Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 02-APR-09 3GXQ TITLE STRUCTURE OF ARTA AND DNA COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE REGULATOR OF TRANSFER GENES ARTA; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*AP*CP*AP*TP*GP*AP*CP*AP*TP*G)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: DNA (5'-D(*AP*CP*AP*TP*GP*TP*CP*AP*TP*GP*T)-3'); COMPND 11 CHAIN: D; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS USA300; SOURCE 3 ORGANISM_TAXID: 367830; SOURCE 4 GENE: ARTA, SAUSA300_PUSA030009; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 MOL_ID: 3; SOURCE 13 SYNTHETIC: YES KEYWDS RIBBON-HELIX-HELIX, PLASMID, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR L.NI,N.FIRTH,M.A.SCHUMACHER REVDAT 3 01-NOV-17 3GXQ 1 REMARK REVDAT 2 01-DEC-09 3GXQ 1 JRNL REVDAT 1 13-OCT-09 3GXQ 0 JRNL AUTH L.NI,S.O.JENSEN,N.KY TONTHAT,T.BERG,S.M.KWONG,F.H.GUAN, JRNL AUTH 2 M.H.BROWN,R.A.SKURRAY,N.FIRTH,M.A.SCHUMACHER JRNL TITL THE STAPHYLOCOCCUS AUREUS PSK41 PLASMID-ENCODED ARTA PROTEIN JRNL TITL 2 IS A MASTER REGULATOR OF PLASMID TRANSMISSION GENES AND JRNL TITL 3 CONTAINS A RHH MOTIF USED IN ALTERNATE DNA-BINDING MODES. JRNL REF NUCLEIC ACIDS RES. V. 37 6970 2009 JRNL REFN ISSN 0305-1048 JRNL PMID 19759211 JRNL DOI 10.1093/NAR/GKP756 REMARK 2 REMARK 2 RESOLUTION. 2.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.98 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1114443.520 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.0 REMARK 3 NUMBER OF REFLECTIONS : 6644 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) : 0.237 REMARK 3 FREE R VALUE : 0.261 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 341 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.014 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.35 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.50 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1035 REMARK 3 BIN R VALUE (WORKING SET) : 0.2660 REMARK 3 BIN FREE R VALUE : 0.2780 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.40 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 59 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.036 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 863 REMARK 3 NUCLEIC ACID ATOMS : 425 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 36 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 25.30 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 44.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.40000 REMARK 3 B22 (A**2) : -13.48000 REMARK 3 B33 (A**2) : 15.88000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 12.46000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM SIGMAA (A) : 0.19 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) : 0.33 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.27 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.300 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.090 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) : 1.500 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.450 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.940 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.040 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.35 REMARK 3 BSOL : 47.98 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3GXQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-APR-09. REMARK 100 THE DEPOSITION ID IS D_1000052437. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-MAY-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.11588 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6644 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.980 REMARK 200 RESOLUTION RANGE LOW (A) : 61.080 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.1 REMARK 200 DATA REDUNDANCY : 2.000 REMARK 200 R MERGE (I) : 0.07400 REMARK 200 R SYM (I) : 0.10100 REMARK 200
FOR THE DATA SET : 11.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.09 REMARK 200 COMPLETENESS FOR SHELL (%) : 73.7 REMARK 200 DATA REDUNDANCY IN SHELL : 1.90 REMARK 200 R MERGE FOR SHELL (I) : 0.25800 REMARK 200 R SYM FOR SHELL (I) : 0.35100 REMARK 200
FOR SHELL : 2.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL 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 (%): 44.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.21 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10% PEG 2000, 0.1M ACETATE, PH 4.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 30.56500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9550 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -56.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, 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 GLU A 6 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA D 2 O4' - C1' - N9 ANGL. DEV. = -6.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 8 -169.68 67.18 REMARK 500 PHE A 10 148.55 -173.92 REMARK 500 GLN B 57 -76.21 -62.15 REMARK 500 ILE B 58 -89.16 -21.49 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA D 2 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 3GXQ A 6 58 UNP Q2FDC9 Q2FDC9_STAA3 6 58 DBREF 3GXQ B 6 58 UNP Q2FDC9 Q2FDC9_STAA3 6 58 DBREF 3GXQ C 2 11 PDB 3GXQ 3GXQ 2 11 DBREF 3GXQ D 2 12 PDB 3GXQ 3GXQ 2 12 SEQADV 3GXQ ALA A 59 UNP Q2FDC9 EXPRESSION TAG SEQADV 3GXQ ALA B 59 UNP Q2FDC9 EXPRESSION TAG SEQRES 1 A 54 GLU ASN SER VAL PHE PHE GLY LYS LYS LYS LYS VAL SER SEQRES 2 A 54 LEU HIS LEU LEU VAL ASP PRO ASP MET LYS ASP GLU ILE SEQRES 3 A 54 ILE LYS TYR ALA GLN GLU LYS ASP PHE ASP ASN VAL SER SEQRES 4 A 54 GLN ALA GLY ARG GLU ILE LEU LYS LYS GLY LEU GLU GLN SEQRES 5 A 54 ILE ALA SEQRES 1 B 54 GLU ASN SER VAL PHE PHE GLY LYS LYS LYS LYS VAL SER SEQRES 2 B 54 LEU HIS LEU LEU VAL ASP PRO ASP MET LYS ASP GLU ILE SEQRES 3 B 54 ILE LYS TYR ALA GLN GLU LYS ASP PHE ASP ASN VAL SER SEQRES 4 B 54 GLN ALA GLY ARG GLU ILE LEU LYS LYS GLY LEU GLU GLN SEQRES 5 B 54 ILE ALA SEQRES 1 C 10 DA DC DA DT DG DA DC DA DT DG SEQRES 1 D 11 DA DC DA DT DG DT DC DA DT DG DT FORMUL 5 HOH *36(H2 O) HELIX 1 1 ASP A 24 ASP A 39 1 16 HELIX 2 2 ASN A 42 GLN A 57 1 16 HELIX 3 3 GLU B 6 PHE B 11 1 6 HELIX 4 4 ASP B 24 ASP B 39 1 16 HELIX 5 5 ASN B 42 ALA B 59 1 18 SHEET 1 A 2 VAL A 17 VAL A 23 0 SHEET 2 A 2 VAL B 17 VAL B 23 -1 O VAL B 23 N VAL A 17 CRYST1 37.830 61.130 40.500 90.00 117.32 90.00 P 1 21 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 0.026434 0.000000 0.013655 0.00000 SCALE2 0.000000 0.016359 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027791 0.00000 ATOM 1 N ASN A 7 11.949 -6.851 22.020 1.00 58.72 N ATOM 2 CA ASN A 7 11.310 -5.999 20.974 1.00 59.40 C ATOM 3 C ASN A 7 12.393 -5.435 20.063 1.00 59.40 C ATOM 4 O ASN A 7 13.560 -5.800 20.186 1.00 61.20 O ATOM 5 CB ASN A 7 10.521 -4.863 21.635 1.00 59.52 C ATOM 6 CG ASN A 7 9.705 -4.056 20.638 1.00 59.84 C ATOM 7 OD1 ASN A 7 10.238 -3.238 19.888 1.00 60.07 O ATOM 8 ND2 ASN A 7 8.404 -4.301 20.615 1.00 60.99 N ATOM 9 N SER A 8 11.997 -4.556 19.147 1.00 58.36 N ATOM 10 CA SER A 8 12.912 -3.936 18.195 1.00 56.47 C ATOM 11 C SER A 8 13.486 -4.927 17.189 1.00 54.05 C ATOM 12 O SER A 8 13.042 -6.069 17.118 1.00 55.29 O ATOM 13 CB SER A 8 14.036 -3.208 18.927 1.00 57.44 C ATOM 14 OG SER A 8 13.491 -2.154 19.701 1.00 60.16 O ATOM 15 N VAL A 9 14.482 -4.488 16.428 1.00 49.95 N ATOM 16 CA VAL A 9 15.075 -5.312 15.387 1.00 46.39 C ATOM 17 C VAL A 9 15.965 -6.492 15.773 1.00 45.50 C ATOM 18 O VAL A 9 16.864 -6.381 16.612 1.00 45.00 O ATOM 19 CB VAL A 9 15.877 -4.433 14.404 1.00 46.26 C ATOM 20 CG1 VAL A 9 16.280 -5.237 13.182 1.00 45.22 C ATOM 21 CG2 VAL A 9 15.067 -3.230 13.999 1.00 46.94 C ATOM 22 N PHE A 10 15.690 -7.620 15.125 1.00 41.41 N ATOM 23 CA PHE A 10 16.456 -8.846 15.282 1.00 40.45 C ATOM 24 C PHE A 10 15.946 -9.869 14.279 1.00 38.12 C ATOM 25 O PHE A 10 14.777 -9.860 13.909 1.00 38.10 O ATOM 26 CB PHE A 10 16.431 -9.388 16.728 1.00 36.47 C ATOM 27 CG PHE A 10 15.062 -9.634 17.293 1.00 36.31 C ATOM 28 CD1 PHE A 10 14.498 -10.905 17.257 1.00 35.23 C ATOM 29 CD2 PHE A 10 14.362 -8.612 17.924 1.00 34.96 C ATOM 30 CE1 PHE A 10 13.270 -11.156 17.851 1.00 33.19 C ATOM 31 CE2 PHE A 10 13.137 -8.853 18.517 1.00 34.10 C ATOM 32 CZ PHE A 10 12.586 -10.125 18.481 1.00 33.75 C ATOM 33 N PHE A 11 16.853 -10.724 13.827 1.00 36.79 N ATOM 34 CA PHE A 11 16.578 -11.754 12.827 1.00 38.28 C ATOM 35 C PHE A 11 15.523 -12.770 13.251 1.00 35.32 C ATOM 36 O PHE A 11 15.581 -13.300 14.351 1.00 34.06 O ATOM 37 CB PHE A 11 17.891 -12.467 12.493 1.00 41.19 C ATOM 38 CG PHE A 11 17.871 -13.215 11.193 1.00 46.00 C ATOM 39 CD1 PHE A 11 17.373 -12.624 10.037 1.00 46.87 C ATOM 40 CD2 PHE A 11 18.395 -14.500 11.111 1.00 