 625 CB SER A 73 18.111 2.904 -17.404 1.00 49.02 C ATOM 626 OG SER A 73 17.161 3.938 -17.568 1.00 58.12 O ATOM 627 N LEU A 74 15.425 1.808 -16.188 1.00 45.94 N ATOM 628 CA LEU A 74 14.553 1.571 -15.048 1.00 41.45 C ATOM 629 C LEU A 74 14.238 0.086 -14.935 1.00 44.55 C ATOM 630 O LEU A 74 14.424 -0.501 -13.878 1.00 49.45 O ATOM 631 CB LEU A 74 13.253 2.352 -15.205 1.00 38.53 C ATOM 632 CG LEU A 74 13.060 3.589 -14.319 1.00 42.79 C ATOM 633 CD1 LEU A 74 14.278 4.491 -14.409 1.00 46.34 C ATOM 634 CD2 LEU A 74 11.803 4.345 -14.747 1.00 43.28 C ATOM 635 N ARG A 75 13.769 -0.521 -16.028 1.00 40.72 N ATOM 636 CA ARG A 75 13.420 -1.946 -16.048 1.00 42.67 C ATOM 637 C ARG A 75 14.512 -2.862 -15.542 1.00 44.72 C ATOM 638 O ARG A 75 14.244 -4.011 -15.218 1.00 49.66 O ATOM 639 CB ARG A 75 13.029 -2.383 -17.462 1.00 39.55 C ATOM 640 CG ARG A 75 11.616 -1.993 -17.856 1.00 42.54 C ATOM 641 CD ARG A 75 11.319 -2.247 -19.329 1.00 43.30 C ATOM 642 NE ARG A 75 11.459 -3.643 -19.728 1.00 54.71 N ATOM 643 CZ ARG A 75 11.197 -4.091 -20.951 1.00 57.52 C ATOM 644 NH1 ARG A 75 10.774 -3.260 -21.891 1.00 51.56 N ATOM 645 NH2 ARG A 75 11.376 -5.371 -21.243 1.00 63.63 N ATOM 646 N LYS A 76 15.737 -2.345 -15.485 1.00 50.75 N ATOM 647 CA LYS A 76 16.893 -3.107 -15.018 1.00 53.48 C ATOM 648 C LYS A 76 16.928 -3.142 -13.493 1.00 56.08 C ATOM 649 O LYS A 76 17.584 -4.001 -12.893 1.00 50.68 O ATOM 650 CB LYS A 76 18.198 -2.488 -15.559 1.00 56.60 C ATOM 651 CG LYS A 76 18.783 -3.198 -16.799 1.00 60.68 C ATOM 652 CD LYS A 76 19.679 -2.283 -17.655 1.00 60.95 C ATOM 653 CE LYS A 76 20.821 -1.641 -16.858 1.00 63.26 C ATOM 654 NZ LYS A 76 21.434 -0.470 -17.606 1.00 69.51 N ATOM 655 N LYS A 77 16.231 -2.206 -12.858 1.00 57.32 N ATOM 656 CA LYS A 77 16.205 -2.195 -11.406 1.00 58.60 C ATOM 657 C LYS A 77 15.330 -3.334 -10.910 1.00 58.96 C ATOM 658 O LYS A 77 14.487 -3.865 -11.649 1.00 48.29 O ATOM 659 CB LYS A 77 15.668 -0.866 -10.857 1.00 56.54 C ATOM 660 CG LYS A 77 16.657 0.257 -10.927 1.00 58.39 C ATOM 661 CD LYS A 77 16.175 1.475 -10.188 1.00 57.43 C ATOM 662 CE LYS A 77 17.236 2.562 -10.242 1.00 60.90 C ATOM 663 NZ LYS A 77 16.837 3.749 -9.441 1.00 68.92 N ATOM 664 N PRO A 78 15.557 -3.757 -9.657 1.00 58.43 N ATOM 665 CA PRO A 78 14.767 -4.833 -9.076 1.00 59.32 C ATOM 666 C PRO A 78 13.451 -4.242 -8.609 1.00 58.67 C ATOM 667 O PRO A 78 13.427 -3.196 -7.951 1.00 60.32 O ATOM 668 CB PRO A 78 15.647 -5.322 -7.932 1.00 64.72 C ATOM 669 CG PRO A 78 16.387 -4.083 -7.528 1.00 59.68 C ATOM 670 CD PRO A 78 16.760 -3.491 -8.850 1.00 60.26 C ATOM 671 N GLY A 79 12.357 -4.904 -8.976 1.00 56.79 N ATOM 672 CA GLY A 79 11.039 -4.428 -8.583 1.00 61.06 C ATOM 673 C GLY A 79 10.295 -3.691 -9.687 1.00 52.69 C ATOM 674 O GLY A 79 9.100 -3.413 -9.552 1.00 49.80 O ATOM 675 N ILE A 80 11.009 -3.370 -10.764 1.00 47.19 N ATOM 676 CA ILE A 80 10.447 -2.669 -11.911 1.00 38.58 C ATOM 677 C ILE A 80 10.434 -3.660 -13.065 1.00 39.64 C ATOM 678 O ILE A 80 11.446 -4.284 -13.369 1.00 40.07 O ATOM 679 CB ILE A 80 11.297 -1.442 -12.275 1.00 30.76 C ATOM 680 CG1 ILE A 80 11.302 -0.467 -11.094 1.00 36.82 C ATOM 681 CG2 ILE A 80 10.747 -0.771 -13.514 1.00 35.20 C ATOM 682 CD1 ILE A 80 12.302 0.657 -11.205 1.00 23.43 C ATOM 683 N TYR A 81 9.266 -3.812 -13.681 1.00 41.25 N ATOM 684 CA TYR A 81 9.079 -4.735 -14.791 1.00 41.73 C ATOM 685 C TYR A 81 8.510 -3.987 -15.994 1.00 42.55 C ATOM 686 O TYR A 81 8.204 -2.804 -15.900 1.00 41.68 O ATOM 687 CB TYR A 81 8.117 -5.864 -14.375 1.00 32.39 C ATOM 688 CG TYR A 81 8.533 -6.622 -13.142 1.00 41.14 C ATOM 689 CD1 TYR A 81 8.485 -6.027 -11.882 1.00 43.25 C ATOM 690 CD2 TYR A 81 9.032 -7.925 -13.236 1.00 49.39 C ATOM 691 CE1 TYR A 81 8.936 -6.706 -10.747 1.00 44.88 C ATOM 692 CE2 TYR A 81 9.479 -8.616 -12.101 1.00 42.74 C ATOM 693 CZ TYR A 81 9.434 -7.997 -10.861 1.00 41.97 C ATOM 694 OH TYR A 81 9.923 -8.648 -9.740 1.00 35.38 O ATOM 695 N PRO A 82 8.389 -4.668 -17.147 1.00 43.04 N ATOM 696 CA PRO A 82 7.848 -4.081 -18.378 1.00 45.78 C ATOM 697 C PRO A 82 6.371 -3.720 -18.184 1.00 49.02 C ATOM 698 O PRO A 82 5.644 -4.419 -17.482 1.00 45.59 O ATOM 699 CB PRO A 82 8.036 -5.199 -19.395 1.00 47.12 C ATOM 700 CG PRO A 82 9.270 -5.872 -18.905 1.00 44.43 C ATOM 701 CD PRO A 82 9.011 -5.970 -17.438 1.00 39.79 C ATOM 702 N ALA A 83 5.925 -2.638 -18.809 1.00 46.14 N ATOM 703 CA ALA A 83 4.542 -2.207 -18.666 1.00 47.95 C ATOM 704 C ALA A 83 3.530 -3.312 -18.948 1.00 46.65 C ATOM 705 O ALA A 83 3.591 -3.979 -19.976 1.00 51.56 O ATOM 706 CB ALA A 83 4.272 -1.019 -19.569 1.00 52.58 C ATOM 707 N TYR A 84 2.595 -3.488 -18.024 1.00 39.46 N ATOM 708 CA TYR A 84 1.553 -4.485 -18.160 1.00 35.76 C ATOM 709 C TYR A 84 0.246 -3.781 -18.503 1.00 37.66 C ATOM 710 O TYR A 84 -0.189 -2.898 -17.771 1.00 35.68 O ATOM 711 CB TYR A 84 1.388 -5.250 -16.854 1.00 46.62 C ATOM 712 CG TYR A 84 0.300 -6.292 -16.916 1.00 47.33 C ATOM 713 CD1 TYR A 84 0.473 -7.464 -17.652 1.00 42.00 C ATOM 714 CD2 TYR A 84 -0.918 -6.093 -16.260 1.00 47.39 C ATOM 715 CE1 TYR A 84 -0.538 -8.410 -17.736 1.00 53.26 C ATOM 716 CE2 TYR A 84 -1.938 -7.030 -16.338 1.00 49.15 C ATOM 717 CZ TYR A 84 -1.741 -8.186 -17.080 1.00 57.20 C ATOM 718 OH TYR A 84 -2.756 -9.102 -17.194 1.00 65.79 O ATOM 719 N HIS A 85 -0.377 -4.194 -19.604 1.00 38.43 N ATOM 720 CA HIS A 85 -1.634 -3.616 -20.090 1.00 43.53 C ATOM 721 C HIS A 85 -1.484 -2.171 -20.558 1.00 44.02 C ATOM 722 O HIS A 85 -2.477 -1.477 -20.783 1.00 45.94 O ATOM 723 CB HIS A 85 -2.747 -3.674 -19.026 1.00 57.91 C ATOM 724 CG HIS A 85 -3.556 -4.938 -19.040 1.00 69.02 C ATOM 725 ND1 HIS A 85 -4.800 -5.023 -18.447 1.00 76.23 N ATOM 726 CD2 HIS A 85 -3.276 -6.178 -19.505 1.00 64.21 C ATOM 727 CE1 HIS A 85 -5.247 -6.266 -18.542 1.00 78.05 C ATOM 728 NE2 HIS A 85 -4.339 -6.984 -19.177 1.00 73.19 N HETATM 729 N MSE A 86 -0.247 -1.716 -20.698 1.00 37.99 N HETATM 730 CA MSE A 86 0.003 -0.366 -21.167 1.00 39.49 C HETATM 731 C MSE A 86 1.120 -0.447 -22.181 1.00 38.89 C HETATM 732 O MSE A 86 1.740 -1.498 -22.330 1.00 46.46 O HETATM 733 CB MSE A 86 0.407 0.549 -20.012 1.00 44.41 C HETATM 734 CG MSE A 86 -0.685 0.752 -18.971 1.00 53.59 C HETATM 735 SE MSE A 86 -2.192 1.771 -19.656 1.00 67.34 HETATM 736 CE MSE A 86 -1.684 3.530 -18.990 1.00 66.60 C ATOM 737 N ASN A 87 1.374 0.660 -22.871 1.00 38.86 N ATOM 738 CA ASN A 87 2.415 0.722 -23.889 1.00 42.90 C ATOM 739 C ASN A 87 3.799 0.553 -23.276 1.00 42.79 C ATOM 740 O ASN A 87 4.216 1.345 -22.427 1.00 45.97 O ATOM 741 CB ASN A 87 2.329 2.051 -24.625 1.00 41.30 C ATOM 742 CG ASN A 87 3.286 2.130 -25.777 1.00 30.51 C ATOM 743 OD1 ASN A 87 4.499 2.251 -25.597 1.00 31.48 O ATOM 744 ND2 ASN A 87 2.750 2.049 -26.982 1.00 39.56 N ATOM 745 N LYS A 88 4.529 -0.462 -23.724 1.00 39.88 N ATOM 746 CA LYS A 88 5.833 -0.731 -23.142 1.00 41.82 C ATOM 747 C LYS A 88 6.949 0.303 -23.365 1.00 44.35 C ATOM 748 O LYS A 88 7.897 0.375 -22.576 1.00 45.63 O ATOM 749 CB LYS A 88 6.295 -2.127 -23.573 1.00 39.93 C ATOM 750 CG LYS A 88 5.245 -3.222 -23.377 1.00 40.77 C ATOM 751 CD LYS A 88 5.925 -4.515 -22.917 1.00 47.75 C ATOM 752 CE LYS A 88 5.144 -5.805 -23.278 1.00 51.38 C ATOM 753 NZ LYS A 88 5.173 -6.185 -24.769 1.00 55.94 N ATOM 754 N GLU A 89 6.843 1.110 -24.419 1.00 39.79 N ATOM 755 CA GLU A 89 7.871 2.108 -24.694 1.00 45.84 C ATOM 756 C GLU A 89 7.678 3.393 -23.895 1.00 44.28 C ATOM 757 O GLU A 89 8.566 4.248 -23.840 1.00 46.39 O ATOM 758 CB GLU A 89 7.893 2.419 -26.188 1.00 53.03 C ATOM 759 CG GLU A 89 8.365 1.262 -27.038 1.00 66.12 C ATOM 760 CD GLU A 89 8.097 1.480 -28.507 1.00 79.27 C ATOM 761 OE1 GLU A 89 8.563 2.511 -29.052 1.00 75.01 O ATOM 762 OE2 GLU A 89 7.414 0.622 -29.115 1.00 86.14 O ATOM 763 N HIS A 90 6.516 3.526 -23.264 1.00 42.67 N ATOM 764 CA HIS A 90 6.215 4.716 -22.479 1.00 38.54 C ATOM 765 C HIS A 90 5.827 4.438 -21.031 1.00 40.25 C ATOM 766 O HIS A 90 5.878 5.350 -20.184 1.00 37.87 O ATOM 767 CB HIS A 90 5.104 5.499 -23.158 1.00 37.99 C ATOM 768 CG HIS A 90 5.528 6.138 -24.436 1.00 36.26 C ATOM 769 ND1 HIS A 90 6.215 7.330 -24.476 1.00 41.90 N ATOM 770 CD2 HIS A 90 5.397 5.733 -25.719 1.00 34.52 C ATOM 771 CE1 HIS A 90 6.489 7.634 -25.732 1.00 43.04 C ATOM 772 NE2 HIS A 90 6.002 6.681 -26.506 1.00 42.56 N ATOM 773 N TRP A 91 5.444 3.194 -20.740 1.00 31.10 N ATOM 774 CA TRP A 91 5.042 2.852 -19.384 1.00 34.97 C ATOM 775 C TRP A 91 5.944 1.837 -18.698 1.00 36.25 C ATOM 776 O TRP A 91 6.692 1.098 -19.337 1.00 34.64 O ATOM 777 CB TRP A 91 3.573 2.391 -19.342 1.00 30.56 C ATOM 778 CG TRP A 91 2.591 3.510 -19.679 1.00 37.21 C ATOM 779 CD1 TRP A 91 2.339 4.032 -20.919 1.00 37.11 C ATOM 780 CD2 TRP A 91 1.825 4.301 -18.755 1.00 34.83 C ATOM 781 NE1 TRP A 91 1.480 5.096 -20.823 1.00 37.81 N ATOM 782 CE2 TRP A 91 1.148 5.286 -19.507 1.00 40.93 C ATOM 783 CE3 TRP A 91 1.651 4.280 -17.364 1.00 36.99 C ATOM 784 CZ2 TRP A 91 0.306 6.236 -18.916 1.00 42.41 C ATOM 785 CZ3 TRP A 91 0.813 5.227 -16.772 1.00 37.95 C ATOM 786 CH2 TRP A 91 0.154 6.190 -17.549 1.00 40.89 C ATOM 787 N ILE A 92 5.852 1.841 -17.371 1.00 31.68 N ATOM 788 CA ILE A 92 6.628 1.008 -16.470 1.00 25.90 C ATOM 789 C ILE A 92 5.692 0.423 -15.441 1.00 28.66 C ATOM 790 O ILE A 92 4.719 1.061 -15.062 1.00 24.26 O ATOM 791 CB ILE A 92 7.678 1.888 -15.775 1.00 29.53 C ATOM 792 CG1 ILE A 92 8.883 2.012 -16.677 1.00 38.46 C ATOM 793 CG2 ILE A 92 8.111 1.314 -14.472 1.00 34.48 C ATOM 794 CD1 ILE A 92 9.475 0.670 -16.970 1.00 48.27 C ATOM 795 N THR A 93 5.970 -0.796 -14.997 1.00 30.27 N ATOM 796 CA THR A 93 5.127 -1.434 -13.989 1.00 34.61 C ATOM 797 C THR A 93 5.969 -1.617 -12.736 1.00 31.59 C ATOM 798 O THR A 93 6.953 -2.342 -12.760 1.00 32.96 O ATOM 799 CB THR A 93 4.609 -2.826 -14.456 1.00 30.34 C ATOM 800 OG1 THR A 93 3.662 -2.662 -15.521 1.00 32.49 O ATOM 801 CG2 THR A 93 3.938 -3.571 -13.302 1.00 27.24 C ATOM 802 N VAL A 94 5.595 -0.949 -11.649 1.00 32.69 N ATOM 803 CA VAL A 94 6.345 -1.070 -10.402 1.00 33.87 C ATOM 804 C VAL A 94 5.603 -1.995 -9.451 1.00 29.27 C ATOM 805 O VAL A 94 4.407 -1.849 -9.207 1.00 32.92 O ATOM 806 CB VAL A 94 6.589 0.309 -9.709 1.00 26.05 C ATOM 807 CG1 VAL A 94 7.428 0.120 -8.451 1.00 24.65 C ATOM 808 CG2 VAL A 94 7.310 1.252 -10.660 1.00 27.09 C ATOM 809 N LEU A 95 6.334 -2.957 -8.918 1.00 34.58 N ATOM 810 CA LEU A 95 5.752 -3.920 -8.010 1.00 38.71 C ATOM 811 C LEU A 95 5.650 -3.369 -6.581 1.00 40.57 C ATOM 812 O LEU A 95 6.667 -3.000 -5.986 1.00 35.87 O ATOM 813 CB LEU A 95 6.587 -5.197 -8.066 1.00 36.49 C ATOM 814 CG LEU A 95 6.157 -6.405 -7.252 1.00 43.92 C ATOM 815 CD1 LEU A 95 6.733 -6.300 -5.860 1.00 41.45 C ATOM 816 CD2 LEU A 95 4.634 -6.513 -7.245 1.00 43.88 C ATOM 817 N LEU A 96 4.418 -3.286 -6.058 1.00 39.51 N ATOM 818 CA LEU A 96 4.162 -2.798 -4.700 1.00 37.17 C ATOM 819 C LEU A 96 4.425 -3.922 -3.714 1.00 37.03 C ATOM 820 O LEU A 96 4.245 -5.089 -4.044 1.00 36.37 O ATOM 821 CB LEU A 96 2.716 -2.320 -4.523 1.00 30.83 C ATOM 822 CG LEU A 96 2.250 -1.081 -5.280 1.00 28.34 C ATOM 823 CD1 LEU A 96 0.849 -0.687 -4.830 1.00 28.59 C ATOM 824 CD2 LEU A 96 3.214 0.043 -5.026 1.00 23.33 C ATOM 825 N ASN A 97 4.814 -3.555 -2.497 1.00 40.89 N ATOM 826 CA ASN A 97 5.157 -4.516 -1.450 1.00 45.18 C ATOM 827 C ASN A 97 6.387 -5.204 -2.017 1.00 44.15 C ATOM 828 O ASN A 97 6.609 -6.398 -1.796 1.00 40.08 O ATOM 829 CB ASN A 97 4.038 -5.548 -1.204 1.00 39.79 C ATOM 830 CG ASN A 97 2.713 -4.910 -0.810 1.00 51.04 C ATOM 831 OD1 ASN A 97 1.899 -4.544 -1.666 1.00 54.46 O ATOM 832 ND2 ASN A 97 2.490 -4.767 0.492 1.00 40.09 N ATOM 833 N GLY A 98 7.175 -4.423 -2.759 1.00 41.59 N ATOM 834 CA GLY A 98 8.383 -4.930 -3.389 1.00 41.55 C ATOM 835 C GLY A 98 9.671 -4.244 -2.965 1.00 46.55 C ATOM 836 O GLY A 98 9.666 -3.399 -2.075 1.00 47.90 O ATOM 837 N PRO A 99 10.805 -4.593 -3.596 1.00 49.70 N ATOM 838 CA PRO A 99 12.129 -4.028 -3.303 1.00 49.35 C ATOM 839 C PRO A 99 12.355 -2.552 -3.622 1.00 47.75 C ATOM 840 O PRO A 99 13.359 -1.967 -3.202 1.00 40.29 O ATOM 841 CB PRO A 99 13.063 -4.911 -4.122 1.00 52.73 C ATOM 842 CG PRO A 99 12.227 -5.251 -5.316 1.00 49.56 C ATOM 843 CD PRO A 99 10.920 -5.625 -4.646 1.00 53.18 C ATOM 844 N LEU A 100 11.442 -1.953 -4.373 1.00 48.69 N ATOM 845 CA LEU A 100 11.603 -0.555 -4.747 1.00 47.17 C ATOM 846 C LEU A 100 11.238 0.342 -3.559 1.00 47.21 C ATOM 847 O LEU A 100 10.214 0.137 -2.892 1.00 42.92 O ATOM 848 CB LEU A 100 10.736 -0.257 -5.979 1.00 45.33 C ATOM 849 CG LEU A 100 11.244 0.734 -7.042 1.00 48.02 C ATOM 850 CD1 LEU A 100 10.898 2.155 -6.637 1.00 50.95 C ATOM 851 CD2 LEU A 100 12.755 0.581 -7.234 1.00 46.78 C ATOM 852 N GLY A 101 12.096 1.322 -3.286 1.00 44.19 N ATOM 853 CA GLY A 101 11.861 2.209 -2.165 1.00 50.13 C ATOM 854 C GLY A 101 10.748 3.222 -2.360 1.00 57.31 C ATOM 855 O GLY A 101 10.574 3.779 -3.464 1.00 60.32 O ATOM 856 N ALA A 102 9.986 3.464 -1.287 1.00 54.64 N ATOM 857 CA ALA A 102 8.895 4.439 -1.318 1.00 52.63 C ATOM 858 C ALA A 102 9.421 5.781 -1.840 1.00 58.24 C ATOM 859 O ALA A 102 8.731 6.457 -2.610 1.00 61.61 O ATOM 860 CB ALA A 102 8.294 4.619 0.082 1.00 46.26 C ATOM 861 N LYS A 103 10.639 6.174 -1.448 1.00 58.41 N ATOM 862 CA LYS A 103 11.169 7.455 -1.932 1.00 53.11 C ATOM 863 C LYS A 103 11.308 7.419 -3.447 1.00 50.89 C ATOM 864 O LYS A 103 10.808 8.313 -4.135 1.00 57.14 O ATOM 865 CB LYS A 103 12.529 7.785 -1.299 1.00 52.78 C ATOM 866 CG LYS A 103 12.974 9.245 -1.535 1.00 58.97 C ATOM 867 CD LYS A 103 14.429 9.495 -1.081 1.00 63.22 C ATOM 868 CE LYS A 103 15.417 8.833 -2.056 1.00 67.47 C ATOM 869 NZ LYS A 103 16.855 8.753 -1.592 1.00 61.76 N ATOM 870 N GLU A 104 11.990 6.389 -3.957 1.00 45.81 N ATOM 871 CA GLU A 104 12.198 6.220 -5.403 1.00 45.32 C ATOM 872 C GLU A 104 10.841 6.123 -6.108 1.00 48.37 C ATOM 873 O GLU A 104 10.675 6.611 -7.222 1.00 45.56 O ATOM 874 CB GLU A 104 13.006 4.955 -5.671 1.00 47.37 C ATOM 875 CG GLU A 104 13.228 4.643 -7.154 1.00 58.57 C ATOM 876 CD GLU A 104 14.114 5.662 -7.872 1.00 67.72 C ATOM 877 OE1 GLU A 104 15.300 5.841 -7.438 1.00 65.18 O ATOM 878 OE2 GLU A 104 13.630 6.273 -8.878 1.00 58.20 O ATOM 879 N ILE A 105 9.873 5.490 -5.450 1.00 46.36 N ATOM 880 CA ILE A 105 8.544 5.382 -6.016 1.00 42.44 C ATOM 881 C ILE A 105 7.860 6.750 -6.048 1.00 48.77 C ATOM 882 O ILE A 105 7.225 7.094 -7.037 1.00 56.70 O ATOM 883 CB ILE A 105 7.654 4.411 -5.209 1.00 45.90 C ATOM 884 CG1 ILE A 105 8.138 2.972 -5.398 1.00 39.79 C ATOM 885 CG2 ILE A 105 6.201 4.549 -5.648 1.00 38.53 C ATOM 886 CD1 ILE A 105 7.438 1.966 -4.507 1.00 29.89 C ATOM 887 N HIS A 106 7.973 7.533 -4.976 1.00 54.20 N ATOM 888 CA HIS A 106 7.328 8.854 -4.943 1.00 52.70 C ATOM 889 C HIS A 106 7.787 9.740 -6.081 1.00 56.07 C ATOM 890 O HIS A 106 6.982 10.467 -6.664 1.00 57.46 O ATOM 891 CB HIS A 106 7.605 9.569 -3.618 1.00 51.75 C ATOM 892 CG HIS A 106 6.911 8.950 -2.451 1.00 52.78 C ATOM 893 ND1 HIS A 106 7.332 9.128 -1.153 1.00 47.81 N ATOM 894 CD2 HIS A 106 5.854 8.102 -2.395 1.00 52.27 C ATOM 895 CE1 HIS A 106 6.573 8.410 -0.345 1.00 55.71 C ATOM 896 NE2 HIS A 106 5.669 7.778 -1.073 1.00 52.83 N ATOM 897 N SER A 107 9.082 9.682 -6.391 1.00 54.68 N ATOM 898 CA SER A 107 9.633 10.495 -7.465 1.00 50.77 C ATOM 899 C SER A 107 9.093 10.023 -8.812 1.00 49.07 C ATOM 900 O SER A 107 8.761 10.849 -9.670 1.00 53.06 O ATOM 901 CB SER A 107 11.164 10.445 -7.446 1.00 49.81 C ATOM 902 OG SER A 107 11.641 9.125 -7.584 1.00 64.29 O ATOM 903 N LEU A 108 8.992 8.702 -8.993 1.00 43.56 N ATOM 904 CA LEU A 108 8.459 8.123 -10.233 1.00 41.34 C ATOM 905 C LEU A 108 6.984 8.533 -10.393 1.00 39.04 C ATOM 906 O LEU A 108 6.537 8.868 -11.500 1.00 32.76 O ATOM 907 CB LEU A 108 8.607 6.595 -10.212 1.00 36.92 C ATOM 908 CG LEU A 108 10.050 6.062 -10.320 1.00 28.88 C ATOM 909 CD1 LEU A 108 10.104 4.569 -10.008 1.00 32.79 C ATOM 910 CD2 LEU A 108 10.587 6.319 -11.701 1.00 23.22 C ATOM 911 N ILE A 109 6.241 8.521 -9.281 1.00 38.76 N ATOM 912 CA ILE A 109 4.839 8.950 -9.278 1.00 43.58 C ATOM 913 C ILE A 109 4.812 10.420 -9.753 1.00 44.96 C ATOM 914 O ILE A 109 3.902 10.820 -10.472 1.00 44.40 O ATOM 915 CB ILE A 109 4.188 8.938 -7.852 1.00 39.30 C ATOM 916 CG1 ILE A 109 4.347 7.580 -7.150 1.00 35.35 C ATOM 917 CG2 ILE A 109 2.711 9.311 -7.970 1.00 32.69 C ATOM 918 CD1 ILE A 109 3.459 6.468 -7.657 1.00 42.89 C ATOM 919 N GLU A 110 5.798 11.217 -9.323 1.00 46.82 N ATOM 920 CA GLU A 110 5.885 12.627 -9.704 1.00 46.88 C ATOM 921 C GLU A 110 6.208 12.761 -11.185 1.00 45.00 C ATOM 922 O GLU A 110 5.574 13.528 -11.904 1.00 45.29 O ATOM 923 CB GLU A 110 6.959 13.349 -8.871 1.00 56.22 C ATOM 924 CG GLU A 110 7.119 14.865 -9.160 1.00 63.06 C ATOM 925 CD GLU A 110 5.817 15.664 -9.002 1.00 66.10 C ATOM 926 OE1 GLU A 110 5.175 15.567 -7.936 1.00 65.34 O ATOM 927 OE2 GLU A 110 5.439 16.399 -9.941 1.00 66.85 O ATOM 928 N ASP A 111 7.200 12.009 -11.639 1.00 40.95 N ATOM 929 CA ASP A 111 7.589 12.038 -13.036 1.00 43.60 C ATOM 930 C ASP A 111 6.410 11.721 -13.962 1.00 47.47 C ATOM 931 O ASP A 111 6.212 12.405 -14.963 1.00 53.14 O ATOM 932 CB ASP A 111 8.736 11.057 -13.260 1.00 53.32 C ATOM 933 CG ASP A 111 10.065 11.611 -12.788 1.00 63.47 C ATOM 934 OD1 ASP A 111 10.093 12.365 -11.784 1.00 62.44 O ATOM 935 OD2 ASP A 111 11.092 11.283 -13.411 1.00 69.87 O ATOM 936 N SER A 112 5.628 10.693 -13.628 1.00 43.07 N ATOM 937 CA SER A 112 4.459 10.292 -14.424 1.00 28.54 C ATOM 938 C SER A 112 3.406 11.392 -14.388 1.00 36.54 C ATOM 939 O SER A 112 2.707 11.627 -15.372 1.00 43.59 O ATOM 940 CB SER A 112 3.873 8.984 -13.871 1.00 29.53 C ATOM 941 OG SER A 112 2.802 8.518 -14.643 1.00 18.79 O ATOM 942 N PHE A 113 3.303 12.068 -13.246 1.00 38.96 N ATOM 943 CA PHE A 113 2.346 13.160 -13.062 1.00 42.60 C ATOM 944 C PHE A 113 2.691 14.337 -13.989 1.00 44.42 C ATOM 945 O PHE A 113 1.836 14.811 -14.725 1.00 46.76 O ATOM 946 CB PHE A 113 2.361 13.634 -11.607 1.00 43.22 C ATOM 947 CG PHE A 113 1.243 14.580 -11.264 1.00 50.06 C ATOM 948 CD1 PHE A 113 -0.066 14.129 -11.170 1.00 55.60 C ATOM 949 CD2 PHE A 113 1.493 15.928 -11.059 1.00 54.17 C ATOM 950 CE1 PHE A 113 -1.107 15.010 -10.874 1.00 48.63 C ATOM 951 CE2 PHE A 113 0.458 16.812 -10.764 1.00 43.77 C ATOM 952 CZ PHE A 113 -0.841 16.348 -10.674 1.00 46.02 C ATOM 953 N GLN A 114 3.946 14.790 -13.944 1.00 40.99 N ATOM 954 CA GLN A 114 4.420 15.889 -14.778 1.00 41.13 C ATOM 955 C GLN A 114 4.448 15.549 -16.261 1.00 41.38 C ATOM 956 O GLN A 114 4.305 16.424 -17.097 1.00 47.43 O ATOM 957 CB GLN A 114 5.836 16.319 -14.369 1.00 34.88 C ATOM 958 CG GLN A 114 5.971 17.014 -13.021 1.00 38.40 C ATOM 959 CD GLN A 114 5.043 18.201 -12.872 1.00 51.97 C ATOM 960 OE1 GLN A 114 5.010 19.094 -13.720 1.00 59.95 O ATOM 961 NE2 GLN A 114 4.278 18.216 -11.789 1.00 52.29 N ATOM 962 N LEU A 115 4.661 14.281 -16.581 1.00 45.70 N ATOM 963 CA LEU A 115 4.734 13.825 -17.969 1.00 41.67 C ATOM 964 C LEU A 115 3.353 13.851 -18.620 1.00 42.20 C ATOM 965 O LEU A 115 3.226 13.790 -19.843 1.00 39.47 O ATOM 966 CB LEU A 115 5.286 12.394 -18.014 1.00 48.25 C ATOM 967 CG LEU A 115 6.315 12.023 -19.082 1.00 50.76 C ATOM 968 CD1 LEU A 115 5.792 12.386 -20.478 1.00 50.08 C ATOM 969 CD2 LEU A 115 7.609 12.752 -18.787 1.00 51.02 C ATOM 970 N THR A 116 2.328 13.955 -17.784 1.00 40.44 N ATOM 971 CA THR A 116 0.946 13.950 -18.245 1.00 45.49 C ATOM 972 C THR A 116 0.163 15.192 -17.830 1.00 47.47 C ATOM 973 O THR A 116 -1.063 15.220 -17.913 1.00 47.09 O ATOM 974 CB THR A 116 0.234 12.693 -17.714 1.00 36.02 C ATOM 975 OG1 THR A 116 0.551 12.523 -16.330 1.00 26.55 O ATOM 976 CG2 THR A 116 0.691 11.464 -18.476 1.00 41.63 C ATOM 977 N ARG A 117 0.894 16.212 -17.392 1.00 53.39 N ATOM 978 CA ARG A 117 0.324 17.483 -16.938 1.00 65.37 C ATOM 979 C ARG A 117 -0.360 18.211 -18.104 1.00 68.29 C ATOM 980 O ARG A 117 -0.094 17.827 -19.264 1.00 66.28 O ATOM 981 CB ARG A 117 1.451 18.357 -16.360 1.00 72.20 C ATOM 982 CG ARG A 117 1.174 19.060 -15.029 1.00 78.89 C ATOM 983 CD ARG A 117 0.128 20.152 -15.170 1.00 91.56 C ATOM 984 NE ARG A 117 -1.129 19.792 -14.514 1.00 98.67 N ATOM 985 CZ ARG A 117 -1.322 19.800 -13.198 1.00 98.61 C ATOM 986 NH1 ARG A 117 -0.337 20.157 -12.381 1.00 99.25 N ATOM 987 NH2 ARG A 117 -2.504 19.452 -12.697 1.00 90.29 N TER 989 ARG A 117 HETATM 989 N MSE B 1 23.084 0.401 -1.507 1.00 51.79 N HETATM 990 CA MSE B 1 24.358 0.701 -0.792 1.00 55.11 C HETATM 991 C MSE B 1 25.486 -0.094 -1.430 1.00 54.12 C HETATM 992 O MSE B 1 25.310 -1.258 -1.773 1.00 50.06 O HETATM 993 CB MSE B 1 24.226 0.327 0.686 1.00 61.17 C HETATM 994 CG MSE B 1 25.420 0.711 1.553 1.00 72.41 C HETATM 995 SE MSE B 1 25.245 0.087 3.405 1.00 75.19 HETATM 996 CE MSE B 1 25.915 -1.700 3.133 1.00 87.94 C ATOM 997 N ASN B 2 26.644 0.538 -1.587 1.00 52.54 N ATOM 998 CA ASN B 2 27.785 -0.121 -2.208 1.00 50.81 C ATOM 999 C ASN B 2 28.929 -0.354 -1.236 1.00 50.74 C ATOM 1000 O ASN B 2 28.913 0.132 -0.102 1.00 45.51 O ATOM 1001 CB ASN B 2 28.292 0.714 -3.385 1.00 48.92 C ATOM 1002 CG ASN B 2 28.879 2.045 -2.944 1.00 54.87 C ATOM 1003 OD1 ASN B 2 29.182 2.905 -3.770 1.00 52.45 O ATOM 1004 ND2 ASN B 2 29.050 2.219 -1.638 1.00 48.93 N ATOM 1005 N ARG B 3 29.932 -1.080 -1.721 1.00 45.48 N ATOM 1006 CA ARG B 3 31.125 -1.428 -0.959 1.00 42.87 C ATOM 1007 C ARG B 3 31.717 -0.245 -0.200 1.00 42.23 C ATOM 1008 O ARG B 3 32.028 -0.354 0.982 1.00 41.59 O ATOM 1009 CB ARG B 3 32.177 -2.007 -1.906 1.00 44.18 C ATOM 1010 CG ARG B 3 33.345 -2.656 -1.208 1.00 40.10 C ATOM 1011 CD ARG B 3 34.465 -2.980 -2.174 1.00 40.50 C ATOM 1012 NE ARG B 3 35.292 -4.058 -1.650 1.00 46.37 N ATOM 1013 CZ ARG B 3 34.880 -5.321 -1.526 1.00 54.58 C ATOM 1014 NH1 ARG B 3 33.653 -5.660 -1.895 1.00 50.04 N ATOM 1015 NH2 ARG B 3 35.684 -6.249 -1.015 1.00 55.94 N ATOM 1016 N GLN B 4 31.872 0.881 -0.887 1.00 48.45 N ATOM 1017 CA GLN B 4 32.436 2.091 -0.288 1.00 49.78 C ATOM 1018 C GLN B 4 31.602 2.627 0.875 1.00 47.33 C ATOM 1019 O GLN B 4 32.096 2.756 1.992 1.00 40.15 O ATOM 1020 CB GLN B 4 32.560 3.188 -1.351 1.00 56.55 C ATOM 1021 CG GLN B 4 33.965 3.729 -1.579 1.00 70.41 C ATOM 1022 CD GLN B 4 34.597 4.288 -0.318 1.00 82.56 C ATOM 1023 OE1 GLN B 4 35.055 3.539 0.549 1.00 84.52 O ATOM 1024 NE2 GLN B 4 34.625 5.612 -0.208 1.00 86.97 N ATOM 1025 N GLN B 5 30.337 2.939 0.604 1.00 45.60 N ATOM 1026 CA GLN B 5 29.436 3.488 1.618 1.00 43.48 C ATOM 1027 C GLN B 5 29.351 2.616 2.849 1.00 44.84 C ATOM 1028 O GLN B 5 29.139 3.109 3.962 1.00 49.32 O ATOM 1029 CB GLN B 5 28.039 3.677 1.036 1.00 44.82 C ATOM 1030 CG GLN B 5 28.024 4.516 -0.217 1.00 43.26 C ATOM 1031 CD GLN B 5 26.670 4.500 -0.878 1.00 48.91 C ATOM 1032 OE1 GLN B 5 26.035 3.448 -0.986 1.00 41.08 O ATOM 1033 NE2 GLN B 5 26.223 5.661 -1.346 1.00 51.18 N ATOM 1034 N PHE B 6 29.503 1.314 2.636 1.00 44.93 N ATOM 1035 CA PHE B 6 29.453 0.349 3.720 1.00 39.02 C ATOM 1036 C PHE B 6 30.658 0.462 4.650 1.00 43.10 C ATOM 1037 O PHE B 6 30.484 0.714 5.844 1.00 45.39 O ATOM 1038 CB PHE B 6 29.354 -1.075 3.168 1.00 35.19 C ATOM 1039 CG PHE B 6 29.528 -2.133 4.213 1.00 33.88 C ATOM 1040 CD1 PHE B 6 30.795 -2.628 4.521 1.00 35.40 C ATOM 1041 CD2 PHE B 6 28.438 -2.575 4.951 1.00 31.19 C ATOM 1042 CE1 PHE B 6 30.969 -3.534 5.558 1.00 33.75 C ATOM 1043 CE2 PHE B 6 28.604 -3.477 5.987 1.00 30.65 C ATOM 1044 CZ PHE B 6 29.872 -3.957 6.290 1.00 36.42 C ATOM 1045 N ILE B 7 31.877 0.293 4.129 1.00 41.21 N ATOM 1046 CA ILE B 7 33.055 0.372 5.003 1.00 52.94 C ATOM 1047 C ILE B 7 33.111 1.713 5.734 1.00 55.38 C ATOM 1048 O ILE B 7 33.667 1.811 6.829 1.00 60.45 O ATOM 1049 CB ILE B 7 34.410 0.125 4.235 1.00 46.89 C ATOM 1050 CG1 ILE B 7 35.040 1.449 