47.12 C ATOM 41 CE1 PHE A 11 17.410 -13.298 8.816 1.00 46.67 C ATOM 42 CE2 PHE A 11 18.437 -15.177 9.897 1.00 47.82 C ATOM 43 CZ PHE A 11 17.940 -14.580 8.748 1.00 47.50 C ATOM 44 N GLY A 12 14.563 -13.032 12.366 1.00 34.87 N ATOM 45 CA GLY A 12 13.508 -13.988 12.659 1.00 32.62 C ATOM 46 C GLY A 12 12.370 -13.398 13.457 1.00 31.17 C ATOM 47 O GLY A 12 11.362 -14.054 13.685 1.00 32.20 O ATOM 48 N LYS A 13 12.527 -12.160 13.900 1.00 33.17 N ATOM 49 CA LYS A 13 11.468 -11.513 14.662 1.00 35.73 C ATOM 50 C LYS A 13 10.200 -11.545 13.824 1.00 37.24 C ATOM 51 O LYS A 13 10.234 -11.233 12.636 1.00 37.84 O ATOM 52 CB LYS A 13 11.812 -10.058 14.963 1.00 37.47 C ATOM 53 CG LYS A 13 10.750 -9.356 15.798 1.00 40.55 C ATOM 54 CD LYS A 13 11.066 -7.879 16.034 1.00 42.79 C ATOM 55 CE LYS A 13 10.037 -7.226 16.973 1.00 44.02 C ATOM 56 NZ LYS A 13 10.221 -5.740 17.089 1.00 45.40 N ATOM 57 N LYS A 14 9.084 -11.914 14.444 1.00 39.04 N ATOM 58 CA LYS A 14 7.800 -11.992 13.748 1.00 38.64 C ATOM 59 C LYS A 14 7.273 -10.591 13.423 1.00 37.81 C ATOM 60 O LYS A 14 7.382 -9.670 14.227 1.00 37.09 O ATOM 61 CB LYS A 14 6.778 -12.756 14.607 1.00 39.47 C ATOM 62 CG LYS A 14 5.650 -13.415 13.821 1.00 41.89 C ATOM 63 CD LYS A 14 4.738 -12.370 13.197 1.00 43.69 C ATOM 64 CE LYS A 14 3.639 -12.973 12.326 1.00 41.90 C ATOM 65 NZ LYS A 14 2.917 -11.915 11.554 1.00 37.97 N ATOM 66 N LYS A 15 6.707 -10.437 12.232 1.00 37.46 N ATOM 67 CA LYS A 15 6.152 -9.156 11.813 1.00 38.07 C ATOM 68 C LYS A 15 4.893 -8.837 12.602 1.00 34.57 C ATOM 69 O LYS A 15 4.261 -9.719 13.157 1.00 35.38 O ATOM 70 CB LYS A 15 5.806 -9.184 10.321 1.00 39.70 C ATOM 71 CG LYS A 15 6.980 -8.908 9.403 1.00 44.44 C ATOM 72 CD LYS A 15 6.952 -9.784 8.140 1.00 47.82 C ATOM 73 CE LYS A 15 5.824 -9.421 7.187 1.00 49.65 C ATOM 74 NZ LYS A 15 4.495 -9.485 7.852 1.00 51.75 N ATOM 75 N LYS A 16 4.531 -7.565 12.652 1.00 33.60 N ATOM 76 CA LYS A 16 3.314 -7.165 13.348 1.00 33.23 C ATOM 77 C LYS A 16 2.162 -7.389 12.382 1.00 32.13 C ATOM 78 O LYS A 16 2.364 -7.462 11.172 1.00 32.26 O ATOM 79 CB LYS A 16 3.377 -5.691 13.757 1.00 31.64 C ATOM 80 CG LYS A 16 4.264 -5.459 14.965 1.00 32.40 C ATOM 81 CD LYS A 16 4.781 -4.036 15.047 1.00 33.86 C ATOM 82 CE LYS A 16 6.169 -4.030 15.641 1.00 35.20 C ATOM 83 NZ LYS A 16 6.206 -3.380 16.971 1.00 40.99 N ATOM 84 N VAL A 17 0.957 -7.501 12.922 1.00 32.11 N ATOM 85 CA VAL A 17 -0.231 -7.713 12.116 1.00 30.63 C ATOM 86 C VAL A 17 -1.173 -6.518 12.206 1.00 31.42 C ATOM 87 O VAL A 17 -1.276 -5.874 13.250 1.00 30.29 O ATOM 88 CB VAL A 17 -0.964 -8.969 12.563 1.00 30.88 C ATOM 89 CG1 VAL A 17 -0.252 -10.190 12.011 1.00 32.54 C ATOM 90 CG2 VAL A 17 -1.001 -9.036 14.080 1.00 31.44 C ATOM 91 N SER A 18 -1.859 -6.233 11.103 1.00 30.51 N ATOM 92 CA SER A 18 -2.777 -5.113 11.040 1.00 29.32 C ATOM 93 C SER A 18 -3.961 -5.183 11.997 1.00 27.84 C ATOM 94 O SER A 18 -4.694 -6.164 12.032 1.00 25.77 O ATOM 95 CB SER A 18 -3.291 -4.947 9.608 1.00 28.64 C ATOM 96 OG SER A 18 -4.176 -3.841 9.513 1.00 33.40 O ATOM 97 N LEU A 19 -4.119 -4.129 12.791 1.00 27.22 N ATOM 98 CA LEU A 19 -5.248 -3.997 13.701 1.00 25.70 C ATOM 99 C LEU A 19 -5.863 -2.723 13.156 1.00 25.77 C ATOM 100 O LEU A 19 -5.219 -1.676 13.103 1.00 24.86 O ATOM 101 CB LEU A 19 -4.836 -3.804 15.170 1.00 25.37 C ATOM 102 CG LEU A 19 -6.042 -3.707 16.133 1.00 28.01 C ATOM 103 CD1 LEU A 19 -6.678 -5.079 16.250 1.00 27.77 C ATOM 104 CD2 LEU A 19 -5.631 -3.226 17.532 1.00 26.13 C ATOM 105 N HIS A 20 -7.112 -2.834 12.729 1.00 26.03 N ATOM 106 CA HIS A 20 -7.827 -1.725 12.140 1.00 27.09 C ATOM 107 C HIS A 20 -9.211 -1.611 12.737 1.00 26.57 C ATOM 108 O HIS A 20 -10.024 -2.517 12.600 1.00 26.80 O ATOM 109 CB HIS A 20 -7.940 -1.950 10.618 1.00 29.95 C ATOM 110 CG HIS A 20 -8.469 -0.773 9.857 1.00 33.34 C ATOM 111 ND1 HIS A 20 -8.848 -0.855 8.532 1.00 32.42 N ATOM 112 CD2 HIS A 20 -8.667 0.518 10.223 1.00 32.83 C ATOM 113 CE1 HIS A 20 -9.259 0.330 8.120 1.00 35.03 C ATOM 114 NE2 HIS A 20 -9.159 1.182 9.127 1.00 34.67 N ATOM 115 N LEU A 21 -9.488 -0.503 13.410 1.00 27.92 N ATOM 116 CA LEU A 21 -10.816 -0.324 13.961 1.00 27.37 C ATOM 117 C LEU A 21 -11.261 1.123 14.107 1.00 26.98 C ATOM 118 O LEU A 21 -10.456 2.055 14.121 1.00 25.24 O ATOM 119 CB LEU A 21 -10.954 -1.081 15.289 1.00 27.48 C ATOM 120 CG LEU A 21 -10.285 -0.725 16.621 1.00 29.33 C ATOM 121 CD1 LEU A 21 -8.844 -0.262 16.438 1.00 25.20 C ATOM 122 CD2 LEU A 21 -11.131 0.316 17.273 1.00 29.58 C ATOM 123 N LEU A 22 -12.575 1.295 14.165 1.00 27.28 N ATOM 124 CA LEU A 22 -13.177 2.608 14.299 1.00 27.99 C ATOM 125 C LEU A 22 -13.314 2.915 15.790 1.00 28.02 C ATOM 126 O LEU A 22 -13.721 2.053 16.561 1.00 29.26 O ATOM 127 CB LEU A 22 -14.550 2.620 13.628 1.00 23.75 C ATOM 128 CG LEU A 22 -14.588 2.208 12.154 1.00 28.39 C ATOM 129 CD1 LEU A 22 -16.040 2.080 11.697 1.00 24.69 C ATOM 130 CD2 LEU A 22 -13.840 3.231 11.299 1.00 25.87 C ATOM 131 N VAL A 23 -12.952 4.137 16.183 1.00 26.87 N ATOM 132 CA VAL A 23 -13.040 4.583 17.579 1.00 25.05 C ATOM 133 C VAL A 23 -13.637 5.988 17.617 1.00 26.15 C ATOM 134 O VAL A 23 -13.698 6.669 16.586 1.00 24.60 O ATOM 135 CB VAL A 23 -11.648 4.628 18.267 1.00 23.66 C ATOM 136 CG1 VAL A 23 -11.030 3.247 18.265 1.00 22.51 C ATOM 137 CG2 VAL A 23 -10.730 5.620 17.561 1.00 19.53 C ATOM 138 N ASP A 24 -14.091 6.417 18.792 1.00 27.40 N ATOM 139 CA ASP A 24 -14.646 7.761 18.926 1.00 28.38 C ATOM 140 C ASP A 24 -13.536 8.770 18.715 1.00 26.72 C ATOM 141 O ASP A 24 -12.360 8.461 18.915 1.00 26.69 O ATOM 142 CB ASP A 24 -15.247 7.995 20.309 1.00 33.49 C ATOM 143 CG ASP A 24 -16.633 7.424 20.441 1.00 39.38 C ATOM 144 OD1 ASP A 24 -17.269 7.153 19.402 1.00 42.18 O ATOM 145 OD2 ASP A 24 -17.102 7.258 21.586 1.00 43.73 O ATOM 146 N PRO A 25 -13.894 9.979 18.270 1.00 25.82 N ATOM 147 CA PRO A 25 -12.940 11.063 18.027 1.00 26.55 C ATOM 148 C PRO A 25 -12.143 11.373 19.308 1.00 25.17 C ATOM 149 O PRO A 25 -10.921 11.427 19.285 1.00 23.75 O ATOM 150 CB PRO A 25 -13.841 12.221 17.609 1.00 25.35 C ATOM 151 CG PRO A 25 -14.928 11.528 16.863 1.00 26.86 C ATOM 152 CD PRO A 25 -15.221 10.317 17.734 1.00 25.90 C ATOM 153 N ASP A 26 -12.845 11.574 20.420 1.00 26.15 N ATOM 154 CA ASP A 26 -12.182 11.859 21.690 1.00 29.06 C ATOM 155 C ASP A 26 -11.120 10.786 21.995 1.00 29.02 C ATOM 156 O ASP A 26 -10.009 11.123 22.410 1.00 27.69 O ATOM 157 CB ASP A 26 -13.188 11.892 22.857 1.00 31.50 C ATOM 158 CG ASP A 26 -14.321 12.899 22.648 1.00 36.38 C ATOM 159 OD1 ASP A 26 -14.163 13.879 21.887 1.00 38.27 O ATOM 160 OD2 ASP A 26 -15.383 12.722 23.276 1.00 41.21 O ATOM 161 N MET A 27 -11.460 9.508 21.796 1.00 26.49 N ATOM 162 CA MET A 27 -10.509 8.442 22.089 1.00 27.00 C ATOM 163 C MET A 27 -9.264 8.521 21.223 1.00 25.66 C ATOM 164 O MET A 27 -8.151 8.438 21.727 1.00 24.99 O ATOM 165 CB MET A 27 -11.159 7.064 21.949 1.00 30.55 C ATOM 166 CG MET A 27 -10.189 5.898 22.243 1.00 34.74 C ATOM 167 SD MET A 27 -10.958 4.273 22.526 1.00 38.40 S ATOM 168 CE MET A 27 -10.362 3.404 21.239 1.00 37.13 C ATOM 169 N LYS A 28 -9.439 8.694 19.920 1.00 25.54 N ATOM 170 CA LYS A 28 -8.291 8.790 19.040 1.00 24.71 C ATOM 171 C LYS A 28 -7.427 10.011 19.367 1.00 24.94 C ATOM 172 O LYS A 28 -6.207 9.991 19.180 1.00 23.76 O ATOM 173 CB LYS A 28 -8.743 8.844 17.583 1.00 25.10 C ATOM 174 CG LYS A 28 -7.603 8.943 16.591 1.00 27.45 C ATOM 175 CD LYS A 28 -8.078 8.805 15.141 1.00 30.55 C ATOM 176 CE LYS A 28 -6.892 8.702 14.186 1.00 28.17 C ATOM 177 NZ LYS A 28 -7.324 8.432 12.796 1.00 28.28 N ATOM 178 N ASP A 29 -8.048 11.073 19.864 1.00 24.84 N ATOM 179 CA ASP A 29 -7.293 12.270 20.202 1.00 26.52 C ATOM 180 C ASP A 29 -6.418 12.048 21.444 1.00 26.78 C ATOM 181 O ASP A 29 -5.288 12.524 21.496 1.00 27.78 O ATOM 182 CB ASP A 29 -8.245 13.449 20.409 1.00 27.38 C ATOM 183 CG ASP A 29 -7.515 14.772 20.488 1.00 31.63 C ATOM 184 OD1 ASP A 29 -6.704 15.064 19.584 1.00 29.62 O ATOM 185 OD2 ASP A 29 -7.752 15.524 21.458 1.00 32.07 O ATOM 186 N GLU A 30 -6.934 11.320 22.431 1.00 26.34 N ATOM 187 CA GLU A 30 -6.181 11.034 23.652 1.00 27.71 C ATOM 188 C GLU A 30 -4.953 10.202 23.299 1.00 28.33 C ATOM 189 O GLU A 30 -3.855 10.417 23.823 1.00 29.38 O ATOM 190 CB GLU A 30 -7.038 10.240 24.636 1.00 29.24 C ATOM 191 CG GLU A 30 -8.244 10.968 25.218 1.00 35.64 C ATOM 192 CD GLU A 30 -9.125 10.023 26.034 1.00 40.86 C ATOM 193 OE1 GLU A 30 -10.149 9.543 25.509 1.00 38.70 O ATOM 194 OE2 GLU A 30 -8.776 9.740 27.204 1.00 45.47 O ATOM 195 N ILE A 31 -5.154 9.247 22.398 1.00 26.54 N ATOM 196 CA ILE A 31 -4.090 8.363 21.958 1.00 23.44 C ATOM 197 C ILE A 31 -3.009 9.125 21.186 1.00 24.58 C ATOM 198 O ILE A 31 -1.818 8.815 21.284 1.00 24.60 O ATOM 199 CB ILE A 31 -4.665 7.249 21.085 1.00 22.22 C ATOM 200 CG1 ILE A 31 -5.679 6.437 21.902 1.00 19.44 C ATOM 201 CG2 ILE A 31 -3.546 6.387 20.543 1.00 20.41 C ATOM 202 CD1 ILE A 31 -6.293 5.295 21.112 1.00 18.47 C ATOM 203 N ILE A 32 -3.431 10.117 20.406 1.00 24.24 N ATOM 204 CA ILE A 32 -2.502 10.929 19.627 1.00 24.42 C ATOM 205 C ILE A 32 -1.701 11.849 20.562 1.00 24.11 C ATOM 206 O ILE A 32 -0.491 12.019 20.392 1.00 24.27 O ATOM 207 CB ILE A 32 -3.259 11.771 18.579 1.00 25.72 C ATOM 208 CG1 ILE A 32 -3.660 10.884 17.394 1.00 27.10 C ATOM 209 CG2 ILE A 32 -2.403 12.936 18.105 1.00 24.35 C ATOM 210 CD1 ILE A 32 -4.624 11.587 16.423 1.00 23.77 C ATOM 211 N LYS A 33 -2.374 12.458 21.531 1.00 24.13 N ATOM 212 CA LYS A 33 -1.681 13.330 22.484 1.00 28.14 C ATOM 213 C LYS A 33 -0.644 12.498 23.200 1.00 27.56 C ATOM 214 O LYS A 33 0.493 12.916 23.338 1.00 28.36 O ATOM 215 CB LYS A 33 -2.640 13.897 23.525 1.00 29.57 C ATOM 216 CG LYS A 33 -3.271 15.222 23.162 1.00 37.18 C ATOM 217 CD LYS A 33 -4.721 15.224 23.619 1.00 41.53 C ATOM 218 CE LYS A 33 -5.324 16.613 23.630 1.00 41.66 C ATOM 219 NZ LYS A 33 -6.797 16.514 23.851 1.00 45.56 N ATOM 220 N TYR A 34 -1.049 11.313 23.648 1.00 28.11 N ATOM 221 CA TYR A 34 -0.160 10.401 24.357 1.00 28.87 C ATOM 222 C TYR A 34 1.057 10.045 23.524 1.00 27.50 C ATOM 223 O TYR A 34 2.163 9.909 24.040 1.00 26.42 O ATOM 224 CB TYR A 34 -0.907 9.118 24.697 1.00 31.41 C ATOM 225 CG TYR A 34 -0.089 8.115 25.480 1.00 34.05 C ATOM 226 CD1 TYR A 34 -0.112 8.113 26.869 1.00 37.35 C ATOM 227 CD2 TYR A 34 0.707 7.170 24.835 1.00 34.11 C ATOM 228 CE1 TYR A 34 0.631 7.198 27.597 1.00 38.44 C ATOM 229 CE2 TYR A 34 1.456 6.250 25.555 1.00 36.17 C ATOM 230 CZ TYR A 34 1.415 6.272 26.939 1.00 38.43 C ATOM 231 OH TYR A 34 2.174 5.389 27.675 1.00 38.99 O ATOM 232 N ALA A 35 0.840 9.878 22.228 1.00 27.06 N ATOM 233 CA ALA A 35 1.913 9.501 21.328 1.00 26.01 C ATOM 234 C ALA A 35 2.927 10.616 21.135 1.00 26.60 C ATOM 235 O ALA A 35 4.122 10.363 21.001 1.00 25.76 O ATOM 236 CB ALA A 35 1.333 9.082 19.992 1.00 25.02 C ATOM 237 N GLN A 36 2.445 11.850 21.122 1.00 27.30 N ATOM 238 CA GLN A 36 3.322 12.995 20.933 1.00 31.44 C ATOM 239 C GLN A 36 4.220 13.225 22.159 1.00 33.07 C ATOM 240 O GLN A 36 5.392 13.576 22.014 1.00 34.32 O ATOM 241 CB GLN A 36 2.498 14.253 20.643 1.00 31.40 C ATOM 242 CG GLN A 36 1.496 14.115 19.490 1.00 28.48 C ATOM 243 CD GLN A 36 1.071 15.462 18.937 1.00 27.04 C ATOM 244 OE1 GLN A 36 1.033 16.457 19.665 1.00 26.67 O ATOM 245 NE2 GLN A 36 0.745 15.503 17.650 1.00 25.72 N ATOM 246 N GLU A 37 3.672 12.993 23.354 1.00 35.25 N ATOM 247 CA GLU A 37 4.402 13.166 24.609 1.00 39.25 C ATOM 248 C GLU A 37 5.262 11.984 25.072 1.00 40.11 C ATOM 249 O GLU A 37 6.267 12.191 25.760 1.00 40.04 O ATOM 250 CB GLU A 37 3.438 13.509 25.737 1.00 42.37 C ATOM 251 CG GLU A 37 2.298 12.527 25.912 1.00 49.11 C ATOM 252 CD GLU A 37 1.518 12.766 27.197 1.00 53.49 C ATOM 253 OE1 GLU A 37 0.267 12.713 27.157 1.00 55.55 O ATOM 254 OE2 GLU A 37 2.159 13.003 28.246 1.00 55.96 O ATOM 255 N LYS A 38 4.887 10.759 24.706 1.00 39.07 N ATOM 256 CA LYS A 38 5.651 9.587 25.133 1.00 39.54 C ATOM 257 C LYS A 38 6.256 8.742 24.011 1.00 38.93 C ATOM 258 O LYS A 38 7.220 8.016 24.250 1.00 38.19 O ATOM 259 CB LYS A 38 4.771 8.666 25.988 1.00 40.90 C ATOM 260 CG LYS A 38 4.226 9.280 27.261 1.00 43.27 C ATOM 261 CD LYS A 38 5.347 9.611 28.234 1.00 46.26 C ATOM 262 CE LYS A 38 4.880 9.526 29.678 1.00 48.53 C ATOM 263 NZ LYS A 38 3.552 10.164 29.906 1.00 49.87 N ATOM 264 N ASP A 39 5.713 8.830 22.796 1.00 36.85 N ATOM 265 CA ASP A 39 6.208 7.986 21.708 1.00 35.46 C ATOM 266 C ASP A 39 6.732 8.613 20.430 1.00 35.65 C ATOM 267 O ASP A 39 6.731 7.957 19.387 1.00 33.85 O ATOM 268 CB ASP A 39 5.132 6.981 21.321 1.00 35.22 C ATOM 269 CG ASP A 39 4.732 6.097 22.474 1.00 34.11 C ATOM 270 OD1 ASP A 39 3.594 6.222 22.960 1.00 34.97 O ATOM 271 OD2 ASP A 39 5.561 5.277 22.905 1.00 35.39 O ATOM 272 N PHE A 40 7.183 9.861 20.500 1.00 34.56 N ATOM 273 CA PHE A 40 7.711 10.541 19.324 1.00 34.93 C ATOM 274 C PHE A 40 6.687 10.630 18.202 1.00 34.94 C ATOM 275 O PHE A 40 7.018 10.474 17.025 1.00 34.67 O ATOM 276 CB PHE A 40 8.972 9.831 18.840 1.00 36.68 C ATOM 277 CG PHE A 40 10.104 9.884 19.831 1.00 38.61 C ATOM 278 CD1 PHE A 40 10.580 8.727 20.440 1.00 40.05 C ATOM 279 CD2 PHE A 40 10.680 11.104 20.172 1.00 39.82 C ATOM 280 CE1 PHE A 40 11.623 8.792 21.384 1.00 41.88 C ATOM 281 CE2 PHE A 40 11.714 11.179 21.109 1.00 39.61 C ATOM 282 CZ PHE A 40 12.187 10.027 21.714 1.00 41.51 C ATOM 283 N ASP A 41 5.440 10.880 18.587 1.00 34.29 N ATOM 284 CA ASP A 41 4.344 11.017 17.648 1.00 31.09 C ATOM 285 C ASP A 41 4.031 9.750 16.855 1.00 30.49 C ATOM 286 O ASP A 41 3.326 9.797 15.844 1.00 29.57 O ATOM 287 CB ASP A 41 4.626 12.185 16.706 1.00 31.96 C ATOM 288 CG ASP A 41 3.384 12.667 15.994 1.00 32.41 C ATOM 289 OD1 ASP A 41 2.344 12.860 16.661 1.00 31.79 O ATOM 290 OD2 ASP A 41 3.451 12.871 14.770 1.00 32.93 O ATOM 291 N ASN A 42 4.575 8.616 17.285 1.00 28.24 N ATOM 292 CA ASN A 42 4.255 7.358 16.610 1.00 27.35 C ATOM 293 C ASN A 42 2.943 6.895 17.236 1.00 25.20 C ATOM 294 O ASN A 42 2.953 6.357 18.326 1.00 24.67 O ATOM 295 CB ASN A 42 5.322 6.289 16.859 1.00 27.01 C ATOM 296 CG ASN A 42 5.066 5.022 16.055 1.00 27.72 C ATOM 297 OD1 ASN A 42 3.912 4.646 15.820 1.00 28.42 O ATOM 298 ND2 ASN A 42 6.134 4.360 15.633 1.00 24.12 N ATOM 299 N VAL A 43 1.820 7.134 16.563 1.00 24.52 N ATOM 300 CA VAL A 43 0.508 6.747 17.086 1.00 24.28 C ATOM 301 C VAL A 43 0.323 5.231 17.279 1.00 24.17 C ATOM 302 O VAL A 43 -0.253 4.784 18.259 1.00 22.50 O ATOM 303 CB VAL A 43 -0.636 7.295 16.177 1.00 24.07 C ATOM 304 CG1 VAL A 43 -1.967 6.711 16.579 1.00 22.08 C ATOM 305 CG2 VAL A 43 -0.693 8.809 16.311 1.00 22.58 C ATOM 306 N SER A 44 0.813 4.435 16.348 1.00 26.48 N ATOM 307 CA SER A 44 0.653 2.993 16.456 1.00 29.18 C ATOM 308 C SER A 44 1.434 2.466 17.665 1.00 27.59 C ATOM 309 O SER A 44 1.016 1.514 18.321 1.00 26.74 O ATOM 310 CB SER A 44 1.115 2.322 15.161 1.00 29.54 C ATOM 311 OG SER A 44 2.520 2.367 15.035 1.00 36.56 O ATOM 312 N GLN A 45 2.564 3.098 17.963 1.00 27.79 N ATOM 313 CA GLN A 45 3.352 2.699 19.119 1.00 28.84 C ATOM 314 C GLN A 45 2.542 3.031 20.361 1.00 27.21 C ATOM 315 O GLN A 45 2.499 2.246 21.305 1.00 29.84 O ATOM 316 CB GLN A 45 4.674 3.454 19.176 1.00 32.99 C ATOM 317 CG GLN A 45 5.492 3.169 20.433 1.00 36.88 C ATOM 318 CD GLN A 45 5.836 1.702 20.567 1.00 40.33 C ATOM 319 OE1 GLN A 45 6.232 1.053 19.594 1.00 45.04 O ATOM 320 NE2 GLN A 45 5.705 1.171 21.774 1.00 43.23 N ATOM 321 N ALA A 46 1.900 4.198 20.350 1.00 24.54 N ATOM 322 CA ALA A 46 1.086 4.641 21.481 1.00 24.14 C ATOM 323 C ALA A 46 -0.116 3.723 21.669 1.00 22.87 C ATOM 324 O ALA A 46 -0.537 3.459 22.787 1.00 25.22 O ATOM 325 CB ALA A 46 0.623 6.088 21.263 1.00 18.64 C ATOM 326 N GLY A 47 -0.660 3.242 20.559 1.00 21.73 N ATOM 327 CA GLY A 47 -1.800 2.350 20.613 1.00 21.13 C ATOM 328 C GLY A 47 -1.457 1.020 21.261 1.00 21.68 C ATOM 329 O GLY A 47 -2.261 0.468 22.005 1.00 21.79 O ATOM 330 N ARG A 48 -0.258 0.508 21.000 1.00 22.61 N ATOM 331 CA ARG A 48 0.152 -0.765 21.581 1.00 26.15 C ATOM 332 C ARG A 48 0.340 -0.649 23.094 1.00 25.50 C ATOM 333 O ARG A 48 -0.150 -1.494 23.849 1.00 25.10 O ATOM 334 CB ARG A 48 1.449 -1.264 20.947 1.00 28.51 C ATOM 335 CG ARG A 48 1.428 -1.339 19.441 1.00 30.81 C ATOM 336 CD ARG A 48 2.623 -2.106 18.928 1.00 34.75 C ATOM 337 NE ARG A 48 2.838 -1.831 17.517 1.00 39.18 N ATOM 338 CZ ARG A 48 3.647 -0.887 17.051 1.00 39.31 C ATOM 339 NH1 ARG A 48 4.338 -0.128 17.889 1.00 39.74 N ATOM 340 NH2 ARG A 48 3.736 -0.682 15.745 1.00 39.45 N ATOM 341 N GLU A 49 1.036 0.401 23.526 1.00 25.41 N ATOM 342 CA GLU A 49 1.285 0.639 24.951 1.00 25.44 C ATOM 343 C GLU A 49 -0.035 0.733 25.706 1.00 24.89 C ATOM 344 O GLU A 49 -0.189 0.137 26.767 1.00 27.63 O ATOM 345 CB GLU A 49 2.060 1.939 25.162 1.00 22.74 C ATOM 346 CG GLU A 49 3.345 2.029 24.391 1.00 28.69 C ATOM 347 CD GLU A 49 4.228 3.195 24.828 1.00 33.53 C ATOM 348 OE1 GLU A 49 3.826 3.982 25.719 1.00 35.31 O ATOM 349 OE2 GLU A 49 5.340 3.323 24.271 1.00 34.99 O ATOM 350 N ILE A 50 -0.984 1.483 25.154 1.00 24.86 N ATOM 351 CA ILE A 50 -2.285 1.660 25.781 1.00 24.34 C ATOM 352 C ILE A 50 -3.055 0.340 25.783 1.00 25.95 C ATOM 353 O ILE A 50 -3.689 -0.010 26.778 1.00 27.49 O ATOM 354 CB ILE A 50 -3.064 2.780 25.070 1.00 23.96 C ATOM 355 CG1 ILE A 50 -2.303 4.098 25.262 1.00 26.23 C ATOM 356 CG2 ILE A 50 -4.469 2.928 25.654 1.00 22.78 C ATOM 357 CD1 ILE A 50 -2.731 5.220 24.329 1.00 26.02 C ATOM 358 N LEU A 51 -2.988 -0.400 24.677 1.00 28.43 N ATOM 359 CA LEU A 51 -3.659 -1.696 24.584 1.00 