3.807 1.00 56.10 C ATOM 1051 CG2 ILE B 7 34.196 -0.799 3.060 1.00 42.30 C ATOM 1052 CD1 ILE B 7 36.062 1.988 4.801 1.00 44.19 C ATOM 1053 N ASP B 8 32.530 2.740 5.125 1.00 53.65 N ATOM 1054 CA ASP B 8 32.506 4.053 5.733 1.00 56.92 C ATOM 1055 C ASP B 8 31.517 4.058 6.891 1.00 54.26 C ATOM 1056 O ASP B 8 31.830 4.529 7.980 1.00 63.50 O ATOM 1057 CB ASP B 8 32.104 5.112 4.701 1.00 64.61 C ATOM 1058 CG ASP B 8 33.222 5.432 3.717 1.00 70.31 C ATOM 1059 OD1 ASP B 8 32.942 6.133 2.720 1.00 69.50 O ATOM 1060 OD2 ASP B 8 34.375 4.997 3.935 1.00 72.80 O ATOM 1061 N TYR B 9 30.320 3.536 6.671 1.00 46.18 N ATOM 1062 CA TYR B 9 29.347 3.521 7.746 1.00 46.85 C ATOM 1063 C TYR B 9 29.887 2.795 8.979 1.00 49.87 C ATOM 1064 O TYR B 9 29.674 3.236 10.101 1.00 57.12 O ATOM 1065 CB TYR B 9 28.043 2.886 7.263 1.00 43.09 C ATOM 1066 CG TYR B 9 27.014 2.651 8.347 1.00 39.17 C ATOM 1067 CD1 TYR B 9 26.983 1.459 9.051 1.00 39.15 C ATOM 1068 CD2 TYR B 9 26.052 3.609 8.642 1.00 48.23 C ATOM 1069 CE1 TYR B 9 26.017 1.215 10.014 1.00 41.06 C ATOM 1070 CE2 TYR B 9 25.078 3.381 9.607 1.00 42.51 C ATOM 1071 CZ TYR B 9 25.067 2.179 10.287 1.00 47.28 C ATOM 1072 OH TYR B 9 24.104 1.930 11.233 1.00 55.22 O ATOM 1073 N ALA B 10 30.608 1.700 8.767 1.00 50.48 N ATOM 1074 CA ALA B 10 31.167 0.927 9.872 1.00 53.32 C ATOM 1075 C ALA B 10 32.207 1.713 10.659 1.00 57.55 C ATOM 1076 O ALA B 10 32.268 1.630 11.882 1.00 56.08 O ATOM 1077 CB ALA B 10 31.787 -0.349 9.343 1.00 53.09 C ATOM 1078 N GLN B 11 33.030 2.464 9.938 1.00 65.99 N ATOM 1079 CA GLN B 11 34.083 3.283 10.538 1.00 68.20 C ATOM 1080 C GLN B 11 33.503 4.385 11.424 1.00 71.81 C ATOM 1081 O GLN B 11 34.055 4.701 12.478 1.00 73.11 O ATOM 1082 CB GLN B 11 34.951 3.907 9.430 1.00 65.90 C ATOM 1083 CG GLN B 11 35.961 4.957 9.889 1.00 66.47 C ATOM 1084 CD GLN B 11 36.965 4.431 10.895 1.00 65.66 C ATOM 1085 OE1 GLN B 11 37.684 3.468 10.631 1.00 71.35 O ATOM 1086 NE2 GLN B 11 37.025 5.066 12.056 1.00 67.00 N ATOM 1087 N LYS B 12 32.384 4.961 11.000 1.00 67.29 N ATOM 1088 CA LYS B 12 31.761 6.032 11.764 1.00 68.51 C ATOM 1089 C LYS B 12 30.848 5.531 12.876 1.00 68.68 C ATOM 1090 O LYS B 12 31.003 5.931 14.028 1.00 69.00 O ATOM 1091 CB LYS B 12 30.970 6.960 10.837 1.00 69.27 C ATOM 1092 CG LYS B 12 31.760 7.464 9.633 1.00 74.66 C ATOM 1093 CD LYS B 12 32.979 8.297 10.031 1.00 79.78 C ATOM 1094 CE LYS B 12 32.576 9.655 10.594 1.00 85.16 C ATOM 1095 NZ LYS B 12 33.766 10.510 10.900 1.00 85.44 N ATOM 1096 N LYS B 13 29.899 4.663 12.535 1.00 65.35 N ATOM 1097 CA LYS B 13 28.955 4.137 13.521 1.00 59.21 C ATOM 1098 C LYS B 13 29.524 3.146 14.513 1.00 57.38 C ATOM 1099 O LYS B 13 28.876 2.838 15.507 1.00 53.77 O ATOM 1100 CB LYS B 13 27.760 3.477 12.833 1.00 54.41 C ATOM 1101 CG LYS B 13 26.592 4.412 12.544 1.00 70.96 C ATOM 1102 CD LYS B 13 25.750 4.723 13.781 1.00 65.99 C ATOM 1103 CE LYS B 13 24.967 3.511 14.253 1.00 60.32 C ATOM 1104 NZ LYS B 13 25.889 2.418 14.618 1.00 55.57 N ATOM 1105 N TYR B 14 30.724 2.643 14.256 1.00 55.61 N ATOM 1106 CA TYR B 14 31.318 1.674 15.163 1.00 51.49 C ATOM 1107 C TYR B 14 32.794 1.929 15.392 1.00 55.21 C ATOM 1108 O TYR B 14 33.394 1.325 16.268 1.00 51.15 O ATOM 1109 CB TYR B 14 31.116 0.249 14.625 1.00 51.81 C ATOM 1110 CG TYR B 14 29.665 -0.157 14.465 1.00 43.41 C ATOM 1111 CD1 TYR B 14 28.858 -0.410 15.574 1.00 46.83 C ATOM 1112 CD2 TYR B 14 29.080 -0.214 13.208 1.00 47.73 C ATOM 1113 CE1 TYR B 14 27.493 -0.701 15.429 1.00 39.04 C ATOM 1114 CE2 TYR B 14 27.726 -0.500 13.049 1.00 45.79 C ATOM 1115 CZ TYR B 14 26.939 -0.738 14.163 1.00 46.87 C ATOM 1116 OH TYR B 14 25.597 -0.979 14.000 1.00 50.77 O ATOM 1117 N ASP B 15 33.382 2.819 14.599 1.00 65.17 N ATOM 1118 CA ASP B 15 34.798 3.135 14.743 1.00 72.08 C ATOM 1119 C ASP B 15 35.639 1.867 14.580 1.00 70.75 C ATOM 1120 O ASP B 15 36.600 1.638 15.316 1.00 67.15 O ATOM 1121 CB ASP B 15 35.039 3.770 16.118 1.00 81.73 C ATOM 1122 CG ASP B 15 36.294 4.616 16.160 1.00 91.62 C ATOM 1123 OD1 ASP B 15 37.406 4.043 16.229 1.00 95.89 O ATOM 1124 OD2 ASP B 15 36.159 5.860 16.111 1.00 92.07 O ATOM 1125 N THR B 16 35.269 1.052 13.597 1.00 74.28 N ATOM 1126 CA THR B 16 35.962 -0.201 13.306 1.00 72.23 C ATOM 1127 C THR B 16 36.764 -0.095 12.014 1.00 69.41 C ATOM 1128 O THR B 16 36.260 0.405 11.004 1.00 54.48 O ATOM 1129 CB THR B 16 34.961 -1.381 13.126 1.00 72.88 C ATOM 1130 OG1 THR B 16 34.135 -1.513 14.292 1.00 68.47 O ATOM 1131 CG2 THR B 16 35.715 -2.688 12.892 1.00 70.04 C ATOM 1132 N LYS B 17 38.007 -0.568 12.048 1.00 71.88 N ATOM 1133 CA LYS B 17 38.865 -0.555 10.862 1.00 72.36 C ATOM 1134 C LYS B 17 38.755 -1.923 10.170 1.00 65.04 C ATOM 1135 O LYS B 17 38.873 -2.970 10.815 1.00 64.74 O ATOM 1136 CB LYS B 17 40.326 -0.232 11.257 1.00 78.88 C ATOM 1137 CG LYS B 17 41.409 -1.230 10.782 1.00 87.76 C ATOM 1138 CD LYS B 17 41.586 -2.424 11.751 1.00 88.96 C ATOM 1139 CE LYS B 17 42.489 -3.536 11.183 1.00 78.73 C ATOM 1140 NZ LYS B 17 43.833 -3.076 10.714 1.00 66.86 N ATOM 1141 N PRO B 18 38.500 -1.928 8.853 1.00 56.07 N ATOM 1142 CA PRO B 18 38.371 -3.178 8.108 1.00 51.96 C ATOM 1143 C PRO B 18 39.639 -4.009 8.119 1.00 56.68 C ATOM 1144 O PRO B 18 40.735 -3.477 7.959 1.00 58.12 O ATOM 1145 CB PRO B 18 37.995 -2.700 6.714 1.00 52.52 C ATOM 1146 CG PRO B 18 38.669 -1.373 6.624 1.00 46.90 C ATOM 1147 CD PRO B 18 38.347 -0.771 7.956 1.00 54.15 C ATOM 1148 N ASP B 19 39.476 -5.317 8.312 1.00 61.52 N ATOM 1149 CA ASP B 19 40.600 -6.249 8.343 1.00 60.04 C ATOM 1150 C ASP B 19 40.600 -7.127 7.107 1.00 58.11 C ATOM 1151 O ASP B 19 39.548 -7.385 6.527 1.00 54.69 O ATOM 1152 CB ASP B 19 40.526 -7.122 9.583 1.00 65.77 C ATOM 1153 CG ASP B 19 41.700 -6.921 10.476 1.00 76.89 C ATOM 1154 OD1 ASP B 19 42.839 -7.155 10.007 1.00 86.30 O ATOM 1155 OD2 ASP B 19 41.493 -6.522 11.645 1.00 90.02 O ATOM 1156 N HIS B 20 41.776 -7.598 6.711 1.00 51.14 N ATOM 1157 CA HIS B 20 41.881 -8.439 5.530 1.00 48.79 C ATOM 1158 C HIS B 20 42.705 -9.663 5.860 1.00 50.46 C ATOM 1159 O HIS B 20 43.916 -9.696 5.609 1.00 48.71 O ATOM 1160 CB HIS B 20 42.530 -7.658 4.386 1.00 37.86 C ATOM 1161 CG HIS B 20 41.882 -6.334 4.141 1.00 33.92 C ATOM 1162 ND1 HIS B 20 40.667 -6.204 3.503 1.00 28.85 N ATOM 1163 CD2 HIS B 20 42.233 -5.086 4.536 1.00 26.65 C ATOM 1164 CE1 HIS B 20 40.297 -4.938 3.518 1.00 27.90 C ATOM 1165 NE2 HIS B 20 41.229 -4.240 4.140 1.00 31.07 N ATOM 1166 N PRO B 21 42.057 -10.688 6.430 1.00 45.55 N ATOM 1167 CA PRO B 21 42.693 -11.944 6.820 1.00 40.57 C ATOM 1168 C PRO B 21 43.287 -12.747 5.685 1.00 39.64 C ATOM 1169 O PRO B 21 44.344 -13.345 5.844 1.00 39.16 O ATOM 1170 CB PRO B 21 41.564 -12.703 7.497 1.00 43.51 C ATOM 1171 CG PRO B 21 40.706 -11.625 8.031 1.00 51.94 C ATOM 1172 CD PRO B 21 40.660 -10.656 6.886 1.00 39.87 C ATOM 1173 N TRP B 22 42.588 -12.771 4.550 1.00 41.62 N ATOM 1174 CA TRP B 22 43.010 -13.536 3.376 1.00 43.56 C ATOM 1175 C TRP B 22 43.950 -12.795 2.447 1.00 45.94 C ATOM 1176 O TRP B 22 43.603 -11.766 1.891 1.00 48.96 O ATOM 1177 CB TRP B 22 41.788 -13.976 2.569 1.00 42.08 C ATOM 1178 CG TRP B 22 40.853 -14.830 3.337 1.00 35.55 C ATOM 1179 CD1 TRP B 22 40.927 -16.178 3.516 1.00 31.45 C ATOM 1180 CD2 TRP B 22 39.720 -14.387 4.069 1.00 41.17 C ATOM 1181 NE1 TRP B 22 39.905 -16.604 4.319 1.00 34.33 N ATOM 1182 CE2 TRP B 22 39.145 -15.519 4.675 1.00 35.70 C ATOM 1183 CE3 TRP B 22 39.128 -13.132 4.279 1.00 47.24 C ATOM 1184 CZ2 TRP B 22 38.004 -15.439 5.478 1.00 32.99 C ATOM 1185 CZ3 TRP B 22 37.996 -13.052 5.079 1.00 38.03 C ATOM 1186 CH2 TRP B 22 37.448 -14.196 5.668 1.00 43.84 C ATOM 1187 N GLU B 23 45.136 -13.351 2.269 1.00 46.72 N ATOM 1188 CA GLU B 23 46.139 -12.762 1.413 1.00 45.82 C ATOM 1189 C GLU B 23 45.722 -12.939 -0.032 1.00 46.31 C ATOM 1190 O GLU B 23 45.902 -12.052 -0.862 1.00 46.96 O ATOM 1191 CB GLU B 23 47.482 -13.451 1.663 1.00 56.97 C ATOM 1192 CG GLU B 23 47.476 -14.986 1.437 1.00 83.72 C ATOM 1193 CD GLU B 23 46.733 -15.800 2.523 1.00 92.90 C ATOM 1194 OE1 GLU B 23 47.262 -15.955 3.653 1.00 87.45 O ATOM 1195 OE2 GLU B 23 45.616 -16.290 2.237 1.00 89.80 O ATOM 1196 N LYS B 24 45.160 -14.104 -0.316 1.00 46.48 N ATOM 1197 CA LYS B 24 44.705 -14.460 -1.652 1.00 55.08 C ATOM 1198 C LYS B 24 43.562 -13.573 -2.141 1.00 48.12 C ATOM 1199 O LYS B 24 43.427 -13.339 -3.342 1.00 39.77 O ATOM 1200 CB LYS B 24 44.273 -15.934 -1.659 1.00 67.52 C ATOM 1201 CG LYS B 24 45.439 -16.942 -1.599 1.00 75.84 C ATOM 1202 CD LYS B 24 45.004 -18.325 -1.068 1.00 85.11 C ATOM 1203 CE LYS B 24 43.826 -18.961 -1.847 1.00 84.63 C ATOM 1204 NZ LYS B 24 44.163 -19.506 -3.203 1.00 75.38 N ATOM 1205 N PHE B 25 42.748 -13.083 -1.211 1.00 41.49 N ATOM 1206 CA PHE B 25 41.621 -12.222 -1.553 1.00 45.47 C ATOM 1207 C PHE B 25 41.701 -10.851 -0.883 1.00 43.51 C ATOM 1208 O PHE B 25 41.164 -10.663 0.206 1.00 44.47 O ATOM 1209 CB PHE B 25 40.315 -12.899 -1.155 1.00 46.61 C ATOM 1210 CG PHE B 25 40.131 -14.241 -1.771 1.00 52.22 C ATOM 1211 CD1 PHE B 25 40.740 -15.357 -1.225 1.00 59.81 C ATOM 1212 CD2 PHE B 25 39.373 -14.391 -2.920 1.00 54.15 C ATOM 1213 CE1 PHE B 25 40.599 -16.605 -1.821 1.00 67.07 C ATOM 1214 CE2 PHE B 25 39.227 -15.630 -3.521 1.00 60.85 C ATOM 1215 CZ PHE B 25 39.840 -16.740 -2.970 1.00 63.12 C ATOM 1216 N PRO B 26 42.360 -9.873 -1.538 1.00 34.02 N ATOM 1217 CA PRO B 26 42.518 -8.514 -1.017 1.00 33.86 C ATOM 1218 C PRO B 26 41.194 -7.826 -0.739 1.00 38.80 C ATOM 1219 O PRO B 26 41.127 -6.946 0.104 1.00 36.12 O ATOM 1220 CB PRO B 26 43.291 -7.816 -2.121 1.00 30.98 C ATOM 1221 CG PRO B 26 44.056 -8.922 -2.747 1.00 30.45 C ATOM 1222 CD PRO B 26 43.028 -9.997 -2.845 1.00 32.39 C ATOM 1223 N ASP B 27 40.150 -8.229 -1.456 1.00 43.84 N ATOM 1224 CA ASP B 27 38.833 -7.628 -1.290 1.00 49.60 C ATOM 1225 C ASP B 27 38.074 -8.054 -0.078 1.00 51.77 C ATOM 1226 O ASP B 27 37.440 -7.232 0.585 1.00 59.20 O ATOM 1227 CB ASP B 27 37.964 -7.911 -2.493 1.00 52.82 C ATOM 1228 CG ASP B 27 38.336 -7.069 -3.646 1.00 59.15 C ATOM 1229 OD1 ASP B 27 37.707 -7.214 -4.703 1.00 70.81 O ATOM 1230 OD2 ASP B 27 39.264 -6.249 -3.487 1.00 72.81 O ATOM 1231 N TYR B 28 38.102 -9.349 0.200 1.00 44.22 N ATOM 1232 CA TYR B 28 37.388 -9.854 1.357 1.00 41.52 C ATOM 1233 C TYR B 28 37.857 -9.068 2.577 1.00 33.68 C ATOM 1234 O TYR B 28 39.044 -8.955 2.819 1.00 38.59 O ATOM 1235 CB TYR B 28 37.657 -11.352 1.530 1.00 39.39 C ATOM 1236 CG TYR B 28 37.149 -12.210 0.391 1.00 37.99 C ATOM 1237 CD1 TYR B 28 36.996 -13.583 0.542 1.00 42.30 C ATOM 1238 CD2 TYR B 28 36.805 -11.647 -0.832 1.00 39.86 C ATOM 1239 CE1 TYR B 28 36.506 -14.375 -0.498 1.00 40.64 C ATOM 1240 CE2 TYR B 28 36.312 -12.422 -1.879 1.00 42.42 C ATOM 1241 CZ TYR B 28 36.163 -13.781 -1.709 1.00 46.11 C ATOM 1242 OH TYR B 28 35.653 -14.521 -2.749 1.00 44.65 O ATOM 1243 N ALA B 29 36.917 -8.505 3.321 1.00 33.10 N ATOM 1244 CA ALA B 29 37.232 -7.733 4.511 1.00 30.49 C ATOM 1245 C ALA B 29 36.278 -8.094 5.646 1.00 37.99 C ATOM 1246 O ALA B 29 35.064 -8.184 5.442 1.00 41.21 O ATOM 1247 CB ALA B 29 37.132 -6.252 4.208 1.00 37.05 C ATOM 1248 N VAL B 30 36.819 -8.316 6.841 1.00 42.96 N ATOM 1249 CA VAL B 30 35.969 -8.646 7.982 1.00 46.50 C ATOM 1250 C VAL B 30 35.917 -7.474 8.971 1.00 47.86 C ATOM 1251 O VAL B 30 36.829 -6.635 9.028 1.00 42.96 O ATOM 1252 CB VAL B 30 36.447 -9.944 8.729 1.00 45.81 C ATOM 1253 CG1 VAL B 30 36.606 -11.089 7.742 1.00 42.62 C ATOM 1254 CG2 VAL B 30 37.742 -9.701 9.476 1.00 44.13 C ATOM 1255 N PHE B 31 34.826 -7.404 9.729 1.00 46.86 N ATOM 1256 CA PHE B 31 34.650 -6.354 10.722 1.00 47.11 C ATOM 1257 C PHE B 31 34.385 -7.027 12.052 1.00 50.28 C ATOM 1258 O PHE B 31 33.410 -7.766 12.199 1.00 52.27 O ATOM 1259 CB PHE B 31 33.477 -5.450 10.346 1.00 41.33 C ATOM 1260 CG PHE B 31 33.703 -4.683 9.074 1.00 52.06 C ATOM 1261 CD1 PHE B 31 33.750 -5.339 7.852 1.00 50.92 C ATOM 1262 CD2 PHE B 31 33.909 -3.311 9.101 1.00 57.00 C ATOM 1263 CE1 PHE B 31 34.002 -4.642 6.680 1.00 45.58 C ATOM 1264 CE2 PHE B 31 34.162 -2.605 7.931 1.00 51.08 C ATOM 1265 CZ PHE B 31 34.206 -3.275 6.720 1.00 50.99 C ATOM 1266 N ARG B 32 35.261 -6.788 13.021 1.00 48.95 N ATOM 1267 CA ARG B 32 35.083 -7.395 14.326 1.00 53.15 C ATOM 1268 C ARG B 32 35.246 -6.397 15.448 1.00 47.02 C ATOM 1269 O ARG B 32 35.571 -5.239 15.209 1.00 38.13 O ATOM 1270 CB ARG B 32 36.067 -8.545 14.518 1.00 57.73 C ATOM 1271 CG ARG B 32 37.519 -8.132 14.576 1.00 60.01 C ATOM 1272 CD ARG B 32 38.248 -8.509 13.299 1.00 62.89 C ATOM 1273 NE ARG B 32 39.676 -8.240 13.412 1.00 58.07 N ATOM 1274 CZ ARG B 32 40.489 -8.875 14.247 1.00 64.40 C ATOM 1275 NH1 ARG B 32 41.775 -8.559 14.281 1.00 63.51 N ATOM 1276 NH2 ARG B 32 40.020 -9.831 15.038 1.00 59.76 N ATOM 1277 N HIS B 33 34.993 -6.865 16.670 1.00 50.35 N ATOM 1278 CA HIS B 33 35.118 -6.049 17.869 1.00 56.77 C ATOM 1279 C HIS B 33 36.556 -6.122 18.352 1.00 66.76 C ATOM 1280 O HIS B 33 37.249 -7.125 18.123 1.00 66.43 O ATOM 1281 CB HIS B 33 34.214 -6.554 18.993 1.00 53.02 C ATOM 1282 CG HIS B 33 32.753 -6.529 18.663 1.00 49.51 C ATOM 1283 ND1 HIS B 33 32.121 -7.549 17.986 1.00 39.36 N ATOM 1284 CD2 HIS B 33 31.788 -5.624 18.958 1.00 46.08 C ATOM 1285 CE1 HIS B 33 30.831 -7.278 17.882 1.00 38.65 C ATOM 1286 NE2 HIS B 33 30.604 -6.115 18.465 1.00 32.22 N ATOM 1287 N SER B 34 37.004 -5.069 19.028 1.00 70.69 N ATOM 1288 CA SER B 34 38.367 -5.025 19.545 1.00 70.80 C ATOM 1289 C SER B 34 38.450 -5.891 20.812 1.00 71.18 C ATOM 1290 O SER B 34 39.532 -6.338 21.212 1.00 63.32 O ATOM 1291 CB SER B 34 38.748 -3.577 19.847 1.00 71.54 C ATOM 1292 OG SER B 34 40.134 -3.475 20.106 1.00 80.04 O ATOM 1293 N ASP B 35 37.281 -6.131 21.410 1.00 71.20 N ATOM 1294 CA ASP B 35 37.120 -6.931 22.616 1.00 69.92 C ATOM 1295 C ASP B 35 37.429 -8.401 22.365 1.00 70.84 C ATOM 1296 O ASP B 35 38.561 -8.849 22.547 1.00 69.14 O ATOM 1297 CB ASP B 35 35.680 -6.816 23.118 1.00 75.03 C ATOM 1298 CG ASP B 35 35.201 -5.382 23.194 1.00 83.78 C ATOM 1299 OD1 ASP B 35 35.784 -4.604 23.981 1.00 82.90 O ATOM 1300 OD2 ASP B 35 34.248 -5.030 22.458 1.00 87.47 O ATOM 1301 N ASN B 36 36.406 -9.141 21.938 1.00 67.33 N ATOM 1302 CA ASN B 36 36.518 -10.576 21.670 1.00 66.23 C ATOM 1303 C ASN B 36 36.972 -10.953 20.262 1.00 63.22 C ATOM 1304 O ASN B 36 37.059 -12.141 19.935 1.00 58.44 O ATOM 1305 CB ASN B 36 35.180 -11.260 21.935 1.00 69.47 C ATOM 1306 CG ASN B 36 34.025 -10.564 21.240 1.00 76.48 C ATOM 1307 OD1 ASN B 36 34.106 -10.250 20.052 1.00 69.77 O ATOM 1308 ND2 ASN B 36 32.937 -10.326 21.974 1.00 79.95 N ATOM 1309 N ASP B 37 37.255 -9.956 19.431 1.00 60.94 N ATOM 1310 CA ASP B 37 37.693 -10.219 18.071 1.00 60.31 C ATOM 1311 C ASP B 37 36.632 -11.019 17.295 1.00 57.77 C ATOM 1312 O ASP B 37 36.962 -11.760 16.365 1.00 61.22 O ATOM 1313 CB ASP B 37 39.018 -10.993 18.094 1.00 62.74 C ATOM 1314 CG ASP B 37 40.138 -10.234 18.790 1.00 75.81 C ATOM 1315 OD1 ASP B 37 41.235 -10.811 18.962 1.00 74.81 O ATOM 1316 OD2 ASP B 37 39.928 -9.061 19.165 1.00 84.33 O ATOM 1317 N LYS B 38 35.364 -10.877 17.670 1.00 49.81 N ATOM 1318 CA LYS B 38 34.300 -11.599 16.974 1.00 46.05 C ATOM 1319 C LYS B 38 33.815 -10.847 15.741 1.00 45.07 C ATOM 1320 O LYS B 38 33.493 -9.665 15.806 1.00 46.51 O ATOM 1321 CB LYS B 38 33.118 -11.875 17.913 1.00 45.56 C ATOM 1322 CG LYS B 38 33.427 -12.859 19.024 1.00 46.56 C ATOM 1323 CD LYS B 38 32.167 -13.333 19.719 1.00 57.33 C ATOM 1324 CE LYS B 38 32.496 -14.377 20.781 1.00 63.44 C ATOM 1325 NZ LYS B 38 31.302 -15.149 21.251 1.00 72.51 N ATOM 1326 N TRP B 39 33.781 -11.550 14.616 1.00 40.89 N ATOM 1327 CA TRP B 39 33.338 -10.991 13.347 1.00 33.87 C ATOM 1328 C TRP B 39 31.851 -10.705 13.409 1.00 41.16 C ATOM 1329 O TRP B 39 31.085 -11.533 13.909 1.00 50.68 O ATOM 1330 CB TRP B 39 33.566 -11.997 12.221 1.00 37.74 C ATOM 1331 CG TRP B 39 34.990 -12.361 11.971 1.00 40.66 C ATOM 1332 CD1 TRP B 39 36.080 -12.015 12.726 1.00 41.46 C ATOM 1333 CD2 TRP B 39 35.488 -13.137 10.882 1.00 44.44 C ATOM 1334 NE1 TRP B 39 37.222 -12.524 12.174 1.00 35.19 N ATOM 1335 CE2 TRP B 39 36.888 -13.222 11.042 1.00 42.10 C ATOM 1336 CE3 TRP B 39 34.886 -13.778 9.784 1.00 43.88 C ATOM 1337 CZ2 TRP B 39 37.696 -13.918 10.140 1.00 39.15 C ATOM 1338 CZ3 TRP B 39 35.693 -14.467 8.892 1.00 27.95 C ATOM 1339 CH2 TRP B 39 37.078 -14.535 9.076 1.00 33.02 C ATOM 1340 N TYR B 40 31.433 -9.549 12.899 1.00 34.70 N ATOM 1341 CA TYR B 40 30.017 -9.210 12.892 1.00 30.94 C ATOM 1342 C TYR B 40 29.598 -8.760 11.492 1.00 27.75 C ATOM 1343 O TYR B 40 28.445 -8.441 11.251 1.00 28.79 O ATOM 1344 CB TYR B 40 29.738 -8.122 13.938 1.00 36.50 C ATOM 1345 CG TYR B 40 30.281 -6.740 13.631 1.00 39.98 C ATOM 1346 CD1 TYR B 40 29.587 -5.867 12.792 1.00 46.81 C ATOM 1347 CD2 TYR B 40 31.476 -6.291 14.198 1.00 41.46 C ATOM 1348 CE1 TYR B 40 30.066 -4.580 12.521 1.00 49.14 C ATOM 1349 CE2 TYR B 40 31.967 -5.003 13.931 1.00 44.62 C ATOM 1350 CZ TYR B 40 31.252 -4.153 13.089 1.00 47.35 C ATOM 1351 OH TYR B 40 31.733 -2.890 12.792 1.00 50.60 O ATOM 1352 N ALA B 41 30.559 -8.786 10.573 1.00 28.98 N ATOM 1353 CA ALA B 41 30.352 -8.380 9.191 1.00 30.87 C ATOM 1354 C ALA B 41 31.470 -8.925 8.285 1.00 31.91 C ATOM 1355 O ALA B 41 32.653 -8.780 8.590 1.00 28.72 O ATOM 1356 CB ALA B 41 30.319 -6.869 9.117 1.00 20.32 C ATOM 1357 N LEU B 42 31.083 -9.550 7.171 1.00 39.75 N ATOM 1358 CA LEU B 42 32.028 -10.122 6.204 1.00 33.10 C ATOM 1359 C LEU B 42 31.750 -9.536 4.818 1.00 35.87 C ATOM 1360 O LEU B 42 30.747 -9.856 4.181 1.00 39.40 O ATOM 1361 CB LEU B 42 31.865 -11.642 6.132 1.00 32.08 C ATOM 1362 CG LEU B 42 33.069 -12.569 5.905 1.00 33.44 C ATOM 1363 CD1 LEU B 42 32.541 -13.880 5.378 1.00 32.95 C ATOM 1364 CD2 LEU B 42 34.079 -11.995 4.935 1.00 29.75 C ATOM 1365 N LEU B 43 32.653 -8.681 4.357 1.00 35.18 N ATOM 1366 CA LEU B 43 32.528 -8.042 3.062 1.00 24.71 C ATOM 1367 C LEU B 43 33.278 -8.877 2.039 1.00 33.36 C ATOM 1368 O LEU B 43 34.435 -9.208 2.250 1.00 28.68 O ATOM 1369 CB LEU B 43 33.144 -6.652 3.126 1.00 35.39 C ATOM 1370 CG LEU B 43 33.177 -5.849 1.829 1.00 29.76 C ATOM 1371 CD1 LEU B 43 31.770 -5.541 1.408 1.00 19.92 C ATOM 1372 CD2 LEU B 43 33.975 -4.583 2.033 1.00 31.64 C HETATM 1373 N MSE B 44 32.622 -9.214 0.931 1.00 36.95 N HETATM 1374 CA MSE B 44 33.250 -10.017 -0.111 1.00 36.64 C HETATM 1375 C MSE B 44 32.808 -9.658 -1.502 1.00 37.79 C HETATM 1376 O MSE B 44 31.691 -9.210 -1.716 1.00 43.58 O HETATM 1377 CB MSE B 44 32.937 -11.496 0.069 1.00 34.47 C HETATM 1378 CG MSE B 44 33.471 -12.109 1.332 1.00 55.52 C HETATM 1379 SE MSE B 44 32.903 -13.932 1.464 1.00 65.89 HETATM 1380 CE MSE B 44 31.137 -13.670 2.222 1.00 63.54 C ATOM 1381 N ASP B 45 33.701 -9.894 -2.451 1.00 40.08 N ATOM 1382 CA ASP B 45 33.434 -9.665 -3.859 1.00 41.16 C ATOM 1383 C ASP B 45 33.407 -11.073 -4.448 1.00 38.57 C ATOM 1384 O ASP B 45 34.448 -11.708 -4.536 1.00 43.35 O ATOM 1385 CB ASP B 45 34.569 -8.870 -4.483 1.00 43.76 C ATOM 1386 CG ASP B 45 34.443 -8.769 -5.982 1.00 49.03 C ATOM 1387 OD1 ASP B 45 33.425 -8.200 -6.450 1.00 43.63 O ATOM 1388 OD2 ASP B 45 35.363 -9.253 -6.684 1.00 39.09 O ATOM 1389 N ILE B 46 32.235 -11.559 -4.846 1.00 33.82 N ATOM 1390 CA ILE B 46 32.127 -12.913 -5.370 1.00 32.93 C ATOM 1391 C ILE B 46 31.392 -13.056 -6.695 1.00 37.82 C ATOM 1392 O ILE B 46 30.685 -12.156 -7.135 1.00 39.53 O ATOM 1393 CB ILE B 46 31.410 -13.845 -4.363 1.00 30.12 C ATOM 1394 CG1 ILE B 46 29.979 -13.358 -4.125 1.00 25.04 C ATOM 1395 CG2 ILE B 46 32.186 -13.884 -3.055 1.00 36.74 C ATOM 1396 CD1 ILE B 46 29.076 -14.332 -3.402 1.00 31.71 C ATOM 1397 N PRO B 47 31.562 -14.210 -7.359 1.00 41.20 N ATOM 1398 CA PRO B 47 30.890 -14.460 -8.636 1.00 38.55 C ATOM 1399 C PRO B 47 29.382 -14.578 -8.370 1.00 41.89 C ATOM 1400 O PRO B 47 28.958 -15.340 -7.506 1.00 49.27 O ATOM 1401 CB PRO B 47 31.500 -15.788 -9.087 1.00 41.41 C ATOM 1402 CG PRO B 47 32.875 -15.767 -8.465 1.00 30.52 C ATOM 1403 CD PRO B 47 32.575 -15.253 -7.091 1.00 40.71 C ATOM 1404 N ALA B 48 28.574 -13.826 -9.102 1.00 43.80 N ATOM 1405 CA ALA B 48 27.135 -13.866 -8.903 1.00 45.59 C ATOM 1406 C ALA B 48 26.591 -15.295 -8.737 1.00 51.74 C ATOM 1407 O ALA B 48 25.733 -15.545 -7.878 1.00 54.81 O ATOM 1408 CB ALA B 48 26.431 -13.163 -10.062 1.00 45.81 C ATOM 1409 N GLU B 49 27.102 -16.224 -9.549 1.00 56.66 N ATOM 1410 CA GLU B 49 26.670 -17.631 -9.529 1.00 57.98 C ATOM 1411 C GLU B 49 26.708 -18.292 -8.129 1.00 57.28 C ATOM 1412 O GLU B 49 25.740 -18.951 -7.737 1.00 57.91 O ATOM 1413 CB GLU B 49 27.514 -18.459 -10.524 1.00 58.17 C ATOM 1414 CG GLU B 49 29.000 -18.583 -10.135 1.00 74.69 C ATOM 1415 CD GLU B 49 29.653 -19.899 -10.601 1.00 78.37 C ATOM 1416 OE1 GLU B 49 29.042 -20.987 -10.369 1.00 72.87 O ATOM 1417 OE2 GLU B 49 30.795 -19.847 -11.163 1.00 76.53 O ATOM 1418 N LYS B 50 27.806 -18.114 -7.391 1.00 46.65 N ATOM 1419 CA LYS B 50 27.958 -18.678 -6.043 1.00 45.94 C ATOM 1420 C LYS B 50 26.745 -18.500 -5.090 1.00 48.86 C ATOM 1421 O LYS B 50 26.636 -19.219 -4.084 1.00 39.43 O ATOM 1422 CB LYS B 50 29.202 -18.093 -5.365 1.00 48.15 C ATOM 1423 CG LYS B 50 30.536 -18.601 -5.898 1.00 56.90 C ATOM 1424 CD LYS B 50 30.847 -20.010 -5.365 1.00 61.78 C ATOM 1425 CE LYS B 50 32.205 -20.562 -5.859 1.00 58.72 C ATOM 1426 NZ LYS B 50 32.175 -20.914 -7.317 1.00 56.46 N ATOM 1427 N ILE B 51 25.858 -17.537 -5.368 1.00 53.73 N ATOM 1428 CA ILE B 51 24.674 -17.332 -4.516 1.00 52.78 C ATOM 1429 C ILE B 51 23.368 -17.391 -5.297 1.00 55.06 C ATOM 1430 O ILE B 51 22.368 -16.774 -4.908 1.00 59.99 O ATOM 1431 CB ILE B 51 24.677 -15.967 -3.714 1.00 50.70 C ATOM 1432 CG1 ILE B 51 24.671 -14.767 -4.674 1.00 48.56 C ATOM 1433 CG2 ILE B 51 25.840 -15.943 -2.733 1.00 45.05 C ATOM 1434 CD1 ILE B 51 24.396 -13.451 -3.975 1.00 40.01 C ATOM 1435 N GLY B 52 23.384 -18.125 -6.405 1.00 54.62 N ATOM 1436 CA GLY B 52 22.177 -18.287 -7.194 1.00 56.15 C ATOM 1437 C GLY B 52 21.848 -17.259 -8.260 1.00 53.26 C ATOM 1438 O GLY B 52 21.163 -17.582 -9.243 1.00 51.27 O ATOM 1439 N ILE B 53 22.288 -16.019 -8.087 1.00 55.28 N ATOM 1440 CA ILE B 53 21.991 -15.059 -9.130 1.00 55.40 C ATOM 1441 C ILE B 53 22.868 -15.415 -10.341 1.00 58.45 C ATOM 1442 O ILE B 53 24.061 -15.710 -10.206 1.00 58.63 O ATOM 1443 CB ILE B 53 22.210 -13.592 -8.655 1.00 47.67 C ATOM 1444 CG1 ILE B 53 22.047 -12.649 -9.847 1.00 51.88 C ATOM 1445 CG2 ILE B 53 23.521 -13.472 -7.905 1.00 49.08 C ATOM 1446 CD1 ILE B 53 20.618 -12.640 -10.475 1.00 50.36 C ATOM 1447 N ASN B 54 22.234 -15.439 -11.513 1.00 67.52 N ATOM 1448 CA ASN B 54 22.875 -15.793 -12.788 1.00 73.18 C ATOM 1449 C ASN B 54 23.730 -14.665 -13.403 1.00 75.09 C ATOM 1450 O ASN B 54 24.208 -13.781 -12.677 1.00 79.57 O ATOM 1451 CB ASN B 54 21.797 -16.247 -13.786 1.00 70.96 C ATOM 1452 CG ASN B 54 20.574 -15.321 -13.781 1.00 83.44 C ATOM 1453 OD1 ASN B 54 20.705 -14.083 -13.955 1.00 88.38 O ATOM 1454 ND2 ASN B 54 19.379 -15.904 -13.583 1.00 77.20 N ATOM 1455 N GLY B 55 23.924 -14.688 -14.727 1.00 71.49 N ATOM 1456 CA GLY B 55 24.753 -13.672 -15.378 1.00 68.43 C ATOM 1457 C GLY B 55 26.224 -13.868 -15.024 1.00 67.21 C ATOM 1458 O GLY B 55 26.550 -14.036 -13.844 1.00 68.07 O ATOM 1459 N ASP B 56 27.118 -13.870 -16.018 1.00 66.36 N ATOM 1460 CA ASP B 56 28.560 -14.078 -15.749 1.00 65.15 C ATOM 1461 C ASP B 56 29.146 -12.760 -15.227 1.00 61.63 C ATOM 1462 O ASP B 56 29.973 -12.102 -15.878 1.00 63.46 O ATOM 1463 CB ASP B 56 29.302 -14.529 -17.028 1.00 70.14 C ATOM 1464 CG ASP B 56 30.740 -15.005 -16.747 1.00 77.88 C ATOM 1465 OD1 ASP B 56 31.389 -15.550 -17.683 1.00 81.92 O ATOM 1466 OD2 ASP B 56 31.227 -14.828 -15.591 1.00 77.26 O