28.44 C ATOM 360 C LEU A 51 -3.064 -2.634 25.659 1.00 29.95 C ATOM 361 O LEU A 51 -3.794 -3.329 26.355 1.00 28.82 O ATOM 362 CB LEU A 51 -3.469 -2.285 23.178 1.00 27.39 C ATOM 363 CG LEU A 51 -4.368 -1.762 22.041 1.00 25.98 C ATOM 364 CD1 LEU A 51 -3.858 -2.264 20.713 1.00 24.38 C ATOM 365 CD2 LEU A 51 -5.793 -2.235 22.243 1.00 24.38 C ATOM 366 N LYS A 52 -1.741 -2.623 25.811 1.00 31.56 N ATOM 367 CA LYS A 52 -1.071 -3.452 26.811 1.00 34.15 C ATOM 368 C LYS A 52 -1.564 -3.086 28.216 1.00 34.92 C ATOM 369 O LYS A 52 -1.794 -3.957 29.043 1.00 34.71 O ATOM 370 CB LYS A 52 0.444 -3.251 26.712 1.00 35.95 C ATOM 371 CG LYS A 52 1.294 -4.191 27.562 1.00 39.65 C ATOM 372 CD LYS A 52 2.788 -3.974 27.271 1.00 43.96 C ATOM 373 CE LYS A 52 3.704 -4.885 28.103 1.00 44.23 C ATOM 374 NZ LYS A 52 3.533 -6.354 27.871 1.00 45.26 N ATOM 375 N LYS A 53 -1.738 -1.793 28.472 1.00 36.77 N ATOM 376 CA LYS A 53 -2.219 -1.320 29.768 1.00 39.49 C ATOM 377 C LYS A 53 -3.665 -1.749 29.967 1.00 39.42 C ATOM 378 O LYS A 53 -4.090 -2.024 31.081 1.00 39.36 O ATOM 379 CB LYS A 53 -2.133 0.212 29.850 1.00 41.34 C ATOM 380 CG LYS A 53 -0.713 0.798 29.904 1.00 44.02 C ATOM 381 CD LYS A 53 -0.749 2.324 29.748 1.00 45.54 C ATOM 382 CE LYS A 53 0.640 2.955 29.682 1.00 46.21 C ATOM 383 NZ LYS A 53 1.338 3.012 31.002 1.00 48.31 N ATOM 384 N GLY A 54 -4.420 -1.795 28.876 1.00 39.66 N ATOM 385 CA GLY A 54 -5.807 -2.202 28.966 1.00 37.96 C ATOM 386 C GLY A 54 -5.892 -3.690 29.230 1.00 38.03 C ATOM 387 O GLY A 54 -6.759 -4.151 29.963 1.00 37.38 O ATOM 388 N LEU A 55 -4.973 -4.440 28.637 1.00 37.96 N ATOM 389 CA LEU A 55 -4.951 -5.886 28.791 1.00 40.93 C ATOM 390 C LEU A 55 -4.609 -6.380 30.205 1.00 42.75 C ATOM 391 O LEU A 55 -5.213 -7.331 30.696 1.00 44.08 O ATOM 392 CB LEU A 55 -4.001 -6.503 27.759 1.00 38.56 C ATOM 393 CG LEU A 55 -4.572 -6.522 26.333 1.00 38.95 C ATOM 394 CD1 LEU A 55 -3.523 -7.015 25.339 1.00 38.06 C ATOM 395 CD2 LEU A 55 -5.800 -7.424 26.303 1.00 37.30 C ATOM 396 N GLU A 56 -3.663 -5.737 30.878 1.00 45.13 N ATOM 397 CA GLU A 56 -3.326 -6.171 32.225 1.00 47.83 C ATOM 398 C GLU A 56 -4.448 -5.879 33.224 1.00 49.52 C ATOM 399 O GLU A 56 -4.481 -6.454 34.307 1.00 50.67 O ATOM 400 CB GLU A 56 -2.009 -5.546 32.684 1.00 47.24 C ATOM 401 CG GLU A 56 -1.575 -4.351 31.894 1.00 45.35 C ATOM 402 CD GLU A 56 -0.072 -4.300 31.750 1.00 45.50 C ATOM 403 OE1 GLU A 56 0.521 -5.356 31.423 1.00 45.44 O ATOM 404 OE2 GLU A 56 0.512 -3.213 31.949 1.00 44.59 O ATOM 405 N GLN A 57 -5.374 -5.001 32.849 1.00 52.54 N ATOM 406 CA GLN A 57 -6.515 -4.672 33.695 1.00 54.52 C ATOM 407 C GLN A 57 -7.586 -5.758 33.529 1.00 57.47 C ATOM 408 O GLN A 57 -8.532 -5.850 34.313 1.00 58.52 O ATOM 409 CB GLN A 57 -7.093 -3.302 33.317 1.00 55.54 C ATOM 410 CG GLN A 57 -8.615 -3.220 33.424 1.00 57.26 C ATOM 411 CD GLN A 57 -9.147 -1.798 33.562 1.00 59.22 C ATOM 412 OE1 GLN A 57 -8.424 -0.822 33.346 1.00 58.96 O ATOM 413 NE2 GLN A 57 -10.428 -1.679 33.919 1.00 58.80 N ATOM 414 N ILE A 58 -7.443 -6.577 32.494 1.00 59.92 N ATOM 415 CA ILE A 58 -8.389 -7.659 32.251 1.00 62.06 C ATOM 416 C ILE A 58 -7.878 -8.821 33.082 1.00 64.03 C ATOM 417 O ILE A 58 -8.635 -9.483 33.792 1.00 64.91 O ATOM 418 CB ILE A 58 -8.404 -8.080 30.764 1.00 62.73 C ATOM 419 CG1 ILE A 58 -8.550 -6.847 29.867 1.00 62.71 C ATOM 420 CG2 ILE A 58 -9.539 -9.063 30.514 1.00 62.65 C ATOM 421 CD1 ILE A 58 -9.858 -6.096 30.034 1.00 62.98 C ATOM 422 N ALA A 59 -6.568 -9.032 32.985 1.00 66.02 N ATOM 423 CA ALA A 59 -5.843 -10.075 33.704 1.00 67.97 C ATOM 424 C ALA A 59 -4.591 -10.425 32.909 1.00 69.46 C ATOM 425 O ALA A 59 -3.470 -10.112 33.381 1.00 70.41 O ATOM 426 CB ALA A 59 -6.707 -11.315 33.883 1.00 68.11 C ATOM 427 OXT ALA A 59 -4.755 -11.001 31.812 1.00 70.02 O TER 428 ALA A 59 ATOM 429 N GLU B 6 -26.244 15.733 9.634 1.00 60.64 N ATOM 430 CA GLU B 6 -27.612 15.168 9.721 1.00 60.14 C ATOM 431 C GLU B 6 -28.097 15.121 11.171 1.00 58.67 C ATOM 432 O GLU B 6 -27.389 15.534 12.088 1.00 58.53 O ATOM 433 CB GLU B 6 -27.648 13.766 9.098 1.00 61.77 C ATOM 434 CG GLU B 6 -27.335 12.652 10.070 1.00 63.78 C ATOM 435 CD GLU B 6 -26.630 11.484 9.416 1.00 65.66 C ATOM 436 OE1 GLU B 6 -26.954 11.143 8.252 1.00 66.70 O ATOM 437 OE2 GLU B 6 -25.755 10.894 10.083 1.00 66.21 O ATOM 438 N ASN B 7 -29.300 14.585 11.356 1.00 57.00 N ATOM 439 CA ASN B 7 -29.965 14.518 12.656 1.00 55.26 C ATOM 440 C ASN B 7 -29.264 13.950 13.896 1.00 53.78 C ATOM 441 O ASN B 7 -29.088 14.689 14.876 1.00 53.72 O ATOM 442 CB ASN B 7 -31.330 13.842 12.480 1.00 55.03 C ATOM 443 CG ASN B 7 -32.174 14.512 11.406 1.00 55.13 C ATOM 444 OD1 ASN B 7 -31.748 15.485 10.780 1.00 56.70 O ATOM 445 ND2 ASN B 7 -33.375 13.993 11.188 1.00 56.16 N ATOM 446 N SER B 8 -28.875 12.671 13.882 1.00 50.16 N ATOM 447 CA SER B 8 -28.225 12.097 15.065 1.00 48.29 C ATOM 448 C SER B 8 -27.072 12.998 15.514 1.00 46.95 C ATOM 449 O SER B 8 -26.806 13.144 16.704 1.00 46.79 O ATOM 450 CB SER B 8 -27.715 10.672 14.798 1.00 47.98 C ATOM 451 OG SER B 8 -26.804 10.633 13.715 1.00 50.92 O ATOM 452 N VAL B 9 -26.406 13.617 14.548 1.00 45.90 N ATOM 453 CA VAL B 9 -25.300 14.523 14.823 1.00 45.73 C ATOM 454 C VAL B 9 -25.708 15.637 15.793 1.00 45.28 C ATOM 455 O VAL B 9 -25.002 15.897 16.771 1.00 45.17 O ATOM 456 CB VAL B 9 -24.758 15.139 13.493 1.00 46.02 C ATOM 457 CG1 VAL B 9 -24.184 16.524 13.732 1.00 45.46 C ATOM 458 CG2 VAL B 9 -23.688 14.232 12.902 1.00 47.04 C ATOM 459 N PHE B 10 -26.848 16.277 15.523 1.00 43.94 N ATOM 460 CA PHE B 10 -27.360 17.368 16.357 1.00 43.19 C ATOM 461 C PHE B 10 -27.599 16.970 17.809 1.00 43.07 C ATOM 462 O PHE B 10 -27.555 17.818 18.717 1.00 41.03 O ATOM 463 CB PHE B 10 -28.677 17.909 15.796 1.00 45.41 C ATOM 464 CG PHE B 10 -28.519 18.751 14.561 1.00 48.01 C ATOM 465 CD1 PHE B 10 -27.783 19.937 14.595 1.00 50.39 C ATOM 466 CD2 PHE B 10 -29.112 18.365 13.363 1.00 48.17 C ATOM 467 CE1 PHE B 10 -27.644 20.729 13.445 1.00 50.38 C ATOM 468 CE2 PHE B 10 -28.980 19.146 12.210 1.00 49.65 C ATOM 469 CZ PHE B 10 -28.243 20.330 12.252 1.00 49.38 C ATOM 470 N PHE B 11 -27.865 15.686 18.032 1.00 41.34 N ATOM 471 CA PHE B 11 -28.124 15.202 19.378 1.00 41.36 C ATOM 472 C PHE B 11 -26.889 14.620 20.058 1.00 41.91 C ATOM 473 O PHE B 11 -26.979 13.992 21.115 1.00 41.65 O ATOM 474 CB PHE B 11 -29.275 14.206 19.343 1.00 39.77 C ATOM 475 CG PHE B 11 -30.541 14.790 18.771 1.00 40.50 C ATOM 476 CD1 PHE B 11 -30.707 14.921 17.393 1.00 39.50 C ATOM 477 CD2 PHE B 11 -31.549 15.258 19.611 1.00 39.98 C ATOM 478 CE1 PHE B 11 -31.858 15.512 16.864 1.00 38.54 C ATOM 479 CE2 PHE B 11 -32.704 15.853 19.089 1.00 38.58 C ATOM 480 CZ PHE B 11 -32.856 15.978 17.714 1.00 37.86 C ATOM 481 N GLY B 12 -25.730 14.852 19.447 1.00 43.00 N ATOM 482 CA GLY B 12 -24.479 14.403 20.034 1.00 43.47 C ATOM 483 C GLY B 12 -23.851 13.110 19.564 1.00 43.04 C ATOM 484 O GLY B 12 -22.764 12.760 20.026 1.00 41.77 O ATOM 485 N LYS B 13 -24.513 12.399 18.659 1.00 43.67 N ATOM 486 CA LYS B 13 -23.969 11.141 18.156 1.00 44.64 C ATOM 487 C LYS B 13 -22.704 11.390 17.338 1.00 44.53 C ATOM 488 O LYS B 13 -22.740 12.068 16.317 1.00 45.54 O ATOM 489 CB LYS B 13 -25.003 10.415 17.291 1.00 45.77 C ATOM 490 CG LYS B 13 -24.481 9.145 16.631 1.00 46.71 C ATOM 491 CD LYS B 13 -25.220 7.903 17.115 1.00 47.44 C ATOM 492 CE LYS B 13 -24.647 6.630 16.507 1.00 47.90 C ATOM 493 NZ LYS B 13 -24.926 5.460 17.391 1.00 49.17 N ATOM 494 N LYS B 14 -21.585 10.831 17.782 1.00 44.04 N ATOM 495 CA LYS B 14 -20.330 11.021 17.070 1.00 43.14 C ATOM 496 C LYS B 14 -19.934 9.909 16.100 1.00 42.08 C ATOM 497 O LYS B 14 -19.919 8.735 16.443 1.00 39.97 O ATOM 498 CB LYS B 14 -19.192 11.249 18.064 1.00 44.87 C ATOM 499 CG LYS B 14 -19.190 12.628 18.703 1.00 46.38 C ATOM 500 CD LYS B 14 -17.934 12.834 19.549 1.00 46.39 C ATOM 501 CE LYS B 14 -17.829 14.265 20.074 1.00 48.36 C ATOM 502 NZ LYS B 14 -16.573 14.490 20.858 1.00 48.87 N ATOM 503 N LYS B 15 -19.604 10.309 14.879 1.00 41.52 N ATOM 504 CA LYS B 15 -19.169 9.385 13.838 1.00 40.95 C ATOM 505 C LYS B 15 -17.797 8.829 14.210 1.00 38.45 C ATOM 506 O LYS B 15 -16.890 9.591 14.516 1.00 37.64 O ATOM 507 CB LYS B 15 -19.055 10.125 12.507 1.00 43.13 C ATOM 508 CG LYS B 15 -18.431 11.520 12.641 1.00 46.41 C ATOM 509 CD LYS B 15 -17.688 11.920 11.376 1.00 47.00 C ATOM 510 CE LYS B 15 -17.700 13.422 11.191 1.00 46.24 C ATOM 511 NZ LYS B 15 -16.999 13.789 9.934 1.00 49.21 N ATOM 512 N LYS B 16 -17.631 7.510 14.162 1.00 36.75 N ATOM 513 CA LYS B 16 -16.342 6.924 14.519 1.00 34.57 C ATOM 514 C LYS B 16 -15.281 7.120 13.442 1.00 33.03 C ATOM 515 O LYS B 16 -15.585 7.132 12.250 1.00 34.06 O ATOM 516 CB LYS B 16 -16.496 5.438 14.860 1.00 32.79 C