ATOM 1467 N LYS B 57 28.702 -12.394 -14.032 1.00 53.06 N ATOM 1468 CA LYS B 57 29.111 -11.158 -13.413 1.00 47.44 C ATOM 1469 C LYS B 57 29.504 -11.358 -11.962 1.00 43.42 C ATOM 1470 O LYS B 57 29.139 -12.366 -11.364 1.00 42.75 O ATOM 1471 CB LYS B 57 27.951 -10.187 -13.459 1.00 41.85 C ATOM 1472 CG LYS B 57 26.783 -10.670 -12.659 1.00 42.19 C ATOM 1473 CD LYS B 57 25.900 -9.495 -12.274 1.00 54.01 C ATOM 1474 CE LYS B 57 24.723 -9.967 -11.419 1.00 57.63 C ATOM 1475 NZ LYS B 57 23.934 -8.837 -10.813 1.00 61.11 N ATOM 1476 N ARG B 58 30.240 -10.401 -11.390 1.00 41.45 N ATOM 1477 CA ARG B 58 30.626 -10.482 -9.972 1.00 37.83 C ATOM 1478 C ARG B 58 29.613 -9.622 -9.177 1.00 35.19 C ATOM 1479 O ARG B 58 28.875 -8.814 -9.758 1.00 26.35 O ATOM 1480 CB ARG B 58 32.035 -9.898 -9.722 1.00 43.08 C ATOM 1481 CG ARG B 58 33.111 -10.080 -10.812 1.00 36.21 C ATOM 1482 CD ARG B 58 34.021 -11.248 -10.517 1.00 27.81 C ATOM 1483 NE ARG B 58 34.361 -11.290 -9.101 1.00 41.03 N ATOM 1484 CZ ARG B 58 35.071 -12.257 -8.521 1.00 39.86 C ATOM 1485 NH1 ARG B 58 35.530 -13.271 -9.234 1.00 33.77 N ATOM 1486 NH2 ARG B 58 35.314 -12.233 -7.219 1.00 37.64 N ATOM 1487 N VAL B 59 29.599 -9.800 -7.853 1.00 33.76 N ATOM 1488 CA VAL B 59 28.733 -9.045 -6.932 1.00 33.87 C ATOM 1489 C VAL B 59 29.436 -8.767 -5.582 1.00 36.19 C ATOM 1490 O VAL B 59 30.306 -9.517 -5.160 1.00 31.20 O ATOM 1491 CB VAL B 59 27.410 -9.795 -6.617 1.00 26.88 C ATOM 1492 CG1 VAL B 59 26.519 -9.849 -7.844 1.00 34.74 C ATOM 1493 CG2 VAL B 59 27.708 -11.193 -6.120 1.00 26.93 C ATOM 1494 N ASP B 60 29.080 -7.675 -4.915 1.00 38.70 N ATOM 1495 CA ASP B 60 29.663 -7.372 -3.615 1.00 40.23 C ATOM 1496 C ASP B 60 28.573 -7.645 -2.593 1.00 40.86 C ATOM 1497 O ASP B 60 27.479 -7.088 -2.674 1.00 39.39 O ATOM 1498 CB ASP B 60 30.115 -5.913 -3.526 1.00 46.02 C ATOM 1499 CG ASP B 60 31.569 -5.738 -3.914 1.00 59.09 C ATOM 1500 OD1 ASP B 60 32.121 -6.658 -4.564 1.00 60.20 O ATOM 1501 OD2 ASP B 60 32.158 -4.681 -3.582 1.00 62.66 O ATOM 1502 N VAL B 61 28.878 -8.509 -1.634 1.00 32.23 N ATOM 1503 CA VAL B 61 27.928 -8.894 -0.601 1.00 27.92 C ATOM 1504 C VAL B 61 28.533 -8.773 0.808 1.00 29.46 C ATOM 1505 O VAL B 61 29.752 -8.755 0.986 1.00 30.45 O ATOM 1506 CB VAL B 61 27.453 -10.372 -0.842 1.00 30.50 C ATOM 1507 CG1 VAL B 61 27.053 -10.549 -2.303 1.00 38.97 C ATOM 1508 CG2 VAL B 61 28.556 -11.378 -0.509 1.00 19.70 C ATOM 1509 N ILE B 62 27.677 -8.648 1.812 1.00 26.48 N ATOM 1510 CA ILE B 62 28.160 -8.601 3.182 1.00 30.98 C ATOM 1511 C ILE B 62 27.418 -9.670 3.952 1.00 27.44 C ATOM 1512 O ILE B 62 26.226 -9.889 3.744 1.00 24.04 O ATOM 1513 CB ILE B 62 27.907 -7.265 3.891 1.00 29.94 C ATOM 1514 CG1 ILE B 62 26.446 -6.876 3.740 1.00 28.21 C ATOM 1515 CG2 ILE B 62 28.889 -6.217 3.389 1.00 38.54 C ATOM 1516 CD1 ILE B 62 26.024 -5.756 4.654 1.00 37.10 C ATOM 1517 N ASP B 63 28.139 -10.345 4.837 1.00 28.52 N ATOM 1518 CA ASP B 63 27.556 -11.380 5.656 1.00 34.83 C ATOM 1519 C ASP B 63 27.366 -10.818 7.037 1.00 33.77 C ATOM 1520 O ASP B 63 28.278 -10.213 7.603 1.00 39.18 O ATOM 1521 CB ASP B 63 28.455 -12.602 5.668 1.00 42.65 C ATOM 1522 CG ASP B 63 28.161 -13.533 4.510 1.00 45.42 C ATOM 1523 OD1 ASP B 63 27.752 -13.043 3.438 1.00 48.91 O ATOM 1524 OD2 ASP B 63 28.347 -14.752 4.658 1.00 57.72 O ATOM 1525 N LEU B 64 26.160 -11.016 7.556 1.00 26.21 N ATOM 1526 CA LEU B 64 25.757 -10.519 8.864 1.00 35.63 C ATOM 1527 C LEU B 64 25.188 -11.649 9.716 1.00 32.67 C ATOM 1528 O LEU B 64 24.611 -12.592 9.188 1.00 40.96 O ATOM 1529 CB LEU B 64 24.712 -9.410 8.662 1.00 35.61 C ATOM 1530 CG LEU B 64 25.164 -7.941 8.569 1.00 40.88 C ATOM 1531 CD1 LEU B 64 26.453 -7.799 7.798 1.00 32.96 C ATOM 1532 CD2 LEU B 64 24.063 -7.125 7.926 1.00 38.98 C ATOM 1533 N LYS B 65 25.347 -11.562 11.032 1.00 37.16 N ATOM 1534 CA LYS B 65 24.830 -12.606 11.917 1.00 37.04 C ATOM 1535 C LYS B 65 23.434 -12.241 12.399 1.00 36.94 C ATOM 1536 O LYS B 65 23.160 -11.092 12.743 1.00 40.00 O ATOM 1537 CB LYS B 65 25.757 -12.774 13.112 1.00 45.86 C ATOM 1538 CG LYS B 65 25.511 -14.002 13.979 1.00 50.46 C ATOM 1539 CD LYS B 65 26.474 -13.979 15.179 1.00 57.66 C ATOM 1540 CE LYS B 65 27.160 -15.319 15.420 1.00 56.36 C ATOM 1541 NZ LYS B 65 26.205 -16.444 15.597 1.00 54.18 N ATOM 1542 N VAL B 66 22.543 -13.220 12.417 1.00 31.52 N ATOM 1543 CA VAL B 66 21.188 -12.964 12.861 1.00 25.57 C ATOM 1544 C VAL B 66 20.740 -14.090 13.764 1.00 33.05 C ATOM 1545 O VAL B 66 21.455 -15.068 13.955 1.00 41.64 O ATOM 1546 CB VAL B 66 20.208 -12.842 11.670 1.00 32.88 C ATOM 1547 CG1 VAL B 66 20.691 -11.764 10.701 1.00 45.41 C ATOM 1548 CG2 VAL B 66 20.081 -14.155 10.954 1.00 36.75 C ATOM 1549 N GLN B 67 19.566 -13.936 14.351 1.00 38.94 N ATOM 1550 CA GLN B 67 19.028 -14.962 15.219 1.00 40.01 C ATOM 1551 C GLN B 67 18.448 -16.064 14.344 1.00 41.40 C ATOM 1552 O GLN B 67 17.670 -15.809 13.427 1.00 35.49 O ATOM 1553 CB GLN B 67 17.955 -14.368 16.122 1.00 49.88 C ATOM 1554 CG GLN B 67 18.491 -13.361 17.111 1.00 53.64 C ATOM 1555 CD GLN B 67 17.653 -12.102 17.158 1.00 66.21 C ATOM 1556 OE1 GLN B 67 16.490 -12.125 17.566 1.00 61.38 O ATOM 1557 NE2 GLN B 67 18.238 -10.990 16.719 1.00 73.49 N ATOM 1558 N PRO B 68 18.816 -17.318 14.628 1.00 44.18 N ATOM 1559 CA PRO B 68 18.351 -18.480 13.875 1.00 39.60 C ATOM 1560 C PRO B 68 16.856 -18.523 13.517 1.00 42.58 C ATOM 1561 O PRO B 68 16.488 -19.094 12.497 1.00 46.47 O ATOM 1562 CB PRO B 68 18.799 -19.652 14.752 1.00 39.39 C ATOM 1563 CG PRO B 68 18.807 -19.062 16.128 1.00 36.56 C ATOM 1564 CD PRO B 68 19.453 -17.737 15.889 1.00 40.42 C ATOM 1565 N GLU B 69 15.988 -17.926 14.329 1.00 47.25 N ATOM 1566 CA GLU B 69 14.562 -17.947 13.997 1.00 47.97 C ATOM 1567 C GLU B 69 14.180 -16.878 12.964 1.00 48.99 C ATOM 1568 O GLU B 69 13.029 -16.812 12.528 1.00 50.96 O ATOM 1569 CB GLU B 69 13.692 -17.788 15.254 1.00 46.40 C ATOM 1570 CG GLU B 69 13.620 -16.386 15.872 1.00 43.60 C ATOM 1571 CD GLU B 69 14.659 -16.146 16.955 1.00 54.00 C ATOM 1572 OE1 GLU B 69 14.512 -15.146 17.692 1.00 49.35 O ATOM 1573 OE2 GLU B 69 15.618 -16.944 17.069 1.00 52.54 O ATOM 1574 N LEU B 70 15.146 -16.048 12.570 1.00 51.66 N ATOM 1575 CA LEU B 70 14.895 -15.000 11.579 1.00 50.71 C ATOM 1576 C LEU B 70 15.524 -15.293 10.216 1.00 47.75 C ATOM 1577 O LEU B 70 15.193 -14.649 9.226 1.00 47.08 O ATOM 1578 CB LEU B 70 15.405 -13.656 12.090 1.00 41.25 C ATOM 1579 CG LEU B 70 14.669 -13.137 13.319 1.00 47.58 C ATOM 1580 CD1 LEU B 70 15.363 -11.898 13.846 1.00 38.28 C ATOM 1581 CD2 LEU B 70 13.217 -12.842 12.968 1.00 32.99 C ATOM 1582 N VAL B 71 16.424 -16.267 10.166 1.00 48.63 N ATOM 1583 CA VAL B 71 17.087 -16.608 8.913 1.00 46.93 C ATOM 1584 C VAL B 71 16.101 -17.028 7.836 1.00 46.78 C ATOM 1585 O VAL B 71 16.255 -16.664 6.668 1.00 47.32 O ATOM 1586 CB VAL B 71 18.111 -17.730 9.111 1.00 40.51 C ATOM 1587 CG1 VAL B 71 18.754 -18.087 7.798 1.00 33.76 C ATOM 1588 CG2 VAL B 71 19.167 -17.284 10.090 1.00 38.55 C ATOM 1589 N GLY B 72 15.089 -17.795 8.233 1.00 47.15 N ATOM 1590 CA GLY B 72 14.094 -18.257 7.282 1.00 46.48 C ATOM 1591 C GLY B 72 13.292 -17.128 6.655 1.00 49.62 C ATOM 1592 O GLY B 72 13.105 -17.101 5.436 1.00 50.70 O ATOM 1593 N SER B 73 12.825 -16.198 7.490 1.00 48.08 N ATOM 1594 CA SER B 73 12.030 -15.047 7.049 1.00 46.35 C ATOM 1595 C SER B 73 12.844 -13.991 6.290 1.00 43.41 C ATOM 1596 O SER B 73 12.394 -13.444 5.278 1.00 42.63 O ATOM 1597 CB SER B 73 11.335 -14.410 8.257 1.00 34.54 C ATOM 1598 OG SER B 73 12.263 -14.168 9.288 1.00 60.68 O ATOM 1599 N LEU B 74 14.039 -13.698 6.782 1.00 44.40 N ATOM 1600 CA LEU B 74 14.897 -12.726 6.122 1.00 43.60 C ATOM 1601 C LEU B 74 15.220 -13.198 4.708 1.00 44.51 C ATOM 1602 O LEU B 74 15.021 -12.458 3.752 1.00 47.24 O ATOM 1603 CB LEU B 74 16.193 -12.542 6.907 1.00 39.20 C ATOM 1604 CG LEU B 74 16.363 -11.227 7.666 1.00 43.09 C ATOM 1605 CD1 LEU B 74 15.135 -10.969 8.508 1.00 49.87 C ATOM 1606 CD2 LEU B 74 17.618 -11.285 8.534 1.00 48.30 C ATOM 1607 N ARG B 75 15.708 -14.431 4.580 1.00 41.44 N ATOM 1608 CA ARG B 75 16.064 -14.991 3.275 1.00 41.32 C ATOM 1609 C ARG B 75 14.960 -14.891 2.227 1.00 44.72 C ATOM 1610 O ARG B 75 15.222 -15.019 1.036 1.00 49.58 O ATOM 1611 CB ARG B 75 16.480 -16.462 3.424 1.00 39.26 C ATOM 1612 CG ARG B 75 17.887 -16.657 3.946 1.00 37.43 C ATOM 1613 CD ARG B 75 18.182 -18.107 4.296 1.00 43.51 C ATOM 1614 NE ARG B 75 18.070 -19.021 3.165 1.00 51.98 N ATOM 1615 CZ ARG B 75 18.358 -20.318 3.234 1.00 60.05 C ATOM 1616 NH1 ARG B 75 18.778 -20.853 4.377 1.00 58.55 N ATOM 1617 NH2 ARG B 75 18.215 -21.083 2.164 1.00 71.09 N ATOM 1618 N LYS B 76 13.731 -14.670 2.683 1.00 47.92 N ATOM 1619 CA LYS B 76 12.577 -14.559 1.805 1.00 50.78 C ATOM 1620 C LYS B 76 12.524 -13.175 1.171 1.00 52.26 C ATOM 1621 O LYS B 76 11.860 -12.970 0.151 1.00 46.33 O ATOM 1622 CB LYS B 76 11.281 -14.835 2.589 1.00 54.57 C ATOM 1623 CG LYS B 76 10.722 -16.257 2.418 1.00 59.38 C ATOM 1624 CD LYS B 76 9.836 -16.695 3.592 1.00 67.01 C ATOM 1625 CE LYS B 76 8.652 -15.733 3.860 1.00 70.61 C ATOM 1626 NZ LYS B 76 8.032 -15.957 5.242 1.00 70.52 N ATOM 1627 N LYS B 77 13.208 -12.215 1.778 1.00 57.84 N ATOM 1628 CA LYS B 77 13.213 -10.873 1.217 1.00 58.79 C ATOM 1629 C LYS B 77 14.092 -10.847 -0.019 1.00 60.70 C ATOM 1630 O LYS B 77 14.947 -11.722 -0.221 1.00 49.68 O ATOM 1631 CB LYS B 77 13.736 -9.838 2.226 1.00 57.05 C ATOM 1632 CG LYS B 77 12.740 -9.477 3.288 1.00 59.59 C ATOM 1633 CD LYS B 77 13.203 -8.304 4.109 1.00 58.88 C ATOM 1634 CE LYS B 77 12.133 -7.934 5.119 1.00 63.69 C ATOM 1635 NZ LYS B 77 12.524 -6.729 5.898 1.00 70.91 N ATOM 1636 N PRO B 78 13.853 -9.861 -0.893 1.00 64.06 N ATOM 1637 CA PRO B 78 14.648 -9.732 -2.109 1.00 61.65 C ATOM 1638 C PRO B 78 15.958 -9.052 -1.750 1.00 58.32 C ATOM 1639 O PRO B 78 15.973 -8.030 -1.053 1.00 54.27 O ATOM 1640 CB PRO B 78 13.753 -8.887 -3.016 1.00 64.25 C ATOM 1641 CG PRO B 78 12.987 -8.045 -2.043 1.00 63.07 C ATOM 1642 CD PRO B 78 12.632 -9.038 -0.976 1.00 64.83 C ATOM 1643 N GLY B 79 17.056 -9.644 -2.207 1.00 58.53 N ATOM 1644 CA GLY B 79 18.369 -9.087 -1.928 1.00 60.97 C ATOM 1645 C GLY B 79 19.125 -9.812 -0.828 1.00 54.13 C ATOM 1646 O GLY B 79 20.323 -9.599 -0.640 1.00 51.54 O ATOM 1647 N ILE B 80 18.414 -10.661 -0.096 1.00 53.41 N ATOM 1648 CA ILE B 80 18.991 -11.439 0.993 1.00 44.20 C ATOM 1649 C ILE B 80 19.021 -12.891 0.539 1.00 48.44 C ATOM 1650 O ILE B 80 18.004 -13.431 0.099 1.00 47.42 O ATOM 1651 CB ILE B 80 18.140 -11.304 2.266 1.00 39.27 C ATOM 1652 CG1 ILE B 80 18.139 -9.835 2.711 1.00 35.82 C ATOM 1653 CG2 ILE B 80 18.693 -12.184 3.370 1.00 39.07 C ATOM 1654 CD1 ILE B 80 17.112 -9.489 3.767 1.00 28.10 C ATOM 1655 N TYR B 81 20.200 -13.503 0.635 1.00 42.08 N ATOM 1656 CA TYR B 81 20.406 -14.882 0.225 1.00 36.52 C ATOM 1657 C TYR B 81 20.979 -15.684 1.393 1.00 42.87 C ATOM 1658 O TYR B 81 21.252 -15.130 2.456 1.00 40.43 O ATOM 1659 CB TYR B 81 21.378 -14.932 -0.971 1.00 33.20 C ATOM 1660 CG TYR B 81 20.955 -14.097 -2.161 1.00 38.86 C ATOM 1661 CD1 TYR B 81 20.998 -12.703 -2.112 1.00 46.03 C ATOM 1662 CD2 TYR B 81 20.449 -14.698 -3.312 1.00 42.39 C ATOM 1663 CE1 TYR B 81 20.532 -11.927 -3.181 1.00 43.33 C ATOM 1664 CE2 TYR B 81 19.986 -13.927 -4.387 1.00 41.86 C ATOM 1665 CZ TYR B 81 20.022 -12.549 -4.314 1.00 40.94 C ATOM 1666 OH TYR B 81 19.517 -11.779 -5.344 1.00 31.72 O ATOM 1667 N PRO B 82 21.129 -17.014 1.217 1.00 50.06 N ATOM 1668 CA PRO B 82 21.679 -17.909 2.245 1.00 49.19 C ATOM 1669 C PRO B 82 23.153 -17.570 2.503 1.00 48.24 C ATOM 1670 O PRO B 82 23.873 -17.198 1.582 1.00 48.95 O ATOM 1671 CB PRO B 82 21.514 -19.292 1.618 1.00 46.28 C ATOM 1672 CG PRO B 82 20.271 -19.134 0.809 1.00 47.41 C ATOM 1673 CD PRO B 82 20.505 -17.806 0.138 1.00 49.50 C ATOM 1674 N ALA B 83 23.597 -17.711 3.745 1.00 41.94 N ATOM 1675 CA ALA B 83 24.973 -17.388 4.081 1.00 40.43 C ATOM 1676 C ALA B 83 25.984 -18.062 3.173 1.00 43.95 C ATOM 1677 O ALA B 83 25.929 -19.267 2.954 1.00 48.53 O ATOM 1678 CB ALA B 83 25.257 -17.750 5.516 1.00 38.34 C ATOM 1679 N TYR B 84 26.914 -17.271 2.652 1.00 40.42 N ATOM 1680 CA TYR B 84 27.962 -17.781 1.788 1.00 38.28 C ATOM 1681 C TYR B 84 29.264 -17.795 2.579 1.00 42.03 C ATOM 1682 O TYR B 84 29.663 -16.772 3.123 1.00 37.73 O ATOM 1683 CB TYR B 84 28.118 -16.885 0.569 1.00 44.90 C ATOM 1684 CG TYR B 84 29.219 -17.330 -0.357 1.00 50.48 C ATOM 1685 CD1 TYR B 84 29.068 -18.472 -1.151 1.00 49.41 C ATOM 1686 CD2 TYR B 84 30.424 -16.625 -0.433 1.00 48.64 C ATOM 1687 CE1 TYR B 84 30.083 -18.896 -1.991 1.00 51.74 C ATOM 1688 CE2 TYR B 84 31.448 -17.042 -1.268 1.00 52.95 C ATOM 1689 CZ TYR B 84 31.272 -18.177 -2.043 1.00 59.94 C ATOM 1690 OH TYR B 84 32.294 -18.601 -2.855 1.00 70.30 O ATOM 1691 N HIS B 85 29.922 -18.952 2.615 1.00 43.44 N ATOM 1692 CA HIS B 85 31.181 -19.153 3.350 1.00 46.41 C ATOM 1693 C HIS B 85 31.028 -19.027 4.865 1.00 47.83 C ATOM 1694 O HIS B 85 32.021 -18.968 5.587 1.00 53.85 O ATOM 1695 CB HIS B 85 32.280 -18.180 2.890 1.00 58.65 C ATOM 1696 CG HIS B 85 33.099 -18.673 1.734 1.00 74.07 C ATOM 1697 ND1 HIS B 85 34.333 -18.141 1.424 1.00 74.20 N ATOM 1698 CD2 HIS B 85 32.835 -19.594 0.779 1.00 75.36 C ATOM 1699 CE1 HIS B 85 34.792 -18.709 0.322 1.00 80.31 C ATOM 1700 NE2 HIS B 85 33.902 -19.594 -0.089 1.00 83.25 N HETATM 1701 N MSE B 86 29.789 -18.976 5.342 1.00 40.57 N HETATM 1702 CA MSE B 86 29.538 -18.889 6.772 1.00 41.81 C HETATM 1703 C MSE B 86 28.438 -19.878 7.095 1.00 41.25 C HETATM 1704 O MSE B 86 27.842 -20.462 6.188 1.00 49.98 O HETATM 1705 CB MSE B 86 29.108 -17.479 7.169 1.00 37.28 C HETATM 1706 CG MSE B 86 30.181 -16.427 6.947 1.00 44.94 C HETATM 1707 SE MSE B 86 31.690 -16.640 8.183 1.00 72.19 HETATM 1708 CE MSE B 86 31.167 -15.325 9.510 1.00 62.30 C ATOM 1709 N ASN B 87 28.172 -20.069 8.382 1.00 38.85 N ATOM 1710 CA ASN B 87 27.142 -21.000 8.824 1.00 38.05 C ATOM 1711 C ASN B 87 25.747 -20.514 8.427 1.00 42.03 C ATOM 1712 O ASN B 87 25.309 -19.438 8.833 1.00 44.08 O ATOM 1713 CB ASN B 87 27.230 -21.157 10.336 1.00 39.40 C ATOM 1714 CG ASN B 87 26.285 -22.198 10.862 1.00 32.84 C ATOM 1715 OD1 ASN B 87 25.071 -22.004 10.900 1.00 32.54 O ATOM 1716 ND2 ASN B 87 26.837 -23.323 11.271 1.00 45.37 N ATOM 1717 N LYS B 88 25.031 -21.326 7.657 1.00 42.56 N ATOM 1718 CA LYS B 88 23.719 -20.927 7.192 1.00 37.18 C ATOM 1719 C LYS B 88 22.597 -20.752 8.233 1.00 43.88 C ATOM 1720 O LYS B 88 21.634 -20.009 7.996 1.00 44.62 O ATOM 1721 CB LYS B 88 23.271 -21.881 6.088 1.00 32.13 C ATOM 1722 CG LYS B 88 24.323 -22.111 5.002 1.00 44.78 C ATOM 1723 CD LYS B 88 23.637 -22.240 3.628 1.00 50.68 C ATOM 1724 CE LYS B 88 24.443 -23.062 2.576 1.00 55.81 C ATOM 1725 NZ LYS B 88 24.473 -24.587 2.803 1.00 47.18 N ATOM 1726 N GLU B 89 22.701 -21.410 9.382 1.00 39.71 N ATOM 1727 CA GLU B 89 21.671 -21.285 10.412 1.00 37.32 C ATOM 1728 C GLU B 89 21.868 -20.045 11.284 1.00 39.78 C ATOM 1729 O GLU B 89 20.983 -19.676 12.052 1.00 38.91 O ATOM 1730 CB GLU B 89 21.663 -22.534 11.285 1.00 50.43 C ATOM 1731 CG GLU B 89 21.212 -23.778 10.556 1.00 58.39 C ATOM 1732 CD GLU B 89 21.495 -25.039 11.340 1.00 74.13 C ATOM 1733 OE1 GLU B 89 21.036 -25.141 12.501 1.00 71.55 O ATOM 1734 OE2 GLU B 89 22.189 -25.930 10.799 1.00 80.77 O ATOM 1735 N HIS B 90 23.018 -19.392 11.150 1.00 33.91 N ATOM 1736 CA HIS B 90 23.295 -18.200 11.937 1.00 31.41 C ATOM 1737 C HIS B 90 23.663 -16.970 11.121 1.00 32.59 C ATOM 1738 O HIS B 90 23.597 -15.845 11.632 1.00 34.73 O ATOM 1739 CB HIS B 90 24.406 -18.496 12.928 1.00 32.80 C ATOM 1740 CG HIS B 90 23.993 -19.423 14.017 1.00 38.27 C ATOM 1741 ND1 HIS B 90 23.297 -18.997 15.127 1.00 45.57 N ATOM 1742 CD2 HIS B 90 24.140 -20.760 14.152 1.00 36.95 C ATOM 1743 CE1 HIS B 90 23.038 -20.035 15.901 1.00 44.81 C ATOM 1744 NE2 HIS B 90 23.538 -21.115 15.333 1.00 44.35 N ATOM 1745 N TRP B 91 24.052 -17.177 9.865 1.00 26.21 N ATOM 1746 CA TRP B 91 24.434 -16.055 9.023 1.00 25.27 C ATOM 1747 C TRP B 91 23.524 -15.835 7.820 1.00 27.87 C ATOM 1748 O TRP B 91 22.764 -16.710 7.405 1.00 29.32 O ATOM 1749 CB TRP B 91 25.906 -16.171 8.580 1.00 24.58 C ATOM 1750 CG TRP B 91 26.882 -16.032 9.744 1.00 37.99 C ATOM 1751 CD1 TRP B 91 27.150 -16.970 10.711 1.00 35.78 C ATOM 1752 CD2 TRP B 91 27.636 -14.861 10.111 1.00 37.90 C ATOM 1753 NE1 TRP B 91 28.017 -16.455 11.653 1.00 41.34 N ATOM 1754 CE2 TRP B 91 28.330 -15.165 11.309 1.00 41.08 C ATOM 1755 CE3 TRP B 91 27.792 -13.588 9.546 1.00 36.71 C ATOM 1756 CZ2 TRP B 91 29.165 -14.236 11.948 1.00 43.62 C ATOM 1757 CZ3 TRP B 91 28.627 -12.665 10.184 1.00 41.76 C ATOM 1758 CH2 TRP B 91 29.299 -12.997 11.368 1.00 39.89 C ATOM 1759 N ILE B 92 23.620 -14.625 7.287 1.00 30.69 N ATOM 1760 CA ILE B 92 22.835 -14.144 6.165 1.00 21.83 C ATOM 1761 C ILE B 92 23.771 -13.415 5.220 1.00 24.66 C ATOM 1762 O ILE B 92 24.740 -12.807 5.659 1.00 26.83 O ATOM 1763 CB ILE B 92 21.769 -13.175 6.707 1.00 31.22 C ATOM 1764 CG1 ILE B 92 20.583 -13.986 7.166 1.00 36.41 C ATOM 1765 CG2 ILE B 92 21.323 -12.179 5.676 1.00 31.41 C ATOM 1766 CD1 ILE B 92 20.028 -14.793 6.049 1.00 54.69 C ATOM 1767 N THR B 93 23.497 -13.488 3.923 1.00 27.74 N ATOM 1768 CA THR B 93 24.324 -12.788 2.943 1.00 35.94 C ATOM 1769 C THR B 93 23.460 -11.720 2.286 1.00 35.10 C ATOM 1770 O THR B 93 22.466 -12.043 1.644 1.00 33.98 O ATOM 1771 CB THR B 93 24.855 -13.741 1.852 1.00 31.37 C ATOM 1772 OG1 THR B 93 25.793 -14.651 2.431 1.00 35.31 O ATOM 1773 CG2 THR B 93 25.538 -12.955 0.736 1.00 27.55 C ATOM 1774 N VAL B 94 23.818 -10.451 2.464 1.00 35.37 N ATOM 1775 CA VAL B 94 23.043 -9.368 1.870 1.00 26.54 C ATOM 1776 C VAL B 94 23.788 -8.851 0.660 1.00 26.17 C ATOM 1777 O VAL B 94 24.990 -8.582 0.706 1.00 30.29 O ATOM 1778 CB VAL B 94 22.774 -8.198 2.865 1.00 28.60 C ATOM 1779 CG1 VAL B 94 21.929 -7.122 2.201 1.00 19.70 C ATOM 1780 CG2 VAL B 94 22.042 -8.707 4.090 1.00 28.92 C ATOM 1781 N LEU B 95 23.059 -8.727 -0.436 1.00 31.15 N ATOM 1782 CA LEU B 95 23.644 -8.269 -1.679 1.00 35.55 C ATOM 1783 C LEU B 95 23.724 -6.740 -1.734 1.00 35.19 C ATOM 1784 O LEU B 95 22.706 -6.069 -1.629 1.00 37.51 O ATOM 1785 CB LEU B 95 22.823 -8.837 -2.836 1.00 27.35 C ATOM 1786 CG LEU B 95 23.243 -8.557 -4.266 1.00 32.28 C ATOM 1787 CD1 LEU B 95 22.643 -7.253 -4.712 1.00 35.36 C ATOM 1788 CD2 LEU B 95 24.757 -8.568 -4.377 1.00 36.72 C ATOM 1789 N LEU B 96 24.944 -6.213 -1.867 1.00 31.24 N ATOM 1790 CA LEU B 96 25.177 -4.772 -1.952 1.00 33.40 C ATOM 1791 C LEU B 96 24.921 -4.316 -3.372 1.00 35.97 C ATOM 1792 O LEU B 96 25.139 -5.073 -4.311 1.00 34.99 O ATOM 1793 CB LEU B 96 26.615 -4.391 -1.581 1.00 36.97 C ATOM 1794 CG LEU B 96 27.099 -4.589 -0.145 1.00 35.52 C ATOM 1795 CD1 LEU B 96 28.484 -3.992 0.032 1.00 31.41 C ATOM 1796 CD2 LEU B 96 26.127 -3.933 0.801 1.00 34.55 C ATOM 1797 N ASN B 97 24.514 -3.056 -3.518 1.00 44.11 N ATOM 1798 CA ASN B 97 24.161 -2.473 -4.816 1.00 46.36 C ATOM 1799 C ASN B 97 22.931 -3.272 -5.240 1.00 47.44 C ATOM 1800 O ASN B 97 22.708 -3.528 -6.426 1.00 34.32 O ATOM 1801 CB ASN B 97 25.288 -2.640 -5.853 1.00 45.26 C ATOM 1802 CG ASN B 97 26.597 -2.003 -5.413 1.00 50.07 C ATOM 1803 OD1 ASN B 97 27.403 -2.627 -4.726 1.00 54.52 O ATOM 1804 ND2 ASN B 97 26.814 -0.757 -5.808 1.00 45.55 N ATOM 1805 N GLY B 98 22.142 -3.658 -4.234 1.00 48.54 N ATOM 1806 CA GLY B 98 20.944 -4.448 -4.462 1.00 47.72 C ATOM 1807 C GLY B 98 19.650 -3.816 -3.987 1.00 49.23 C ATOM 1808 O GLY B 98 19.640 -2.664 -3.553 1.00 53.56 O ATOM 1809 N PRO B 99 18.533 -4.556 -4.057 1.00 53.26 N ATOM 1810 CA PRO B 99 17.201 -4.091 -3.642 1.00 53.09 C ATOM 1811 C PRO B 99 16.969 -3.812 -2.158 1.00 46.90 C ATOM 1812 O PRO B 99 15.956 -3.219 -1.790 1.00 43.17 O ATOM 1813 CB PRO B 99 16.283 -5.206 -4.139 1.00 54.35 C ATOM 1814 CG PRO B 99 17.137 -6.424 -3.981 1.00 55.78 C ATOM 1815 CD PRO B 99 18.445 -5.930 -4.592 1.00 55.39 C ATOM 1816 N LEU B 100 17.886 -4.251 -1.309 1.00 47.25 N ATOM 1817 CA LEU B 100 17.724 -4.048 0.124 1.00 46.10 C ATOM 1818 C LEU B 100 18.067 -2.600 0.482 1.00 46.29 C ATOM 1819 O LEU B 100 19.080 -2.046 0.029 1.00 39.65 O ATOM 1820 CB LEU B 100 18.606 -5.049 0.882 1.00 48.76 C ATOM 1821 CG LEU B 100 18.115 -5.665 2.209 1.00 51.66 C ATOM 1822 CD1 LEU B 100 18.448 -4.734 3.364 1.00 54.75 C ATOM 1823 CD2 LEU B 100 16.598 -5.950 2.160 1.00 46.50 C ATOM 1824 N GLY B 101 17.203 -1.980 1.280 1.00 45.31 N ATOM 1825 CA GLY B 101 17.420 -0.595 1.648 1.00 52.25 C ATOM 1826 C GLY B 101 18.521 -0.342 2.658 1.00 55.21 C ATOM 1827 O GLY B 101 18.696 -1.113 3.614 1.00 58.17 O ATOM 1828 N ALA B 102 19.264 0.745 2.444 1.00 56.27 N ATOM 1829 CA ALA B 102 20.349 1.126 3.358 1.00 60.59 C ATOM 1830 C ALA B 102 19.835 1.177 4.807 1.00 60.85 C ATOM 1831 O ALA B 102 20.546 0.771 5.734 1.00 65.77 O ATOM 1832 CB ALA B 102 20.941 2.496 2.961 1.00 58.43 C ATOM 1833 N LYS B 103 18.608 1.661 5.018 1.00 59.34 N ATOM 1834 CA LYS B 103 18.074 1.713 6.385 1.00 58.08 C ATOM 1835 C LYS B 103 17.960 0.294 6.940 1.00 57.73 C ATOM 1836 O LYS B 103 18.483 0.007 8.024 1.00 58.50 O ATOM 1837 CB LYS B 103 16.698 2.392 6.435 1.00 55.96 C ATOM 1838 CG LYS B 103 16.261 2.778 7.862 1.00 59.31 C ATOM 1839 CD LYS B 103 14.793 3.271 7.912 1.00 67.65 C ATOM 1840 CE LYS B 103 13.810 2.103 7.657 1.00 70.37 C ATOM 1841 NZ LYS B 103 12.376 2.496 7.407 1.00 65.90 N ATOM 1842 N GLU B 104 17.276 -0.582 6.194 1.00 55.14 N ATOM 1843 CA GLU B 104 17.094 -1.980 6.602 1.00 53.08 C ATOM 1844 C GLU B 104 18.469 -2.634 6.799 1.00 55.21 C ATOM 1845 O GLU B 104 18.656 -3.451 7.702 1.00 54.08 O ATOM 1846 CB GLU B 104 16.302 -2.739 5.531 1.00 55.01 C ATOM 1847 CG GLU B 104 16.101 -4.237 5.813 1.00 57.32 C ATOM 1848 CD GLU B 104 15.237 -4.516 7.037 1.00 70.27 C ATOM 1849 OE1 GLU B 104 14.043 -4.076 7.046 1.00 78.76 O ATOM 1850 OE2 GLU B 104 15.741 -5.186 7.990 1.00 55.80 O ATOM 1851 N ILE B 105 19.431 -2.270 5.955 1.00 49.04 N ATOM 1852 CA ILE B 105 20.761 -2.814 6.079 1.00 39.26 C ATOM 1853 C ILE B 105 21.434 -2.299 7.336 1.00 43.39 C ATOM 1854 O ILE B 105 22.094 -3.062 8.031 1.00 52.86 O ATOM 1855 CB ILE B 105 21.640 -2.450 4.872 1.00 41.13 C ATOM 1856 CG1 ILE B 105 21.177 -3.220 3.628 1.00 32.30 C ATOM 1857 CG2 ILE B 105 23.099 -2.767 5.176 1.00 27.88 C ATOM 1858 CD1 ILE B 105 21.847 -2.786 2.342 1.00 28.04 C ATOM 1859 N HIS B 106 21.278 -1.015 7.645 1.00 48.40 N ATOM 1860 CA HIS B 106 21.918 -0.452 8.844 1.00 52.07 C ATOM 1861 C HIS B 106 21.476 -1.151 10.105 1.00 55.80 C ATOM 1862 O HIS B 106 22.285 -1.377 11.001 1.00 61.17 O ATOM 1863 CB HIS B 106 21.622 1.039 8.979 1.00 54.17 C ATOM 1864 CG HIS B 106 22.319 1.883 7.963 1.00 51.49 C ATOM 1865 ND1 HIS B 106 21.883 3.137 7.612 1.00 53.87 N ATOM 1866 CD2 HIS B 106 23.392 1.620 7.176 1.00 50.84 C ATOM 1867 CE1 HIS B 106 22.649 3.612 6.643 1.00 56.66 C ATOM 1868 NE2 HIS B 106 23.568 2.712 6.363 1.00 54.93 N ATOM 1869 N SER B 107 20.191 -1.485 10.173 1.00 49.11 N ATOM 1870 CA SER B 107 19.654 -2.164 11.337 1.00 46.32 C ATOM 1871 C SER B 107 20.224 -3.580 11.438 1.00 43.09 C ATOM 1872 O SER B 107 20.575 -4.035 12.527 1.00 46.06 O ATOM 1873 CB SER B 107 18.122 -2.187 11.281 1.00 47.86 C ATOM 1874 OG SER B 107 17.654 -2.846 10.128 1.00 55.18 O ATOM 1875 N LEU B 108 20.325 -4.266 10.302 1.00 40.58 N ATOM 1876 CA LEU B 108 20.878 -5.622 10.260 1.00 40.82 C ATOM 1877 C LEU B 108 22.348 -5.591 10.694 1.00 36.36 C ATOM 1878 O LEU B 108 22.804 -6.484 11.414 1.00 34.61 O ATOM 1879 CB LEU B 108 20.729 -6.217 8.847 1.00 35.26 C ATOM 1880 CG LEU B 108 19.283 -6.556 8.410 1.00 32.58 C ATOM 1881 CD1 LEU B 108 19.202 -6.865 6.904 1.00 29.55 