ATOM 517 CG LYS B 16 -17.471 5.184 16.015 1.00 33.00 C ATOM 518 CD LYS B 16 -17.446 3.731 16.464 1.00 33.72 C ATOM 519 CE LYS B 16 -18.765 3.312 17.083 1.00 34.16 C ATOM 520 NZ LYS B 16 -19.256 4.307 18.061 1.00 34.95 N ATOM 521 N VAL B 17 -14.038 7.287 13.890 1.00 32.10 N ATOM 522 CA VAL B 17 -12.877 7.501 13.025 1.00 30.70 C ATOM 523 C VAL B 17 -11.906 6.320 13.037 1.00 29.47 C ATOM 524 O VAL B 17 -11.747 5.624 14.038 1.00 29.29 O ATOM 525 CB VAL B 17 -12.109 8.796 13.424 1.00 30.48 C ATOM 526 CG1 VAL B 17 -12.981 10.014 13.153 1.00 31.40 C ATOM 527 CG2 VAL B 17 -11.737 8.766 14.901 1.00 30.00 C ATOM 528 N SER B 18 -11.246 6.119 11.910 1.00 27.62 N ATOM 529 CA SER B 18 -10.325 5.023 11.750 1.00 28.16 C ATOM 530 C SER B 18 -9.010 5.110 12.526 1.00 28.03 C ATOM 531 O SER B 18 -8.326 6.125 12.506 1.00 30.33 O ATOM 532 CB SER B 18 -10.033 4.834 10.258 1.00 27.52 C ATOM 533 OG SER B 18 -9.032 3.844 10.066 1.00 30.71 O ATOM 534 N LEU B 19 -8.675 4.023 13.212 1.00 26.98 N ATOM 535 CA LEU B 19 -7.427 3.904 13.953 1.00 26.97 C ATOM 536 C LEU B 19 -6.806 2.675 13.315 1.00 26.88 C ATOM 537 O LEU B 19 -7.366 1.587 13.400 1.00 26.59 O ATOM 538 CB LEU B 19 -7.668 3.630 15.445 1.00 28.19 C ATOM 539 CG LEU B 19 -6.421 3.560 16.342 1.00 26.30 C ATOM 540 CD1 LEU B 19 -5.755 4.929 16.448 1.00 27.84 C ATOM 541 CD2 LEU B 19 -6.824 3.091 17.721 1.00 23.26 C ATOM 542 N HIS B 20 -5.668 2.849 12.659 1.00 27.15 N ATOM 543 CA HIS B 20 -4.996 1.743 12.002 1.00 30.01 C ATOM 544 C HIS B 20 -3.573 1.602 12.501 1.00 30.52 C ATOM 545 O HIS B 20 -2.760 2.492 12.296 1.00 31.98 O ATOM 546 CB HIS B 20 -4.971 1.963 10.483 1.00 29.50 C ATOM 547 CG HIS B 20 -4.493 0.775 9.704 1.00 29.37 C ATOM 548 ND1 HIS B 20 -4.093 0.861 8.388 1.00 27.92 N ATOM 549 CD2 HIS B 20 -4.410 -0.536 10.038 1.00 28.23 C ATOM 550 CE1 HIS B 20 -3.786 -0.346 7.943 1.00 27.43 C ATOM 551 NE2 HIS B 20 -3.971 -1.210 8.923 1.00 26.51 N ATOM 552 N LEU B 21 -3.264 0.482 13.147 1.00 31.94 N ATOM 553 CA LEU B 21 -1.910 0.267 13.643 1.00 28.76 C ATOM 554 C LEU B 21 -1.470 -1.177 13.605 1.00 28.46 C ATOM 555 O LEU B 21 -2.285 -2.090 13.589 1.00 26.29 O ATOM 556 CB LEU B 21 -1.752 0.806 15.080 1.00 30.72 C ATOM 557 CG LEU B 21 -2.709 0.604 16.280 1.00 32.00 C ATOM 558 CD1 LEU B 21 -3.966 -0.125 15.885 1.00 31.74 C ATOM 559 CD2 LEU B 21 -1.981 -0.147 17.370 1.00 30.56 C ATOM 560 N LEU B 22 -0.159 -1.373 13.601 1.00 27.29 N ATOM 561 CA LEU B 22 0.406 -2.708 13.593 1.00 28.79 C ATOM 562 C LEU B 22 0.586 -3.146 15.046 1.00 29.91 C ATOM 563 O LEU B 22 0.997 -2.349 15.896 1.00 31.62 O ATOM 564 CB LEU B 22 1.753 -2.707 12.864 1.00 26.99 C ATOM 565 CG LEU B 22 1.714 -2.375 11.371 1.00 28.75 C ATOM 566 CD1 LEU B 22 3.095 -2.102 10.863 1.00 29.75 C ATOM 567 CD2 LEU B 22 1.118 -3.522 10.609 1.00 30.68 C ATOM 568 N VAL B 23 0.256 -4.402 15.330 1.00 27.99 N ATOM 569 CA VAL B 23 0.402 -4.946 16.672 1.00 28.69 C ATOM 570 C VAL B 23 1.113 -6.290 16.601 1.00 30.18 C ATOM 571 O VAL B 23 1.070 -6.972 15.570 1.00 28.27 O ATOM 572 CB VAL B 23 -0.962 -5.139 17.369 1.00 27.94 C ATOM 573 CG1 VAL B 23 -1.686 -3.793 17.482 1.00 23.99 C ATOM 574 CG2 VAL B 23 -1.808 -6.159 16.613 1.00 26.76 C ATOM 575 N ASP B 24 1.789 -6.662 17.684 1.00 30.97 N ATOM 576 CA ASP B 24 2.482 -7.943 17.717 1.00 32.76 C ATOM 577 C ASP B 24 1.387 -8.987 17.620 1.00 30.42 C ATOM 578 O ASP B 24 0.315 -8.817 18.201 1.00 32.28 O ATOM 579 CB ASP B 24 3.282 -8.110 19.021 1.00 35.40 C ATOM 580 CG ASP B 24 4.487 -7.173 19.099 1.00 40.09 C ATOM 581 OD1 ASP B 24 5.315 -7.160 18.161 1.00 40.82 O ATOM 582 OD2 ASP B 24 4.614 -6.445 20.104 1.00 43.02 O ATOM 583 N PRO B 25 1.630 -10.062 16.861 1.00 30.02 N ATOM 584 CA PRO B 25 0.658 -11.147 16.676 1.00 29.72 C ATOM 585 C PRO B 25 0.110 -11.716 17.979 1.00 30.60 C ATOM 586 O PRO B 25 -1.046 -12.133 18.060 1.00 30.02 O ATOM 587 CB PRO B 25 1.437 -12.178 15.857 1.00 28.12 C ATOM 588 CG PRO B 25 2.885 -11.860 16.162 1.00 30.57 C ATOM 589 CD PRO B 25 2.892 -10.360 16.168 1.00 29.20 C ATOM 590 N ASP B 26 0.955 -11.722 19.001 1.00 31.45 N ATOM 591 CA ASP B 26 0.576 -12.218 20.317 1.00 32.86 C ATOM 592 C ASP B 26 -0.482 -11.307 20.952 1.00 31.76 C ATOM 593 O ASP B 26 -1.427 -11.773 21.585 1.00 31.17 O ATOM 594 CB ASP B 26 1.819 -12.291 21.217 1.00 36.72 C ATOM 595 CG ASP B 26 2.718 -11.057 21.080 1.00 40.52 C ATOM 596 OD1 ASP B 26 3.321 -10.870 19.997 1.00 41.70 O ATOM 597 OD2 ASP B 26 2.811 -10.269 22.045 1.00 41.87 O ATOM 598 N MET B 27 -0.332 -10.002 20.773 1.00 31.24 N ATOM 599 CA MET B 27 -1.295 -9.076 21.345 1.00 30.57 C ATOM 600 C MET B 27 -2.623 -9.155 20.618 1.00 29.14 C ATOM 601 O MET B 27 -3.681 -9.047 21.234 1.00 25.89 O ATOM 602 CB MET B 27 -0.758 -7.644 21.301 1.00 32.51 C ATOM 603 CG MET B 27 -1.742 -6.580 21.802 1.00 34.17 C ATOM 604 SD MET B 27 -0.967 -4.963 22.116 1.00 38.68 S ATOM 605 CE MET B 27 -0.699 -4.423 20.526 1.00 35.26 C ATOM 606 N LYS B 28 -2.576 -9.355 19.305 1.00 30.34 N ATOM 607 CA LYS B 28 -3.815 -9.441 18.555 1.00 30.32 C ATOM 608 C LYS B 28 -4.583 -10.678 18.974 1.00 30.57 C ATOM 609 O LYS B 28 -5.799 -10.621 19.149 1.00 30.27 O ATOM 610 CB LYS B 28 -3.559 -9.457 17.050 1.00 32.49 C ATOM 611 CG LYS B 28 -4.856 -9.512 16.241 1.00 33.76 C ATOM 612 CD LYS B 28 -4.694 -9.012 14.807 1.00 33.05 C ATOM 613 CE LYS B 28 -6.041 -8.970 14.082 1.00 32.46 C ATOM 614 NZ LYS B 28 -5.907 -8.384 12.719 1.00 32.05 N ATOM 615 N ASP B 29 -3.878 -11.796 19.139 1.00 30.10 N ATOM 616 CA ASP B 29 -4.527 -13.032 19.576 1.00 30.51 C ATOM 617 C ASP B 29 -5.223 -12.778 20.904 1.00 30.68 C ATOM 618 O ASP B 29 -6.270 -13.372 21.191 1.00 31.48 O ATOM 619 CB ASP B 29 -3.511 -14.171 19.762 1.00 29.92 C ATOM 620 CG ASP B 29 -2.864 -14.580 18.466 1.00 29.73 C ATOM 621 OD1 ASP B 29 -3.574 -14.655 17.443 1.00 34.33 O ATOM 622 OD2 ASP B 29 -1.648 -14.835 18.454 1.00 31.72 O ATOM 623 N GLU B 30 -4.648 -11.889 21.712 1.00 30.03 N ATOM 624 CA GLU B 30 -5.219 -11.589 23.019 1.00 29.65 C ATOM 625 C GLU B 30 -6.416 -10.682 22.923 1.00 28.30 C ATOM 626 O GLU B 30 -7.343 -10.783 23.732 1.00 28.01 O ATOM 627 CB GLU B 30 -4.167 -10.968 23.925 1.00 32.73 C ATOM 628 CG GLU B 30 -3.437 -11.970 24.795 1.00 34.20 C ATOM 629 CD GLU B 30 -2.132 -11.416 25.328 1.00 38.49 C ATOM 630 OE1 GLU B 30 -2.116 -10.248 25.770 1.00 40.03 O ATOM 631 OE2 GLU B 30 -1.120 -12.152 25.313 1.00 41.57 O ATOM 632 N ILE B 31 -6.404 -9.791 21.934 1.00 27.36 N ATOM 633 CA ILE B 31 -7.533 -8.888 21.748 1.00 25.11 C ATOM 634 C ILE B 31 -8.668 -9.741 21.199 1.00 24.62 C ATOM 635 O ILE B 31 -9.824 -9.554 21.556 1.00 25.35 O ATOM 636 CB ILE B 31 -7.201 -7.737 20.769 1.00 24.99 C ATOM 637 CG1 ILE B 31 -6.049 -6.889 21.338 1.00 23.68 C ATOM 638 CG2 ILE B 31 -8.432 -6.861 20.568 1.00 22.90 C ATOM 639 CD1 ILE B 31 -5.529 -5.845 20.391 1.00 21.62 C ATOM 640 N ILE B 32 -8.321 -10.697 20.346 1.00 23.98 N ATOM 641 CA ILE B 32 -9.305 -11.590 19.754 1.00 26.58 C ATOM 642 C ILE B 32 -9.927 -12.518 20.813 1.00 29.44 C ATOM 643 O ILE B 32 -11.147 -12.734 20.818 1.00 29.37 O ATOM 644 CB ILE B 32 -8.687 -12.422 18.626 1.00 26.94 C ATOM 645 CG1 ILE B 32 -8.470 -11.533 17.391 1.00 25.01 C ATOM 646 CG2 ILE B 32 -9.574 -13.613 18.316 1.00 28.08 C ATOM 647 CD1 ILE B 32 -7.712 -12.234 16.263 1.00 21.64 C ATOM 648 N LYS B 33 -9.111 -13.059 21.713 1.00 28.67 N ATOM 649 CA LYS B 33 -9.653 -13.926 22.744 1.00 29.73 C ATOM 650 C LYS B 33 -10.636 -13.121 23.591 1.00 29.11 C ATOM 651 O LYS B 33 -11.661 -13.645 23.995 1.00 28.23 O ATOM 652 CB LYS B 33 -8.536 -14.495 23.620 1.00 33.82 C ATOM 653 CG LYS B 33 -9.021 -15.407 24.744 1.00 39.23 C ATOM 654 CD LYS B 33 -7.852 -16.122 25.410 1.00 42.81 C ATOM 655 CE LYS B 33 -7.129 -17.046 24.428 1.00 43.25 C ATOM 656 NZ LYS B 33 -7.923 -18.263 24.062 1.00 44.71 N ATOM 657 N TYR B 34 -10.334 -11.847 23.848 1.00 29.21 N ATOM 658 CA TYR B 34 -11.227 -10.986 24.638 1.00 28.55 C ATOM 659 C TYR B 34 -12.519 -10.709 23.859 1.00 26.82 C ATOM 660 O TYR B 34 -13.604 -10.655 24.431 1.00 27.51 O ATOM 661 CB TYR B 34 -10.544 -9.648 24.968 1.00 30.10 C ATOM 662 CG TYR B 34 -11.398 -8.686 25.791 1.00 30.98 C ATOM 663 CD1 TYR B 34 -11.349 -8.690 27.183 1.00 32.46 C ATOM 664 CD2 TYR B 34 -12.274 -7.795 25.176 1.00 32.70 C ATOM 665 CE1 TYR B 34 -12.153 -7.831 27.941 1.00 33.49 C ATOM 666 CE2 TYR B 34 -13.086 -6.933 25.924 1.00 32.61 C ATOM 667 CZ TYR B 34 -13.021 -6.956 27.306 1.00 35.28 C ATOM 668 OH TYR B 34 -13.835 -6.114 28.050 1.00 38.04 O ATOM 669 N ALA B 35 -12.391 -10.524 22.550 1.00 26.10 N ATOM 670 CA ALA B 35 -13.542 -10.258 21.698 1.00 24.35 C ATOM 671 C ALA B 35 -14.463 -11.480 21.704 1.00 25.28 C ATOM 672 O ALA B 35 -15.690 -11.364 21.728 1.00 24.86 O ATOM 673 CB ALA B 35 -13.076 -9.942 20.277 1.00 21.92 C ATOM 674 N GLN B 36 -13.859 -12.659 21.693 1.00 25.49 N ATOM 675 CA GLN B 36 -14.621 -13.895 21.721 1.00 28.57 C ATOM 676 C GLN B 36 -15.398 -14.036 23.034 1.00 31.07 C ATOM 677 O GLN B 36 -16.597 -14.319 23.026 1.00 33.49 O ATOM 678 CB GLN B 36 -13.679 -15.088 21.536 1.00 27.09 C ATOM 679 CG GLN B 36 -13.107 -15.208 20.138 1.00 23.95 C ATOM 680 CD GLN B 36 -12.015 -16.247 20.054 1.00 28.54 C ATOM 681 OE1 GLN B 36 -11.651 -16.862 21.061 1.00 28.40 O ATOM 682 NE2 GLN B 36 -11.474 -16.448 18.849 1.00 27.26 N ATOM 683 N GLU B 37 -14.721 -13.806 24.154 1.00 34.21 N ATOM 684 CA GLU B 37 -15.329 -13.922 25.476 1.00 36.70 C ATOM 685 C GLU B 37 -16.344 -12.824 25.798 1.00 38.08 C ATOM 686 O GLU B 37 -17.333 -13.072 26.502 1.00 37.56 O ATOM 687 CB GLU B 37 -14.229 -13.909 26.543 1.00 37.40 C ATOM 688 CG GLU B 37 -13.194 -15.021 26.385 1.00 40.89 C ATOM 689 CD GLU B 37 -11.905 -14.736 27.143 1.00 42.44 C ATOM 690 OE1 GLU B 37 -10.955 -15.540 27.031 1.00 44.74 O ATOM 691 OE2 GLU B 37 -11.840 -13.705 27.848 1.00 45.10 O ATOM 692 N LYS B 38 -16.113 -11.624 25.269 1.00 38.43 N ATOM 693 CA LYS B 38 -16.984 -10.496 25.568 1.00 38.11 C ATOM 694 C LYS B 38 -17.792 -9.838 24.460 1.00 35.73 C ATOM 695 O LYS B 38 -18.901 -9.391 24.715 1.00 35.99 O ATOM 696 CB LYS B 38 -16.170 -9.387 26.256 1.00 40.55 C ATOM 697 CG LYS B 38 -15.739 -9.683 27.682 1.00 41.01 C ATOM 698 CD LYS B 38 -16.932 -9.762 28.620 1.00 42.06 C ATOM 699 CE LYS B 38 -16.493 -10.052 30.042 1.00 43.29 C ATOM 700 NZ LYS B 38 -15.786 -11.360 30.118 1.00 42.71 N ATOM 701 N ASP B 39 -17.271 -9.763 23.242 1.00 33.03 N ATOM 702 CA ASP B 39 -18.007 -9.040 22.215 1.00 30.22 C ATOM 703 C ASP B 39 -18.468 -9.781 20.989 1.00 30.97 C ATOM 704 O ASP B 39 -18.545 -9.187 19.916 1.00 32.47 O ATOM 705 CB ASP B 39 -17.179 -7.856 21.759 1.00 30.81 C ATOM 706 CG ASP B 39 -16.462 -7.178 22.903 1.00 29.78 C ATOM 707 OD1 ASP B 39 -17.117 -6.509 23.726 1.00 30.73 O ATOM 708 OD2 ASP B 39 -15.230 -7.323 22.988 1.00 33.85 O ATOM 709 N PHE B 40 -18.797 -11.058 21.133 1.00 29.82 N ATOM 710 CA PHE B 40 -19.242 -11.841 19.989 1.00 29.01 C ATOM 711 C PHE B 40 -18.278 -11.724 18.822 1.00 26.20 C ATOM 712 O PHE B 40 -18.685 -11.575 17.672 1.00 23.62 O ATOM 713 CB PHE B 40 -20.647 -11.411 19.580 1.00 33.01 C ATOM 714 CG PHE B 40 -21.714 -11.879 20.536 1.00 37.66 C ATOM 715 CD1 PHE B 40 -22.872 -11.135 20.730 1.00 40.67 C ATOM 716 CD2 PHE B 40 -21.564 -13.078 21.229 1.00 39.59 C ATOM 717 CE1 PHE B 40 -23.864 -11.576 21.605 1.00 42.92 C ATOM 718 CE2 PHE B 40 -22.553 -13.530 22.107 1.00 42.76 C ATOM 719 CZ PHE B 40 -23.706 -12.778 22.294 1.00 42.56 C ATOM 720 N ASP B 41 -16.991 -11.794 19.154 1.00 23.56 N ATOM 721 CA ASP B 41 -15.908 -11.745 18.187 1.00 21.24 C ATOM 722 C ASP B 41 -15.757 -10.429 17.430 1.00 19.78 C ATOM 723 O ASP B 41 -15.063 -10.379 16.432 1.00 16.90 O ATOM 724 CB ASP B 41 -16.043 -12.920 17.207 1.00 21.54 C ATOM 725 CG ASP B 41 -14.698 -13.513 16.822 1.00 24.20 C ATOM 726 OD1 ASP B 41 -13.698 -13.141 17.469 1.00 27.35 O ATOM 727 OD2 ASP B 41 -14.628 -14.353 15.898 1.00 21.93 O ATOM 728 N ASN B 42 -16.403 -9.366 17.903 1.00 20.81 N ATOM 729 CA ASN B 42 -16.263 -8.058 17.248 1.00 22.64 C ATOM 730 C ASN B 42 -14.956 -7.450 17.763 1.00 23.06 C ATOM 731 O ASN B 42 -14.930 -6.791 18.802 1.00 23.21 O ATOM 732 CB ASN B 42 -17.427 -7.117 17.588 1.00 21.92 C ATOM 733 CG ASN B 42 -17.336 -5.800 16.832 1.00 24.42 C ATOM 734 OD1 ASN B 42 -16.232 -5.341 16.520 1.00 25.54 O ATOM 735 ND2 ASN B 42 -18.486 -5.182 16.537 1.00 21.35 N ATOM 736 N VAL B 43 -13.874 -7.707 17.038 1.00 23.25 N ATOM 737 CA VAL B 43 -12.544 -7.239 17.412 1.00 23.63 C ATOM 738 C VAL B 43 -12.455 -5.738 17.626 1.00 24.18 C ATOM 739 O VAL B 43 -11.819 -5.289 18.577 1.00 24.03 O ATOM 740 CB VAL B 43 -11.491 -7.665 16.364 1.00 24.03 C ATOM 741 CG1 VAL B 43 -10.145 -7.072 16.700 1.00 21.02 C ATOM 742 CG2 VAL B 43 -11.413 -9.180 16.320 1.00 22.15 C ATOM 743 N SER B 44 -13.083 -4.965 16.742 1.00 24.10 N ATOM 744 CA SER B 44 -13.089 -3.505 16.858 1.00 24.36 C ATOM 745 C SER B 44 -13.680 -3.063 18.203 1.00 26.24 C ATOM 746 O SER B 44 -13.143 -2.165 18.862 1.00 26.81 O ATOM 747 CB SER B 44 -13.917 -2.875 15.724 1.00 22.42 C ATOM 748 OG SER B 44 -13.334 -3.108 14.448 1.00 22.86 O ATOM 749 N GLN B 45 -14.790 -3.682 18.606 1.00 27.33 N ATOM 750 CA GLN B 45 -15.437 -3.325 19.865 1.00 28.64 C ATOM 751 C GLN B 45 -14.577 -3.716 21.069 1.00 27.99 C ATOM 752 O GLN B 45 -14.550 -3.011 22.069 1.00 29.61 O ATOM 753 CB GLN B 45 -16.813 -3.986 19.954 1.00 31.96 C ATOM 754 CG GLN B 45 -17.529 -3.829 21.293 1.00 34.75 C ATOM 755 CD GLN B 45 -18.996 -4.237 21.225 1.00 40.89 C ATOM 756 OE1 GLN B 45 -19.635 -4.466 22.256 1.00 43.01 O ATOM 757 NE2 GLN B 45 -19.542 -4.314 20.008 1.00 42.25 N ATOM 758 N ALA B 46 -13.879 -4.840 20.968 1.00 26.99 N ATOM 759 CA ALA B 46 -13.008 -5.294 22.039 1.00 26.93 C ATOM 760 C ALA B 46 -11.842 -4.304 22.145 1.00 28.19 C ATOM 761 O ALA B 46 -11.454 -3.914 23.241 1.00 27.48 O ATOM 762 CB ALA B 46 -12.498 -6.709 21.739 1.00 25.02 C ATOM 763 N GLY B 47 -11.312 -3.890 20.995 1.00 25.88 N ATOM 764 CA GLY B 47 -10.223 -2.933 20.971 1.00 26.72 C ATOM 765 C GLY B 47 -10.586 -1.601 21.622 1.00 27.85 C ATOM 766 O GLY B 47 -9.755 -0.988 22.278 1.00 25.22 O ATOM 767 N ARG B 48 -11.825 -1.147 21.436 1.00 28.23 N ATOM 768 CA ARG B 48 -12.291 0.108 22.034 1.00 29.95 C ATOM 769 C ARG B 48 -12.354 0.001 23.556 1.00 29.87 C ATOM 770 O ARG B 48 -11.866 0.885 24.261 1.00 29.93 O ATOM 771 CB ARG B 48 -13.692 0.469 21.529 1.00 30.67 C ATOM 772 CG ARG B 48 -13.735 1.264 20.244 1.00 29.72 C ATOM 773 CD ARG B 48 -15.163 1.357 19.720 1.00 28.70 C ATOM 774 NE ARG B 48 -15.138 1.006 18.313 1.00 29.38 N ATOM 775 CZ ARG B 48 -15.956 0.152 17.722 1.00 25.04 C ATOM 776 NH1 ARG B 48 -16.917 -0.461 18.403 1.00 21.64 N ATOM 777 NH2 ARG B 48 -15.757 -0.120 16.448 1.00 25.28 N ATOM 778 N GLU B 49 -12.973 -1.074 24.049 1.00 28.28 N ATOM 779 CA GLU B 49 -13.108 -1.310 25.484 1.00 29.40 C ATOM 780 C GLU B 49 -11.729 -1.431 26.132 1.00 27.77 C ATOM 781 O GLU B 49 -11.482 -0.888 27.203 1.00 28.83 O ATOM 782 CB GLU B 49 -13.907 -2.593 25.746 1.00 30.33 C ATOM 783 CG GLU B 49 -15.209 -2.689 24.967 1.00 36.46 C ATOM 784 CD GLU B 49 -15.954 -3.998 25.206 1.00 38.99 C ATOM 785 OE1 GLU B 49 -15.293 -5.060 25.257 1.00 41.91 O ATOM 786 OE2 GLU B 49 -17.201 -3.965 25.329 1.00 38.04 O ATOM 787 N ILE B 50 -10.835 -2.149 25.469 1.00 28.07 N ATOM 788 CA ILE B 50 -9.483 -2.344 25.964 1.00 27.26 C ATOM 789 C ILE B 50 -8.725 -1.027 25.969 1.00 28.01 C ATOM 790 O ILE B 50 -8.088 -0.666 26.956 1.00 29.32 O ATOM 791 CB ILE B 50 -8.752 -3.371 25.098 1.00 26.93 C ATOM 792 CG1 ILE B 50 -9.461 -4.721 25.240 1.00 26.47 C ATOM 793 CG2 ILE B 50 -7.277 -3.469 25.498 1.00 27.61 C ATOM 794 CD1 ILE B 50 -8.981 -5.779 24.256 1.00 27.86 C ATOM 795 N LEU B 51 -8.800 -0.300 24.864 1.00 28.54 N ATOM 796 CA LEU B 51 -8.124 0.978 24.778 1.00 28.11 C ATOM 797 C LEU B 51 -8.634 1.926 25.864 1.00 28.72 C ATOM 798 O LEU B 51 -7.863 2.668 26.468 1.00 25.70 O ATOM 799 CB LEU B 51 -8.334 1.600 23.391 1.00 24.53 C ATOM 800 CG LEU B 51 -7.439 1.072 22.264 1.00 26.41 C ATOM 801 CD1 LEU B 51 -7.924 1.586 20.920 1.00 24.96 C ATOM 802 CD2 LEU B 51 -6.003 1.511 22.504 1.00 24.94 C ATOM 803 N LYS B 52 -9.936 1.891 26.116 1.00 30.83 N ATOM 804 CA LYS B 52 -10.527 2.766 27.114 1.00 33.69 C ATOM 805 C LYS B 52 -10.007 2.459 28.517 1.00 35.81 C ATOM 806 O LYS B 52 -9.760 3.369 29.306 1.00 38.09 O ATOM 807 CB LYS B 52 -12.055 2.655 27.080 1.00 35.25 C ATOM 808 CG LYS B 52 -12.741 3.533 28.108 1.00 37.17 C ATOM 809 CD LYS B 52 -12.263 4.978 27.982 1.00 40.03 C ATOM 810 CE LYS B 52 -12.770 5.844 29.122 1.00 40.34 C ATOM 811 NZ LYS B 52 -12.345 7.265 28.942 1.00 43.34 N ATOM 812 N LYS B 53 -9.842 1.180 28.834 1.00 36.07 N ATOM 813 CA LYS B 53 -9.332 0.814 30.139 1.00 35.89 C ATOM 814 C LYS B 53 -7.897 1.303 30.239 1.00 37.25 C ATOM 815 O LYS B 53 -7.472 1.800 31.284 1.00 38.92 O ATOM 816 CB LYS B 53 -9.382 -0.699 30.328 1.00 34.71 C ATOM 817 CG LYS B 53 -10.787 -1.268 30.337 1.00 36.40 C ATOM 818 CD LYS B 53 -10.761 -2.797 30.308 1.00 38.74 C ATOM 819 CE LYS B 53 -12.163 -3.397 30.307 1.00 38.41 C ATOM 820 NZ LYS B 53 -12.927 -3.065 31.544 1.00 40.53 N ATOM 821 N GLY B 54 -7.153 1.168 29.146 1.00 36.43 N ATOM 822 CA GLY B 54 -5.769 1.604 29.144 1.00 36.99 C ATOM 823 C GLY B 54 -5.656 3.102 29.329 1.00 39.10 C ATOM 824 O GLY B 54 -4.765 3.590 30.029 1.00 38.28 O ATOM 825 N LEU B 55 -6.563 3.834 28.689 1.00 40.10 N ATOM 826 CA LEU B 55 -6.581 5.288 28.778 1.00 42.26 C ATOM 827 C LEU B 55 -6.966 5.738 30.182 1.00 44.10 C ATOM 828 