C ATOM 1882 CD2 LEU B 108 18.786 -7.731 9.205 1.00 19.98 C ATOM 1883 N ILE B 109 23.075 -4.556 10.261 1.00 32.39 N ATOM 1884 CA ILE B 109 24.479 -4.373 10.652 1.00 39.50 C ATOM 1885 C ILE B 109 24.500 -4.240 12.190 1.00 46.71 C ATOM 1886 O ILE B 109 25.401 -4.748 12.847 1.00 53.05 O ATOM 1887 CB ILE B 109 25.118 -3.049 10.091 1.00 34.73 C ATOM 1888 CG1 ILE B 109 24.972 -2.937 8.566 1.00 35.35 C ATOM 1889 CG2 ILE B 109 26.583 -2.984 10.497 1.00 25.71 C ATOM 1890 CD1 ILE B 109 25.875 -3.845 7.744 1.00 45.72 C ATOM 1891 N GLU B 110 23.507 -3.541 12.749 1.00 50.62 N ATOM 1892 CA GLU B 110 23.408 -3.336 14.198 1.00 50.55 C ATOM 1893 C GLU B 110 23.104 -4.655 14.906 1.00 50.81 C ATOM 1894 O GLU B 110 23.747 -5.012 15.893 1.00 48.85 O ATOM 1895 CB GLU B 110 22.318 -2.299 14.535 1.00 50.48 C ATOM 1896 CG GLU B 110 22.156 -1.980 16.038 1.00 56.80 C ATOM 1897 CD GLU B 110 23.448 -1.497 16.706 1.00 62.08 C ATOM 1898 OE1 GLU B 110 24.067 -0.544 16.189 1.00 65.44 O ATOM 1899 OE2 GLU B 110 23.844 -2.065 17.753 1.00 57.01 O ATOM 1900 N ASP B 111 22.126 -5.380 14.385 1.00 47.94 N ATOM 1901 CA ASP B 111 21.754 -6.658 14.960 1.00 48.32 C ATOM 1902 C ASP B 111 22.952 -7.608 15.024 1.00 54.87 C ATOM 1903 O ASP B 111 23.171 -8.250 16.049 1.00 57.65 O ATOM 1904 CB ASP B 111 20.618 -7.269 14.148 1.00 53.86 C ATOM 1905 CG ASP B 111 19.271 -6.637 14.469 1.00 64.15 C ATOM 1906 OD1 ASP B 111 19.215 -5.417 14.757 1.00 64.18 O ATOM 1907 OD2 ASP B 111 18.259 -7.363 14.419 1.00 66.83 O ATOM 1908 N SER B 112 23.727 -7.687 13.942 1.00 45.88 N ATOM 1909 CA SER B 112 24.903 -8.561 13.892 1.00 44.84 C ATOM 1910 C SER B 112 25.950 -8.085 14.904 1.00 50.26 C ATOM 1911 O SER B 112 26.646 -8.894 15.529 1.00 49.36 O ATOM 1912 CB SER B 112 25.497 -8.568 12.472 1.00 37.93 C ATOM 1913 OG SER B 112 26.604 -9.441 12.347 1.00 23.93 O ATOM 1914 N PHE B 113 26.042 -6.769 15.073 1.00 48.20 N ATOM 1915 CA PHE B 113 26.993 -6.172 16.010 1.00 49.05 C ATOM 1916 C PHE B 113 26.657 -6.579 17.449 1.00 47.32 C ATOM 1917 O PHE B 113 27.517 -7.067 18.167 1.00 44.16 O ATOM 1918 CB PHE B 113 26.953 -4.641 15.885 1.00 55.45 C ATOM 1919 CG PHE B 113 28.061 -3.942 16.627 1.00 57.76 C ATOM 1920 CD1 PHE B 113 29.375 -4.007 16.172 1.00 60.96 C ATOM 1921 CD2 PHE B 113 27.795 -3.215 17.778 1.00 55.99 C ATOM 1922 CE1 PHE B 113 30.406 -3.377 16.865 1.00 51.07 C ATOM 1923 CE2 PHE B 113 28.821 -2.587 18.470 1.00 50.80 C ATOM 1924 CZ PHE B 113 30.125 -2.661 18.007 1.00 51.57 C ATOM 1925 N GLN B 114 25.403 -6.371 17.851 1.00 45.56 N ATOM 1926 CA GLN B 114 24.935 -6.705 19.198 1.00 46.74 C ATOM 1927 C GLN B 114 24.924 -8.207 19.466 1.00 46.94 C ATOM 1928 O GLN B 114 25.075 -8.634 20.604 1.00 45.71 O ATOM 1929 CB GLN B 114 23.509 -6.177 19.438 1.00 39.89 C ATOM 1930 CG GLN B 114 23.355 -4.665 19.531 1.00 43.27 C ATOM 1931 CD GLN B 114 24.276 -4.043 20.550 1.00 51.18 C ATOM 1932 OE1 GLN B 114 24.316 -4.463 21.708 1.00 58.63 O ATOM 1933 NE2 GLN B 114 25.028 -3.036 20.126 1.00 41.97 N ATOM 1934 N LEU B 115 24.719 -8.998 18.420 1.00 50.04 N ATOM 1935 CA LEU B 115 24.663 -10.453 18.533 1.00 41.92 C ATOM 1936 C LEU B 115 26.062 -11.022 18.795 1.00 44.06 C ATOM 1937 O LEU B 115 26.212 -12.182 19.192 1.00 46.43 O ATOM 1938 CB LEU B 115 24.112 -11.050 17.236 1.00 42.64 C ATOM 1939 CG LEU B 115 23.097 -12.184 17.323 1.00 42.94 C ATOM 1940 CD1 LEU B 115 23.637 -13.318 18.216 1.00 54.48 C ATOM 1941 CD2 LEU B 115 21.802 -11.648 17.878 1.00 41.17 C ATOM 1942 N THR B 116 27.078 -10.193 18.580 1.00 39.63 N ATOM 1943 CA THR B 116 28.458 -10.599 18.762 1.00 42.60 C ATOM 1944 C THR B 116 29.231 -9.720 19.755 1.00 47.19 C ATOM 1945 O THR B 116 30.460 -9.786 19.835 1.00 41.72 O ATOM 1946 CB THR B 116 29.170 -10.599 17.407 1.00 41.27 C ATOM 1947 OG1 THR B 116 28.855 -9.394 16.705 1.00 38.88 O ATOM 1948 CG2 THR B 116 28.716 -11.778 16.564 1.00 45.46 C ATOM 1949 N ARG B 117 28.491 -8.911 20.514 1.00 56.99 N ATOM 1950 CA ARG B 117 29.040 -7.989 21.517 1.00 63.67 C ATOM 1951 C ARG B 117 29.722 -8.771 22.644 1.00 68.97 C ATOM 1952 O ARG B 117 29.474 -9.991 22.733 1.00 65.82 O ATOM 1953 CB ARG B 117 27.893 -7.140 22.094 1.00 70.12 C ATOM 1954 CG ARG B 117 28.142 -5.633 22.236 1.00 78.75 C ATOM 1955 CD ARG B 117 29.185 -5.306 23.295 1.00 86.86 C ATOM 1956 NE ARG B 117 30.434 -4.821 22.702 1.00 98.06 N ATOM 1957 CZ ARG B 117 30.608 -3.604 22.188 1.00 95.56 C ATOM 1958 NH1 ARG B 117 29.606 -2.730 22.192 1.00 91.85 N ATOM 1959 NH2 ARG B 117 31.783 -3.266 21.663 1.00 82.26 N TER 1961 ARG B 117 HETATM 1961 N MSE C 1 28.267 9.372 -44.425 1.00 58.58 N HETATM 1962 CA MSE C 1 26.983 8.620 -44.386 1.00 59.03 C HETATM 1963 C MSE C 1 25.872 9.540 -43.889 1.00 57.71 C HETATM 1964 O MSE C 1 26.075 10.327 -42.965 1.00 57.20 O HETATM 1965 CB MSE C 1 27.115 7.408 -43.463 1.00 63.36 C HETATM 1966 CG MSE C 1 25.897 6.497 -43.444 1.00 75.80 C HETATM 1967 SE MSE C 1 26.104 5.066 -42.159 1.00 83.65 HETATM 1968 CE MSE C 1 25.458 6.026 -40.594 1.00 86.44 C ATOM 1969 N ASN C 2 24.699 9.441 -44.509 1.00 55.85 N ATOM 1970 CA ASN C 2 23.568 10.287 -44.143 1.00 54.10 C ATOM 1971 C ASN C 2 22.425 9.507 -43.526 1.00 53.40 C ATOM 1972 O ASN C 2 22.427 8.271 -43.527 1.00 53.66 O ATOM 1973 CB ASN C 2 23.049 11.035 -45.368 1.00 49.54 C ATOM 1974 CG ASN C 2 22.441 10.108 -46.396 1.00 52.47 C ATOM 1975 OD1 ASN C 2 22.133 10.521 -47.506 1.00 51.84 O ATOM 1976 ND2 ASN C 2 22.260 8.844 -46.027 1.00 49.33 N ATOM 1977 N ARG C 3 21.448 10.260 -43.026 1.00 42.87 N ATOM 1978 CA ARG C 3 20.257 9.727 -42.381 1.00 38.70 C ATOM 1979 C ARG C 3 19.632 8.561 -43.146 1.00 45.49 C ATOM 1980 O ARG C 3 19.317 7.528 -42.566 1.00 47.49 O ATOM 1981 CB ARG C 3 19.229 10.847 -42.219 1.00 35.09 C ATOM 1982 CG ARG C 3 18.064 10.490 -41.347 1.00 28.71 C ATOM 1983 CD ARG C 3 16.972 11.533 -41.410 1.00 37.34 C ATOM 1984 NE ARG C 3 16.153 11.493 -40.202 1.00 45.95 N ATOM 1985 CZ ARG C 3 16.581 11.879 -39.000 1.00 51.20 C ATOM 1986 NH1 ARG C 3 17.811 12.345 -38.851 1.00 52.17 N ATOM 1987 NH2 ARG C 3 15.797 11.776 -37.931 1.00 58.12 N ATOM 1988 N GLN C 4 19.459 8.731 -44.452 1.00 54.65 N ATOM 1989 CA GLN C 4 18.866 7.700 -45.307 1.00 55.71 C ATOM 1990 C GLN C 4 19.685 6.413 -45.337 1.00 49.12 C ATOM 1991 O GLN C 4 19.188 5.359 -44.985 1.00 45.70 O ATOM 1992 CB GLN C 4 18.722 8.227 -46.743 1.00 65.80 C ATOM 1993 CG GLN C 4 17.306 8.247 -47.310 1.00 70.48 C ATOM 1994 CD GLN C 4 16.644 6.886 -47.299 1.00 78.98 C ATOM 1995 OE1 GLN C 4 16.192 6.409 -46.257 1.00 84.24 O ATOM 1996 NE2 GLN C 4 16.583 6.253 -48.465 1.00 78.63 N ATOM 1997 N GLN C 5 20.941 6.513 -45.763 1.00 48.96 N ATOM 1998 CA GLN C 5 21.821 5.354 -45.870 1.00 48.48 C ATOM 1999 C GLN C 5 21.924 4.579 -44.575 1.00 51.93 C ATOM 2000 O GLN C 5 22.123 3.359 -44.574 1.00 47.81 O ATOM 2001 CB GLN C 5 23.212 5.793 -46.303 1.00 43.20 C ATOM 2002 CG GLN C 5 23.206 6.608 -47.581 1.00 46.72 C ATOM 2003 CD GLN C 5 24.559 7.194 -47.870 1.00 47.68 C ATOM 2004 OE1 GLN C 5 25.234 7.696 -46.971 1.00 42.01 O ATOM 2005 NE2 GLN C 5 24.962 7.153 -49.132 1.00 50.13 N ATOM 2006 N PHE C 6 21.795 5.302 -43.469 1.00 54.17 N ATOM 2007 CA PHE C 6 21.856 4.701 -42.150 1.00 45.89 C ATOM 2008 C PHE C 6 20.650 3.823 -41.840 1.00 45.29 C ATOM 2009 O PHE C 6 20.814 2.642 -41.545 1.00 43.99 O ATOM 2010 CB PHE C 6 21.986 5.780 -41.073 1.00 42.43 C ATOM 2011 CG PHE C 6 21.825 5.247 -39.680 1.00 36.31 C ATOM 2012 CD1 PHE C 6 20.570 5.185 -39.083 1.00 33.77 C ATOM 2013 CD2 PHE C 6 22.917 4.725 -39.001 1.00 28.73 C ATOM 2014 CE1 PHE C 6 20.406 4.606 -37.835 1.00 32.30 C ATOM 2015 CE2 PHE C 6 22.767 4.145 -37.761 1.00 31.94 C ATOM 2016 CZ PHE C 6 21.507 4.083 -37.175 1.00 39.03 C ATOM 2017 N ILE C 7 19.441 4.382 -41.903 1.00 44.81 N ATOM 2018 CA ILE C 7 18.250 3.578 -41.601 1.00 54.75 C ATOM 2019 C ILE C 7 18.150 2.364 -42.532 1.00 57.04 C ATOM 2020 O ILE C 7 17.580 1.332 -42.170 1.00 59.98 O ATOM 2021 CB ILE C 7 16.913 4.405 -41.667 1.00 49.80 C ATOM 2022 CG1 ILE C 7 16.267 4.270 -43.035 1.00 53.09 C ATOM 2023 CG2 ILE C 7 17.160 5.846 -41.304 1.00 36.16 C ATOM 2024 CD1 ILE C 7 15.215 3.165 -43.104 1.00 49.37 C ATOM 2025 N ASP C 8 18.713 2.490 -43.726 1.00 56.57 N ATOM 2026 CA ASP C 8 18.705 1.397 -44.679 1.00 56.07 C ATOM 2027 C ASP C 8 19.688 0.326 -44.235 1.00 53.70 C ATOM 2028 O ASP C 8 19.359 -0.851 -44.222 1.00 55.83 O ATOM 2029 CB ASP C 8 19.087 1.901 -46.070 1.00 65.10 C ATOM 2030 CG ASP C 8 17.969 2.688 -46.743 1.00 75.15 C ATOM 2031 OD1 ASP C 8 18.243 3.322 -47.786 1.00 79.99 O ATOM 2032 OD2 ASP C 8 16.823 2.669 -46.241 1.00 70.38 O ATOM 2033 N TYR C 9 20.899 0.724 -43.867 1.00 48.69 N ATOM 2034 CA TYR C 9 21.868 -0.266 -43.431 1.00 49.71 C ATOM 2035 C TYR C 9 21.337 -1.089 -42.258 1.00 51.71 C ATOM 2036 O TYR C 9 21.533 -2.302 -42.212 1.00 55.08 O ATOM 2037 CB TYR C 9 23.186 0.414 -43.062 1.00 50.42 C ATOM 2038 CG TYR C 9 24.215 -0.501 -42.431 1.00 51.17 C ATOM 2039 CD1 TYR C 9 24.276 -0.657 -41.052 1.00 52.96 C ATOM 2040 CD2 TYR C 9 25.153 -1.177 -43.206 1.00 53.99 C ATOM 2041 CE1 TYR C 9 25.250 -1.454 -40.458 1.00 51.03 C ATOM 2042 CE2 TYR C 9 26.132 -1.980 -42.618 1.00 54.84 C ATOM 2043 CZ TYR C 9 26.172 -2.109 -41.247 1.00 51.14 C ATOM 2044 OH TYR C 9 27.136 -2.888 -40.658 1.00 60.01 O ATOM 2045 N ALA C 10 20.644 -0.437 -41.328 1.00 52.18 N ATOM 2046 CA ALA C 10 20.087 -1.126 -40.160 1.00 55.36 C ATOM 2047 C ALA C 10 19.031 -2.153 -40.549 1.00 56.41 C ATOM 2048 O ALA C 10 18.979 -3.247 -39.991 1.00 52.74 O ATOM 2049 CB ALA C 10 19.487 -0.113 -39.200 1.00 50.95 C ATOM 2050 N GLN C 11 18.186 -1.781 -41.506 1.00 62.88 N ATOM 2051 CA GLN C 11 17.119 -2.642 -41.998 1.00 62.93 C ATOM 2052 C GLN C 11 17.677 -3.910 -42.653 1.00 66.53 C ATOM 2053 O GLN C 11 17.122 -4.998 -42.494 1.00 67.81 O ATOM 2054 CB GLN C 11 16.253 -1.862 -42.999 1.00 62.23 C ATOM 2055 CG GLN C 11 15.218 -2.681 -43.762 1.00 64.73 C ATOM 2056 CD GLN C 11 14.212 -3.376 -42.860 1.00 66.67 C ATOM 2057 OE1 GLN C 11 13.519 -2.732 -42.071 1.00 69.19 O ATOM 2058 NE2 GLN C 11 14.124 -4.698 -42.979 1.00 74.03 N ATOM 2059 N LYS C 12 18.781 -3.773 -43.376 1.00 60.37 N ATOM 2060 CA LYS C 12 19.372 -4.919 -44.052 1.00 62.31 C ATOM 2061 C LYS C 12 20.293 -5.738 -43.158 1.00 63.08 C ATOM 2062 O LYS C 12 20.130 -6.948 -43.049 1.00 63.73 O ATOM 2063 CB LYS C 12 20.147 -4.465 -45.291 1.00 65.74 C ATOM 2064 CG LYS C 12 19.365 -3.557 -46.222 1.00 73.49 C ATOM 2065 CD LYS C 12 18.132 -4.242 -46.806 1.00 80.88 C ATOM 2066 CE LYS C 12 18.510 -5.306 -47.830 1.00 78.46 C ATOM 2067 NZ LYS C 12 17.310 -5.920 -48.471 1.00 72.30 N ATOM 2068 N LYS C 13 21.261 -5.084 -42.521 1.00 59.11 N ATOM 2069 CA LYS C 13 22.209 -5.788 -41.663 1.00 56.30 C ATOM 2070 C LYS C 13 21.649 -6.279 -40.348 1.00 57.50 C ATOM 2071 O LYS C 13 22.299 -7.067 -39.668 1.00 63.06 O ATOM 2072 CB LYS C 13 23.421 -4.911 -41.355 1.00 56.86 C ATOM 2073 CG LYS C 13 24.576 -5.036 -42.345 1.00 71.93 C ATOM 2074 CD LYS C 13 25.403 -6.310 -42.146 1.00 76.23 C ATOM 2075 CE LYS C 13 26.206 -6.266 -40.860 1.00 69.14 C ATOM 2076 NZ LYS C 13 25.302 -6.140 -39.696 1.00 63.63 N ATOM 2077 N TYR C 14 20.462 -5.822 -39.972 1.00 52.77 N ATOM 2078 CA TYR C 14 19.894 -6.256 -38.707 1.00 49.17 C ATOM 2079 C TYR C 14 18.415 -6.549 -38.816 1.00 55.70 C ATOM 2080 O TYR C 14 17.824 -7.095 -37.888 1.00 51.79 O ATOM 2081 CB TYR C 14 20.132 -5.194 -37.623 1.00 49.44 C ATOM 2082 CG TYR C 14 21.595 -4.911 -37.346 1.00 44.55 C ATOM 2083 CD1 TYR C 14 22.406 -5.849 -36.701 1.00 36.67 C ATOM 2084 CD2 TYR C 14 22.186 -3.737 -37.803 1.00 43.19 C ATOM 2085 CE1 TYR C 14 23.774 -5.624 -36.529 1.00 31.85 C ATOM 2086 CE2 TYR C 14 23.549 -3.503 -37.638 1.00 43.01 C ATOM 2087 CZ TYR C 14 24.340 -4.451 -37.006 1.00 44.41 C ATOM 2088 OH TYR C 14 25.699 -4.235 -36.903 1.00 47.20 O ATOM 2089 N ASP C 15 17.813 -6.188 -39.945 1.00 62.92 N ATOM 2090 CA ASP C 15 16.389 -6.428 -40.146 1.00 66.78 C ATOM 2091 C ASP C 15 15.570 -5.759 -39.033 1.00 67.13 C ATOM 2092 O ASP C 15 14.609 -6.329 -38.518 1.00 57.95 O ATOM 2093 CB ASP C 15 16.128 -7.933 -40.167 1.00 71.26 C ATOM 2094 CG ASP C 15 14.855 -8.288 -40.882 1.00 82.17 C ATOM 2095 OD1 ASP C 15 13.762 -8.097 -40.305 1.00 84.76 O ATOM 2096 OD2 ASP C 15 14.951 -8.750 -42.039 1.00 89.25 O ATOM 2097 N THR C 16 15.964 -4.536 -38.681 1.00 67.87 N ATOM 2098 CA THR C 16 15.305 -3.755 -37.640 1.00 65.25 C ATOM 2099 C THR C 16 14.509 -2.607 -38.241 1.00 64.77 C ATOM 2100 O THR C 16 15.008 -1.894 -39.109 1.00 65.03 O ATOM 2101 CB THR C 16 16.333 -3.128 -36.671 1.00 69.15 C ATOM 2102 OG1 THR C 16 17.158 -4.148 -36.088 1.00 71.19 O ATOM 2103 CG2 THR C 16 15.622 -2.368 -35.566 1.00 72.20 C ATOM 2104 N LYS C 17 13.275 -2.429 -37.777 1.00 68.49 N ATOM 2105 CA LYS C 17 12.429 -1.334 -38.258 1.00 70.35 C ATOM 2106 C LYS C 17 12.563 -0.146 -37.296 1.00 63.65 C ATOM 2107 O LYS C 17 12.442 -0.303 -36.077 1.00 60.40 O ATOM 2108 CB LYS C 17 10.960 -1.799 -38.382 1.00 77.41 C ATOM 2109 CG LYS C 17 9.901 -0.949 -37.639 1.00 86.14 C ATOM 2110 CD LYS C 17 9.760 -1.335 -36.147 1.00 81.87 C ATOM 2111 CE LYS C 17 8.884 -0.351 -35.356 1.00 70.87 C ATOM 2112 NZ LYS C 17 7.527 -0.107 -35.939 1.00 64.08 N ATOM 2113 N PRO C 18 12.836 1.055 -37.830 1.00 57.32 N ATOM 2114 CA PRO C 18 12.986 2.245 -36.993 1.00 56.50 C ATOM 2115 C PRO C 18 11.728 2.596 -36.209 1.00 60.19 C ATOM 2116 O PRO C 18 10.619 2.564 -36.745 1.00 56.91 O ATOM 2117 CB PRO C 18 13.373 3.322 -37.999 1.00 51.28 C ATOM 2118 CG PRO C 18 12.684 2.885 -39.243 1.00 47.22 C ATOM 2119 CD PRO C 18 12.983 1.406 -39.252 1.00 58.69 C ATOM 2120 N ASP C 19 11.922 2.937 -34.937 1.00 60.69 N ATOM 2121 CA ASP C 19 10.831 3.312 -34.048 1.00 59.77 C ATOM 2122 C ASP C 19 10.861 4.806 -33.738 1.00 61.28 C ATOM 2123 O ASP C 19 11.924 5.428 -33.742 1.00 63.84 O ATOM 2124 CB ASP C 19 10.921 2.526 -32.755 1.00 61.97 C ATOM 2125 CG ASP C 19 9.745 1.643 -32.563 1.00 75.70 C ATOM 2126 OD1 ASP C 19 8.615 2.181 -32.520 1.00 89.07 O ATOM 2127 OD2 ASP C 19 9.938 0.416 -32.465 1.00 83.26 O ATOM 2128 N HIS C 20 9.696 5.380 -33.462 1.00 52.84 N ATOM 2129 CA HIS C 20 9.615 6.800 -33.167 1.00 45.38 C ATOM 2130 C HIS C 20 8.818 6.990 -31.899 1.00 47.75 C ATOM 2131 O HIS C 20 7.607 7.226 -31.939 1.00 44.84 O ATOM 2132 CB HIS C 20 8.948 7.530 -34.327 1.00 36.68 C ATOM 2133 CG HIS C 20 9.562 7.212 -35.650 1.00 36.20 C ATOM 2134 ND1 HIS C 20 10.782 7.719 -36.042 1.00 29.03 N ATOM 2135 CD2 HIS C 20 9.178 6.358 -36.625 1.00 27.59 C ATOM 2136 CE1 HIS C 20 11.126 7.188 -37.201 1.00 37.68 C ATOM 2137 NE2 HIS C 20 10.168 6.355 -37.576 1.00 37.11 N ATOM 2138 N PRO C 21 9.489 6.889 -30.747 1.00 46.51 N ATOM 2139 CA PRO C 21 8.865 7.040 -29.434 1.00 41.60 C ATOM 2140 C PRO C 21 8.301 8.417 -29.149 1.00 41.62 C ATOM 2141 O PRO C 21 7.253 8.538 -28.514 1.00 48.27 O ATOM 2142 CB PRO C 21 9.998 6.698 -28.471 1.00 47.04 C ATOM 2143 CG PRO C 21 10.848 5.774 -29.256 1.00 46.06 C ATOM 2144 CD PRO C 21 10.885 6.452 -30.601 1.00 41.32 C ATOM 2145 N TRP C 22 9.005 9.448 -29.610 1.00 39.55 N ATOM 2146 CA TRP C 22 8.610 10.830 -29.373 1.00 42.11 C ATOM 2147 C TRP C 22 7.664 11.396 -30.405 1.00 50.86 C ATOM 2148 O TRP C 22 7.996 11.493 -31.578 1.00 57.71 O ATOM 2149 CB TRP C 22 9.845 11.724 -29.308 1.00 40.21 C ATOM 2150 CG TRP C 22 10.791 11.349 -28.231 1.00 38.58 C ATOM 2151 CD1 TRP C 22 10.744 11.727 -26.917 1.00 35.05 C ATOM 2152 CD2 TRP C 22 11.916 10.483 -28.363 1.00 43.22 C ATOM 2153 NE1 TRP C 22 11.777 11.141 -26.219 1.00 32.16 N ATOM 2154 CE2 TRP C 22 12.509 10.375 -27.085 1.00 39.65 C ATOM 2155 CE3 TRP C 22 12.474 9.776 -29.436 1.00 43.84 C ATOM 2156 CZ2 TRP C 22 13.648 9.604 -26.860 1.00 34.38 C ATOM 2157 CZ3 TRP C 22 13.603 9.004 -29.205 1.00 34.80 C ATOM 2158 CH2 TRP C 22 14.173 8.925 -27.927 1.00 40.88 C ATOM 2159 N GLU C 23 6.490 11.790 -29.944 1.00 53.09 N ATOM 2160 CA GLU C 23 5.479 12.354 -30.811 1.00 53.59 C ATOM 2161 C GLU C 23 5.923 13.743 -31.247 1.00 52.47 C ATOM 2162 O GLU C 23 5.753 14.135 -32.403 1.00 55.94 O ATOM 2163 CB GLU C 23 4.149 12.434 -30.054 1.00 61.15 C ATOM 2164 CG GLU C 23 4.186 13.264 -28.743 1.00 82.06 C ATOM 2165 CD GLU C 23 4.938 12.594 -27.572 1.00 93.34 C ATOM 2166 OE1 GLU C 23 4.397 11.641 -26.958 1.00 90.41 O ATOM 2167 OE2 GLU C 23 6.075 13.030 -27.264 1.00 92.43 O ATOM 2168 N LYS C 24 6.505 14.472 -30.302 1.00 50.92 N ATOM 2169 CA LYS C 24 6.975 15.833 -30.528 1.00 52.85 C ATOM 2170 C LYS C 24 8.100 15.906 -31.552 1.00 48.38 C ATOM 2171 O LYS C 24 8.241 16.910 -32.245 1.00 37.00 O ATOM 2172 CB LYS C 24 7.431 16.439 -29.191 1.00 63.90 C ATOM 2173 CG LYS C 24 6.288 16.817 -28.228 1.00 69.40 C ATOM 2174 CD LYS C 24 6.753 16.868 -26.759 1.00 80.65 C ATOM 2175 CE LYS C 24 7.942 17.820 -26.507 1.00 87.23 C ATOM 2176 NZ LYS C 24 7.612 19.282 -26.549 1.00 84.01 N ATOM 2177 N PHE C 25 8.889 14.839 -31.642 1.00 44.68 N ATOM 2178 CA PHE C 25 10.008 14.787 -32.580 1.00 47.53 C ATOM 2179 C PHE C 25 9.897 13.627 -33.560 1.00 46.45 C ATOM 2180 O PHE C 25 10.422 12.544 -33.302 1.00 44.57 O ATOM 2181 CB PHE C 25 11.329 14.681 -31.826 1.00 47.05 C ATOM 2182 CG PHE C 25 11.546 15.786 -30.847 1.00 54.33 C ATOM 2183 CD1 PHE C 25 10.956 15.746 -29.590 1.00 59.46 C ATOM 2184 CD2 PHE C 25 12.313 16.892 -31.193 1.00 62.12 C ATOM 2185 CE1 PHE C 25 11.127 16.792 -28.688 1.00 70.52 C ATOM 2186 CE2 PHE C 25 12.492 17.942 -30.302 1.00 66.69 C ATOM 2187 CZ PHE C 25 11.895 17.892 -29.045 1.00 71.66 C ATOM 2188 N PRO C 26 9.226 13.851 -34.708 1.00 41.95 N ATOM 2189 CA PRO C 26 9.038 12.825 -35.736 1.00 38.97 C ATOM 2190 C PRO C 26 10.344 12.259 -36.273 1.00 42.18 C ATOM 2191 O PRO C 26 10.389 11.118 -36.722 1.00 45.30 O ATOM 2192 CB PRO C 26 8.251 13.564 -36.812 1.00 35.77 C ATOM 2193 CG PRO C 26 7.504 14.596 -36.038 1.00 33.73 C ATOM 2194 CD PRO C 26 8.565 15.104 -35.113 1.00 31.57 C ATOM 2195 N ASP C 27 11.400 13.062 -36.234 1.00 44.57 N ATOM 2196 CA ASP C 27 12.697 12.639 -36.743 1.00 52.52 C ATOM 2197 C ASP C 27 13.467 11.694 -35.869 1.00 53.76 C ATOM 2198 O ASP C 27 14.092 10.757 -36.368 1.00 62.76 O ATOM 2199 CB ASP C 27 13.577 13.832 -36.997 1.00 54.74 C ATOM 2200 CG ASP C 27 13.177 14.552 -38.214 1.00 61.59 C ATOM 2201 OD1 ASP C 27 13.819 15.569 -38.528 1.00 78.38 O ATOM 2202 OD2 ASP C 27 12.216 14.089 -38.863 1.00 65.68 O ATOM 2203 N TYR C 28 13.461 11.964 -34.571 1.00 44.43 N ATOM 2204 CA TYR C 28 14.167 11.108 -33.646 1.00 39.21 C ATOM 2205 C TYR C 28 13.675 9.681 -33.865 1.00 35.07 C ATOM 2206 O TYR C 28 12.476 9.425 -33.859 1.00 39.19 O ATOM 2207 CB TYR C 28 13.913 11.566 -32.203 1.00 35.17 C ATOM 2208 CG TYR C 28 14.446 12.945 -31.887 1.00 32.71 C ATOM 2209 CD1 TYR C 28 14.638 13.353 -30.568 1.00 32.00 C ATOM 2210 CD2 TYR C 28 14.783 13.837 -32.903 1.00 36.08 C ATOM 2211 CE1 TYR C 28 15.163 14.620 -30.273 1.00 37.65 C ATOM 2212 CE2 TYR C 28 15.304 15.097 -32.617 1.00 41.32 C ATOM 2213 CZ TYR C 28 15.493 15.480 -31.304 1.00 40.68 C ATOM 2214 OH TYR C 28 16.035 16.718 -31.044 1.00 43.13 O ATOM 2215 N ALA C 29 14.605 8.759 -34.088 1.00 32.31 N ATOM 2216 CA ALA C 29 14.264 7.361 -34.309 1.00 30.45 C ATOM 2217 C ALA C 29 15.211 6.464 -33.532 1.00 33.78 C ATOM 2218 O ALA C 29 16.422 6.682 -33.539 1.00 37.52 O ATOM 2219 CB ALA C 29 14.351 7.033 -35.784 1.00 40.26 C ATOM 2220 N VAL C 30 14.666 5.459 -32.847 1.00 34.10 N ATOM 2221 CA VAL C 30 15.512 4.538 -32.090 1.00 41.59 C ATOM 2222 C VAL C 30 15.543 3.169 -32.757 1.00 38.17 C ATOM 2223 O VAL C 30 14.627 2.806 -33.481 1.00 35.48 O ATOM 2224 CB VAL C 30 15.053 4.392 -30.583 1.00 41.71 C ATOM 2225 CG1 VAL C 30 14.940 5.754 -29.931 1.00 35.34 C ATOM 2226 CG2 VAL C 30 13.753 3.635 -30.490 1.00 38.52 C ATOM 2227 N PHE C 31 16.622 2.433 -32.530 1.00 39.65 N ATOM 2228 CA PHE C 31 16.764 1.100 -33.090 1.00 47.33 C ATOM 2229 C PHE C 31 17.036 0.145 -31.948 1.00 49.43 C ATOM 2230 O PHE C 31 18.028 0.293 -31.233 1.00 52.29 O ATOM 2231 CB PHE C 31 17.913 1.054 -34.095 1.00 54.00 C ATOM 2232 CG PHE C 31 17.682 1.906 -35.306 1.00 60.97 C ATOM 2233 CD1 PHE C 31 17.654 3.295 -35.196 1.00 57.19 C ATOM 2234 CD2 PHE C 31 17.465 1.324 -36.550 1.00 62.65 C ATOM 2235 CE1 PHE C 31 17.410 4.091 -36.303 1.00 52.63 C ATOM 2236 CE2 PHE C 31 17.219 2.110 -37.667 1.00 60.65 C ATOM 2237 CZ PHE C 31 17.192 3.497 -37.542 1.00 60.85 C ATOM 2238 N ARG C 32 16.149 -0.826 -31.759 1.00 53.12 N ATOM 2239 CA ARG C 32 16.333 -1.781 -30.683 1.00 54.05 C ATOM 2240 C ARG C 32 16.146 -3.212 -31.132 1.00 47.72 C ATOM 2241 O ARG C 32 15.814 -3.472 -32.284 1.00 39.65 O ATOM 2242 CB ARG C 32 15.369 -1.480 -29.544 1.00 58.74 C ATOM 2243 CG ARG C 32 13.915 -1.674 -29.887 1.00 58.25 C ATOM 2244 CD ARG C 32 13.202 -0.347 -30.017 1.00 58.02 C ATOM 2245 NE ARG C 32 11.769 -0.548 -30.193 1.00 66.35 N ATOM 2246 CZ ARG C 32 10.964 -1.053 -29.263 1.00 64.55 C ATOM 2247 NH1 ARG C 32 9.668 -1.207 -29.510 1.00 55.60 N ATOM 2248 NH2 ARG C 32 11.450 -1.394 -28.079 1.00 64.90 N ATOM 2249 N HIS C 33 16.390 -4.134 -30.204 1.00 53.08 N ATOM 2250 CA HIS C 33 16.243 -5.561 -30.467 1.00 58.32 C ATOM 2251 C HIS C 33 14.807 -5.951 -30.181 1.00 59.80 C ATOM 2252 O HIS C 33 14.145 -5.329 -29.351 1.00 60.31 O ATOM 2253 CB HIS C 33 17.153 -6.405 -29.569 1.00 50.29 C ATOM 2254 CG HIS C 33 18.613 -6.148 -29.757 1.00 44.15 C ATOM 2255 ND1 HIS C 33 19.276 -5.128 -29.111 1.00 45.67 N ATOM 2256 CD2 HIS C 33 19.549 -6.809 -30.478 1.00 46.42 C ATOM 2257 CE1 HIS C 33 20.559 -5.175 -29.420 1.00 47.03 C ATOM 2258 NE2 HIS C 33 20.752 -6.187 -30.248 1.00 36.35 N ATOM 2259 N SER C 34 14.329 -6.988 -30.861 1.00 63.60 N ATOM 2260 CA SER C 34 12.967 -7.456 -30.666 1.00 66.38 C ATOM 2261 C SER C 34 12.899 -8.264 -29.370 1.00 64.34 C ATOM 2262 O SER C 34 11.828 -8.434 -28.785 1.00 65.78 O ATOM 2263 CB SER C 34 12.544 -8.309 -31.858 1.00 69.61 C ATOM 2264 OG SER C 34 11.146 -8.552 -31.823 1.00 76.37 O ATOM 2265 N ASP C 35 14.067 -8.736 -28.933 1.00 65.25 N ATOM 2266 CA ASP C 35 14.241 -9.522 -27.712 1.00 67.39 C ATOM 2267 C ASP C 35 13.968 -8.691 -26.465 1.00 70.16 C ATOM 2268 O ASP C 35 12.848 -8.656 -25.957 1.00 70.87 O ATOM 2269 CB ASP C 35 15.675 -10.043 -27.635 1.00 67.26 C ATOM 2270 CG ASP C 35 16.125 -10.689 -28.923 1.00 79.59 C ATOM 2271 OD1 ASP C 35 15.517 -11.708 -29.316 1.00 86.48 O ATOM 2272 OD2 ASP C 35 17.084 -10.181 -29.548 1.00 83.32 O ATOM 2273 N ASN C 36 15.010 -8.016 -25.985 1.00 69.89 N ATOM 2274 CA ASN C 36 14.931 -7.187 -24.781 1.00 69.68 C ATOM 2275 C ASN C 36 14.486 -5.740 -24.995 1.00 64.07 C ATOM 2276 O ASN C 36 14.413 -4.964 -24.035 1.00 63.40 O ATOM 2277 CB ASN C 36 16.285 -7.175 -24.066 1.00 70.93 C ATOM 2278 CG ASN C 36 17.434 -6.839 -25.002 1.00 74.38 C ATOM 2279 OD1 ASN C 36 17.362 -5.883 -25.774 1.00 70.86 O ATOM 2280 ND2 ASN C 36 18.507 -7.626 -24.931 1.00 79.01 N ATOM 2281 N ASP C 37 14.203 -5.376 -26.239 1.00 59.02 N ATOM 2282 CA ASP C 37 13.773 -4.018 -26.537 1.00 63.67 C ATOM 2283 C ASP C 37 14.848 -2.991 -26.137 1.00 58.43 C ATOM 2284 O ASP C 37 14.537 -1.837 -25.816 1.00 55.70 O ATOM 2285 CB ASP C 37 12.459 -3.707 -25.795 1.00 70.64 C ATOM 2286 CG ASP C 37 11.312 -4.635 -26.196 1.00 80.44 C ATOM 2287 OD1 ASP C 37 10.226 -4.540 -25.576 1.00 76.96 O ATOM 2288 OD2 ASP C 37 11.488 -5.454 -27.127 1.00 87.64 O ATOM 2289 N LYS C 38 16.111 -3.409 -26.146 1.00 54.97 N ATOM 2290 CA LYS C 38 17.199 -2.502 -25.780 1.00 51.33 C ATOM 2291 C LYS C 38 17.678 -1.689 -26.975 1.00 47.30 C ATOM 2292 O LYS C 38 17.980 -2.240 -28.041 1.00 46.00 O ATOM 2293 CB LYS C 38 18.382 -3.272 -25.167 1.00 45.93 C ATOM 2294 CG LYS C 38 18.080 -3.885 -23.809 1.00 46.55 C ATOM 2295 CD LYS C 38 19.342 -4.350 -23.124 1.00 56.23 C ATOM 2296 CE LYS C 38 19.028 -4.890 -21.733 1.00 63.33 C ATOM 2297 NZ LYS C 38 20.240 -5.042 -20.857 1.00 72.03 N ATOM 2298 N TRP C 39 17.729 -0.373 -26.788 1.00 42.14 N ATOM 2299 CA TRP C 39 18.168 0.553 -27.830 1.00 37.35 C ATOM 2300 C TRP C 39 19.649 0.362 -28.083 1.00 37.95 C ATOM 2301 O TRP C 39 20.422 0.242 -27.134 1.00 45.37 O ATOM 2302 CB TRP C 39 17.962 1.995 -27.380 1.00 32.66 C ATOM 2303 CG TRP C 39 16.559 2.379 -27.114 1.00 36.02 C ATOM 2304 CD1 TRP C 39 15.459 1.564 -27.118 1.00 43.04 C ATOM 2305 CD2 TRP C 39 16.084 3.694 -26.819 1.00 43.99 C ATOM 2306 NE1 TRP C 39 14.327 2.291 -26.846 1.00 41.57 N ATOM 2307 CE2 TRP C 39 14.683 3.600 -26.655 1.00 41.30 C ATOM 2308 CE3 TRP C 39 16.708 4.945 -26.670 1.00 48.09 C ATOM 2309 CZ2 TRP C 39 13.895 4.718 -26.357 1.00 42.37 C ATOM 2310 CZ3 TRP C 39 15.922 6.051 -26.375 1.00 43.88 C ATOM 2311 CH2 TRP C 39 14.532 5.928 -26.218 1.00 38.15 C ATOM 2312 N TYR C 40 20.047 0.346 -29.351 1.00 27.40 N ATOM 2313 CA TYR C 40 21.456 0.191 -29.684 1.00 27.96 C ATOM 2314 C TYR C 40 21.868 1.285 -30.677 1.00 27.52 C ATOM 2315 O TYR C 40 23.017 1.367 -31.096 1.00 33.35 O ATOM 2316 CB TYR C 40 21.708 -1.217 -30.259 1.00 35.39 C ATOM 2317 CG TYR C 40 21.135 -1.492 -31.642 1.00 39.97 C ATOM 2318 CD1 TYR C 40 21.802 -1.069 -32.792 1.00 45.38 C ATOM 2319 CD2 TYR C 40 19.934 -2.179 -31.798 1.00 34.13 C ATOM 2320 CE1 TYR C 40 21.293 -1.319 -34.070 1.00 46.90 C ATOM 2321 CE2 TYR C 40 19.410 -2.437 -33.076 1.00 48.26 C ATOM 2322 CZ TYR C 40 20.097 -2.000 -34.213 1.00 47.72 C ATOM 2323 OH TYR C 40 19.587 -2.228 -35.481 1.00 50.79 O ATOM 2324 N ALA C 41 20.913 2.148 -31.009 1.00 32.97 N ATOM 2325 CA ALA C 41 21.115 3.241 -31.946 1.00 33.31 C ATOM 2326 C ALA C 41 20.009 4.304 -31.792 1.00 34.52 C ATOM 2327 O ALA C 41 18.817 3.978 -31.784 1.00 22.00 O ATOM 2328 CB ALA C 41 21.118 2.693 -33.357 1.00 24.32 C ATOM 2329 N LEU C 42 20.417 5.571 -31.673 1.00 40.29 N ATOM 2330 CA LEU C 42 19.493 6.702 -31.526 1.00 36.40 C ATOM 2331 C LEU C 42 19.767 7.731 -32.632 1.00 40.05 C ATOM 2332 O LEU C 42 20.778 8.432 -32.618 1.00 43.62 O ATOM 2333 CB LEU C 42 19.692 7.380 -30.165 1.00 35.38 C ATOM 2334 CG LEU C 42 18.504 7.988 -29.396 1.00 37.05 C ATOM 2335 CD1 LEU C 42 19.066 8.997 -28.413 1.00 33.28 C ATOM 2336 CD2 LEU C 42 17.490 8.658 -30.311 1.00 20.51 C ATOM 2337 N LEU C 43 18.854 7.816 -33.583 1.00 35.71 N ATOM 2338 CA LEU C 43 18.979 8.741 -34.692 1.00 34.52 C ATOM 2339 C LEU C 43 18.251 10.024 -34.328 1.00 42.57 C ATOM 2340 O LEU C 43 17.098 9.976 -33.918 1.00 40.55 O ATOM 2341 CB LEU C 43 18.340 8.127 -35.928 1.00 38.23 C ATOM 2342 CG LEU C 43 18.292 8.991 -37.175 1.00 37.79 C ATOM 2343 CD1 LEU C 43 19.709 9.240 -37.664 1.00 28.44 C ATOM 2344 CD2 LEU C 43 17.455 8.299 -38.238 1.00 38.69 C HETATM 2345 N MSE C 44 18.920 11.167 -34.479 1.00 47.24 N HETATM 2346 CA MSE C 44 18.314 12.458 -34.156 1.00 42.39 C HETATM 2347 C MSE C 44 18.771 13.577 -35.059 1.00 44.23 C HETATM 2348 O MSE C 44 19.879 13.568 -35.573 1.00 43.64 O HETATM 2349 CB MSE C 44 18.653 12.892 -32.736 1.00 34.55 C HETATM 2350 CG MSE C 44 18.120 12.011 -31.638 1.00 49.64 C HETATM 2351 SE MSE C 44 18.743 12.668 -29.917 1.00 60.20 HETATM 2352 CE MSE C 44 20.481 11.797 -29.906 1.00 48.92 C ATOM 2353 N ASP C 45 17.892 14.559 -35.212 1.00 46.13 N ATOM 2354 CA ASP C 45 18.156 15.747 -35.993 1.00 44.09 C ATOM 2355 C ASP C 45 18.208 16.848 -34.942 1.00 43.79 C ATOM 2356 O ASP C 45 17.177 17.205 -34.380 1.00 43.95 O ATOM 2357 CB ASP C 45 17.007 16.011 -36.956 1.00 46.21 C ATOM 2358 CG ASP C 45 17.143 17.337 -37.660 1.00 53.05 C ATOM 2359 OD1 ASP C 45 18.135 17.503 -38.416 1.00 50.11 O ATOM 2360 OD2 ASP C 45 16.257 18.201 -37.462 1.00 50.28 O ATOM 2361 N ILE C 46 19.394 17.382 -34.670 1.00 42.21 N ATOM 2362 CA ILE C 46 19.529 18.413 -33.644 1.00 38.21 C ATOM 2363 C ILE C 46 20.275 19.674 -34.069 1.00 40.61 C ATOM 2364 O ILE C 46 20.952 19.697 -35.099 1.00 34.61 O ATOM 2365 CB ILE C 46 20.257 17.852 -32.404 1.00 30.56 C ATOM 2366 CG1 ILE C 46 21.679 17.414 -32.793 1.00 40.33 C ATOM 2367 CG2 ILE C 46 19.481 16.694 -31.836 1.00 23.42 C ATOM 2368 CD1 ILE C 46 22.615 17.143 -31.625 1.00 43.52 C ATOM 2369 N PRO C 47 20.146 20.754 -33.277 1.00 40.72 N ATOM 2370 CA PRO C 47 20.830 22.017 -33.581 1.00 38.97 C ATOM 2371 C PRO C 47 22.340 21.802 -33.387 1.00 42.48 C ATOM 2372 O PRO C 47 22.771 21.313 -32.347 1.00 50.40 O ATOM 2373 CB PRO C 47 20.247 22.976 -32.549 1.00 38.97 C ATOM 2374 CG PRO C 47 18.876 22.411 -32.292 1.00 32.67 C ATOM 2375 CD PRO C 47 19.158 20.941 -32.197 1.00 34.33 C ATOM 2376 N ALA C 48 23.139 22.157 -34.386 1.00 45.64 N ATOM 2377 CA ALA C 48 24.576 21.972 -34.305 1.00 44.50 C ATOM 2378 C ALA C 48 25.150 22.389 -32.947 1.00 48.05 C ATOM 2379 O ALA C 48 26.000 21.691 -32.398 1.00 58.77 O ATOM 2380 CB ALA C 48 25.257 22.743 -35.424 1.00 45.66 C ATOM 2381 N GLU C 49 24.664 23.507 -32.406 1.00 53.16 N ATOM 2382 CA GLU C 49 25.132 24.056 -31.125 1.00 56.37 C ATOM 2383 C GLU C 49 25.094 23.048 -29.955 1.00 58.58 C ATOM 2384 O GLU C 49 26.066 22.939 -29.203 1.00 59.22 O ATOM 2385 CB GLU C 49 24.310 25.310 -30.757 1.00 59.51 C ATOM 2386 CG GLU C 49 22.823 25.020 -30.464 1.00 76.23 C ATOM 2387 CD GLU C 49 22.201 25.982 -29.434 1.00 82.96 C ATOM 2388 OE1 GLU C 49 22.823 26.181 -28.340 1.00 78.91 O ATOM 2389 OE2 GLU C 49 21.073 26.510 -29.701 1.00 85.20 O ATOM 2390 N LYS C 50 23.983 22.322 -29.808 1.00 50.84 N ATOM 2391 CA LYS C 50 23.825 21.323 -28.743 1.00 52.06 C ATOM 2392 C LYS C 50 25.028 20.352 -28.549 1.00 55.43 C ATOM 2393 O LYS C 50 25.143 19.722 -27.472 1.00 52.61 O ATOM 2394 CB LYS C 50 22.562 20.490 -28.988 1.00 55.96 C ATOM 2395 CG LYS C 50 21.244 21.206 -28.707 1.00 59.33 C ATOM 2396 CD LYS C 50 20.965 21.264 -27.198 1.00 65.71 C ATOM 2397 CE LYS C 50 19.629 21.966 -26.857 1.00 62.95 C ATOM 2398 NZ LYS C 50 19.670 23.441 -27.121 1.00 53.63 N ATOM 2399 N ILE C 51 25.892 20.191 -29.566 1.00 49.36 N ATOM 2400 CA ILE C 51 27.071 19.323 -29.424 1.00 50.12 C ATOM 2401 C ILE C 51 28.378 20.042 -29.728 1.00 51.99 C ATOM 2402 O ILE C 51 29.352 19.430 -30.181 1.00 52.10 O ATOM 2403 CB ILE C 51 27.035 18.041 -30.321 1.00 49.22 C ATOM 2404 CG1 ILE C 51 27.062 18.418 -31.809 1.00 47.35 C ATOM 2405 CG2 ILE C 51 25.847 17.163 -29.938 1.00 42.22 C ATOM 2406 CD1 ILE C 51 27.312 17.219 -32.718 1.00 44.40 C ATOM 2407 N GLY C 52 28.394 21.347 -29.482 1.00 52.13 N ATOM 2408 CA GLY C 52 29.611 22.112 -29.676 1.00 55.53 C ATOM 2409 C GLY C 52 29.910 22.674 -31.049 1.00 53.27 C ATOM 2410 O GLY C 52 30.580 23.711 -31.170 1.00 48.31 O ATOM 2411 N ILE C 53 29.459 22.013 -32.099 1.00 54.20 N ATOM 2412 CA ILE C 53 29.743 22.574 -33.402 1.00 54.57 C ATOM 2413 C ILE C 53 28.882 23.838 -33.546 1.00 60.79 C ATOM 2414 O ILE C 53 27.688 23.854 -33.204 1.00 60.39 O ATOM 2415 CB ILE C 53 29.479 21.556 -34.538 1.00 46.30 C ATOM 2416 CG1 ILE C 53 29.619 22.264 -35.888 1.00 50.03 C ATOM 2417 CG2 ILE C 53 28.160 20.834 -34.313 1.00 45.57 C ATOM 2418 CD1 ILE C 53 31.045 22.826 -36.152 1.00 57.82 C ATOM 2419 N ASN C 54 29.522 24.910 -34.007 1.00 68.53 N ATOM 2420 CA ASN C 54 28.892 26.229 -34.184 1.00 75.91 C ATOM 2421 C ASN C 54 28.015 26.348 -35.452 1.00 80.02 C ATOM 2422 O ASN C 54 27.533 25.331 -35.973 1.00 85.86 O ATOM 2423 CB ASN C 54 29.988 27.305 -34.194 1.00 77.46 C ATOM 2424 CG ASN C 54 31.188 26.910 -35.078 1.00 82.72 C ATOM 2425 OD1 ASN C 54 31.021 26.562 -36.277 1.00 78.26 O ATOM 2426 ND2 ASN C 54 32.403 26.965 -34.498 1.00 79.22 N ATOM 2427 N GLY C 55 27.819 27.576 -35.953 1.00 77.21 N ATOM 2428 CA GLY C 55 26.976 27.782 -37.130 1.00 75.07 C ATOM 2429 C GLY C 55 25.503 27.546 -36.789 1.00 74.80 C ATOM 2430 O GLY C 55 25.156 26.521 -36.188 1.00 77.42 O ATOM 2431 N ASP C 56 24.623 28.480 -37.160 1.00 73.41 N ATOM 2432 CA ASP C 56 23.186 28.333 -36.854 1.00 71.86 C ATOM 2433 C ASP C 56 22.574 27.334 -37.839 1.00 63.80 C ATOM 2434 O ASP C 56 21.722 27.678 -38.667 1.00 65.90 O ATOM 2435 CB ASP C 56 22.465 29.701 -36.935 1.00 80.70 C ATOM 2436 CG ASP C 56 21.021 29.653 -36.363 1.00 93.04 C ATOM 2437 OD1 ASP C 56 20.390 30.747 -36.212 1.00 94.93 O ATOM 2438 OD2 ASP C 56 20.502 28.524 -36.070 1.00 91.50 O ATOM 2439 N LYS C 57 23.019 26.088 -37.715 1.00 56.43 N ATOM 2440 CA LYS C 57 22.575 25.021 -38.587 1.00 49.05 C ATOM 2441 C LYS C 57 22.184 23.774 -37.800 1.00 43.09 C ATOM 2442 O LYS C 57 22.580 23.629 -36.650 1.00 42.41 O ATOM 2443 CB LYS C 57 23.705 24.659 -39.523 1.00 43.99 C ATOM 2444 CG LYS C 57 24.896 24.122 -38.781 1.00 45.52 C ATOM 2445 CD LYS C 57 25.751 23.278 -39.719 1.00 40.80 C ATOM 2446 CE LYS C 57 26.927 22.682 -38.956 1.00 49.94 C ATOM 2447 NZ LYS C 57 27.685 21.652 -39.736 1.00 54.75 N ATOM 2448 N ARG C 58 21.413 22.876 -38.417 1.00 40.61 N ATOM 2449 CA ARG C 58 21.014 21.629 -37.755 1.00 34.62 C ATOM 2450 C ARG C 58 22.003 20.542 -38.231 1.00 33.52 C ATOM 2451 O ARG C 58 22.744 20.736 -39.206 1.00 28.37 O ATOM 2452 CB ARG C 58 19.601 21.191 -38.178 1.00 37.80 C ATOM 2453 CG ARG C 58 18.525 22.278 -38.430 1.00 38.55 C ATOM 2454 CD ARG C 58 17.634 22.482 -37.234 1.00 22.78 C ATOM 2455 NE ARG C 58 17.290 21.198 -36.623 1.00 38.09 N ATOM 2456 CZ ARG C 58 16.608 21.062 -35.485 1.00 42.85 C ATOM 2457 NH1 ARG C 58 16.174 22.123 -34.810 1.00 34.13 N ATOM 2458 NH2 ARG C 58 16.361 19.854 -35.006 1.00 40.85 N ATOM 2459 N VAL C 59 22.001 19.402 -37.545 1.00 33.71 N ATOM 2460 CA VAL C 59 22.854 18.243 -37.889 1.00 33.85 C ATOM 2461 C VAL C 59 22.132 16.906 -37.597 1.00 37.15 C ATOM 2462 O VAL C 59 21.274 16.837 -36.726 1.00 42.36 O ATOM 2463 CB VAL C 59 24.208 18.240 -37.090 1.00 28.21 C ATOM 2464 CG1 VAL C 59 25.108 19.361 -37.546 1.00 33.76 C ATOM 2465 CG2 VAL C 59 23.944 18.364 -35.613 1.00 29.44 C ATOM 2466 N ASP C 60 22.460 15.855 -38.334 1.00 35.71 N ATOM 2467 CA ASP C 60 21.858 14.552 -38.069 1.00 44.45 C ATOM 2468 C ASP C 60 22.936 13.700 -37.424 1.00 46.15 C ATOM 2469 O ASP C 60 24.021 13.526 -37.994 1.00 49.93 O ATOM 2470 CB ASP C 60 21.365 13.885 -39.349 1.00 50.07 C ATOM 2471 CG ASP C 60 19.915 14.205 -39.645 1.00 62.16 C ATOM 2472 OD1 ASP C 60 19.394 15.185 -39.057 1.00 57.49 O ATOM 2473 OD2 ASP C 60 19.302 13.483 -40.470 1.00 67.72 O ATOM 2474 N VAL C 61 22.635 13.172 -36.242 1.00 37.33 N ATOM 2475 CA VAL C 61 23.587 12.372 -35.486 1.00 28.90 C ATOM 2476 C VAL C 61 22.977 11.042 -35.021 1.00 32.60 C ATOM 2477 O VAL C 61 21.759 10.886 -34.973 1.00 25.73 O ATOM 2478 CB VAL C 61 24.102 13.189 -34.250 1.00 21.22 C ATOM 2479 CG1 VAL C 61 24.549 14.568 -34.710 1.00 31.76 C ATOM 2480 CG2 VAL C 61 23.007 13.335 -33.176 1.00 13.37 C ATOM 2481 N ILE C 62 23.830 10.070 -34.719 1.00 33.85 N ATOM 2482 CA ILE C 62 23.347 8.799 -34.206 1.00 31.80 C ATOM 2483 C ILE C 62 24.120 8.531 -32.938 1.00 30.08 C ATOM 2484 O ILE C 62 25.314 8.825 -32.854 1.00 26.57 O ATOM 2485 CB ILE C 62 23.570 7.603 -35.148 1.00 28.82 C ATOM 2486 CG1 ILE C 62 25.022 7.573 -35.609 1.00 36.79 C ATOM 2487 CG2 ILE C 62 22.577 7.655 -36.278 1.00 33.24 C ATOM 2488 CD1 ILE C 62 25.428 6.280 -36.243 1.00 33.47 C ATOM 2489 N ASP C 63 23.420 7.993 -31.947 1.00 37.76 N ATOM 2490 CA ASP C 63 24.018 7.653 -30.670 1.00 34.63 C ATOM 2491 C ASP C 63 24.185 6.158 -30.635 1.00 32.89 C ATOM 2492 O ASP C 63 23.260 5.404 -30.947 1.00 36.01 O ATOM 2493 CB ASP C 63 23.142 8.139 -29.533 1.00 34.97 C ATOM 2494 CG ASP C 63 23.462 9.562 -29.146 1.00 39.94 C ATOM 2495 OD1 ASP C 63 23.837 10.358 -30.038 1.00 45.35 O ATOM 2496 OD2 ASP C 63 23.330 9.905 -27.962 1.00 54.16 O ATOM 2497 N LEU C 64 25.390 5.749 -30.269 1.00 26.51 N ATOM 2498 CA LEU C 64 25.769 4.348 -30.203 1.00 36.40 C ATOM 2499 C LEU C 64 26.355 4.021 -28.833 1.00 36.47 C ATOM 2500 O LEU C 64 26.949 4.882 -28.194 1.00 36.69 O ATOM 2501 CB LEU C 64 26.795 4.066 -31.304 1.00 33.78 C ATOM 2502 CG LEU C 64 26.296 3.572 -32.667 1.00 47.21 C ATOM 2503 CD1 LEU C 64 25.010 4.249 -33.076 1.00 43.35 C ATOM 2504 CD2 LEU C 64 27.387 3.807 -33.701 1.00 50.69 C ATOM 2505 N LYS C 65 26.191 2.784 -28.378 1.00 41.23 N ATOM 2506 CA LYS C 65 26.716 2.383 -27.072 1.00 42.41 C ATOM 2507 C LYS C 65 28.098 1.781 -27.229 1.00 34.82 C ATOM 2508 O LYS C 65 28.351 1.005 -28.144 1.00 42.42 O ATOM 2509 CB LYS C 65 25.781 1.367 -26.417 1.00 50.84 C ATOM 2510 CG LYS C 65 26.056 1.067 -24.957 1.00 58.34 C ATOM 2511 CD LYS C 65 25.091 -0.023 -24.469 1.00 62.35 C ATOM 2512 CE LYS C 65 24.438 0.311 -23.121 1.00 67.27 C ATOM 2513 NZ LYS C 65 25.411 0.581 -22.021 1.00 62.16 N ATOM 2514 N VAL C 66 29.008 2.154 -26.347 1.00 38.96 N ATOM 2515 CA VAL C 66 30.355 1.620 -26.429 1.00 39.18 C ATOM 2516 C VAL C 66 30.825 1.243 -25.038 1.00 40.22 C ATOM 2517 O VAL C 66 30.130 1.485 -24.049 1.00 35.86 O ATOM 2518 CB VAL C 66 31.340 2.644 -27.052 1.00 42.87 C ATOM 2519 CG1 VAL C 66 30.813 3.103 -28.410 1.00 45.16 C ATOM 2520 CG2 VAL C 66 31.509 3.833 -26.144 1.00 40.53 C ATOM 2521 N GLN C 67 31.998 0.627 -24.964 1.00 44.60 N ATOM 2522 CA GLN C 67 32.556 0.237 -23.677 1.00 41.55 C ATOM 2523 C GLN C 67 33.160 1.473 -23.037 1.00 38.80 C ATOM 2524 O GLN C 67 33.921 2.206 -23.662 1.00 36.11 O ATOM 2525 CB GLN C 67 33.606 -0.845 -23.868 1.00 47.13 C ATOM 2526 CG GLN C 67 33.038 -2.148 -24.378 1.00 56.61 C ATOM 2527 CD GLN C 67 33.840 -2.707 -25.530 1.00 73.63 C ATOM 2528 OE1 GLN C 67 35.002 -3.089 -25.367 1.00 73.80 O ATOM 2529 NE2 GLN C 67 33.229 -2.740 -26.715 1.00 80.13 N ATOM 2530 N PRO C 68 32.823 1.717 -21.769 1.00 41.36 N ATOM 2531 CA PRO C 68 33.311 2.872 -21.019 1.00 40.42 C ATOM 2532 C PRO C 68 34.807 3.192 -21.146 1.00 43.13 C ATOM 2533 O PRO C 68 35.198 4.356 -21.028 1.00 45.20 O ATOM 2534 CB PRO C 68 32.878 2.551 -19.589 1.00 44.24 C ATOM 2535 CG PRO C 68 32.845 1.055 -19.575 1.00 38.24 C ATOM 2536 CD PRO C 68 32.175 0.757 -20.863 1.00 34.39 C ATOM 2537 N GLU C 69 35.657 2.196 -21.392 1.00 46.04 N ATOM 2538 CA GLU C 69 37.089 2.490 -21.527 1.00 43.17 C ATOM 2539 C GLU C 69 37.454 2.997 -22.924 1.00 45.27 C ATOM 2540 O GLU C 69 38.604 3.363 -23.177 1.00 43.05 O ATOM 2541 CB GLU C 69 37.948 1.266 -21.177 1.00 39.50 C ATOM 2542 CG GLU C 69 37.983 0.132 -22.194 1.00 35.82 C ATOM 2543 CD GLU C 69 36.930 -0.924 -21.950 1.00 51.79 C ATOM 2544 OE1 GLU C 69 37.042 -2.016 -22.551 1.00 58.53 O ATOM 2545 OE2 GLU C 69 35.985 -0.672 -21.166 1.00 50.65 O ATOM 2546 N LEU C 70 36.474 3.030 -23.832 1.00 50.04 N ATOM 2547 CA LEU C 70 36.710 3.516 -25.193 1.00 46.55 C ATOM 2548 C LEU C 70 36.097 4.895 -25.454 1.00 41.32 C ATOM 2549 O LEU C 70 36.437 5.541 -26.440 1.00 40.60 O ATOM 2550 CB LEU C 70 36.160 2.517 -26.201 1.00 38.89 C ATOM 2551 CG LEU C 70 36.868 1.171 -26.181 1.00 44.24 C ATOM 2552 CD1 LEU C 70 36.148 0.207 -27.099 1.00 39.28 C ATOM 2553 CD2 LEU C 70 38.326 1.344 -26.600 1.00 38.37 C ATOM 2554 N VAL C 71 35.210 5.348 -24.569 1.00 41.08 N ATOM 2555 CA VAL C 71 34.569 6.636 -24.752 1.00 35.67 C ATOM 2556 C VAL C 71 35.562 7.776 -24.826 1.00 39.52 C ATOM 2557 O VAL C 71 35.407 8.679 -25.641 1.00 48.54 O ATOM 2558 CB VAL C 71 33.569 6.918 -23.639 1.00 27.67 C ATOM 2559 CG1 VAL C 71 32.946 8.278 -23.829 1.00 31.38 C ATOM 2560 CG2 VAL C 71 32.493 5.867 -23.642 1.00 25.62 C ATOM 2561 N GLY C 72 36.586 7.728 -23.982 1.00 44.58 N ATOM 2562 CA GLY C 72 37.597 8.771 -23.972 1.00 42.91 C ATOM 2563 C GLY C 72 38.391 8.863 -25.266 1.00 48.75 C ATOM 2564 O GLY C 72 38.604 9.960 -25.785 1.00 43.95 O ATOM 2565 N SER C 73 38.831 7.715 -25.780 1.00 47.98 N ATOM 2566 CA SER C 73 39.606 7.641 -27.021 1.00 47.09 C ATOM 2567 C SER C 73 38.778 7.917 -28.285 1.00 47.23 C ATOM 2568 O SER C 73 39.236 8.609 -29.198 1.00 45.67 O ATOM 2569 CB SER C 73 40.271 6.266 -27.128 1.00 48.72 C ATOM 2570 OG SER C 73 39.323 5.227 -26.927 1.00 65.78 O ATOM 2571 N LEU C 74 37.566 7.372 -28.342 1.00 45.77 N ATOM 2572 CA LEU C 74 36.692 7.594 -29.486 1.00 42.91 C ATOM 2573 C LEU C 74 36.384 9.077 -29.620 1.00 42.32 C ATOM 2574 O LEU C 74 36.564 9.646 -30.683 1.00 42.77 O ATOM 2575 CB LEU C 74 35.387 6.814 -29.319 1.00 40.31 C ATOM 2576 CG LEU C 74 35.175 5.575 -30.198 1.00 39.91 C ATOM 2577 CD1 LEU C 74 36.386 4.668 -30.123 1.00 47.37 C ATOM 2578 CD2 LEU C 74 33.927 4.830 -29.755 1.00 44.50 C ATOM 2579 N ARG C 75 35.929 9.698 -28.535 1.00 39.79 N ATOM 2580 CA ARG C 75 35.590 11.122 -28.534 1.00 43.91 C ATOM 2581 C ARG C 75 36.689 12.023 -29.059 1.00 44.68 C ATOM 2582 O ARG C 75 36.433 13.172 -29.408 1.00 52.02 O ATOM 2583 CB ARG C 75 35.208 11.592 -27.125 1.00 46.56 C ATOM 2584 CG ARG C 75 33.792 11.226 -26.712 1.00 45.99 C ATOM 2585 CD ARG C 75 33.528 11.486 -25.233 1.00 41.96 C ATOM 2586 NE ARG C 75 33.670 12.889 -24.854 1.00 56.10 N ATOM 2587 CZ ARG C 75 33.403 13.358 -23.639 1.00 58.83 C ATOM 2588 NH1 ARG C 75 32.979 12.544 -22.684 1.00 50.36 N ATOM 2589 NH2 ARG C 75 33.569 14.643 -23.377 1.00 63.04 N ATOM 2590 N LYS C 76 37.910 11.504 -29.097 1.00 49.83 N ATOM 2591 CA LYS C 76 39.067 12.254 -29.585 1.00 55.25 C ATOM 2592 C LYS C 76 39.089 12.273 -31.115 1.00 57.65 C ATOM 2593 O LYS C 76 39.738 13.125 -31.726 1.00 57.05 O ATOM 2594 CB LYS C 76 40.373 11.634 -29.044 1.00 56.25 C ATOM 2595 CG LYS C 76 40.977 12.370 -27.835 1.00 50.84 C ATOM 2596 CD LYS C 76 41.863 11.462 -26.979 1.00 60.32 C ATOM 2597 CE LYS C 76 42.977 10.764 -27.773 1.00 65.58 C ATOM 2598 NZ LYS C 76 43.594 9.599 -27.003 1.00 73.14 N ATOM 2599 N LYS C 77 38.394 11.325 -31.736 1.00 59.69 N ATOM 2600 CA LYS C 77 38.354 11.292 -33.188 1.00 59.27 C ATOM 2601 C LYS C 77 37.481 12.422 -33.699 1.00 60.42 C ATOM 2602 O LYS C 77 36.642 12.969 -32.966 1.00 51.70 O ATOM 2603 CB LYS C 77 37.802 9.964 -33.717 1.00 55.85 C ATOM 2604 CG LYS C 77 38.789 8.835 -33.634 1.00 57.93 C ATOM 2605 CD LYS C 77 38.296 7.615 -34.363 1.00 53.12 C ATOM 2606 CE LYS C 77 39.345 6.521 -34.302 1.00 59.62 C ATOM 2607 NZ LYS C 77 38.924 5.328 -35.081 1.00 71.60 N ATOM 2608 N PRO C 78 37.708 12.823 -34.958 1.00 60.40 N ATOM 2609 CA PRO C 78 36.917 13.892 -35.549 1.00 60.75 C ATOM 2610 C PRO C 78 35.592 13.306 -36.007 1.00 60.55 C ATOM 2611 O PRO C 78 35.550 12.252 -36.656 1.00 54.41 O ATOM 2612 CB PRO C 78 37.801 14.372 -36.701 1.00 64.65 C ATOM 2613 CG PRO C 78 38.545 13.134 -37.091 1.00 58.49 C ATOM 2614 CD PRO C 78 38.914 12.556 -35.764 1.00 60.43 C ATOM 2615 N GLY C 79 34.507 13.983 -35.639 1.00 57.35 N ATOM 2616 CA GLY C 79 33.181 13.523 -36.018 1.00 58.40 C ATOM 2617 C GLY C 79 32.437 12.828 -34.890 1.00 52.15 C ATOM 2618 O GLY C 79 31.233 12.602 -34.990 1.00 50.61 O ATOM 2619 N ILE C 80 33.163 12.488 -33.827 1.00 48.73 N ATOM 2620 CA ILE C 80 32.601 11.819 -32.661 1.00 44.07 C ATOM 2621 C ILE C 80 32.603 12.827 -31.527 1.00 44.49 C ATOM 2622 O ILE C 80 33.625 13.452 -31.247 1.00 43.88 O ATOM 2623 CB ILE C 80 33.441 10.587 -32.284 1.00 37.35 C ATOM 2624 CG1 ILE C 80 33.422 9.590 -33.447 1.00 38.37 C ATOM 2625 CG2 ILE C 80 32.891 9.934 -31.028 1.00 37.35 C ATOM 2626 CD1 ILE C 80 34.426 8.455 -33.340 1.00 22.21 C ATOM 2627 N TYR C 81 31.442 12.990 -30.895 1.00 42.63 N ATOM 2628 CA TYR C 81 31.262 13.932 -29.798 1.00 43.31 C ATOM 2629 C TYR C 81 30.678 13.200 -28.590 1.00 46.42 C ATOM 2630 O TYR C 81 30.327 12.028 -28.686 1.00 45.11 O ATOM 2631 CB TYR C 81 30.306 15.059 -30.226 1.00 41.08 C ATOM 2632 CG TYR C 81 30.724 15.802 -31.476 1.00 46.57 C ATOM 2633 CD1 TYR C 81 30.656 15.194 -32.732 1.00 45.30 C ATOM 2634 CD2 TYR C 81 31.247 17.098 -31.398 1.00 49.94 C ATOM 2635 CE1 TYR C 81 31.108 15.852 -33.880 1.00 48.35 C ATOM 2636 CE2 TYR C 81 31.698 17.772 -32.542 1.00 45.38 C ATOM 2637 CZ TYR C 81 31.631 17.142 -33.777 1.00 48.92 C ATOM 2638 OH TYR C 81 32.121 17.775 -34.898 1.00 36.75 O ATOM 2639 N PRO C 82 30.588 13.884 -27.436 1.00 48.38 N ATOM 2640 CA PRO C 82 30.042 13.320 -26.200 1.00 46.82 C ATOM 2641 C PRO C 82 28.563 12.962 -26.389 1.00 51.64 C ATOM 2642 O PRO C 82 27.840 13.651 -27.104 1.00 53.70 O ATOM 2643 CB PRO C 82 30.227 14.457 -25.201 1.00 48.11 C ATOM 2644 CG PRO C 82 31.471 15.114 -25.688 1.00 50.78 C ATOM 2645 CD PRO C 82 31.220 15.188 -27.166 1.00 52.44 C ATOM 2646 N ALA C 83 28.111 11.896 -25.746 1.00 46.07 N ATOM 2647 CA ALA C 83 26.724 11.481 -25.882 1.00 43.00 C ATOM 2648 C ALA C 83 25.733 12.602 -25.611 1.00 43.70 C ATOM 2649 O ALA C 83 25.813 13.292 -24.597 1.00 50.59 O ATOM 2650 CB ALA C 83 26.436 10.316 -24.958 1.00 49.79 C ATOM 2651 N TYR C 84 24.789 12.767 -26.528 1.00 39.61 N ATOM 2652 CA TYR C 84 23.757 13.780 -26.396 1.00 38.76 C ATOM 2653 C TYR C 84 22.443 13.092 -26.042 1.00 39.84 C ATOM 2654 O TYR C 84 21.998 12.200 -26.755 1.00 38.39 O ATOM 2655 CB TYR C 84 23.592 14.537 -27.705 1.00 43.37 C ATOM 2656 CG TYR C 84 22.510 15.587 -27.651 1.00 44.92 C ATOM 2657 CD1 TYR C 84 22.689 16.764 -26.927 1.00 42.55 C ATOM 2658 CD2 TYR C 84 21.293 15.390 -28.298 1.00 48.75 C ATOM 2659 CE1 TYR C 84 21.684 17.716 -26.853 1.00 51.57 C ATOM 2660 CE2 TYR C 84 20.278 16.333 -28.226 1.00 52.82 C ATOM 2661 CZ TYR C 84 20.476 17.490 -27.503 1.00 53.80 C ATOM 2662 OH TYR C 84 19.463 18.411 -27.420 1.00 63.51 O ATOM 2663 N HIS C 85 21.828 13.523 -24.944 1.00 40.37 N ATOM 2664 CA HIS C 85 20.570 12.958 -24.441 1.00 47.37 C ATOM 2665 C HIS C 85 20.709 11.523 -23.941 1.00 44.61 C ATOM 2666 O HIS C 85 19.715 10.856 -23.677 1.00 48.29 O ATOM 2667 CB HIS C 85 19.453 13.007 -25.500 1.00 62.22 C ATOM 2668 CG HIS C 85 18.653 14.280 -25.499 1.00 75.74 C ATOM 2669 ND1 HIS C 85 17.404 14.368 -26.083 1.00 79.98 N ATOM 2670 CD2 HIS C 85 18.945 15.522 -25.049 1.00 71.04 C ATOM 2671 CE1 HIS C 85 16.967 15.612 -25.999 1.00 83.21 C ATOM 2672 NE2 HIS C 85 17.883 16.333 -25.377 1.00 80.12 N HETATM 2673 N MSE C 86 21.941 11.050 -23.808 1.00 40.94 N HETATM 2674 CA MSE C 86 22.181 9.707 -23.316 1.00 40.22 C HETATM 2675 C MSE C 86 23.300 9.793 -22.308 1.00 34.94 C HETATM 2676 O MSE C 86 23.914 10.842 -22.155 1.00 50.33 O HETATM 2677 CB MSE C 86 22.570 8.771 -24.461 1.00 45.65 C HETATM 2678 CG MSE C 86 21.465 8.570 -25.493 1.00 56.07 C HETATM 2679 SE MSE C 86 19.948 7.570 -24.764 1.00 73.30 HETATM 2680 CE MSE C 86 20.451 5.802 -25.453 1.00 61.65 C ATOM 2681 N ASN C 87 23.564 8.691 -21.625 1.00 30.68 N ATOM 2682 CA ASN C 87 24.608 8.643 -20.615 1.00 37.19 C ATOM 2683 C ASN C 87 25.983 8.800 -21.242 1.00 41.34 C ATOM 2684 O ASN C 87 26.392 7.995 -22.080 1.00 46.30 O ATOM 2685 CB ASN C 87 24.525 7.320 -19.870 1.00 43.65 C ATOM 2686 CG ASN C 87 25.483 7.252 -18.710 1.00 36.90 C ATOM 2687 OD1 ASN C 87 26.695 7.094 -18.884 1.00 38.91 O ATOM 2688 ND2 ASN C 87 24.942 7.373 -17.506 1.00 50.96 N ATOM 2689 N LYS C 88 26.720 9.812 -20.811 1.00 40.34 N ATOM 2690 CA LYS C 88 28.032 10.059 -21.398 1.00 45.14 C ATOM 2691 C LYS C 88 29.149 9.017 -21.163 1.00 47.84 C ATOM 2692 O LYS C 88 30.090 8.932 -21.961 1.00 47.64 O ATOM 2693 CB LYS C 88 28.509 11.455 -20.983 1.00 42.60 C ATOM 2694 CG LYS C 88 27.469 12.557 -21.196 1.00 43.35 C ATOM 2695 CD LYS C 88 28.156 13.844 -21.674 1.00 47.77 C ATOM 2696 CE LYS C 88 27.368 15.149 -21.319 1.00 55.93 C ATOM 2697 NZ LYS C 88 27.421 15.584 -19.837 1.00 55.95 N ATOM 2698 N GLU C 89 29.045 8.222 -20.099 1.00 42.25 N ATOM 2699 CA GLU C 89 30.061 7.220 -19.806 1.00 41.09 C ATOM 2700 C GLU C 89 29.844 5.928 -20.583 1.00 43.48 C ATOM 2701 O GLU C 89 30.719 5.062 -20.625 1.00 44.26 O ATOM 2702 CB GLU C 89 30.081 6.931 -18.309 1.00 47.01 C ATOM 2703 CG GLU C 89 30.576 8.087 -17.476 1.00 59.51 C ATOM 2704 CD GLU C 89 30.311 7.887 -15.999 1.00 74.16 C ATOM 2705 OE1 GLU C 89 30.767 6.865 -15.437 1.00 68.94 O ATOM 2706 OE2 GLU C 89 29.639 8.757 -15.402 1.00 80.88 O ATOM 2707 N HIS C 90 28.679 