O LEU B 55 -6.482 6.757 30.667 1.00 42.88 O ATOM 829 CB LEU B 55 -7.556 5.869 27.747 1.00 39.81 C ATOM 830 CG LEU B 55 -7.035 5.831 26.307 1.00 40.42 C ATOM 831 CD1 LEU B 55 -8.154 6.128 25.343 1.00 40.26 C ATOM 832 CD2 LEU B 55 -5.904 6.835 26.146 1.00 37.72 C ATOM 833 N GLU B 56 -7.840 4.972 30.828 1.00 47.52 N ATOM 834 CA GLU B 56 -8.275 5.282 32.184 1.00 50.43 C ATOM 835 C GLU B 56 -7.108 5.196 33.169 1.00 52.49 C ATOM 836 O GLU B 56 -7.087 5.904 34.174 1.00 52.62 O ATOM 837 CB GLU B 56 -9.421 4.351 32.591 1.00 51.12 C ATOM 838 CG GLU B 56 -10.772 4.835 32.068 1.00 52.64 C ATOM 839 CD GLU B 56 -11.889 3.828 32.249 1.00 53.64 C ATOM 840 OE1 GLU B 56 -13.054 4.185 31.976 1.00 54.97 O ATOM 841 OE2 GLU B 56 -11.611 2.680 32.654 1.00 56.47 O ATOM 842 N GLN B 57 -6.139 4.328 32.888 1.00 55.63 N ATOM 843 CA GLN B 57 -4.960 4.234 33.743 1.00 58.50 C ATOM 844 C GLN B 57 -4.323 5.618 33.632 1.00 60.93 C ATOM 845 O GLN B 57 -4.440 6.452 34.535 1.00 62.04 O ATOM 846 CB GLN B 57 -3.970 3.188 33.219 1.00 58.77 C ATOM 847 CG GLN B 57 -4.072 1.831 33.876 1.00 61.49 C ATOM 848 CD GLN B 57 -4.936 0.858 33.101 1.00 64.11 C ATOM 849 OE1 GLN B 57 -5.759 0.151 33.680 1.00 66.68 O ATOM 850 NE2 GLN B 57 -4.743 0.804 31.786 1.00 65.44 N ATOM 851 N ILE B 58 -3.665 5.839 32.495 1.00 61.19 N ATOM 852 CA ILE B 58 -3.004 7.094 32.157 1.00 62.28 C ATOM 853 C ILE B 58 -3.545 8.287 32.946 1.00 63.36 C ATOM 854 O ILE B 58 -3.073 8.599 34.033 1.00 63.93 O ATOM 855 CB ILE B 58 -3.171 7.397 30.644 1.00 61.69 C ATOM 856 CG1 ILE B 58 -2.810 6.159 29.817 1.00 59.85 C ATOM 857 CG2 ILE B 58 -2.326 8.603 30.251 1.00 62.23 C ATOM 858 CD1 ILE B 58 -1.406 5.649 30.030 1.00 58.57 C ATOM 859 N ALA B 59 -4.561 8.921 32.408 1.00 63.89 N ATOM 860 CA ALA B 59 -5.165 10.108 32.994 1.00 65.13 C ATOM 861 C ALA B 59 -5.498 9.904 34.469 1.00 65.59 C ATOM 862 O ALA B 59 -5.734 10.978 35.133 1.00 65.58 O ATOM 863 CB ALA B 59 -6.418 10.493 32.218 1.00 64.86 C ATOM 864 OXT ALA B 59 -5.544 8.738 34.931 1.00 66.28 O TER 865 ALA B 59 ATOM 866 O5' DA C 2 10.439 -8.219 7.677 1.00 57.60 O ATOM 867 C5' DA C 2 9.470 -7.185 7.886 1.00 56.54 C ATOM 868 C4' DA C 2 9.774 -6.308 9.079 1.00 55.30 C ATOM 869 O4' DA C 2 10.697 -5.277 8.661 1.00 55.52 O ATOM 870 C3' DA C 2 8.556 -5.553 9.609 1.00 53.94 C ATOM 871 O3' DA C 2 8.702 -5.282 11.005 1.00 50.55 O ATOM 872 C2' DA C 2 8.559 -4.282 8.782 1.00 55.43 C ATOM 873 C1' DA C 2 10.044 -4.014 8.590 1.00 56.07 C ATOM 874 N9 DA C 2 10.374 -3.427 7.296 1.00 58.20 N ATOM 875 C8 DA C 2 10.868 -4.085 6.197 1.00 59.94 C ATOM 876 N7 DA C 2 11.063 -3.311 5.159 1.00 61.43 N ATOM 877 C5 DA C 2 10.671 -2.055 5.604 1.00 60.66 C ATOM 878 C6 DA C 2 10.633 -0.803 4.973 1.00 61.18 C ATOM 879 N6 DA C 2 10.998 -0.611 3.702 1.00 61.86 N ATOM 880 N1 DA C 2 10.197 0.254 5.696 1.00 61.06 N ATOM 881 C2 DA C 2 9.823 0.049 6.966 1.00 59.70 C ATOM 882 N3 DA C 2 9.809 -1.084 7.669 1.00 59.19 N ATOM 883 C4 DA C 2 10.250 -2.111 6.921 1.00 59.37 C ATOM 884 P DC C 3 7.419 -4.844 11.872 1.00 50.14 P ATOM 885 OP1 DC C 3 7.782 -4.977 13.306 1.00 49.01 O ATOM 886 OP2 DC C 3 6.249 -5.587 11.337 1.00 50.21 O ATOM 887 O5' DC C 3 7.245 -3.297 11.537 1.00 48.06 O ATOM 888 C5' DC C 3 8.383 -2.446 11.521 1.00 44.87 C ATOM 889 C4' DC C 3 7.981 -0.996 11.640 1.00 44.88 C ATOM 890 O4' DC C 3 8.038 -0.369 10.332 1.00 46.97 O ATOM 891 C3' DC C 3 6.544 -0.789 12.121 1.00 40.41 C ATOM 892 O3' DC C 3 6.474 0.446 12.849 1.00 34.32 O ATOM 893 C2' DC C 3 5.767 -0.754 10.817 1.00 43.62 C ATOM 894 C1' DC C 3 6.732 -0.030 9.896 1.00 46.25 C ATOM 895 N1 DC C 3 6.646 -0.272 8.444 1.00 50.45 N ATOM 896 C2 DC C 3 6.582 0.837 7.581 1.00 51.87 C ATOM 897 O2 DC C 3 6.567 1.978 8.062 1.00 51.89 O ATOM 898 N3 DC C 3 6.542 0.638 6.245 1.00 54.28 N ATOM 899 C4 DC C 3 6.561 -0.601 5.755 1.00 54.58 C ATOM 900 N4 DC C 3 6.534 -0.740 4.426 1.00 56.49 N ATOM 901 C5 DC C 3 6.610 -1.750 6.605 1.00 53.65 C ATOM 902 C6 DC C 3 6.648 -1.540 7.932 1.00 51.92 C ATOM 903 P DA C 4 5.074 0.967 13.461 1.00 32.70 P ATOM 904 OP1 DA C 4 5.352 1.536 14.802 1.00 31.09 O ATOM 905 OP2 DA C 4 4.005 -0.047 13.305 1.00 31.89 O ATOM 906 O5' DA C 4 4.679 2.165 12.492 1.00 33.42 O ATOM 907 C5' DA C 4 5.591 3.225 12.246 1.00 32.48 C ATOM 908 C4' DA C 4 4.861 4.418 11.681 1.00 32.89 C ATOM 909 O4' DA C 4 4.656 4.255 10.253 1.00 33.97 O ATOM 910 C3' DA C 4 3.464 4.548 12.272 1.00 33.09 C ATOM 911 O3' DA C 4 3.108 5.927 12.303 1.00 34.48 O ATOM 912 C2' DA C 4 2.614 3.732 11.310 1.00 35.28 C ATOM 913 C1' DA C 4 3.282 4.029 9.969 1.00 35.08 C ATOM 914 N9 DA C 4 3.203 2.981 8.950 1.00 37.76 N ATOM 915 C8 DA C 4 3.132 1.624 9.139 1.00 38.48 C ATOM 916 N7 DA C 4 3.127 0.933 8.025 1.00 39.82 N ATOM 917 C5 DA C 4 3.184 1.899 7.031 1.00 40.26 C ATOM 918 C6 DA C 4 3.213 1.813 5.621 1.00 39.30 C ATOM 919 N6 DA C 4 3.193 0.661 4.948 1.00 40.77 N ATOM 920 N1 DA C 4 3.268 2.967 4.921 1.00 39.45 N ATOM 921 C2 DA C 4 3.290 4.123 5.597 1.00 39.15 C ATOM 922 N3 DA C 4 3.268 4.334 6.915 1.00 39.86 N ATOM 923 C4 DA C 4 3.217 3.167 7.585 1.00 39.71 C ATOM 924 P DT C 5 1.779 6.391 13.057 1.00 32.37 P ATOM 925 OP1 DT C 5 2.107 7.586 13.865 1.00 36.26 O ATOM 926 OP2 DT C 5 1.195 5.201 13.702 1.00 34.66 O ATOM 927 O5' DT C 5 0.849 6.855 11.861 1.00 37.56 O ATOM 928 C5' DT C 5 1.088 6.352 10.559 1.00 43.01 C ATOM 929 C4' DT C 5 0.539 7.289 9.515 1.00 43.93 C ATOM 930 O4' DT C 5 0.643 6.608 8.249 1.00 44.62 O ATOM 931 C3' DT C 5 -0.941 7.590 9.684 1.00 47.47 C ATOM 932 O3' DT C 5 -1.223 8.864 9.111 1.00 48.73 O ATOM 933 C2' DT C 5 -1.607 6.445 8.947 1.00 44.57 C ATOM 934 C1' DT C 5 -0.634 6.162 7.813 1.00 45.01 C ATOM 935 N1 DT C 5 -0.502 4.731 7.468 1.00 45.58 N ATOM 936 C2 DT C 5 -0.249 4.407 6.154 1.00 45.39 C ATOM 937 O2 DT C 5 -0.125 5.241 5.277 1.00 45.75 O ATOM 938 N3 DT C 5 -0.142 3.063 5.905 1.00 46.62 N ATOM 939 C4 DT C 5 -0.261 2.031 6.819 1.00 47.17 C ATOM 940 O4 DT C 5 -0.153 0.861 6.444 1.00 46.07 O ATOM 941 C5 DT C 5 -0.517 2.443 8.185 1.00 45.14 C ATOM 942 C7 DT C 5 -0.647 1.394 9.246 1.00 42.63 C ATOM 943 C6 DT C 5 -0.626 3.755 8.436 1.00 43.42 C ATOM 944 P DG C 6 -2.680 9.504 9.282 1.00 54.88 P ATOM 945 OP1 DG C 6 -2.565 10.929 9.696 1.00 55.91 O ATOM 946 OP2 DG C 6 -3.505 8.562 10.088 1.00 54.25 O ATOM 947 O5' DG C 6 -3.243 9.486 7.801 1.00 53.55 O ATOM 948 C5' DG C 6 -4.242 8.565 7.432 1.00 54.67 C ATOM 949 C4' DG C 6 -4.315 8.476 5.932 1.00 55.60 C ATOM 950 O4' DG C 6 -3.633 7.270 5.501 1.00 55.13 O ATOM 951 C3' DG C 6 -5.761 8.299 5.493 1.00 56.60 C ATOM 952 O3' DG C 6 -5.928 8.867 4.200 1.00 57.24 O ATOM 953 C2' DG C 6 -5.943 6.794 5.506 1.00 54.89 C ATOM 954 C1' DG C 6 -4.584 6.326 5.029 1.00 55.18 C ATOM 955 N9 DG C 6 -4.182 4.992 5.461 1.00 55.43 N ATOM 956 C8 DG C 6 -4.222 4.465 6.729 1.00 54.50 C ATOM 957 N7 DG C 6 -3.816 3.223 6.779 1.00 54.87 N ATOM 958 C5 DG C 6 -3.483 2.918 5.466 1.00 55.50 C ATOM 959 C6 DG C 6 -2.983 1.715 4.893 1.00 57.57 C ATOM 960 O6 DG C 6 -2.726 0.637 5.453 1.00 56.96 O ATOM 961 N1 DG C 6 -2.785 1.848 3.520 1.00 57.14 N ATOM 962 C2 DG C 6 -3.036 2.984 2.792 1.00 57.06 C ATOM 963 N2 DG C 6 -2.785 2.920 1.475 1.00 57.20 N ATOM 964 N3 DG C 6 -3.501 4.103 3.313 1.00 56.36 N ATOM 965 C4 DG C 6 -3.699 4.001 4.643 1.00 55.69 C ATOM 966 P DA C 7 -7.398 9.162 3.647 1.00 58.75 P ATOM 967 OP1 DA C 7 -7.583 10.631 3.562 1.00 57.44 O ATOM 968 OP2 DA C 7 -8.350 8.344 4.439 1.00 58.72 O ATOM 969 O5' DA C 7 -7.304 8.575 2.177 1.00 60.64 O ATOM 970 C5' DA C 7 -6.089 8.704 1.447 1.00 65.80 C ATOM 971 C4' DA C 7 -6.009 7.654 0.367 1.00 69.45 C ATOM 972 O4' DA C 7 -5.736 6.359 0.963 1.00 69.96 O ATOM 973 C3' DA C 7 -7.355 7.500 -0.330 1.00 71.42 C ATOM 974 O3' DA C 7 -7.180 7.131 -1.700 1.00 74.35 O ATOM 975 C2' DA C 7 -8.047 6.429 0.497 1.00 71.49 C ATOM 976 C1' DA C 7 -6.881 5.526 0.858 1.00 70.97 C ATOM 977 N9 DA C 7 -7.009 4.740 2.089 1.00 72.79 N ATOM 978 C8 DA C 7 -7.536 5.096 3.307 1.00 73.52 C ATOM 979 N7 DA C 7 -7.529 4.124 4.193 1.00 72.88 N ATOM 980 C5 DA C 7 -6.951 3.059 3.514 1.00 73.49 C ATOM 981 C6 DA C 7 -6.664 1.724 3.891 1.00 73.89 C ATOM 982 N6 DA C 7 -6.926 1.211 5.096 1.00 72.81 N ATOM 983 N1 DA C 7 -6.089 0.923 2.969 1.00 73.97 N ATOM 984 C2 DA C 7 -5.823 1.430 1.758 1.00 74.60 C ATOM 985 N3 DA C 7 -6.044 2.655 1.286 1.00 73.56 N ATOM 986 C4 DA C 7 -6.618 3.428 2.222 1.00 73.17 C ATOM 987 P DC C 8 -8.317 7.512 -2.770 1.00 76.99 P ATOM 988 OP1 DC C 8 -7.694 8.219 -3.919 1.00 76.54 O ATOM 989 OP2 DC C 8 -9.418 8.163 -2.010 1.00 76.73 O ATOM 990 O5' DC C 8 -8.857 6.098 -3.252 1.00 76.84 O ATOM 991 C5' DC C 8 -9.163 5.101 -2.290 1.00 77.27 C ATOM 992 C4' DC C 8 -8.920 3.723 -2.855 1.00 77.98 C ATOM 993 O4' DC C 8 -8.475 2.877 -1.774 1.00 