5.801 -21.208 1.00 39.98 N ATOM 2708 CA HIS C 90 28.372 4.600 -21.979 1.00 38.26 C ATOM 2709 C HIS C 90 27.986 4.859 -23.436 1.00 39.05 C ATOM 2710 O HIS C 90 28.032 3.944 -24.267 1.00 38.22 O ATOM 2711 CB HIS C 90 27.258 3.830 -21.287 1.00 40.43 C ATOM 2712 CG HIS C 90 27.684 3.209 -20.000 1.00 40.47 C ATOM 2713 ND1 HIS C 90 28.372 2.017 -19.950 1.00 47.73 N ATOM 2714 CD2 HIS C 90 27.553 3.632 -18.724 1.00 32.64 C ATOM 2715 CE1 HIS C 90 28.644 1.730 -18.690 1.00 50.99 C ATOM 2716 NE2 HIS C 90 28.160 2.694 -17.926 1.00 39.54 N ATOM 2717 N TRP C 91 27.602 6.096 -23.742 1.00 33.01 N ATOM 2718 CA TRP C 91 27.202 6.422 -25.097 1.00 32.53 C ATOM 2719 C TRP C 91 28.118 7.417 -25.797 1.00 30.60 C ATOM 2720 O TRP C 91 28.899 8.130 -25.170 1.00 25.93 O ATOM 2721 CB TRP C 91 25.733 6.894 -25.137 1.00 30.98 C ATOM 2722 CG TRP C 91 24.752 5.789 -24.778 1.00 33.31 C ATOM 2723 CD1 TRP C 91 24.504 5.289 -23.528 1.00 36.60 C ATOM 2724 CD2 TRP C 91 23.974 4.990 -25.688 1.00 37.13 C ATOM 2725 NE1 TRP C 91 23.632 4.228 -23.604 1.00 45.44 N ATOM 2726 CE2 TRP C 91 23.290 4.021 -24.920 1.00 42.69 C ATOM 2727 CE3 TRP C 91 23.790 4.995 -27.080 1.00 40.03 C ATOM 2728 CZ2 TRP C 91 22.434 3.065 -25.497 1.00 36.66 C ATOM 2729 CZ3 TRP C 91 22.935 4.043 -27.652 1.00 39.60 C ATOM 2730 CH2 TRP C 91 22.274 3.097 -26.861 1.00 35.16 C ATOM 2731 N ILE C 92 27.988 7.431 -27.118 1.00 31.36 N ATOM 2732 CA ILE C 92 28.771 8.248 -28.027 1.00 23.72 C ATOM 2733 C ILE C 92 27.830 8.827 -29.052 1.00 24.25 C ATOM 2734 O ILE C 92 26.844 8.198 -29.409 1.00 25.89 O ATOM 2735 CB ILE C 92 29.812 7.342 -28.721 1.00 26.82 C ATOM 2736 CG1 ILE C 92 31.026 7.219 -27.830 1.00 33.98 C ATOM 2737 CG2 ILE C 92 30.251 7.882 -30.042 1.00 28.01 C ATOM 2738 CD1 ILE C 92 31.632 8.561 -27.562 1.00 42.72 C ATOM 2739 N THR C 93 28.122 10.035 -29.519 1.00 31.46 N ATOM 2740 CA THR C 93 27.279 10.663 -30.542 1.00 37.57 C ATOM 2741 C THR C 93 28.120 10.816 -31.811 1.00 39.34 C ATOM 2742 O THR C 93 29.119 11.533 -31.806 1.00 41.14 O ATOM 2743 CB THR C 93 26.778 12.066 -30.113 1.00 26.64 C ATOM 2744 OG1 THR C 93 25.830 11.931 -29.049 1.00 42.44 O ATOM 2745 CG2 THR C 93 26.118 12.774 -31.276 1.00 27.77 C ATOM 2746 N VAL C 94 27.736 10.132 -32.888 1.00 39.33 N ATOM 2747 CA VAL C 94 28.487 10.227 -34.132 1.00 32.31 C ATOM 2748 C VAL C 94 27.740 11.141 -35.083 1.00 31.98 C ATOM 2749 O VAL C 94 26.535 10.997 -35.304 1.00 25.35 O ATOM 2750 CB VAL C 94 28.715 8.839 -34.800 1.00 29.83 C ATOM 2751 CG1 VAL C 94 29.538 8.997 -36.069 1.00 28.85 C ATOM 2752 CG2 VAL C 94 29.443 7.910 -33.840 1.00 24.88 C ATOM 2753 N LEU C 95 28.472 12.094 -35.644 1.00 36.79 N ATOM 2754 CA LEU C 95 27.887 13.056 -36.557 1.00 35.45 C ATOM 2755 C LEU C 95 27.774 12.488 -37.978 1.00 38.53 C ATOM 2756 O LEU C 95 28.778 12.115 -38.571 1.00 41.00 O ATOM 2757 CB LEU C 95 28.736 14.327 -36.521 1.00 32.83 C ATOM 2758 CG LEU C 95 28.310 15.528 -37.349 1.00 34.95 C ATOM 2759 CD1 LEU C 95 28.879 15.404 -38.734 1.00 36.44 C ATOM 2760 CD2 LEU C 95 26.795 15.650 -37.353 1.00 39.70 C ATOM 2761 N LEU C 96 26.542 12.401 -38.492 1.00 36.77 N ATOM 2762 CA LEU C 96 26.279 11.903 -39.841 1.00 33.75 C ATOM 2763 C LEU C 96 26.539 13.011 -40.845 1.00 37.80 C ATOM 2764 O LEU C 96 26.345 14.186 -40.533 1.00 32.33 O ATOM 2765 CB LEU C 96 24.831 11.438 -40.007 1.00 36.13 C ATOM 2766 CG LEU C 96 24.344 10.217 -39.229 1.00 36.26 C ATOM 2767 CD1 LEU C 96 22.938 9.842 -39.681 1.00 26.45 C ATOM 2768 CD2 LEU C 96 25.295 9.068 -39.462 1.00 36.33 C ATOM 2769 N ASN C 97 26.922 12.625 -42.062 1.00 39.12 N ATOM 2770 CA ASN C 97 27.271 13.568 -43.125 1.00 36.67 C ATOM 2771 C ASN C 97 28.509 14.252 -42.569 1.00 39.75 C ATOM 2772 O ASN C 97 28.736 15.438 -42.806 1.00 38.08 O ATOM 2773 CB ASN C 97 26.160 14.608 -43.382 1.00 37.05 C ATOM 2774 CG ASN C 97 24.826 13.972 -43.764 1.00 42.99 C ATOM 2775 OD1 ASN C 97 24.017 13.615 -42.904 1.00 46.05 O ATOM 2776 ND2 ASN C 97 24.598 13.828 -45.057 1.00 35.21 N ATOM 2777 N GLY C 98 29.299 13.474 -41.820 1.00 36.07 N ATOM 2778 CA GLY C 98 30.509 13.978 -41.195 1.00 40.11 C ATOM 2779 C GLY C 98 31.788 13.274 -41.610 1.00 44.69 C ATOM 2780 O GLY C 98 31.768 12.406 -42.474 1.00 44.59 O ATOM 2781 N PRO C 99 32.929 13.639 -41.000 1.00 50.10 N ATOM 2782 CA PRO C 99 34.249 13.057 -41.292 1.00 51.98 C ATOM 2783 C PRO C 99 34.471 11.585 -40.953 1.00 46.65 C ATOM 2784 O PRO C 99 35.468 10.995 -41.369 1.00 43.82 O ATOM 2785 CB PRO C 99 35.199 13.950 -40.493 1.00 53.67 C ATOM 2786 CG PRO C 99 34.371 14.318 -39.300 1.00 56.86 C ATOM 2787 CD PRO C 99 33.057 14.691 -39.972 1.00 52.90 C ATOM 2788 N LEU C 100 33.559 10.998 -40.193 1.00 43.45 N ATOM 2789 CA LEU C 100 33.708 9.604 -39.798 1.00 43.62 C ATOM 2790 C LEU C 100 33.339 8.696 -40.973 1.00 45.41 C ATOM 2791 O LEU C 100 32.317 8.899 -41.643 1.00 41.12 O ATOM 2792 CB LEU C 100 32.836 9.328 -38.562 1.00 42.89 C ATOM 2793 CG LEU C 100 33.333 8.351 -37.481 1.00 48.59 C ATOM 2794 CD1 LEU C 100 32.986 6.929 -37.883 1.00 53.50 C ATOM 2795 CD2 LEU C 100 34.847 8.497 -37.266 1.00 52.71 C ATOM 2796 N GLY C 101 34.187 7.712 -41.240 1.00 40.16 N ATOM 2797 CA GLY C 101 33.925 6.814 -42.347 1.00 52.23 C ATOM 2798 C GLY C 101 32.796 5.812 -42.139 1.00 59.71 C ATOM 2799 O GLY C 101 32.608 5.263 -41.028 1.00 62.44 O ATOM 2800 N ALA C 102 32.037 5.565 -43.209 1.00 55.62 N ATOM 2801 CA ALA C 102 30.941 4.593 -43.156 1.00 56.00 C ATOM 2802 C ALA C 102 31.460 3.251 -42.623 1.00 54.82 C ATOM 2803 O ALA C 102 30.768 2.587 -41.848 1.00 56.39 O ATOM 2804 CB ALA C 102 30.302 4.405 -44.568 1.00 52.43 C ATOM 2805 N LYS C 103 32.671 2.847 -43.021 1.00 53.12 N ATOM 2806 CA LYS C 103 33.192 1.571 -42.521 1.00 53.45 C ATOM 2807 C LYS C 103 33.338 1.628 -40.999 1.00 52.72 C ATOM 2808 O LYS C 103 32.822 0.758 -40.284 1.00 48.82 O ATOM 2809 CB LYS C 103 34.550 1.213 -43.146 1.00 51.30 C ATOM 2810 CG LYS C 103 34.986 -0.253 -42.883 1.00 54.22 C ATOM 2811 CD LYS C 103 36.432 -0.535 -43.354 1.00 55.93 C ATOM 2812 CE LYS C 103 37.440 0.132 -42.407 1.00 65.07 C ATOM 2813 NZ LYS C 103 38.865 0.214 -42.895 1.00 55.16 N ATOM 2814 N GLU C 104 34.039 2.656 -40.511 1.00 53.76 N ATOM 2815 CA GLU C 104 34.257 2.840 -39.066 1.00 56.43 C ATOM 2816 C GLU C 104 32.894 2.938 -38.354 1.00 58.83 C ATOM 2817 O GLU C 104 32.722 2.437 -37.234 1.00 58.19 O ATOM 2818 CB GLU C 104 35.072 4.116 -38.817 1.00 53.51 C ATOM 2819 CG GLU C 104 35.304 4.455 -37.340 1.00 61.87 C ATOM 2820 CD GLU C 104 36.178 3.428 -36.604 1.00 71.30 C ATOM 2821 OE1 GLU C 104 37.365 3.235 -37.021 1.00 75.52 O ATOM 2822 OE2 GLU C 104 35.684 2.819 -35.604 1.00 60.91 O ATOM 2823 N ILE C 105 31.927 3.576 -39.016 1.00 52.76 N ATOM 2824 CA ILE C 105 30.602 3.708 -38.448 1.00 46.57 C ATOM 2825 C ILE C 105 29.906 2.358 -38.394 1.00 51.18 C ATOM 2826 O ILE C 105 29.255 2.044 -37.401 1.00 55.18 O ATOM 2827 CB ILE C 105 29.726 4.665 -39.263 1.00 49.35 C ATOM 2828 CG1 ILE C 105 30.215 6.099 -39.097 1.00 41.46 C ATOM 2829 CG2 ILE C 105 28.276 4.530 -38.823 1.00 40.27 C ATOM 2830 CD1 ILE C 105 29.517 7.078 -40.000 1.00 40.54 C ATOM 2831 N HIS C 106 30.031 1.554 -39.450 1.00 54.09 N ATOM 2832 CA HIS C 106 29.376 0.239 -39.469 1.00 55.63 C ATOM 2833 C HIS C 106 29.826 -0.632 -38.317 1.00 55.28 C ATOM 2834 O HIS C 106 29.011 -1.332 -37.716 1.00 60.27 O ATOM 2835 CB HIS C 106 29.642 -0.498 -40.789 1.00 51.76 C ATOM 2836 CG HIS C 106 28.943 0.109 -41.958 1.00 52.18 C ATOM 2837 ND1 HIS C 106 29.366 -0.079 -43.255 1.00 49.81 N ATOM 2838 CD2 HIS C 106 27.889 0.956 -42.022 1.00 54.02 C ATOM 2839 CE1 HIS C 106 28.611 0.634 -44.067 1.00 49.10 C ATOM 2840 NE2 HIS C 106 27.706 1.272 -43.346 1.00 56.76 N ATOM 2841 N SER C 107 31.122 -0.590 -38.015 1.00 51.36 N ATOM 2842 CA SER C 107 31.666 -1.396 -36.934 1.00 52.65 C ATOM 2843 C SER C 107 31.139 -0.898 -35.589 1.00 49.72 C ATOM 2844 O SER C 107 30.792 -1.704 -34.717 1.00 49.78 O ATOM 2845 CB SER C 107 33.200 -1.370 -36.965 1.00 50.34 C ATOM 2846 OG SER C 107 33.701 -0.044 -36.855 1.00 68.02 O ATOM 2847 N LEU C 108 31.059 0.425 -35.427 1.00 42.70 N ATOM 2848 CA LEU C 108 30.535 1.021 -34.192 1.00 43.78 C ATOM 2849 C LEU C 108 29.059 0.617 -34.022 1.00 41.87 C ATOM 2850 O LEU C 108 28.618 0.295 -32.908 1.00 31.44 O ATOM 2851 CB LEU C 108 30.696 2.549 -34.229 1.00 40.87 C ATOM 2852 CG LEU C 108 32.146 3.078 -34.126 1.00 35.51 C ATOM 2853 CD1 LEU C 108 32.225 4.567 -34.442 1.00 34.08 C ATOM 2854 CD2 LEU C 108 32.659 2.828 -32.743 1.00 33.23 C ATOM 2855 N ILE C 109 28.310 0.622 -35.132 1.00 42.32 N ATOM 2856 CA ILE C 109 26.906 0.202 -35.124 1.00 41.09 C ATOM 2857 C ILE C 109 26.873 -1.255 -34.619 1.00 39.82 C ATOM 2858 O ILE C 109 25.987 -1.638 -33.867 1.00 41.75 O ATOM 2859 CB ILE C 109 26.244 0.201 -36.557 1.00 38.14 C ATOM 2860 CG1 ILE C 109 26.408 1.546 -37.284 1.00 25.92 C ATOM 2861 CG2 ILE C 109 24.759 -0.162 -36.425 1.00 32.04 C ATOM 2862 CD1 ILE C 109 25.524 2.674 -36.789 1.00 43.91 C ATOM 2863 N GLU C 110 27.844 -2.057 -35.056 1.00 41.90 N ATOM 2864 CA GLU C 110 27.928 -3.464 -34.658 1.00 48.90 C ATOM 2865 C GLU C 110 28.253 -3.582 -33.175 1.00 48.20 C ATOM 2866 O GLU C 110 27.615 -4.339 -32.440 1.00 50.73 O ATOM 2867 CB GLU C 110 28.997 -4.207 -35.479 1.00 49.51 C ATOM 2868 CG GLU C 110 29.137 -5.714 -35.173 1.00 54.34 C ATOM 2869 CD GLU C 110 27.828 -6.489 -35.310 1.00 69.29 C ATOM 2870 OE1 GLU C 110 27.188 -6.391 -36.382 1.00 70.19 O ATOM 2871 OE2 GLU C 110 27.443 -7.200 -34.346 1.00 68.46 O ATOM 2872 N ASP C 111 29.245 -2.824 -32.736 1.00 44.96 N ATOM 2873 CA ASP C 111 29.635 -2.844 -31.340 1.00 45.77 C ATOM 2874 C ASP C 111 28.462 -2.508 -30.406 1.00 48.26 C ATOM 2875 O ASP C 111 28.268 -3.173 -29.388 1.00 44.96 O ATOM 2876 CB ASP C 111 30.788 -1.872 -31.138 1.00 54.80 C ATOM 2877 CG ASP C 111 32.114 -2.444 -31.601 1.00 65.30 C ATOM 2878 OD1 ASP C 111 32.131 -3.208 -32.596 1.00 61.55 O ATOM 2879 OD2 ASP C 111 33.144 -2.121 -30.968 1.00 73.71 O ATOM 2880 N SER C 112 27.682 -1.487 -30.760 1.00 42.05 N ATOM 2881 CA SER C 112 26.525 -1.064 -29.968 1.00 35.43 C ATOM 2882 C SER C 112 25.472 -2.164 -29.975 1.00 42.54 C ATOM 2883 O SER C 112 24.792 -2.411 -28.972 1.00 42.13 O ATOM 2884 CB SER C 112 25.946 0.237 -30.551 1.00 35.32 C ATOM 2885 OG SER C 112 24.883 0.752 -29.785 1.00 24.66 O ATOM 2886 N PHE C 113 25.348 -2.837 -31.111 1.00 43.00 N ATOM 2887 CA PHE C 113 24.383 -3.923 -31.264 1.00 45.10 C ATOM 2888 C PHE C 113 24.724 -5.083 -30.314 1.00 47.76 C ATOM 2889 O PHE C 113 23.870 -5.535 -29.558 1.00 48.26 O ATOM 2890 CB PHE C 113 24.387 -4.420 -32.717 1.00 49.20 C ATOM 2891 CG PHE C 113 23.264 -5.372 -33.048 1.00 56.47 C ATOM 2892 CD1 PHE C 113 21.946 -4.916 -33.119 1.00 62.20 C ATOM 2893 CD2 PHE C 113 23.514 -6.729 -33.256 1.00 51.38 C ATOM 2894 CE1 PHE C 113 20.903 -5.793 -33.403 1.00 51.54 C ATOM 2895 CE2 PHE C 113 22.472 -7.605 -33.539 1.00 49.89 C ATOM 2896 CZ PHE C 113 21.165 -7.135 -33.605 1.00 49.71 C ATOM 2897 N GLN C 114 25.972 -5.556 -30.367 1.00 48.64 N ATOM 2898 CA GLN C 114 26.439 -6.654 -29.521 1.00 45.10 C ATOM 2899 C GLN C 114 26.474 -6.280 -28.047 1.00 44.94 C ATOM 2900 O GLN C 114 26.309 -7.131 -27.196 1.00 52.71 O ATOM 2901 CB GLN C 114 27.851 -7.108 -29.933 1.00 41.32 C ATOM 2902 CG GLN C 114 27.972 -7.813 -31.276 1.00 40.73 C ATOM 2903 CD GLN C 114 27.033 -8.995 -31.410 1.00 48.93 C ATOM 2904 OE1 GLN C 114 27.001 -9.882 -30.558 1.00 51.82 O ATOM 2905 NE2 GLN C 114 26.255 -9.009 -32.485 1.00 49.28 N ATOM 2906 N LEU C 115 26.715 -5.011 -27.755 1.00 46.62 N ATOM 2907 CA LEU C 115 26.799 -4.538 -26.380 1.00 45.78 C ATOM 2908 C LEU C 115 25.421 -4.535 -25.721 1.00 48.02 C ATOM 2909 O LEU C 115 25.299 -4.419 -24.495 1.00 47.93 O ATOM 2910 CB LEU C 115 27.372 -3.116 -26.356 1.00 51.50 C ATOM 2911 CG LEU C 115 28.406 -2.737 -25.291 1.00 53.95 C ATOM 2912 CD1 LEU C 115 27.882 -3.092 -23.885 1.00 58.13 C ATOM 2913 CD2 LEU C 115 29.699 -3.474 -25.576 1.00 55.42 C ATOM 2914 N THR C 116 24.387 -4.668 -26.544 1.00 45.37 N ATOM 2915 CA THR C 116 23.009 -4.645 -26.062 1.00 48.81 C ATOM 2916 C THR C 116 22.209 -5.894 -26.450 1.00 56.00 C ATOM 2917 O THR C 116 20.981 -5.921 -26.337 1.00 52.83 O ATOM 2918 CB THR C 116 22.300 -3.390 -26.604 1.00 42.38 C ATOM 2919 OG1 THR C 116 22.604 -3.235 -27.997 1.00 39.86 O ATOM 2920 CG2 THR C 116 22.781 -2.154 -25.865 1.00 46.78 C ATOM 2921 N ARG C 117 22.927 -6.924 -26.899 1.00 65.14 N ATOM 2922 CA ARG C 117 22.344 -8.200 -27.330 1.00 71.51 C ATOM 2923 C ARG C 117 21.660 -8.905 -26.148 1.00 74.02 C ATOM 2924 O ARG C 117 21.925 -8.488 -25.002 1.00 69.39 O ATOM 2925 CB ARG C 117 23.467 -9.090 -27.892 1.00 78.84 C ATOM 2926 CG ARG C 117 23.188 -9.818 -29.214 1.00 85.50 C ATOM 2927 CD ARG C 117 22.128 -10.899 -29.062 1.00 95.38 C ATOM 2928 NE ARG C 117 20.869 -10.533 -29.722 1.00102.09 N ATOM 2929 CZ ARG C 117 20.671 -10.552 -31.042 1.00 98.97 C ATOM 2930 NH1 ARG C 117 21.653 -10.923 -31.861 1.00 98.89 N ATOM 2931 NH2 ARG C 117 19.493 -10.196 -31.544 1.00 84.24 N TER 2933 ARG C 117 HETATM 2933 N MSE D 1 1.032 -36.211 25.073 1.00 52.26 N HETATM 2934 CA MSE D 1 2.297 -36.502 24.348 1.00 55.38 C HETATM 2935 C MSE D 1 3.438 -35.710 24.974 1.00 52.89 C HETATM 2936 O MSE D 1 3.272 -34.548 25.326 1.00 46.98 O HETATM 2937 CB MSE D 1 2.154 -36.133 22.872 1.00 57.89 C HETATM 2938 CG MSE D 1 3.351 -36.509 22.019 1.00 69.89 C HETATM 2939 SE MSE D 1 3.180 -35.903 20.198 1.00 78.27 HETATM 2940 CE MSE D 1 3.839 -34.118 20.421 1.00 89.20 C ATOM 2941 N ASN D 2 4.597 -36.342 25.112 1.00 54.27 N ATOM 2942 CA ASN D 2 5.747 -35.690 25.723 1.00 51.59 C ATOM 2943 C ASN D 2 6.878 -35.465 24.740 1.00 54.35 C ATOM 2944 O ASN D 2 6.845 -35.958 23.602 1.00 52.43 O ATOM 2945 CB ASN D 2 6.264 -36.530 26.893 1.00 46.51 C ATOM 2946 CG ASN D 2 6.834 -37.863 26.445 1.00 50.10 C ATOM 2947 OD1 ASN D 2 7.148 -38.716 27.265 1.00 56.73 O ATOM 2948 ND2 ASN D 2 6.978 -38.043 25.137 1.00 47.31 N ATOM 2949 N ARG D 3 7.888 -34.738 25.216 1.00 48.60 N ATOM 2950 CA ARG D 3 9.077 -34.398 24.444 1.00 41.98 C ATOM 2951 C ARG D 3 9.655 -35.589 23.677 1.00 45.48 C ATOM 2952 O ARG D 3 9.947 -35.486 22.486 1.00 53.65 O ATOM 2953 CB ARG D 3 10.140 -33.828 25.382 1.00 37.15 C ATOM 2954 CG ARG D 3 11.303 -33.179 24.678 1.00 35.91 C ATOM 2955 CD ARG D 3 12.430 -32.854 25.629 1.00 26.09 C ATOM 2956 NE ARG D 3 13.259 -31.791 25.083 1.00 42.88 N ATOM 2957 CZ ARG D 3 12.855 -30.528 24.948 1.00 46.49 C ATOM 2958 NH1 ARG D 3 11.637 -30.180 25.326 1.00 47.42 N ATOM 2959 NH2 ARG D 3 13.656 -29.611 24.415 1.00 47.98 N ATOM 2960 N GLN D 4 9.814 -36.715 24.359 1.00 50.06 N ATOM 2961 CA GLN D 4 10.366 -37.929 23.757 1.00 49.77 C ATOM 2962 C GLN D 4 9.523 -38.472 22.608 1.00 47.84 C ATOM 2963 O GLN D 4 10.015 -38.625 21.495 1.00 39.22 O ATOM 2964 CB GLN D 4 10.505 -39.021 24.821 1.00 58.38 C ATOM 2965 CG GLN D 4 11.916 -39.562 25.031 1.00 68.10 C ATOM 2966 CD GLN D 4 12.530 -40.132 23.764 1.00 84.27 C ATOM 2967 OE1 GLN D 4 12.975 -39.390 22.883 1.00 90.28 O ATOM 2968 NE2 GLN D 4 12.558 -41.458 23.664 1.00 82.58 N ATOM 2969 N GLN D 5 8.254 -38.764 22.887 1.00 48.80 N ATOM 2970 CA GLN D 5 7.343 -39.328 21.885 1.00 48.70 C ATOM 2971 C GLN D 5 7.233 -38.451 20.650 1.00 51.40 C ATOM 2972 O GLN D 5 6.988 -38.949 19.542 1.00 49.89 O ATOM 2973 CB GLN D 5 5.957 -39.522 22.483 1.00 48.27 C ATOM 2974 CG GLN D 5 5.957 -40.341 23.748 1.00 46.76 C ATOM 2975 CD GLN D 5 4.610 -40.324 24.420 1.00 54.14 C ATOM 2976 OE1 GLN D 5 3.970 -39.277 24.528 1.00 41.82 O ATOM 2977 NE2 GLN D 5 4.174 -41.479 24.892 1.00 54.85 N ATOM 2978 N PHE D 6 7.402 -37.146 20.854 1.00 49.55 N ATOM 2979 CA PHE D 6 7.345 -36.185 19.774 1.00 40.16 C ATOM 2980 C PHE D 6 8.541 -36.301 18.831 1.00 42.39 C ATOM 2981 O PHE D 6 8.356 -36.547 17.642 1.00 45.15 O ATOM 2982 CB PHE D 6 7.260 -34.765 20.326 1.00 38.10 C ATOM 2983 CG PHE D 6 7.428 -33.701 19.274 1.00 41.87 C ATOM 2984 CD1 PHE D 6 8.691 -33.211 18.949 1.00 36.32 C ATOM 2985 CD2 PHE D 6 6.328 -33.248 18.550 1.00 31.93 C ATOM 2986 CE1 PHE D 6 8.853 -32.296 17.922 1.00 34.13 C ATOM 2987 CE2 PHE D 6 6.482 -32.335 17.525 1.00 30.33 C ATOM 2988 CZ PHE D 6 7.744 -31.860 17.208 1.00 37.27 C ATOM 2989 N ILE D 7 9.763 -36.138 19.341 1.00 36.42 N ATOM 2990 CA ILE D 7 10.932 -36.223 18.459 1.00 47.95 C ATOM 2991 C ILE D 7 10.988 -37.569 17.729 1.00 49.83 C ATOM 2992 O ILE D 7 11.547 -37.674 16.632 1.00 53.84 O ATOM 2993 CB ILE D 7 12.290 -35.973 19.209 1.00 39.60 C ATOM 2994 CG1 ILE D 7 12.919 -37.296 19.640 1.00 52.38 C ATOM 2995 CG2 ILE D 7 12.092 -35.035 20.375 1.00 33.57 C ATOM 2996 CD1 ILE D 7 13.930 -37.851 18.630 1.00 50.63 C ATOM 2997 N ASP D 8 10.398 -38.596 18.334 1.00 54.00 N ATOM 2998 CA ASP D 8 10.371 -39.918 17.729 1.00 55.11 C ATOM 2999 C ASP D 8 9.373 -39.924 16.588 1.00 50.15 C ATOM 3000 O ASP D 8 9.677 -40.401 15.502 1.00 54.33 O ATOM 3001 CB ASP D 8 9.980 -40.981 18.760 1.00 64.36 C ATOM 3002 CG ASP D 8 11.103 -41.293 19.743 1.00 73.06 C ATOM 3003 OD1 ASP D 8 10.831 -41.979 20.750 1.00 69.29 O ATOM 3004 OD2 ASP D 8 12.257 -40.868 19.512 1.00 76.19 O ATOM 3005 N TYR D 9 8.181 -39.393 16.821 1.00 42.82 N ATOM 3006 CA TYR D 9 7.187 -39.374 15.758 1.00 44.71 C ATOM 3007 C TYR D 9 7.716 -38.644 14.520 1.00 49.28 C ATOM 3008 O TYR D 9 7.489 -39.085 13.398 1.00 53.22 O ATOM 3009 CB TYR D 9 5.886 -38.736 16.257 1.00 44.78 C ATOM 3010 CG TYR D 9 4.843 -38.500 15.186 1.00 46.29 C ATOM 3011 CD1 TYR D 9 4.807 -37.306 14.475 1.00 50.64 C ATOM 3012 CD2 TYR D 9 3.866 -39.451 14.911 1.00 50.69 C ATOM 3013 CE1 TYR D 9 3.827 -37.063 13.524 1.00 52.68 C ATOM 3014 CE2 TYR D 9 2.885 -39.214 13.959 1.00 48.29 C ATOM 3015 CZ TYR D 9 2.872 -38.020 13.277 1.00 52.95 C ATOM 3016 OH TYR D 9 1.898 -37.768 12.344 1.00 61.09 O ATOM 3017 N ALA D 10 8.436 -37.543 14.729 1.00 46.47 N ATOM 3018 CA ALA D 10 8.995 -36.772 13.624 1.00 49.29 C ATOM 3019 C ALA D 10 10.016 -37.578 12.831 1.00 54.21 C ATOM 3020 O ALA D 10 10.045 -37.521 11.604 1.00 56.01 O ATOM 3021 CB ALA D 10 9.641 -35.511 14.153 1.00 47.62 C ATOM 3022 N GLN D 11 10.857 -38.319 13.545 1.00 57.90 N ATOM 3023 CA GLN D 11 11.888 -39.145 12.927 1.00 63.94 C ATOM 3024 C GLN D 11 11.297 -40.245 12.042 1.00 65.19 C ATOM 3025 O GLN D 11 11.837 -40.556 10.980 1.00 63.13 O ATOM 3026 CB GLN D 11 12.772 -39.762 14.024 1.00 67.52 C ATOM 3027 CG GLN D 11 13.778 -40.826 13.552 1.00 72.28 C ATOM 3028 CD GLN D 11 14.780 -40.308 12.523 1.00 64.98 C ATOM 3029 OE1 GLN D 11 15.508 -39.349 12.771 1.00 63.61 O ATOM 3030 NE2 GLN D 11 14.823 -40.954 11.362 1.00 59.12 N ATOM 3031 N LYS D 12 10.183 -40.827 12.476 1.00 64.84 N ATOM 3032 CA LYS D 12 9.550 -41.897 11.709 1.00 63.94 C ATOM 3033 C LYS D 12 8.623 -41.389 10.608 1.00 62.15 C ATOM 3034 O LYS D 12 8.758 -41.784 9.455 1.00 62.22 O ATOM 3035 CB LYS D 12 8.765 -42.836 12.635 1.00 59.63 C ATOM 3036 CG LYS D 12 9.553 -43.340 13.837 1.00 74.27 C ATOM 3037 CD LYS D 12 10.777 -44.167 13.441 1.00 83.46 C ATOM 3038 CE LYS D 12 10.372 -45.518 12.878 1.00 87.52 C ATOM 3039 NZ LYS D 12 11.563 -46.354 12.569 1.00 82.07 N ATOM 3040 N LYS D 13 7.687 -40.515 10.962 1.00 59.85 N ATOM 3041 CA LYS D 13 6.735 -39.992 9.990 1.00 54.91 C ATOM 3042 C LYS D 13 7.302 -39.012 8.994 1.00 48.63 C ATOM 3043 O LYS D 13 6.649 -38.700 8.007 1.00 52.11 O ATOM 3044 CB LYS D 13 5.547 -39.326 10.688 1.00 58.21 C ATOM 3045 CG LYS D 13 4.372 -40.254 11.001 1.00 70.96 C ATOM 3046 CD LYS D 13 3.511 -40.578 9.780 1.00 68.35 C ATOM 3047 CE LYS D 13 2.731 -39.366 9.312 1.00 65.35 C ATOM 3048 NZ LYS D 13 3.660 -38.271 8.938 1.00 60.82 N ATOM 3049 N TYR D 14 8.503 -38.513 9.243 1.00 41.59 N ATOM 3050 CA TYR D 14 9.085 -37.548 8.324 1.00 44.36 C ATOM 3051 C TYR D 14 10.555 -37.807 8.073 1.00 45.86 C ATOM 3052 O TYR D 14 11.144 -37.215 7.185 1.00 43.84 O ATOM 3053 CB TYR D 14 8.894 -36.116 8.858 1.00 43.71 C ATOM 3054 CG TYR D 14 7.447 -35.702 9.032 1.00 38.84 C ATOM 3055 CD1 TYR D 14 6.624 -35.464 7.931 1.00 42.74 C ATOM 3056 CD2 TYR D 14 6.876 -35.636 10.299 1.00 39.96 C ATOM 3057 CE1 TYR D 14 5.260 -35.180 8.096 1.00 42.67 C ATOM 3058 CE2 TYR D 14 5.524 -35.355 10.476 1.00 40.51 C ATOM 3059 CZ TYR D 14 4.719 -35.133 9.374 1.00 50.07 C ATOM 3060 OH TYR D 14 3.367 -34.905 9.553 1.00 53.79 O ATOM 3061 N ASP D 15 11.150 -38.695 8.860 1.00 56.89 N ATOM 3062 CA ASP D 15 12.561 -39.014 8.697 1.00 63.63 C ATOM 3063 C ASP D 15 13.410 -37.749 8.840 1.00 62.40 C ATOM 3064 O ASP D 15 14.357 -37.528 8.090 1.00 48.56 O ATOM 3065 CB ASP D 15 12.778 -39.652 7.322 1.00 72.62 C ATOM 3066 CG ASP D 15 14.030 -40.499 7.261 1.00 81.07 C ATOM 3067 OD1 ASP D 15 15.138 -39.929 7.185 1.00 87.07 O ATOM 3068 OD2 ASP D 15 13.897 -41.740 7.306 1.00 81.12 O ATOM 3069 N THR D 16 13.059 -36.928 9.822 1.00 69.10 N ATOM 3070 CA THR D 16 13.760 -35.675 10.097 1.00 69.18 C ATOM 3071 C THR D 16 14.575 -35.786 11.383 1.00 67.73 C ATOM 3072 O THR D 16 14.084 -36.291 12.398 1.00 60.34 O ATOM 3073 CB THR D 16 12.763 -34.498 10.289 1.00 72.74 C ATOM 3074 OG1 THR D 16 11.916 -34.369 9.139 1.00 68.86 O ATOM 3075 CG2 THR D 16 13.517 -33.194 10.518 1.00 68.00 C ATOM 3076 N LYS D 17 15.814 -35.312 11.340 1.00 64.89 N ATOM 3077 CA LYS D 17 16.671 -35.334 12.517 1.00 64.26 C ATOM 3078 C LYS D 17 16.577 -33.966 13.205 1.00 59.09 C ATOM 3079 O LYS D 17 16.684 -32.921 12.555 1.00 60.32 O ATOM 3080 CB LYS D 17 18.125 -35.666 12.117 1.00 71.50 C ATOM 3081 CG LYS D 17 19.219 -34.661 12.562 1.00 87.72 C ATOM 3082 CD LYS D 17 19.376 -33.467 11.583 1.00 84.23 C ATOM 3083 CE LYS D 17 20.296 -32.360 12.132 1.00 76.44 C ATOM 3084 NZ LYS D 17 21.644 -32.827 12.591 1.00 66.14 N ATOM 3085 N PRO D 18 16.348 -33.956 14.528 1.00 52.66 N ATOM 3086 CA PRO D 18 16.241 -32.700 15.274 1.00 51.95 C ATOM 3087 C PRO D 18 17.517 -31.865 15.258 1.00 52.60 C ATOM 3088 O PRO D 18 18.616 -32.389 15.427 1.00 46.86 O ATOM 3089 CB PRO D 18 15.870 -33.168 16.679 1.00 50.07 C ATOM 3090 CG PRO D 18 16.528 -34.511 16.764 1.00 49.73 C ATOM 3091 CD PRO D 18 16.188 -35.108 15.428 1.00 52.03 C ATOM 3092 N ASP D 19 17.351 -30.563 15.049 1.00 56.41 N ATOM 3093 CA ASP D 19 18.469 -29.634 15.010 1.00 57.31 C ATOM 3094 C ASP D 19 18.479 -28.750 16.244 1.00 54.72 C ATOM 3095 O ASP D 19 17.434 -28.478 16.828 1.00 51.33 O ATOM 3096 CB ASP D 19 18.383 -28.763 13.768 1.00 62.77 C ATOM 3097 CG ASP D 19 19.546 -28.966 12.862 1.00 73.89 C ATOM 3098 OD1 ASP D 19 20.691 -28.740 13.316 1.00 83.56 O ATOM 3099 OD2 ASP D 19 19.323 -29.358 11.699 1.00 86.45 O ATOM 3100 N HIS D 20 19.660 -28.288 16.635 1.00 50.68 N ATOM 3101 CA HIS D 20 19.781 -27.441 17.809 1.00 49.10 C ATOM 3102 C HIS D 20 20.605 -26.226 17.451 1.00 47.61 C ATOM 3103 O HIS D 20 21.819 -26.205 17.653 1.00 47.61 O ATOM 3104 CB HIS D 20 20.446 -28.222 18.942 1.00 41.07 C ATOM 3105 CG HIS D 20 19.802 -29.545 19.198 1.00 31.02 C ATOM 3106 ND1 HIS D 20 18.594 -29.670 19.847 1.00 36.54 N ATOM 3107 CD2 HIS D 20 20.139 -30.791 18.789 1.00 24.70 C ATOM 3108 CE1 HIS D 20 18.213 -30.933 19.823 1.00 32.61 C ATOM 3109 NE2 HIS D 20 19.133 -31.632 19.185 1.00 32.64 N ATOM 3110 N PRO D 21 19.951 -25.200 16.903 1.00 42.53 N ATOM 3111 CA PRO D 21 20.594 -23.955 16.493 1.00 45.58 C ATOM 3112 C PRO D 21 21.202 -23.142 17.626 1.00 43.63 C ATOM 3113 O PRO D 21 22.260 -22.544 17.458 1.00 42.78 O ATOM 3114 CB PRO D 21 19.462 -23.195 15.814 1.00 51.28 C ATOM 3115 CG PRO D 21 18.587 -24.267 15.304 1.00 48.74 C ATOM 3116 CD PRO D 21 18.547 -25.214 16.474 1.00 41.99 C ATOM 3117 N TRP D 22 20.517 -23.115 18.767 1.00 38.38 N ATOM 3118 CA TRP D 22 20.952 -22.347 19.929 1.00 41.92 C ATOM 3119 C TRP D 22 21.896 -23.090 20.844 1.00 43.63 C ATOM 3120 O TRP D 22 21.552 -24.122 21.404 1.00 46.98 O ATOM 3121 CB TRP D 22 19.741 -21.902 20.747 1.00 44.86 C ATOM 3122 CG TRP D 22 18.792 -21.042 19.993 1.00 35.92 C ATOM 3123 CD1 TRP D 22 18.859 -19.691 19.820 1.00 32.12 C ATOM 3124 CD2 TRP D 22 17.644 -21.486 19.276 1.00 42.52 C ATOM 3125 NE1 TRP D 22 17.823 -19.264 19.035 1.00 40.50 N ATOM 3126 CE2 TRP D 22 17.059 -20.351 18.684 1.00 42.73 C ATOM 3127 CE3 TRP D 22 17.053 -22.740 19.064 1.00 43.59 C ATOM 3128 CZ2 TRP D 22 15.904 -20.431 17.906 1.00 36.65 C ATOM 3129 CZ3 TRP D 22 15.913 -22.813 18.292 1.00 23.50 C ATOM 3130 CH2 TRP D 22 15.354 -21.673 17.723 1.00 36.23 C ATOM 3131 N GLU D 23 23.083 -22.535 21.010 1.00 51.28 N ATOM 3132 CA GLU D 23 24.097 -23.125 21.861 1.00 50.79 C ATOM 3133 C GLU D 23 23.684 -22.948 23.314 1.00 50.13 C ATOM 3134 O GLU D 23 23.847 -23.847 24.137 1.00 46.77 O ATOM 3135 CB GLU D 23 25.439 -22.434 21.604 1.00 65.20 C ATOM 3136 CG GLU D 23 25.438 -20.892 21.826 1.00 79.92 C ATOM 3137 CD GLU D 23 24.679 -20.080 20.747 1.00 85.39 C ATOM 3138 OE1 GLU D 23 25.202 -19.914 19.620 1.00 81.37 O ATOM 3139 OE2 GLU D 23 23.556 -19.608 21.031 1.00 76.49 O ATOM 3140 N LYS D 24 23.144 -21.771 23.609 1.00 44.84 N ATOM 3141 CA LYS D 24 22.701 -21.417 24.949 1.00 53.15 C ATOM 3142 C LYS D 24 21.566 -22.305 25.449 1.00 50.04 C ATOM 3143 O LYS D 24 21.441 -22.542 26.649 1.00 42.38 O ATOM 3144 CB LYS D 24 22.271 -19.941 24.970 1.00 62.84 C ATOM 3145 CG LYS D 24 23.434 -18.934 24.897 1.00 74.30 C ATOM 3146 CD LYS D 24 23.000 -17.562 24.352 1.00 82.99 C ATOM 3147 CE LYS D 24 21.840 -16.917 25.136 1.00 83.38 C ATOM 3148 NZ LYS D 24 22.201 -16.375 26.483 1.00 74.69 N ATOM 3149 N PHE D 25 20.743 -22.795 24.526 1.00 44.69 N ATOM 3150 CA PHE D 25 19.611 -23.649 24.882 1.00 46.77 C ATOM 3151 C PHE D 25 19.677 -25.024 24.220 1.00 44.84 C ATOM 3152 O PHE D 25 19.126 -25.219 23.135 1.00 52.60 O ATOM 3153 CB PHE D 25 18.302 -22.966 24.495 1.00 45.27 C ATOM 3154 CG PHE D 25 18.130 -21.618 25.108 1.00 52.14 C ATOM 3155 CD1 PHE D 25 18.743 -20.507 24.550 1.00 56.84 C ATOM 3156 CD2 PHE D 25 17.390 -21.465 26.271 1.00 60.81 C ATOM 3157 CE1 PHE D 25 18.609 -19.257 25.136 1.00 68.00 C ATOM 3158 CE2 PHE D 25 17.248 -20.226 26.868 1.00 64.09 C ATOM 3159 CZ PHE D 25 17.863 -19.118 26.302 1.00 70.67 C ATOM 3160 N PRO D 26 20.338 -25.996 24.873 1.00 36.30 N ATOM 3161 CA PRO D 26 20.483 -27.358 24.358 1.00 35.01 C ATOM 3162 C PRO D 26 19.154 -28.048 24.083 1.00 43.34 C ATOM 3163 O PRO D 26 19.074 -28.923 23.240 1.00 45.42 O ATOM 3164 CB PRO D 26 21.259 -28.056 25.465 1.00 28.06 C ATOM 3165 CG PRO D 26 22.038 -26.950 26.077 1.00 28.68 C ATOM 3166 CD PRO D 26 21.021 -25.867 26.170 1.00 28.85 C ATOM 3167 N ASP D 27 18.118 -27.646 24.806 1.00 45.87 N ATOM 3168 CA ASP D 27 16.806 -28.242 24.654 1.00 49.11 C ATOM 3169 C ASP D 27 16.033 -27.809 23.451 1.00 53.55 C ATOM 3170 O ASP D 27 15.391 -28.624 22.792 1.00 58.67 O ATOM 3171 CB ASP D 27 15.955 -27.958 25.868 1.00 57.40 C ATOM 3172 CG ASP D 27 16.348 -28.794 27.028 1.00 63.76 C ATOM 3173 OD1 ASP D 27 15.731 -28.639 28.095 1.00 68.50 O ATOM 3174 OD2 ASP D 27 17.276 -29.615 26.861 1.00 63.34 O ATOM 3175 N TYR D 28 16.057 -26.517 23.181 1.00 49.06 N ATOM 3176 CA TYR D 28 15.343 -26.009 22.028 1.00 44.86 C ATOM 3177 C TYR D 28 15.788 -26.806 20.802 1.00 38.04 C ATOM 3178 O TYR D 28 16.977 -26.934 20.546 1.00 45.88 O ATOM 3179 CB TYR D 28 15.627 -24.509 21.849 1.00 39.81 C ATOM 3180 CG TYR D 28 15.128 -23.645 22.990 1.00 33.37 C ATOM 3181 CD1 TYR D 28 14.975 -22.270 22.835 1.00 39.84 C ATOM 3182 CD2 TYR D 28 14.790 -24.201 24.215 1.00 36.27 C ATOM 3183 CE1 TYR D 28 14.492 -21.476 23.880 1.00 37.63 C ATOM 3184 CE2 TYR D 28 14.307 -23.421 25.253 1.00 38.84 C ATOM 3185 CZ TYR D 28 14.159 -22.069 25.081 1.00 39.13 C ATOM 3186 OH TYR D 28 13.649 -21.332 26.115 1.00 52.73 O ATOM 3187 N ALA D 29 14.829 -27.362 20.069 1.00 38.23 N ATOM 3188 CA ALA D 29 15.128 -28.142 18.878 1.00 29.18 C ATOM 3189 C ALA D 29 14.160 -27.781 17.760 1.00 37.29 C ATOM 3190 O ALA D 29 12.954 -27.677 17.987 1.00 35.43 O ATOM 3191 CB ALA D 29 15.018 -29.614 19.181 1.00 36.68 C ATOM 3192 N VAL D 30 14.682 -27.570 16.552 1.00 37.64 N ATOM 3193 CA VAL D 30 13.822 -27.236 15.422 1.00 39.95 C ATOM 3194 C VAL D 30 13.753 -28.406 14.448 1.00 41.15 C ATOM 3195 O VAL D 30 14.644 -29.246 14.403 1.00 31.55 O ATOM 3196 CB VAL D 30 14.302 -25.934 14.665 1.00 39.80 C ATOM 3197 CG1 VAL D 30 14.465 -24.784 15.642 1.00 39.40 C ATOM 3198 CG2 VAL D 30 15.595 -26.181 13.917 1.00 40.40 C ATOM 3199 N PHE D 31 12.664 -28.472 13.697 1.00 45.72 N ATOM 3200 CA PHE D 31 12.477 -29.520 12.699 1.00 47.62 C ATOM 3201 C PHE D 31 12.204 -28.840 11.368 1.00 48.83 C ATOM 3202 O PHE D 31 11.240 -28.082 11.237 1.00 45.13 O ATOM 3203 CB PHE D 31 11.306 -30.427 13.080 1.00 48.56 C ATOM 3204 CG PHE D 31 11.534 -31.186 14.347 1.00 58.92 C ATOM 3205 CD1 PHE D 31 11.606 -30.521 15.569 1.00 63.61 C ATOM 3206 CD2 PHE D 31 11.727 -32.563 14.322 1.00 63.22 C ATOM 3207 CE1 PHE D 31 11.865 -31.219 16.750 1.00 64.80 C ATOM 3208 CE2 PHE D 31 11.987 -33.276 15.494 1.00 60.95 C ATOM 3209 CZ PHE D 31 12.058 -32.597 16.712 1.00 66.04 C ATOM 3210 N ARG D 32 13.065 -29.089 10.389 1.00 48.29 N ATOM 3211 CA ARG D 32 12.884 -28.480 9.086 1.00 51.04 C ATOM 3212 C ARG D 32 13.035 -29.472 7.952 1.00 46.43 C ATOM 3213 O ARG D 32 13.368 -30.631 8.177 1.00 43.17 O ATOM 3214 CB ARG D 32 13.872 -27.340 8.886 1.00 52.86 C ATOM 3215 CG ARG D 32 15.309 -27.771 8.817 1.00 58.14 C ATOM 3216 CD ARG D 32 16.056 -27.372 10.076 1.00 62.44 C ATOM 3217 NE ARG D 32 17.481 -27.646 9.951 1.00 62.77 N ATOM 3218 CZ ARG D 32 18.292 -27.009 9.115 1.00 63.55 C ATOM 3219 NH1 ARG D 32 19.577 -27.333 9.069 1.00 57.10 N ATOM 3220 NH2 ARG D 32 17.823 -26.042 8.337 1.00 59.47 N ATOM 3221 N HIS D 33 12.760 -29.000 6.737 1.00 49.22 N ATOM 3222 CA HIS D 33 12.869 -29.820 5.540 1.00 52.54 C ATOM 3223 C HIS D 33 14.298 -29.767 5.037 1.00 57.30 C ATOM 3224 O HIS D 33 14.994 -28.774 5.254 1.00 54.22 O ATOM 3225 CB HIS D 33 11.960 -29.305 4.428 1.00 46.45 C ATOM 3226 CG HIS D 33 10.504 -29.329 4.763 1.00 40.53 C ATOM 3227 ND1 HIS D 33 9.881 -28.308 5.444 1.00 35.28 N ATOM 3228 CD2 HIS D 33 9.537 -30.235 4.477 1.00 47.72 C ATOM 3229 CE1 HIS D 33 8.593 -28.579 5.561 1.00 39.63 C ATOM 3230 NE2 HIS D 33 8.357 -29.742 4.983 1.00 38.55 N ATOM 3231 N SER D 34 14.732 -30.826 4.359 1.00 60.57 N ATOM 3232 CA SER D 34 16.084 -30.878 3.829 1.00 63.95 C ATOM 3233 C SER D 34 16.161 -30.014 2.566 1.00 65.37 C ATOM 3234 O SER D 34 17.237 -29.572 2.158 1.00 63.75 O ATOM 3235 CB SER D 34 16.458 -32.326 3.522 1.00 60.89 C ATOM 3236 OG SER D 34 17.849 -32.436 3.258 1.00 72.90 O ATOM 3237 N ASP D 35 14.991 -29.768 1.980 1.00 69.90 N ATOM 3238 CA ASP D 35 14.822 -28.968 0.769 1.00 65.55 C ATOM 3239 C ASP D 35 15.138 -27.500 1.020 1.00 64.59 C ATOM 3240 O ASP D 35 16.267 -27.056 0.834 1.00 57.55 O ATOM 3241 CB ASP D 35 13.375 -29.079 0.275 1.00 69.15 C ATOM 3242 CG ASP D 35 12.888 -30.511 0.211 1.00 84.25 C ATOM 3243 OD1 ASP D 35 13.458 -31.294 -0.579 1.00 84.09 O ATOM 3244 OD2 ASP D 35 11.939 -30.865 0.951 1.00 93.51 O ATOM 3245 N ASN D 36 14.119 -26.757 1.451 1.00 62.24 N ATOM 3246 CA ASN D 36 14.239 -25.326 1.719 1.00 58.92 C ATOM 3247 C ASN D 36 14.703 -24.947 3.120 1.00 55.09 C ATOM 3248 O ASN D 36 14.786 -23.759 3.446 1.00 53.67 O ATOM 3249 CB ASN D 36 12.907 -24.636 1.456 1.00 58.03 C ATOM 3250 CG ASN D 36 11.763 -25.308 2.168 1.00 61.37 C ATOM 3251 OD1 ASN D 36 11.853 -25.615 3.359 1.00 59.30 O ATOM 3252 ND2 ASN D 36 10.671 -25.538 1.446 1.00 68.69 N ATOM 3253 N ASP D 37 14.998 -25.941 3.949 1.00 56.04 N ATOM 3254 CA ASP D 37 15.455 -25.680 5.310 1.00 56.23 C ATOM 3255 C ASP D 37 14.410 -24.879 6.106 1.00 54.92 C ATOM 3256 O ASP D 37 14.758 -24.143 7.039 1.00 48.16 O ATOM 3257 CB ASP D 37 16.782 -24.909 5.277 1.00 59.82 C ATOM 3258 CG ASP D 37 17.896 -25.670 4.569 1.00 73.41 C ATOM 3259 OD1 ASP D 37 18.993 -25.093 4.385 1.00 73.66 O ATOM 3260 OD2 ASP D 37 17.686 -26.847 4.198 1.00 82.29 O ATOM 3261 N LYS D 38 13.134 -25.018 5.741 1.00 48.94 N ATOM 3262 CA LYS D 38 12.077 -24.292 6.445 1.00 46.23 C ATOM 3263 C LYS D 38 11.613 -25.042 7.690 1.00 40.21 C ATOM 3264 O LYS D 38 11.313 -26.229 7.636 1.00 42.83 O ATOM 3265 CB LYS D 38 10.882 -24.017 5.516 1.00 42.03 C ATOM 3266 CG LYS D 38 11.180 -23.035 4.398 1.00 42.70 C ATOM 3267 CD LYS D 38 9.913 -22.563 3.708 1.00 52.46 C ATOM 3268 CE LYS D 38 10.231 -21.514 2.643 1.00 57.38 C ATOM 3269 NZ LYS D 38 9.037 -20.733 2.181 1.00 64.04 N ATOM 3270 N TRP D 39 11.578 -24.332 8.810 1.00 35.24 N ATOM 3271 CA TRP D 39 11.158 -24.885 10.087 1.00 31.04 C ATOM 3272 C TRP D 39 9.678 -25.170 10.045 1.00 33.11 C ATOM 3273 O TRP D 39 8.914 -24.337 9.567 1.00 40.14 O ATOM 3274 CB TRP D 39 11.397 -23.874 11.202 1.00 31.84 C ATOM 3275 CG TRP D 39 12.820 -23.510 11.433 1.00 37.05 C ATOM 3276 CD1 TRP D 39 13.900 -23.867 10.670 1.00 41.15 C ATOM 3277 CD2 TRP D 39 13.335 -22.733 12.518 1.00 41.26 C ATOM 3278 NE1 TRP D 39 15.050 -23.362 11.216 1.00 35.96 N ATOM 3279 CE2 TRP D 39 14.732 -22.655 12.351 1.00 33.36 C ATOM 3280 CE3 TRP D 39 12.747 -22.083 13.622 1.00 39.26 C ATOM 3281 CZ2 TRP D 39 15.554 -21.966 13.242 1.00 36.59 C ATOM 3282 CZ3 TRP D 39 13.565 -21.399 14.507 1.00 28.65 C ATOM 3283 CH2 TRP D 39 14.952 -21.340 14.309 1.00 29.37 C ATOM 3284 N TYR D 40 9.258 -26.326 10.549 1.00 29.02 N ATOM 3285 CA TYR D 40 7.829 -26.646 10.573 1.00 31.77 C ATOM 3286 C TYR D 40 7.428 -27.087 11.976 1.00 26.68 C ATOM 3287 O TYR D 40 6.281 -27.414 12.225 1.00 31.50 O ATOM 3288 CB TYR D 40 7.515 -27.736 9.527 1.00 38.05 C ATOM 3289 CG TYR D 40 8.061 -29.122 9.817 1.00 41.45 C ATOM 3290 CD1 TYR D 40 7.383 -29.989 10.681 1.00 48.16 C ATOM 3291 CD2 TYR D 40 9.247 -29.573 9.233 1.00 39.78 C ATOM 3292 CE1 TYR D 40 7.874 -31.271 10.958 1.00 57.50 C ATOM 3293 CE2 TYR D 40 9.750 -30.860 9.503 1.00 46.89 C ATOM 3294 CZ TYR D 40 9.062 -31.701 10.365 1.00 51.37 C ATOM 3295 OH TYR D 40 9.554 -32.957 10.660 1.00 56.65 O ATOM 3296 N ALA D 41 8.399 -27.062 12.886 1.00 27.54 N ATOM 3297 CA ALA D 41 8.209 -27.465 14.270 1.00 25.94 C ATOM 3298 C ALA D 41 9.342 -26.920 15.158 1.00 30.95 C ATOM 3299 O ALA D 41 10.524 -27.070 14.840 1.00 20.31 O ATOM 3300 CB ALA D 41 8.167 -28.979 14.350 1.00 25.18 C ATOM 3301 N LEU D 42 8.968 -26.295 16.274 1.00 36.42 N ATOM 3302 CA LEU D 42 9.923 -25.729 17.222 1.00 33.73 C ATOM 3303 C LEU D 42 9.650 -26.319 18.615 1.00 41.08 C ATOM 3304 O LEU D 42 8.642 -26.007 19.250 1.00 41.26 O ATOM 3305 CB LEU D 42 9.763 -24.208 17.289 1.00 30.48 C ATOM 3306 CG LEU D 42 10.969 -23.284 17.524 1.00 34.18 C ATOM 3307 CD1 LEU D 42 10.440 -21.976 18.077 1.00 30.19 C ATOM 3308 CD2 LEU D 42 11.997 -23.878 18.469 1.00 24.67 C ATOM 3309 N LEU D 43 10.562 -27.167 19.076 1.00 39.09 N ATOM 3310 CA LEU D 43 10.448 -27.802 20.376 1.00 36.23 C ATOM 3311 C LEU D 43 11.221 -26.966 21.382 1.00 39.35 C ATOM 3312 O LEU D 43 12.378 -26.642 21.143 1.00 32.83 O ATOM 3313 CB LEU D 43 11.050 -29.201 20.310 1.00 39.27 C ATOM 3314 CG LEU D 43 11.099 -29.992 21.608 1.00 34.94 C ATOM 3315 CD1 LEU D 43 9.693 -30.291 22.049 1.00 21.38 C ATOM 3316 CD2 LEU D 43 11.906 -31.260 21.397 1.00 28.37 C HETATM 3317 N MSE D 44 10.584 -26.624 22.500 1.00 40.80 N HETATM 3318 CA MSE D 44 11.223 -25.820 23.536 1.00 40.45 C HETATM 3319 C MSE D 44 10.792 -26.176 24.932 1.00 41.78 C HETATM 3320 O MSE D 44 9.673 -26.611 25.161 1.00 49.97 O HETATM 3321 CB MSE D 44 10.912 -24.343 23.354 1.00 37.09 C HETATM 3322 CG MSE D 44 11.440 -23.736 22.088 1.00 51.93 C HETATM 3323 SE MSE D 44 10.898 -21.917 21.980 1.00 62.90 HETATM 3324 CE MSE D 44 9.112 -22.173 21.240 1.00 59.37 C ATOM 3325 N ASP D 45 11.699 -25.948 25.868 1.00 47.15 N ATOM 3326 CA ASP D 45 11.447 -26.170 27.281 1.00 42.24 C ATOM 3327 C ASP D 45 11.428 -24.761 27.870 1.00 39.74 C ATOM 3328 O ASP D 45 12.479 -24.128 27.962 1.00 36.57 O ATOM 3329 CB ASP D 45 12.590 -26.966 27.890 1.00 42.70 C ATOM 3330 CG ASP D 45 12.476 -27.077 29.383 1.00 44.76 C ATOM 3331 OD1 ASP D 45 11.471 -27.663 29.851 1.00 43.32 O ATOM 3332 OD2 ASP D 45 13.390 -26.582 30.085 1.00 45.23 O ATOM 3333 N ILE D 46 10.254 -24.267 28.260 1.00 30.80 N ATOM 3334 CA ILE D 46 10.159 -22.910 28.792 1.00 33.94 C ATOM 3335 C ILE D 46 9.449 -22.763 30.132 1.00 35.34 C ATOM 3336 O ILE D 46 8.763 -23.667 30.592 1.00 38.11 O ATOM 3337 CB ILE D 46 9.438 -21.978 27.799 1.00 25.60 C ATOM 3338 CG1 ILE D 46 8.003 -22.469 27.576 1.00 33.31 C ATOM 3339 CG2 ILE D 46 10.207 -21.934 26.493 1.00 36.91 C ATOM 3340 CD1 ILE D 46 7.095 -21.489 26.856 1.00 30.51 C ATOM 3341 N PRO D 47 9.625 -21.604 30.786 1.00 40.66 N ATOM 3342 CA PRO D 47 8.973 -21.354 32.076 1.00 43.37 C ATOM 3343 C PRO D 47 7.454 -21.221 31.828 1.00 44.99 C ATOM 3344 O PRO D 47 7.027 -20.447 30.975 1.00 51.72 O ATOM 3345 CB PRO D 47 9.603 -20.034 32.522 1.00 39.94 C ATOM 3346 CG PRO D 47 10.953 -20.066 31.878 1.00 25.56 C ATOM 3347 CD PRO D 47 10.628 -20.559 30.507 1.00 33.35 C ATOM 3348 N ALA D 48 6.650 -21.976 32.564 1.00 42.16 N ATOM 3349 CA ALA D 48 5.208 -21.931 32.390 1.00 45.08 C ATOM 3350 C ALA D 48 4.665 -20.503 32.241 1.00 50.13 C ATOM 3351 O ALA D 48 3.778 -20.250 31.417 1.00 57.88 O ATOM 3352 CB ALA D 48 4.524 -22.635 33.554 1.00 43.32 C ATOM 3353 N GLU D 49 5.208 -19.570 33.023 1.00 50.19 N ATOM 3354 CA GLU D 49 4.775 -18.167 33.007 1.00 56.95 C ATOM 3355 C GLU D 49 4.799 -17.502 31.610 1.00 55.16 C ATOM 3356 O GLU D 49 3.847 -16.823 31.229 1.00 51.59 O ATOM 3357 CB GLU D 49 5.629 -17.348 33.993 1.00 60.79 C ATOM 3358 CG GLU D 49 7.100 -17.218 33.565 1.00 71.13 C ATOM 3359 CD GLU D 49 7.753 -15.913 34.036 1.00 75.91 C ATOM 3360 OE1 GLU D 49 7.130 -14.832 33.825 1.00 71.50 O ATOM 3361 OE2 GLU D 49 8.895 -15.969 34.590 1.00 80.67 O ATOM 3362 N LYS D 50 5.880 -17.701 30.861 1.00 49.98 N ATOM 3363 CA LYS D 50 6.023 -17.146 29.514 1.00 45.91 C ATOM 3364 C LYS D 50 4.806 -17.323 28.578 1.00 47.66 C ATOM 3365 O LYS D 50 4.690 -16.612 27.570 1.00 39.02 O ATOM 3366 CB LYS D 50 7.260 -17.739 28.823 1.00 51.87 C ATOM 3367 CG LYS D 50 8.618 -17.235 29.334 1.00 57.30 C ATOM 3368 CD LYS D 50 8.941 -15.837 28.771 1.00 61.01 C ATOM 3369 CE LYS D 50 10.283 -15.281 29.278 1.00 55.57 C ATOM 3370 NZ LYS D 50 10.243 -14.922 30.730 1.00 44.77 N ATOM 3371 N ILE D 51 3.922 -18.284 28.873 1.00 52.56 N ATOM 3372 CA ILE D 51 2.720 -18.483 28.038 1.00 52.25 C ATOM 3373 C ILE D 51 1.418 -18.424 28.826 1.00 54.45 C ATOM 3374 O ILE D 51 0.419 -19.051 28.444 1.00 52.30 O ATOM 3375 CB ILE D 51 2.714 -19.837 27.233 1.00 51.48 C ATOM 3376 CG1 ILE D 51 2.695 -21.031 28.198 1.00 51.89 C ATOM 3377 CG2 ILE D 51 3.874 -19.865 26.241 1.00 37.37 C ATOM 3378 CD1 ILE D 51 2.395 -22.354 27.500 1.00 48.60 C ATOM 3379 N GLY D 52 1.438 -17.677 29.925 1.00 54.59 N ATOM 3380 CA GLY D 52 0.238 -17.510 30.721 1.00 53.52 C ATOM 3381 C GLY D 52 -0.066 -18.530 31.793 1.00 53.44 C ATOM 3382 O GLY D 52 -0.714 -18.201 32.799 1.00 52.86 O ATOM 3383 N ILE D 53 0.364 -19.770 31.611 1.00 54.42 N ATOM 3384 CA ILE D 53 0.082 -20.719 32.663 1.00 59.39 C ATOM 3385 C ILE D 53 0.976 -20.351 33.867 1.00 63.71 C ATOM 3386 O ILE D 53 2.171 -20.052 33.710 1.00 60.79 O ATOM 3387 CB ILE D 53 0.286 -22.191 32.186 1.00 53.07 C ATOM 3388 CG1 ILE D 53 0.142 -23.134 33.391 1.00 57.42 C ATOM 3389 CG2 ILE D 53 1.570 -22.313 31.413 1.00 54.20 C ATOM 3390 CD1 ILE D 53 -1.285 -23.108 34.049 1.00 57.67 C ATOM 3391 N ASN D 54 0.355 -20.320 35.049 1.00 70.91 N ATOM 3392 CA ASN D 54 1.005 -19.968 36.319 1.00 75.74 C ATOM 3393 C ASN D 54 1.851 -21.104 36.931 1.00 80.01 C ATOM 3394 O ASN D 54 2.285 -22.013 36.209 1.00 89.05 O ATOM 3395 CB ASN D 54 -0.063 -19.518 37.319 1.00 76.41 C ATOM 3396 CG ASN D 54 -1.283 -20.459 37.332 1.00 86.92 C ATOM 3397 OD1 ASN D 54 -1.141 -21.695 37.513 1.00 86.99 O ATOM 3398 ND2 ASN D 54 -2.490 -19.885 37.141 1.00 83.78 N ATOM 3399 N GLY D 55 2.079 -21.066 38.250 1.00 77.02 N ATOM 3400 CA GLY D 55 2.908 -22.089 38.895 1.00 75.83 C ATOM 3401 C GLY D 55 4.381 -21.900 38.521 1.00 78.15 C ATOM 3402 O GLY D 55 4.708 -21.764 37.334 1.00 79.43 O ATOM 3403 N ASP D 56 5.286 -21.889 39.507 1.00 76.08 N ATOM 3404 CA ASP D 56 6.726 -21.701 39.221 1.00 69.36 C ATOM 3405 C ASP D 56 7.286 -23.021 38.696 1.00 63.08 C ATOM 3406 O ASP D 56 8.104 -23.684 39.346 1.00 63.68 O ATOM 3407 CB ASP D 56 7.482 -21.253 40.493 1.00 75.04 C ATOM 3408 CG ASP D 56 8.926 -20.795 40.204 1.00 85.00 C ATOM 3409 OD1 ASP D 56 9.592 -20.253 41.144 1.00 87.71 O ATOM 3410 OD2 ASP D 56 9.408 -20.983 39.045 1.00 87.18 O ATOM 3411 N LYS D 57 6.831 -23.385 37.503 1.00 55.59 N ATOM 3412 CA LYS D 57 7.229 -24.627 36.881 1.00 50.26 C ATOM 3413 C LYS D 57 7.607 -24.427 35.425 1.00 44.09 C ATOM 3414 O LYS D 57 7.241 -23.419 34.839 1.00 43.33 O ATOM 3415 CB LYS D 57 6.070 -25.597 36.943 1.00 50.84 C ATOM 3416 CG LYS D 57 4.871 -25.110 36.181 1.00 46.96 C ATOM 3417 CD LYS D 57 3.982 -26.301 35.808 1.00 52.77 C ATOM 3418 CE LYS D 57 2.782 -25.832 34.978 1.00 50.60 C ATOM 3419 NZ LYS D 57 2.013 -26.958 34.347 1.00 54.64 N ATOM 3420 N ARG D 58 8.327 -25.386 34.843 1.00 44.18 N ATOM 3421 CA ARG D 58 8.699 -25.313 33.427 1.00 39.55 C ATOM 3422 C ARG D 58 7.669 -26.167 32.649 1.00 40.06 C ATOM 3423 O ARG D 58 6.912 -26.955 33.237 1.00 33.91 O ATOM 3424 CB ARG D 58 10.098 -25.917 33.172 1.00 44.23 C ATOM 3425 CG ARG D 58 11.192 -25.726 34.241 1.00 38.79 C ATOM 3426 CD ARG D 58 12.089 -24.558 33.924 1.00 27.26 C ATOM 3427 NE ARG D 58 12.422 -24.532 32.502 1.00 35.36 N ATOM 3428 CZ ARG D 58 13.140 -23.575 31.910 1.00 39.86 C ATOM 3429 NH1 ARG D 58 13.614 -22.549 32.607 1.00 31.68 N ATOM 3430 NH2 ARG D 58 13.391 -23.632 30.613 1.00 35.91 N ATOM 3431 N VAL D 59 7.661 -26.014 31.323 1.00 43.03 N ATOM 3432 CA VAL D 59 6.777 -26.775 30.422 1.00 38.58 C ATOM 3433 C VAL D 59 7.477 -27.053 29.073 1.00 43.87 C ATOM 3434 O VAL D 59 8.356 -26.301 28.653 1.00 43.72 O ATOM 3435 CB VAL D 59 5.444 -26.017 30.113 1.00 31.12 C ATOM 3436 CG1 VAL D 59 4.571 -25.951 31.352 1.00 39.18 C ATOM 3437 CG2 VAL D 59 5.739 -24.612 29.602 1.00 29.71 C ATOM 3438 N ASP D 60 7.107 -28.143 28.403 1.00 43.89 N ATOM 3439 CA ASP D 60 7.676 -28.451 27.097 1.00 38.90 C ATOM 3440 C ASP D 60 6.582 -28.178 26.087 1.00 45.84 C ATOM 3441 O ASP D 60 5.485 -28.737 26.188 1.00 51.29 O ATOM 3442 CB ASP D 60 8.122 -29.909 27.007 1.00 45.08 C ATOM 3443 CG ASP D 60 9.579 -30.093 27.392 1.00 56.25 C ATOM 3444 OD1 ASP D 60 10.145 -29.181 28.039 1.00 52.99 O ATOM 3445 OD2 ASP D 60 10.158 -31.153 27.059 1.00 60.66 O ATOM 3446 N VAL D 61 6.879 -27.316 25.120 1.00 33.23 N ATOM 3447 CA VAL D 61 5.918 -26.931 24.099 1.00 27.42 C ATOM 3448 C VAL D 61 6.503 -27.049 22.681 1.00 28.92 C ATOM 3449 O VAL D 61 7.709 -27.056 22.488 1.00 21.03 O ATOM 3450 CB VAL D 61 5.432 -25.462 24.358 1.00 31.81 C ATOM 3451 CG1 VAL D 61 5.044 -25.301 25.820 1.00 29.91 C ATOM 3452 CG2 VAL D 61 6.530 -24.438 24.000 1.00 23.69 C ATOM 3453 N ILE D 62 5.637 -27.180 21.688 1.00 31.00 N ATOM 3454 CA ILE D 62 6.093 -27.236 20.314 1.00 30.72 C ATOM 3455 C ILE D 62 5.336 -26.169 19.549 1.00 31.07 C ATOM 3456 O ILE D 62 4.143 -25.961 19.774 1.00 24.40 O ATOM 3457 CB ILE D 62 5.827 -28.580 19.632 1.00 22.55 C ATOM 3458 CG1 ILE D 62 4.374 -28.958 19.802 1.00 25.12 C ATOM 3459 CG2 ILE D 62 6.805 -29.625 20.126 1.00 25.51 C ATOM 3460 CD1 ILE D 62 3.935 -30.058 18.873 1.00 43.62 C ATOM 3461 N ASP D 63 6.049 -25.489 18.657 1.00 31.65 N ATOM 3462 CA ASP D 63 5.463 -24.455 17.837 1.00 34.41 C ATOM 3463 C ASP D 63 5.256 -25.016 16.451 1.00 34.88 C ATOM 3464 O ASP D 63 6.161 -25.611 15.859 1.00 32.74 O ATOM 3465 CB ASP D 63 6.370 -23.240 17.811 1.00 41.21 C ATOM 3466 CG ASP D 63 6.089 -22.302 18.965 1.00 49.17 C ATOM 3467 OD1 ASP D 63 5.714 -22.791 20.049 1.00 48.95 O ATOM 3468 OD2 ASP D 63 6.244 -21.079 18.803 1.00 50.61 O ATOM 3469 N LEU D 64 4.043 -24.822 15.951 1.00 28.98 N ATOM 3470 CA LEU D 64 3.616 -25.313 14.649 1.00 33.34 C ATOM 3471 C LEU D 64 3.049 -24.184 13.806 1.00 30.18 C ATOM 3472 O LEU D 64 2.486 -23.243 14.340 1.00 36.50 O ATOM 3473 CB LEU D 64 2.562 -26.410 14.862 1.00 28.20 C ATOM 3474 CG LEU D 64 3.020 -27.877 14.960 1.00 40.63 C ATOM 3475 CD1 LEU D 64 4.321 -28.014 15.726 1.00 34.83 C ATOM 3476 CD2 LEU D 64 1.922 -28.693 15.619 1.00 41.40 C ATOM 3477 N LYS D 65 3.197 -24.271 12.490 1.00 36.37 N ATOM 3478 CA LYS D 65 2.674 -23.229 11.607 1.00 34.48 C ATOM 3479 C LYS D 65 1.269 -23.590 11.139 1.00 34.13 C ATOM 3480 O LYS D 65 0.988 -24.735 10.788 1.00 38.00 O ATOM 3481 CB LYS D 65 3.591 -23.063 10.399 1.00 46.96 C ATOM 3482 CG LYS D 65 3.332 -21.846 9.525 1.00 44.61 C ATOM 3483 CD LYS D 65 4.271 -21.872 8.320 1.00 52.50 C ATOM 3484 CE LYS D 65 4.951 -20.531 8.069 1.00 53.09 C ATOM 3485 NZ LYS D 65 3.997 -19.410 7.876 1.00 48.44 N ATOM 3486 N VAL D 66 0.376 -22.614 11.146 1.00 32.76 N ATOM 3487 CA VAL D 66 -0.986 -22.869 10.712 1.00 29.65 C ATOM 3488 C VAL D 66 -1.444 -21.747 9.806 1.00 33.55 C ATOM 3489 O VAL D 66 -0.729 -20.768 9.604 1.00 40.78 O ATOM 3490 CB VAL D 66 -1.951 -22.985 11.913 1.00 29.65 C ATOM 3491 CG1 VAL D 66 -1.445 -24.045 12.883 1.00 42.04 C ATOM 3492 CG2 VAL D 66 -2.066 -21.671 12.625 1.00 35.56 C ATOM 3493 N GLN D 67 -2.628 -21.900 9.236 1.00 36.98 N ATOM 3494 CA GLN D 67 -3.171 -20.877 8.371 1.00 35.38 C ATOM 3495 C GLN D 67 -3.734 -19.767 9.249 1.00 37.28 C ATOM 3496 O GLN D 67 -4.492 -20.017 10.178 1.00 33.79 O ATOM 3497 CB GLN D 67 -4.249 -21.472 7.482 1.00 40.70 C ATOM 3498 CG GLN D 67 -3.717 -22.480 6.490 1.00 54.74 C ATOM 3499 CD GLN D 67 -4.556 -23.740 6.439 1.00 67.58 C ATOM 3500 OE1 GLN D 67 -5.723 -23.715 6.040 1.00 70.40 O ATOM 3501 NE2 GLN D 67 -3.967 -24.854 6.864 1.00 69.55 N ATOM 3502 N PRO D 68 -3.368 -18.514 8.951 1.00 41.54 N ATOM 3503 CA PRO D 68 -3.818 -17.346 9.705 1.00 39.48 C ATOM 3504 C PRO D 68 -5.305 -17.295 10.073 1.00 41.17 C ATOM 3505 O PRO D 68 -5.661 -16.702 11.090 1.00 44.27 O ATOM 3506 CB PRO D 68 -3.375 -16.180 8.822 1.00 38.85 C ATOM 3507 CG PRO D 68 -3.389 -16.772 7.449 1.00 41.57 C ATOM 3508 CD PRO D 68 -2.743 -18.097 7.685 1.00 39.94 C ATOM 3509 N GLU D 69 -6.183 -17.905 9.281 1.00 45.83 N ATOM 3510 CA GLU D 69 -7.609 -17.875 9.632 1.00 45.27 C ATOM 3511 C GLU D 69 -7.977 -18.941 10.664 1.00 41.72 C ATOM 3512 O GLU D 69 -9.122 -19.011 11.103 1.00 39.22 O ATOM 3513 CB GLU D 69 -8.497 -18.021 8.382 1.00 44.48 C ATOM 3514 CG GLU D 69 -8.582 -19.414 7.761 1.00 46.66 C ATOM 3515 CD GLU D 69 -7.539 -19.666 6.688 1.00 54.43 C ATOM 3516 OE1 GLU D 69 -7.693 -20.659 5.935 1.00 55.04 O ATOM 3517 OE2 GLU D 69 -6.569 -18.879 6.589 1.00 54.89 O ATOM 3518 N LEU D 70 -7.006 -19.767 11.052 1.00 43.23 N ATOM 3519 CA LEU D 70 -7.251 -20.813 12.045 1.00 44.49 C ATOM 3520 C LEU D 70 -6.602 -20.510 13.398 1.00 42.87 C ATOM 3521 O LEU D 70 -6.931 -21.145 14.396 1.00 45.10 O ATOM 3522 CB LEU D 70 -6.748 -22.162 11.537 1.00 36.42 C ATOM 3523 CG LEU D 70 -7.491 -22.674 10.317 1.00 40.67 C ATOM 3524 CD1 LEU D 70 -6.807 -23.912 9.789 1.00 32.10 C ATOM 3525 CD2 LEU D 70 -8.940 -22.962 10.677 1.00 39.44 C ATOM 3526 N VAL D 71 -5.696 -19.538 13.434 1.00 42.15 N ATOM 3527 CA VAL D 71 -5.027 -19.191 14.679 1.00 42.00 C ATOM 3528 C VAL D 71 -6.002 -18.770 15.769 1.00 40.70 C ATOM 3529 O VAL D 71 -5.840 -19.139 16.935 1.00 42.52 O ATOM 3530 CB VAL D 71 -4.003 -18.070 14.462 1.00 33.70 C ATOM 3531 CG1 VAL D 71 -3.335 -17.709 15.774 1.00 35.69 C ATOM 3532 CG2 VAL D 71 -2.963 -18.521 13.476 1.00 36.44 C ATOM 3533 N GLY D 72 -7.010 -17.997 15.385 1.00 44.31 N ATOM 3534 CA GLY D 72 -7.997 -17.539 16.345 1.00 45.65 C ATOM 3535 C GLY D 72 -8.793 -18.670 16.980 1.00 52.38 C ATOM 3536 O GLY D 72 -8.952 -18.701 18.203 1.00 55.59 O ATOM 3537 N SER D 73 -9.289 -19.591 16.153 1.00 51.13 N ATOM 3538 CA SER D 73 -10.075 -20.742 16.608 1.00 44.46 C ATOM 3539 C SER D 73 -9.258 -21.802 17.358 1.00 40.62 C ATOM 3540 O SER D 73 -9.710 -22.348 18.368 1.00 43.51 O ATOM 3541 CB SER D 73 -10.787 -21.382 15.414 1.00 40.57 C ATOM 3542 OG SER D 73 -9.883 -21.622 14.354 1.00 54.19 O ATOM 3543 N LEU D 74 -8.063 -22.104 16.863 1.00 40.15 N ATOM 3544 CA LEU D 74 -7.201 -23.079 17.521 1.00 39.99 C ATOM 3545 C LEU D 74 -6.858 -22.603 18.931 1.00 43.61 C ATOM 3546 O LEU D 74 -7.049 -23.332 19.894 1.00 44.01 O ATOM 3547 CB LEU D 74 -5.916 -23.271 16.722 1.00 39.63 C ATOM 3548 CG LEU D 74 -5.754 -24.583 15.955 1.00 40.30 C ATOM 3549 CD1 LEU D 74 -6.986 -24.840 15.109 1.00 44.86 C ATOM 3550 CD2 LEU D 74 -4.503 -24.518 15.080 1.00 49.37 C ATOM 3551 N ARG D 75 -6.359 -21.374 19.046 1.00 41.45 N ATOM 3552 CA ARG D 75 -5.988 -20.806 20.338 1.00 38.08 C ATOM 3553 C ARG D 75 -7.077 -20.905 21.392 1.00 41.17 C ATOM 3554 O ARG D 75 -6.801 -20.788 22.584 1.00 50.38 O ATOM 3555 CB ARG D 75 -5.583 -19.334 20.181 1.00 42.26 C ATOM 3556 CG ARG D 75 -4.176 -19.134 19.639 1.00 44.63 C ATOM 3557 CD ARG D 75 -3.885 -17.688 19.274 1.00 41.73 C ATOM 3558 NE ARG D 75 -3.970 -16.776 20.401 1.00 53.49 N ATOM 3559 CZ ARG D 75 -3.671 -15.484 20.327 1.00 57.73 C ATOM 3560 NH1 ARG D 75 -3.263 -14.956 19.182 1.00 49.57 N ATOM 3561 NH2 ARG D 75 -3.795 -14.710 21.396 1.00 67.26 N ATOM 3562 N LYS D 76 -8.313 -21.108 20.948 1.00 43.15 N ATOM 3563 CA LYS D 76 -9.455 -21.219 21.847 1.00 47.72 C ATOM 3564 C LYS D 76 -9.507 -22.601 22.486 1.00 48.71 C ATOM 3565 O LYS D 76 -10.157 -22.796 23.511 1.00 40.32 O ATOM 3566 CB LYS D 76 -10.756 -20.943 21.076 1.00 52.68 C ATOM 3567 CG LYS D 76 -11.319 -19.524 21.250 1.00 57.80 C ATOM 3568 CD LYS D 76 -12.218 -19.090 20.069 1.00 68.76 C ATOM 3569 CE LYS D 76 -13.384 -20.066 19.804 1.00 72.53 C ATOM 3570 NZ LYS D 76 -14.010 -19.836 18.444 1.00 74.46 N ATOM 3571 N LYS D 77 -8.836 -23.565 21.872 1.00 53.73 N ATOM 3572 CA LYS D 77 -8.831 -24.903 22.435 1.00 54.82 C ATOM 3573 C LYS D 77 -7.948 -24.927 23.667 1.00 56.63 C ATOM 3574 O LYS D 77 -7.104 -24.049 23.866 1.00 48.41 O ATOM 3575 CB LYS D 77 -8.313 -25.943 21.428 1.00 58.67 C ATOM 3576 CG LYS D 77 -9.316 -26.303 20.365 1.00 63.50 C ATOM 3577 CD LYS D 77 -8.870 -27.485 19.542 1.00 54.42 C ATOM 3578 CE LYS D 77 -9.957 -27.844 18.546 1.00 56.62 C ATOM 3579 NZ LYS D 77 -9.602 -29.058 17.774 1.00 67.93 N ATOM 3580 N PRO D 78 -8.169 -25.919 24.538 1.00 61.89 N ATOM 3581 CA PRO D 78 -7.364 -26.044 25.747 1.00 62.70 C ATOM 3582 C PRO D 78 -6.058 -26.733 25.377 1.00 60.25 C ATOM 3583 O PRO D 78 -6.055 -27.763 24.691 1.00 54.22 O ATOM 3584 CB PRO D 78 -8.250 -26.882 26.665 1.00 65.59 C ATOM 3585 CG PRO D 78 -9.023 -27.729 25.701 1.00 65.24 C ATOM 3586 CD PRO D 78 -9.391 -26.739 24.637 1.00 62.15 C ATOM 3587 N GLY D 79 -4.955 -26.142 25.816 1.00 57.00 N ATOM 3588 CA GLY D 79 -3.651 -26.708 25.522 1.00 62.54 C ATOM 3589 C GLY D 79 -2.908 -25.992 24.406 1.00 54.45 C ATOM 3590 O GLY D 79 -1.719 -26.221 24.189 1.00 57.07 O ATOM 3591 N ILE D 80 -3.622 -25.132 23.688 1.00 50.29 N ATOM 3592 CA ILE D 80 -3.053 -24.360 22.595 1.00 41.80 C ATOM 3593 C ILE D 80 -3.010 -22.905 23.059 1.00 41.36 C ATOM 3594 O ILE D 80 -4.010 -22.362 23.535 1.00 38.25 O ATOM 3595 CB ILE D 80 -3.914 -24.500 21.324 1.00 33.82 C ATOM 3596 CG1 ILE D 80 -3.930 -25.965 20.897 1.00 26.32 C ATOM 3597 CG2 ILE D 80 -3.365 -23.629 20.210 1.00 31.95 C ATOM 3598 CD1 ILE D 80 -4.940 -26.306 19.833 1.00 19.45 C ATOM 3599 N TYR D 81 -1.832 -22.295 22.938 1.00 38.89 N ATOM 3600 CA TYR D 81 -1.613 -20.914 23.349 1.00 40.45 C ATOM 3601 C TYR D 81 -1.041 -20.124 22.177 1.00 46.35 C ATOM 3602 O TYR D 81 -0.751 -20.687 21.126 1.00 44.52 O ATOM 3603 CB TYR D 81 -0.625 -20.874 24.531 1.00 34.62 C ATOM 3604 CG TYR D 81 -1.037 -21.708 25.722 1.00 42.99 C ATOM 3605 CD1 TYR D 81 -1.002 -23.101 25.670 1.00 42.42 C ATOM 3606 CD2 TYR D 81 -1.527 -21.103 26.885 1.00 46.00 C ATOM 3607 CE1 TYR D 81 -1.458 -23.877 26.744 1.00 45.61 C ATOM 3608 CE2 TYR D 81 -1.984 -21.864 27.967 1.00 41.47 C ATOM 3609 CZ TYR D 81 -1.954 -23.253 27.889 1.00 48.96 C ATOM 3610 OH TYR D 81 -2.461 -24.028 28.913 1.00 43.06 O ATOM 3611 N PRO D 82 -0.897 -18.796 22.340 1.00 52.72 N ATOM 3612 CA PRO D 82 -0.350 -17.907 21.306 1.00 49.64 C ATOM 3613 C PRO D 82 1.111 -18.247 21.031 1.00 45.90 C ATOM 3614 O PRO D 82 1.839 -18.611 21.941 1.00 41.96 O ATOM 3615 CB PRO D 82 -0.504 -16.525 21.929 1.00 54.60 C ATOM 3616 CG PRO D 82 -1.750 -16.682 22.750 1.00 54.58 C ATOM 3617 CD PRO D 82 -1.517 -18.009 23.420 1.00 51.91 C ATOM 3618 N ALA D 83 1.536 -18.122 19.781 1.00 42.78 N ATOM 3619 CA ALA D 83 2.912 -18.448 19.428 1.00 47.77 C ATOM 3620 C ALA D 83 3.944 -17.771 20.333 1.00 50.40 C ATOM 3621 O ALA D 83 3.889 -16.563 20.574 1.00 56.36 O ATOM 3622 CB ALA D 83 3.181 -18.083 17.981 1.00 49.36 C ATOM 3623 N TYR D 84 4.887 -18.563 20.826 1.00 42.18 N ATOM 3624 CA TYR D 84 5.944 -18.061 21.681 1.00 39.61 C ATOM 3625 C TYR D 84 7.234 -18.048 20.878 1.00 42.58 C ATOM 3626 O TYR D 84 7.633 -19.070 20.333 1.00 40.01 O ATOM 3627 CB TYR D 84 6.111 -18.959 22.899 1.00 42.53 C ATOM 3628 CG TYR D 84 7.221 -18.510 23.814 1.00 45.77 C ATOM 3629 CD1 TYR D 84 7.082 -17.361 24.597 1.00 53.21 C ATOM 3630 CD2 TYR D 84 8.424 -19.208 23.875 1.00 43.11 C ATOM 3631 CE1 TYR D 84 8.116 -16.918 25.413 1.00 55.02 C ATOM 3632 CE2 TYR D 84 9.462 -18.777 24.681 1.00 54.41 C ATOM 3633 CZ TYR D 84 9.303 -17.628 25.448 1.00 57.62 C ATOM 3634 OH TYR D 84 10.333 -17.181 26.233 1.00 57.12 O ATOM 3635 N HIS D 85 7.886 -16.887 20.823 1.00 45.09 N ATOM 3636 CA HIS D 85 9.142 -16.688 20.076 1.00 49.06 C ATOM 3637 C HIS D 85 8.972 -16.823 18.566 1.00 49.03 C ATOM 3638 O HIS D 85 9.957 -16.899 17.838 1.00 50.94 O ATOM 3639 CB HIS D 85 10.247 -17.656 20.524 1.00 60.17 C ATOM 3640 CG HIS D 85 11.078 -17.160 21.671 1.00 75.31 C ATOM 3641 ND1 HIS D 85 12.315 -17.691 21.969 1.00 76.34 N ATOM 3642 CD2 HIS D 85 10.821 -16.240 22.632 1.00 77.90 C ATOM 3643 CE1 HIS D 85 12.783 -17.125 23.069 1.00 84.28 C ATOM 3644 NE2 HIS D 85 11.896 -16.241 23.490 1.00 87.47 N HETATM 3645 N MSE D 86 7.725 -16.858 18.104 1.00 45.14 N HETATM 3646 CA MSE D 86 7.445 -16.952 16.681 1.00 38.00 C HETATM 3647 C MSE D 86 6.344 -15.964 16.382 1.00 34.55 C HETATM 3648 O MSE D 86 5.762 -15.398 17.296 1.00 34.81 O HETATM 3649 CB MSE D 86 7.006 -18.369 16.302 1.00 35.30 C HETATM 3650 CG MSE D 86 8.081 -19.431 16.510 1.00 50.82 C HETATM 3651 SE MSE D 86 9.587 -19.257 15.264 1.00 75.83 HETATM 3652 CE MSE D 86 9.027 -20.535 13.923 1.00 59.82 C ATOM 3653 N ASN D 87 6.067 -15.762 15.101 1.00 34.00 N ATOM 3654 CA ASN D 87 5.038 -14.832 14.658 1.00 35.15 C ATOM 3655 C ASN D 87 3.655 -15.305 15.074 1.00 40.95 C ATOM 3656 O ASN D 87 3.217 -16.385 14.691 1.00 45.46 O ATOM 3657 CB ASN D 87 5.106 -14.687 13.145 1.00 33.76 C ATOM 3658 CG ASN D 87 4.161 -13.642 12.628 1.00 32.62 C ATOM 3659 OD1 ASN D 87 2.950 -13.847 12.583 1.00 31.18 O ATOM 3660 ND2 ASN D 87 4.707 -12.498 12.235 1.00 41.58 N ATOM 3661 N LYS D 88 2.943 -14.484 15.831 1.00 41.72 N ATOM 3662 CA LYS D 88 1.635 -14.896 16.312 1.00 38.58 C ATOM 3663 C LYS D 88 0.502 -15.071 15.285 1.00 40.00 C ATOM 3664 O LYS D 88 -0.460 -15.804 15.535 1.00 47.80 O ATOM 3665 CB LYS D 88 1.197 -13.958 17.436 1.00 37.08 C ATOM 3666 CG LYS D 88 2.272 -13.722 18.507 1.00 46.54 C ATOM 3667 CD LYS D 88 1.619 -13.604 19.899 1.00 54.62 C ATOM 3668 CE LYS D 88 2.444 -12.766 20.927 1.00 52.49 C ATOM 3669 NZ LYS D 88 2.443 -11.240 20.709 1.00 51.38 N ATOM 3670 N GLU D 89 0.602 -14.420 14.135 1.00 34.10 N ATOM 3671 CA GLU D 89 -0.441 -14.547 13.125 1.00 36.20 C ATOM 3672 C GLU D 89 -0.267 -15.792 12.260 1.00 36.40 C ATOM 3673 O GLU D 89 -1.162 -16.161 11.507 1.00 43.82 O ATOM 3674 CB GLU D 89 -0.457 -13.304 12.244 1.00 41.96 C ATOM 3675 CG GLU D 89 -0.895 -12.056 12.978 1.00 63.91 C ATOM 3676 CD GLU D 89 -0.607 -10.790 12.198 1.00 79.72 C ATOM 3677 OE1 GLU D 89 -1.070 -10.689 11.038 1.00 80.93 O ATOM 3678 OE2 GLU D 89 0.089 -9.901 12.743 1.00 82.35 O ATOM 3679 N HIS D 90 0.880 -16.446 12.378 1.00 31.01 N ATOM 3680 CA HIS D 90 1.145 -17.642 11.596 1.00 28.19 C ATOM 3681 C HIS D 90 1.516 -18.871 12.412 1.00 27.73 C ATOM 3682 O HIS D 90 1.432 -19.987 11.917 1.00 26.82 O ATOM 3683 CB HIS D 90 2.250 -17.347 10.594 1.00 34.57 C ATOM 3684 CG HIS D 90 1.832 -16.420 9.503 1.00 38.46 C ATOM 3685 ND1 HIS D 90 1.135 -16.849 8.396 1.00 46.84 N ATOM 3686 CD2 HIS D 90 1.974 -15.083 9.371 1.00 32.63 C ATOM 3687 CE1 HIS D 90 0.865 -15.812 7.624 1.00 48.15 C ATOM 3688 NE2 HIS D 90 1.362 -14.729 8.192 1.00 43.51 N ATOM 3689 N TRP D 91 1.921 -18.662 13.660 1.00 24.16 N ATOM 3690 CA TRP D 91 2.312 -19.777 14.500 1.00 28.09 C ATOM 3691 C TRP D 91 1.427 -19.979 15.713 1.00 30.14 C ATOM 3692 O TRP D 91 0.696 -19.084 16.142 1.00 27.82 O ATOM 3693 CB TRP D 91 3.794 -19.674 14.917 1.00 31.03 C ATOM 3694 CG TRP D 91 4.752 -19.819 13.742 1.00 31.10 C ATOM 3695 CD1 TRP D 91 5.003 -18.891 12.773 1.00 30.36 C ATOM 3696 CD2 TRP D 91 5.502 -20.992 13.375 1.00 33.69 C ATOM 3697 NE1 TRP D 91 5.852 -19.410 11.827 1.00 37.99 N ATOM 3698 CE2 TRP D 91 6.174 -20.694 12.171 1.00 41.05 C ATOM 3699 CE3 TRP D 91 5.662 -22.264 13.945 1.00 37.00 C ATOM 3700 CZ2 TRP D 91 7.004 -21.621 11.528 1.00 32.58 C ATOM 3701 CZ3 TRP D 91 6.488 -23.184 13.306 1.00 37.03 C ATOM 3702 CH2 TRP D 91 7.147 -22.854 12.107 1.00 31.20 C ATOM 3703 N ILE D 92 1.514 -21.193 16.247 1.00 33.68 N ATOM 3704 CA ILE D 92 0.744 -21.674 17.382 1.00 24.46 C ATOM 3705 C ILE D 92 1.695 -22.402 18.310 1.00 28.61 C ATOM 3706 O ILE D 92 2.657 -23.007 17.862 1.00 24.97 O ATOM 3707 CB ILE D 92 -0.323 -22.652 16.848 1.00 32.51 C ATOM 3708 CG1 ILE D 92 -1.520 -21.851 16.399 1.00 38.31 C ATOM 3709 CG2 ILE D 92 -0.757 -23.643 17.886 1.00 39.94 C ATOM 3710 CD1 ILE D 92 -2.072 -21.035 17.533 1.00 55.98 C ATOM 3711 N THR D 93 1.437 -22.341 19.604 1.00 28.03 N ATOM 3712 CA THR D 93 2.280 -23.035 20.567 1.00 31.95 C ATOM 3713 C THR D 93 1.424 -24.104 21.240 1.00 36.30 C ATOM 3714 O THR D 93 0.436 -23.775 21.906 1.00 35.26 O ATOM 3715 CB THR D 93 2.836 -22.075 21.646 1.00 26.88 C ATOM 3716 OG1 THR D 93 3.786 -21.193 21.042 1.00 30.50 O ATOM 3717 CG2 THR D 93 3.503 -22.848 22.768 1.00 28.02 C ATOM 3718 N VAL D 94 1.782 -25.375 21.059 1.00 30.81 N ATOM 3719 CA VAL D 94 1.010 -26.451 21.674 1.00 30.72 C ATOM 3720 C VAL D 94 1.750 -26.965 22.892 1.00 30.16 C ATOM 3721 O VAL D 94 2.938 -27.257 22.844 1.00 31.27 O ATOM 3722 CB VAL D 94 0.727 -27.628 20.684 1.00 28.97 C ATOM 3723 CG1 VAL D 94 -0.124 -28.704 21.375 1.00 29.91 C ATOM 3724 CG2 VAL D 94 -0.016 -27.125 19.462 1.00 23.87 C ATOM 3725 N LEU D 95 1.025 -27.070 23.990 1.00 32.58 N ATOM 3726 CA LEU D 95 1.615 -27.528 25.226 1.00 38.85 C ATOM 3727 C LEU D 95 1.690 -29.056 25.289 1.00 41.00 C ATOM 3728 O LEU D 95 0.663 -29.722 25.216 1.00 40.46 O ATOM 3729 CB LEU D 95 0.811 -26.958 26.389 1.00 32.30 C ATOM 3730 CG LEU D 95 1.266 -27.240 27.806 1.00 32.92 C ATOM 3731 CD1 LEU D 95 0.685 -28.558 28.252 1.00 41.80 C ATOM 3732 CD2 LEU D 95 2.780 -27.222 27.875 1.00 35.46 C ATOM 3733 N LEU D 96 2.912 -29.590 25.399 1.00 44.77 N ATOM 3734 CA LEU D 96 3.148 -31.031 25.483 1.00 41.53 C ATOM 3735 C LEU D 96 2.889 -31.479 26.903 1.00 41.89 C ATOM 3736 O LEU D 96 3.088 -30.705 27.835 1.00 45.75 O ATOM 3737 CB LEU D 96 4.593 -31.399 25.111 1.00 32.60 C ATOM 3738 CG LEU D 96 5.058 -31.211 23.668 1.00 36.02 C ATOM 3739 CD1 LEU D 96 6.443 -31.818 23.476 1.00 24.94 C ATOM 3740 CD2 LEU D 96 4.065 -31.869 22.740 1.00 40.93 C ATOM 3741 N ASN D 97 2.497 -32.745 27.059 1.00 42.34 N ATOM 3742 CA ASN D 97 2.155 -33.319 28.365 1.00 43.52 C ATOM 3743 C ASN D 97 0.940 -32.507 28.795 1.00 45.87 C ATOM 3744 O ASN D 97 0.738 -32.232 29.980 1.00 37.62 O ATOM 3745 CB ASN D 97 3.295 -33.155 29.392 1.00 38.93 C ATOM 3746 CG ASN D 97 4.602 -33.806 28.942 1.00 52.79 C ATOM 3747 OD1 ASN D 97 5.411 -33.188 28.245 1.00 60.04 O ATOM 3748 ND2 ASN D 97 4.806 -35.058 29.333 1.00 42.35 N ATOM 3749 N GLY D 98 0.140 -32.120 27.800 1.00 44.90 N ATOM 3750 CA GLY D 98 -1.050 -31.329 28.046 1.00 44.09 C ATOM 3751 C GLY D 98 -2.345 -31.965 27.587 1.00 44.21 C ATOM 3752 O GLY D 98 -2.357 -33.104 27.142 1.00 50.14 O ATOM 3753 N PRO D 99 -3.464 -31.232 27.675 1.00 48.96 N ATOM 3754 CA PRO D 99 -4.801 -31.698 27.276 1.00 55.48 C ATOM 3755 C PRO D 99 -5.049 -31.986 25.792 1.00 51.26 C ATOM 3756 O PRO D 99 -6.063 -32.590 25.435 1.00 47.64 O ATOM 3757 CB PRO D 99 -5.715 -30.577 27.768 1.00 56.19 C ATOM 3758 CG PRO D 99 -4.853 -29.358 27.591 1.00 53.71 C ATOM 3759 CD PRO D 99 -3.545 -29.851 28.191 1.00 52.30 C ATOM 3760 N LEU D 100 -4.139 -31.551 24.931 1.00 50.94 N ATOM 3761 CA LEU D 100 -4.319 -31.757 23.504 1.00 48.88 C ATOM 3762 C LEU D 100 -3.981 -33.208 23.144 1.00 47.73 C ATOM 3763 O LEU D 100 -2.961 -33.755 23.576 1.00 34.70 O ATOM 3764 CB LEU D 100 -3.447 -30.761 22.733 1.00 47.03 C ATOM 3765 CG LEU D 100 -3.961 -30.163 21.413 1.00 54.79 C ATOM 3766 CD1 LEU D 100 -3.639 -31.110 20.267 1.00 58.60 C ATOM 3767 CD2 LEU D 100 -5.477 -29.877 21.476 1.00 53.13 C ATOM 3768 N GLY D 101 -4.859 -33.835 22.365 1.00 48.30 N ATOM 3769 CA GLY D 101 -4.649 -35.222 21.997 1.00 49.45 C ATOM 3770 C GLY D 101 -3.562 -35.472 20.976 1.00 57.61 C ATOM 3771 O GLY D 101 -3.395 -34.701 20.011 1.00 66.16 O ATOM 3772 N ALA D 102 -2.812 -36.554 21.184 1.00 53.91 N ATOM 3773 CA ALA D 102 -1.750 -36.932 20.248 1.00 56.91 C ATOM 3774 C ALA D 102 -2.284 -36.986 18.810 1.00 58.17 C ATOM 3775 O ALA D 102 -1.582 -36.591 17.877 1.00 62.66 O ATOM 3776 CB ALA D 102 -1.146 -38.306 20.636 1.00 50.19 C ATOM 3777 N LYS D 103 -3.516 -37.467 18.616 1.00 55.90 N ATOM 3778 CA LYS D 103 -4.062 -37.521 17.257 1.00 56.77 C ATOM 3779 C LYS D 103 -4.180 -36.102 16.701 1.00 54.77 C ATOM 3780 O LYS D 103 -3.668 -35.814 15.612 1.00 50.46 O ATOM 3781 CB LYS D 103 -5.442 -38.195 17.220 1.00 54.52 C ATOM 3782 CG LYS D 103 -5.918 -38.555 15.792 1.00 62.81 C ATOM 3783 CD LYS D 103 -7.385 -39.054 15.758 1.00 59.97 C ATOM 3784 CE LYS D 103 -8.344 -37.879 15.981 1.00 64.77 C ATOM 3785 NZ LYS D 103 -9.783 -38.234 16.267 1.00 64.75 N ATOM 3786 N GLU D 104 -4.850 -35.222 17.452 1.00 50.17 N ATOM 3787 CA GLU D 104 -5.038 -33.829 17.035 1.00 48.58 C ATOM 3788 C GLU D 104 -3.667 -33.182 16.820 1.00 51.05 C ATOM 3789 O GLU D 104 -3.491 -32.371 15.906 1.00 49.46 O ATOM 3790 CB GLU D 104 -5.827 -33.069 18.102 1.00 54.40 C ATOM 3791 CG GLU D 104 -6.027 -31.569 17.819 1.00 65.39 C ATOM 3792 CD GLU D 104 -6.910 -31.282 16.599 1.00 70.86 C ATOM 3793 OE1 GLU D 104 -8.102 -31.718 16.608 1.00 79.17 O ATOM 3794 OE2 GLU D 104 -6.424 -30.610 15.639 1.00 63.79 O ATOM 3795 N ILE D 105 -2.697 -33.546 17.656 1.00 42.87 N ATOM 3796 CA ILE D 105 -1.359 -33.007 17.510 1.00 34.90 C ATOM 3797 C ILE D 105 -0.698 -33.522 16.248 1.00 40.73 C ATOM 3798 O ILE D 105 -0.056 -32.763 15.540 1.00 48.94 O ATOM 3799 CB ILE D 105 -0.464 -33.381 18.699 1.00 43.09 C ATOM 3800 CG1 ILE D 105 -0.912 -32.633 19.959 1.00 43.52 C ATOM 3801 CG2 ILE D 105 0.987 -33.059 18.378 1.00 25.54 C ATOM 3802 CD1 ILE D 105 -0.205 -33.076 21.229 1.00 30.04 C ATOM 3803 N HIS D 106 -0.847 -34.810 15.949 1.00 47.86 N ATOM 3804 CA HIS D 106 -0.227 -35.373 14.736 1.00 52.26 C ATOM 3805 C HIS D 106 -0.677 -34.667 13.473 1.00 52.33 C ATOM 3806 O HIS D 106 0.130 -34.438 12.576 1.00 51.42 O ATOM 3807 CB HIS D 106 -0.531 -36.869 14.604 1.00 53.77 C ATOM 3808 CG HIS D 106 0.169 -37.711 15.620 1.00 53.44 C ATOM 3809 ND1 HIS D 106 -0.269 -38.966 15.976 1.00 51.36 N ATOM 3810 CD2 HIS D 106 1.245 -37.451 16.399 1.00 54.27 C ATOM 3811 CE1 HIS D 106 0.502 -39.440 16.938 1.00 51.26 C ATOM 3812 NE2 HIS D 106 1.427 -38.542 17.213 1.00 55.44 N ATOM 3813 N SER D 107 -1.968 -34.338 13.413 1.00 51.92 N ATOM 3814 CA SER D 107 -2.527 -33.658 12.253 1.00 45.50 C ATOM 3815 C SER D 107 -1.961 -32.236 12.146 1.00 47.85 C ATOM 3816 O SER D 107 -1.636 -31.775 11.045 1.00 51.83 O ATOM 3817 CB SER D 107 -4.058 -33.636 12.327 1.00 40.20 C ATOM 3818 OG SER D 107 -4.514 -32.993 13.492 1.00 52.16 O ATOM 3819 N LEU D 108 -1.827 -31.549 13.284 1.00 43.54 N ATOM 3820 CA LEU D 108 -1.273 -30.193 13.317 1.00 35.37 C ATOM 3821 C LEU D 108 0.192 -30.236 12.857 1.00 33.09 C ATOM 3822 O LEU D 108 0.646 -29.365 12.104 1.00 26.87 O ATOM 3823 CB LEU D 108 -1.395 -29.601 14.733 1.00 31.89 C ATOM 3824 CG LEU D 108 -2.823 -29.268 15.199 1.00 30.84 C ATOM 3825 CD1 LEU D 108 -2.865 -28.978 16.691 1.00 31.65 C ATOM 3826 CD2 LEU D 108 -3.332 -28.090 14.424 1.00 24.40 C ATOM 3827 N ILE D 109 0.917 -31.266 13.295 1.00 33.45 N ATOM 3828 CA ILE D 109 2.310 -31.455 12.889 1.00 36.29 C ATOM 3829 C ILE D 109 2.306 -31.586 11.351 1.00 40.01 C ATOM 3830 O ILE D 109 3.191 -31.070 10.681 1.00 37.71 O ATOM 3831 CB ILE D 109 2.951 -32.791 13.449 1.00 37.93 C ATOM 3832 CG1 ILE D 109 2.816 -32.917 14.976 1.00 34.17 C ATOM 3833 CG2 ILE D 109 4.422 -32.854 13.042 1.00 36.90 C ATOM 3834 CD1 ILE D 109 3.731 -32.025 15.802 1.00 45.16 C ATOM 3835 N GLU D 110 1.315 -32.301 10.809 1.00 46.67 N ATOM 3836 CA GLU D 110 1.188 -32.514 9.358 1.00 45.45 C ATOM 3837 C GLU D 110 0.867 -31.201 8.648 1.00 43.62 C ATOM 3838 O GLU D 110 1.470 -30.868 7.629 1.00 38.57 O ATOM 3839 CB GLU D 110 0.089 -33.547 9.049 1.00 49.96 C ATOM 3840 CG GLU D 110 -0.094 -33.884 7.558 1.00 57.01 C ATOM 3841 CD GLU D 110 1.186 -34.359 6.876 1.00 64.16 C ATOM 3842 OE1 GLU D 110 1.813 -35.314 7.381 1.00 57.73 O ATOM 3843 OE2 GLU D 110 1.565 -33.779 5.829 1.00 67.97 O ATOM 3844 N ASP D 111 -0.087 -30.458 9.192 1.00 37.67 N ATOM 3845 CA ASP D 111 -0.459 -29.181 8.622 1.00 42.88 C ATOM 3846 C ASP D 111 0.737 -28.216 8.528 1.00 48.26 C ATOM 3847 O ASP D 111 0.933 -27.562 7.501 1.00 44.12 O ATOM 3848 CB ASP D 111 -1.584 -28.576 9.448 1.00 49.27 C ATOM 3849 CG ASP D 111 -2.934 -29.208 9.139 1.00 61.42 C ATOM 3850 OD1 ASP D 111 -2.986 -30.423 8.851 1.00 65.80 O ATOM 3851 OD2 ASP D 111 -3.953 -28.487 9.191 1.00 66.95 O ATOM 3852 N SER D 112 1.532 -28.136 9.594 1.00 39.88 N ATOM 3853 CA SER D 112 2.711 -27.274 9.625 1.00 34.54 C ATOM 3854 C SER D 112 3.738 -27.750 8.601 1.00 38.28 C ATOM 3855 O SER D 112 4.411 -26.950 7.954 1.00 41.58 O ATOM 3856 CB SER D 112 3.316 -27.281 11.039 1.00 34.20 C ATOM 3857 OG SER D 112 4.422 -26.406 11.169 1.00 23.50 O ATOM 3858 N PHE D 113 3.846 -29.066 8.452 1.00 40.69 N ATOM 3859 CA PHE D 113 4.779 -29.680 7.501 1.00 42.15 C ATOM 3860 C PHE D 113 4.424 -29.289 6.061 1.00 39.56 C ATOM 3861 O PHE D 113 5.282 -28.829 5.330 1.00 35.07 O ATOM 3862 CB PHE D 113 4.739 -31.212 7.638 1.00 49.22 C ATOM 3863 CG PHE D 113 5.832 -31.924 6.888 1.00 49.98 C ATOM 3864 CD1 PHE D 113 7.152 -31.857 7.324 1.00 52.29 C ATOM 3865 CD2 PHE D 113 5.549 -32.647 5.740 1.00 53.21 C ATOM 3866 CE1 PHE D 113 8.169 -32.501 6.622 1.00 40.84 C ATOM 3867 CE2 PHE D 113 6.568 -33.294 5.036 1.00 47.65 C ATOM 3868 CZ PHE D 113 7.874 -33.219 5.478 1.00 40.89 C ATOM 3869 N GLN D 114 3.160 -29.486 5.674 1.00 37.32 N ATOM 3870 CA GLN D 114 2.677 -29.156 4.333 1.00 40.03 C ATOM 3871 C GLN D 114 2.664 -27.656 4.058 1.00 45.73 C ATOM 3872 O GLN D 114 2.799 -27.229 2.917 1.00 45.30 O ATOM 3873 CB GLN D 114 1.253 -29.674 4.109 1.00 29.00 C ATOM 3874 CG GLN D 114 1.100 -31.183 4.020 1.00 49.38 C ATOM 3875 CD GLN D 114 1.993 -31.809 2.977 1.00 51.84 C ATOM 3876 OE1 GLN D 114 2.010 -31.385 1.822 1.00 53.36 O ATOM 3877 NE2 GLN D 114 2.749 -32.825 3.383 1.00 52.16 N ATOM 3878 N LEU D 115 2.478 -26.860 5.107 1.00 48.74 N ATOM 3879 CA LEU D 115 2.422 -25.403 4.988 1.00 42.69 C ATOM 3880 C LEU D 115 3.813 -24.834 4.701 1.00 46.49 C ATOM 3881 O LEU D 115 3.952 -23.680 4.293 1.00 45.15 O ATOM 3882 CB LEU D 115 1.891 -24.802 6.294 1.00 46.87 C ATOM 3883 CG LEU D 115 0.872 -23.663 6.224 1.00 48.71 C ATOM 3884 CD1 LEU D 115 1.398 -22.531 5.320 1.00 57.35 C ATOM 3885 CD2 LEU D 115 -0.439 -24.201 5.685 1.00 50.16 C ATOM 3886 N THR D 116 4.836 -25.660 4.909 1.00 42.64 N ATOM 3887 CA THR D 116 6.214 -25.249 4.707 1.00 40.26 C ATOM 3888 C THR D 116 6.964 -26.138 3.720 1.00 45.38 C ATOM 3889 O THR D 116 8.189 -26.094 3.652 1.00 39.39 O ATOM 3890 CB THR D 116 6.951 -25.243 6.061 1.00 38.31 C ATOM 3891 OG1 THR D 116 6.644 -26.441 6.777 1.00 40.22 O ATOM 3892 CG2 THR D 116 6.508 -24.077 6.900 1.00 37.94 C ATOM 3893 N ARG D 117 6.212 -26.937 2.964 1.00 55.79 N ATOM 3894 CA ARG D 117 6.753 -27.875 1.970 1.00 61.61 C ATOM 3895 C ARG D 117 7.426 -27.104 0.826 1.00 62.68 C ATOM 3896 O ARG D 117 7.168 -25.891 0.723 1.00 56.78 O ATOM 3897 CB ARG D 117 5.601 -28.739 1.420 1.00 67.95 C ATOM 3898 CG ARG D 117 5.850 -30.250 1.293 1.00 72.24 C ATOM 3899 CD ARG D 117 6.871 -30.573 0.220 1.00 88.70 C ATOM 3900 NE ARG D 117 8.129 -31.059 0.785 1.00100.34 N ATOM 3901 CZ ARG D 117 8.312 -32.281 1.282 1.00101.43 C ATOM 3902 NH1 ARG D 117 7.308 -33.153 1.283 1.00103.14 N ATOM 3903 NH2 ARG D 117 9.499 -32.634 1.776 1.00 83.74 N TER 3905 ARG D 117 HETATM 3905 O HOH A 126 7.961 -0.816 -20.483 1.00 17.28 O HETATM 3906 O HOH A 127 -1.271 21.198 -18.507 1.00 30.63 O HETATM 3907 O HOH A 128 -11.893 -0.758 -11.872 1.00 32.05 O HETATM 3908 O HOH A 129 12.844 -6.016 -13.218 1.00 32.95 O HETATM 3909 O HOH A 130 3.911 -7.940 -25.458 1.00 30.58 O HETATM 3910 O HOH A 131 4.214 11.608 -23.124 1.00 29.57 O HETATM 3911 O HOH A 132 -13.398 -0.249 -5.727 1.00 29.50 O HETATM 3912 O HOH A 133 -7.766 8.535 -1.675 1.00 40.12 O TER 3914 HOH A 133 HETATM 3914 O HOH B 126 16.399 -13.892 -1.413 1.00 34.54 O HETATM 3915 O HOH B 127 41.363 -10.116 3.135 1.00 28.47 O HETATM 3916 O HOH B 128 31.014 -9.031 25.598 1.00 33.43 O HETATM 3917 O HOH B 129 26.841 -0.513 22.017 1.00 30.45 O HETATM 3918 O HOH B 130 26.820 -6.144 -6.195 1.00 19.78 O HETATM 3919 O HOH B 131 21.535 -18.377 6.005 1.00 24.38 O HETATM 3920 O HOH B 132 40.825 -5.477 14.236 1.00 37.14 O HETATM 3921 O HOH B 133 29.505 -16.293 22.774 1.00 29.90 O TER 3923 HOH B 133 HETATM 3923 O HOH C 126 35.165 15.083 -30.826 1.00 27.79 O HETATM 3924 O HOH C 127 15.584 19.204 -31.906 1.00 62.65 O HETATM 3925 O HOH C 128 9.827 7.523 -40.276 1.00 56.30 O HETATM 3926 O HOH C 129 10.215 10.024 -32.312 1.00 30.54 O HETATM 3927 O HOH C 130 30.337 10.377 -24.149 1.00 20.26 O HETATM 3928 O HOH C 131 26.377 -1.862 -20.215 1.00 23.71 O HETATM 3929 O HOH C 132 31.986 0.202 -29.962 1.00 39.42 O HETATM 3930 O HOH C 133 24.495 16.181 -40.148 1.00 25.96 O HETATM 3931 O HOH C 134 15.248 20.014 -39.958 1.00 26.83 O HETATM 3932 O HOH C 135 13.546 8.781 -39.802 1.00 35.72 O TER 3934 HOH C 135 HETATM 3934 O HOH D 126 -5.969 -22.077 24.705 1.00 22.80 O HETATM 3935 O HOH D 127 3.118 -20.207 4.970 1.00 27.61 O HETATM 3936 O HOH D 128 19.250 -25.576 20.361 1.00 28.05 O HETATM 3937 O HOH D 129 18.146 -25.669 27.168 1.00 35.09 O HETATM 3938 O HOH D 130 -3.161 -24.874 9.333 1.00 32.77 O HETATM 3939 O HOH D 131 4.964 -29.562 29.656 1.00 23.29 O HETATM 3940 O HOH D 132 0.178 -19.180 6.567 1.00 64.30 O HETATM 3941 O HOH D 133 18.428 -30.208 9.500 1.00 34.31 O HETATM 3942 O HOH D 134 -0.542 -17.194 17.670 1.00 21.21 O HETATM 3943 O HOH D 135 10.750 -34.994 -0.502 1.00 60.23 O HETATM 3944 O HOH D 136 7.175 -14.443 22.264 1.00 34.84 O TER 3945 HOH D 136 ENDMDL MASTER END