77.43 O ATOM 994 C3' DC C 8 -10.173 3.053 -3.410 1.00 78.41 C ATOM 995 O3' DC C 8 -9.818 2.097 -4.420 1.00 79.54 O ATOM 996 C2' DC C 8 -10.751 2.386 -2.178 1.00 77.42 C ATOM 997 C1' DC C 8 -9.504 1.975 -1.403 1.00 76.98 C ATOM 998 N1 DC C 8 -9.652 2.054 0.054 1.00 75.82 N ATOM 999 C2 DC C 8 -9.232 0.977 0.827 1.00 75.80 C ATOM 1000 O2 DC C 8 -8.730 -0.007 0.259 1.00 75.43 O ATOM 1001 N3 DC C 8 -9.381 1.028 2.171 1.00 75.31 N ATOM 1002 C4 DC C 8 -9.926 2.103 2.740 1.00 74.89 C ATOM 1003 N4 DC C 8 -10.064 2.102 4.068 1.00 74.37 N ATOM 1004 C5 DC C 8 -10.355 3.226 1.974 1.00 75.32 C ATOM 1005 C6 DC C 8 -10.199 3.159 0.646 1.00 75.70 C ATOM 1006 P DA C 9 -10.892 0.998 -4.896 1.00 79.94 P ATOM 1007 OP1 DA C 9 -10.305 0.237 -6.031 1.00 79.07 O ATOM 1008 OP2 DA C 9 -12.200 1.684 -5.062 1.00 78.99 O ATOM 1009 O5' DA C 9 -11.020 0.011 -3.649 1.00 79.74 O ATOM 1010 C5' DA C 9 -10.211 -1.158 -3.560 1.00 78.43 C ATOM 1011 C4' DA C 9 -11.022 -2.326 -3.047 1.00 77.58 C ATOM 1012 O4' DA C 9 -11.136 -2.267 -1.605 1.00 77.61 O ATOM 1013 C3' DA C 9 -12.460 -2.289 -3.559 1.00 77.19 C ATOM 1014 O3' DA C 9 -12.968 -3.622 -3.583 1.00 76.82 O ATOM 1015 C2' DA C 9 -13.172 -1.471 -2.494 1.00 77.27 C ATOM 1016 C1' DA C 9 -12.476 -1.970 -1.239 1.00 76.85 C ATOM 1017 N9 DA C 9 -12.459 -1.110 -0.055 1.00 76.48 N ATOM 1018 C8 DA C 9 -12.296 0.249 0.044 1.00 76.42 C ATOM 1019 N7 DA C 9 -12.320 0.695 1.280 1.00 76.12 N ATOM 1020 C5 DA C 9 -12.517 -0.449 2.045 1.00 75.77 C ATOM 1021 C6 DA C 9 -12.633 -0.661 3.438 1.00 74.80 C ATOM 1022 N6 DA C 9 -12.566 0.309 4.352 1.00 74.66 N ATOM 1023 N1 DA C 9 -12.821 -1.928 3.865 1.00 74.81 N ATOM 1024 C2 DA C 9 -12.888 -2.906 2.956 1.00 75.09 C ATOM 1025 N3 DA C 9 -12.794 -2.835 1.631 1.00 75.07 N ATOM 1026 C4 DA C 9 -12.607 -1.565 1.235 1.00 75.86 C ATOM 1027 P DT C 10 -13.694 -4.180 -4.897 1.00 75.12 P ATOM 1028 OP1 DT C 10 -12.742 -5.086 -5.594 1.00 76.70 O ATOM 1029 OP2 DT C 10 -14.285 -3.030 -5.622 1.00 75.81 O ATOM 1030 O5' DT C 10 -14.875 -5.049 -4.293 1.00 74.37 O ATOM 1031 C5' DT C 10 -15.313 -4.795 -2.972 1.00 72.67 C ATOM 1032 C4' DT C 10 -15.099 -6.013 -2.108 1.00 71.99 C ATOM 1033 O4' DT C 10 -14.687 -5.565 -0.799 1.00 72.34 O ATOM 1034 C3' DT C 10 -16.374 -6.811 -1.883 1.00 71.71 C ATOM 1035 O3' DT C 10 -16.089 -8.189 -1.653 1.00 70.72 O ATOM 1036 C2' DT C 10 -16.975 -6.143 -0.663 1.00 71.83 C ATOM 1037 C1' DT C 10 -15.745 -5.726 0.137 1.00 72.08 C ATOM 1038 N1 DT C 10 -15.914 -4.436 0.825 1.00 71.76 N ATOM 1039 C2 DT C 10 -15.764 -4.384 2.194 1.00 72.10 C ATOM 1040 O2 DT C 10 -15.488 -5.358 2.876 1.00 72.13 O ATOM 1041 N3 DT C 10 -15.950 -3.139 2.740 1.00 72.01 N ATOM 1042 C4 DT C 10 -16.261 -1.970 2.070 1.00 71.81 C ATOM 1043 O4 DT C 10 -16.399 -0.921 2.696 1.00 70.32 O ATOM 1044 C5 DT C 10 -16.400 -2.100 0.638 1.00 71.27 C ATOM 1045 C7 DT C 10 -16.737 -0.889 -0.171 1.00 70.87 C ATOM 1046 C6 DT C 10 -16.221 -3.308 0.096 1.00 70.90 C ATOM 1047 P DG C 11 -17.295 -9.240 -1.613 1.00 70.12 P ATOM 1048 OP1 DG C 11 -16.807 -10.532 -2.161 1.00 69.50 O ATOM 1049 OP2 DG C 11 -18.464 -8.567 -2.233 1.00 68.37 O ATOM 1050 O5' DG C 11 -17.604 -9.415 -0.058 1.00 71.07 O ATOM 1051 C5' DG C 11 -18.948 -9.533 0.407 1.00 72.31 C ATOM 1052 C4' DG C 11 -18.976 -9.787 1.897 1.00 73.04 C ATOM 1053 O4' DG C 11 -18.417 -8.636 2.582 1.00 73.43 O ATOM 1054 C3' DG C 11 -20.404 -9.914 2.429 1.00 73.19 C ATOM 1055 O3' DG C 11 -20.425 -10.619 3.671 1.00 72.88 O ATOM 1056 C2' DG C 11 -20.770 -8.473 2.735 1.00 73.88 C ATOM 1057 C1' DG C 11 -19.450 -7.914 3.251 1.00 73.81 C ATOM 1058 N9 DG C 11 -19.230 -6.483 3.034 1.00 74.09 N ATOM 1059 C8 DG C 11 -18.851 -5.870 1.864 1.00 73.44 C ATOM 1060 N7 DG C 11 -18.708 -4.576 1.983 1.00 73.57 N ATOM 1061 C5 DG C 11 -19.018 -4.312 3.312 1.00 74.12 C ATOM 1062 C6 DG C 11 -19.039 -3.074 4.039 1.00 73.66 C ATOM 1063 O6 DG C 11 -18.778 -1.930 3.641 1.00 73.06 O ATOM 1064 N1 DG C 11 -19.414 -3.268 5.363 1.00 72.32 N ATOM 1065 C2 DG C 11 -19.728 -4.476 5.924 1.00 72.84 C ATOM 1066 N2 DG C 11 -20.067 -4.444 7.218 1.00 72.81 N ATOM 1067 N3 DG C 11 -19.713 -5.631 5.269 1.00 73.94 N ATOM 1068 C4 DG C 11 -19.349 -5.476 3.976 1.00 74.18 C TER 1069 DG C 11 ATOM 1070 O5' DA D 2 -24.738 7.350 10.556 1.00 64.56 O ATOM 1071 C5' DA D 2 -23.376 6.963 10.325 1.00 64.09 C ATOM 1072 C4' DA D 2 -23.125 5.644 11.021 1.00 64.76 C ATOM 1073 O4' DA D 2 -23.602 4.553 10.195 1.00 66.54 O ATOM 1074 C3' DA D 2 -21.700 5.268 11.374 1.00 61.00 C ATOM 1075 O3' DA D 2 -21.730 4.433 12.529 1.00 55.34 O ATOM 1076 C2' DA D 2 -21.238 4.568 10.108 1.00 63.91 C ATOM 1077 C1' DA D 2 -22.517 3.940 9.509 1.00 67.06 C ATOM 1078 N9 DA D 2 -22.753 4.360 8.128 1.00 70.98 N ATOM 1079 C8 DA D 2 -23.512 3.799 7.124 1.00 73.17 C ATOM 1080 N7 DA D 2 -23.730 4.623 6.109 1.00 74.21 N ATOM 1081 C5 DA D 2 -23.011 5.764 6.448 1.00 73.42 C ATOM 1082 C6 DA D 2 -22.838 7.016 5.819 1.00 73.46 C ATOM 1083 N6 DA D 2 -23.408 7.358 4.657 1.00 73.40 N ATOM 1084 N1 DA D 2 -22.049 7.924 6.440 1.00 73.06 N ATOM 1085 C2 DA D 2 -21.481 7.600 7.603 1.00 72.90 C ATOM 1086 N3 DA D 2 -21.570 6.474 8.291 1.00 73.07 N ATOM 1087 C4 DA D 2 -22.359 5.591 7.659 1.00 72.85 C ATOM 1088 P DC D 3 -20.452 4.361 13.501 1.00 54.33 P ATOM 1089 OP1 DC D 3 -20.868 4.661 14.890 1.00 54.30 O ATOM 1090 OP2 DC D 3 -19.319 5.107 12.890 1.00 53.92 O ATOM 1091 O5' DC D 3 -20.083 2.826 13.430 1.00 51.39 O ATOM 1092 C5' DC D 3 -20.568 2.070 12.344 1.00 47.91 C ATOM 1093 C4' DC D 3 -20.466 0.601 12.641 1.00 44.94 C ATOM 1094 O4' DC D 3 -20.701 -0.046 11.374 1.00 45.82 O ATOM 1095 C3' DC D 3 -19.048 0.206 13.054 1.00 41.24 C ATOM 1096 O3' DC D 3 -19.073 -0.953 13.901 1.00 36.47 O ATOM 1097 C2' DC D 3 -18.362 -0.042 11.728 1.00 42.85 C ATOM 1098 C1' DC D 3 -19.486 -0.596 10.879 1.00 47.15 C ATOM 1099 N1 DC D 3 -19.371 -0.237 9.463 1.00 49.95 N ATOM 1100 C2 DC D 3 -19.888 -1.117 8.531 1.00 50.82 C ATOM 1101 O2 DC D 3 -20.429 -2.143 8.936 1.00 51.70 O ATOM 1102 N3 DC D 3 -19.788 -0.837 7.217 1.00 51.40 N ATOM 1103 C4 DC D 3 -19.191 0.289 6.824 1.00 51.82 C ATOM 1104 N4 DC D 3 -19.111 0.524 5.506 1.00 52.03 N ATOM 1105 C5 DC D 3 -18.650 1.223 7.761 1.00 52.25 C ATOM 1106 C6 DC D 3 -18.762 0.921 9.062 1.00 51.49 C ATOM 1107 P DA D 4 -17.705 -1.526 14.527 1.00 28.66 P ATOM 1108 OP1 DA D 4 -18.031 -2.143 15.831 1.00 25.51 O ATOM 1109 OP2 DA D 4 -16.688 -0.465 14.448 1.00 30.22 O ATOM 1110 O5' DA D 4 -17.270 -2.639 13.480 1.00 29.29 O ATOM 1111 C5' DA D 4 -18.183 -3.656 13.105 1.00 29.46 C ATOM 1112 C4' DA D 4 -17.471 -4.770 12.378 1.00 29.61 C ATOM 1113 O4' DA D 4 -17.350 -4.432 10.972 1.00 30.28 O ATOM 1114 C3' DA D 4 -16.034 -4.960 12.872 1.00 29.21 C ATOM 1115 O3' DA D 4 -15.662 -6.338 12.767 1.00 27.58 O ATOM 1116 C2' DA D 4 -15.238 -4.046 11.950 1.00 30.60 C ATOM 1117 C1' DA D 4 -15.988 -4.212 10.637 1.00 32.07 C ATOM 1118 N9 DA D 4 -15.913 -3.124 9.659 1.00 36.41 N ATOM 1119 C8 DA D 4 -15.746 -1.783 9.883 1.00 37.30 C ATOM 1120 N7 DA D 4 -15.696 -1.065 8.784 1.00 38.65 N ATOM 1121 C5 DA D 4 -15.845 -1.995 7.767 1.00 40.52 C ATOM 1122 C6 DA D 4 -15.882 -1.871 6.356 1.00 42.33 C ATOM 1123 N6 DA D 4 -15.759 -0.708 5.702 1.00 41.36 N ATOM 1124 N1 DA D 4 -16.049 -3.000 5.633 1.00 41.84 N ATOM 1125 C2 DA D 4 -16.168 -4.165 6.283 1.00 40.96 C ATOM 1126 N3 DA D 4 -16.151 -4.408 7.594 1.00 40.73 N ATOM 1127 C4 DA D 4 -15.983 -3.268 8.290 1.00 38.67 C ATOM 1128 P DT D 5 -14.287 -6.858 13.417 1.00 26.12 P ATOM 1129 OP1 DT D 5 -14.555 -8.073 14.206 1.00 23.80 O ATOM 1130 OP2 DT D 5 -13.584 -5.715 14.036 1.00 29.34 O ATOM 1131 O5' DT D 5 -13.442 -7.294 12.154 1.00 30.20 O ATOM 1132 C5' DT D 5 -13.763 -6.774 10.884 1.00 33.93 C ATOM 1133 C4' DT D 5 -12.962 -7.471 9.819 1.00 35.98 C ATOM 1134 O4' DT D 5 -13.010 -6.592 8.676 1.00 38.45 O ATOM 1135 C3' DT D 5 -11.482 -7.601 10.166 1.00 41.00 C ATOM 1136 O3' DT D 5 -10.938 -8.767 9.524 1.00 46.06 O ATOM 1137 C2' DT D 5 -10.903 -6.282 9.686 1.00 39.16 C ATOM 1138 C1' DT D 5 -11.757 -5.965 8.471 1.00 37.77 C ATOM 1139 N1 DT D 5 -12.006 -4.534 8.200 1.00 36.38 N ATOM 1140 C2 DT D 5 -12.221 -4.182 6.887 1.00 36.55 C ATOM 1141 O2 DT D 5 -12.239 -4.991 5.978 1.00 36.96 O ATOM 1142 N3 DT D 5 -12.419 -2.843 6.672 1.00 36.52 N ATOM 1143 C4 DT D 5 -12.434 -1.842 7.611 1.00 34.39 C ATOM 1144 O4 DT D 5 -12.622 -0.682 7.251 1.00 34.15 O ATOM 1145 C5 DT D 5 -12.216 -2.279 8.986 1.00 33.47 C ATOM 1146 C7 DT D 5 -12.230 -1.263 10.086 1.00 28.63 C ATOM 1147 C6 DT D 5 -12.014 -3.587 9.205 1.00 34.14 C ATOM 1148 P DG D 6 -9.347 -9.031 9.517 1.00 49.87 P ATOM 1149 OP1 DG D 6 -9.062 -10.361 10.112 1.00 51.49 O ATOM 1150 OP2 DG D 6 -8.657 -7.831 10.051 1.00 50.81 O ATOM 1151 O5' DG D 6 -9.048 -9.100 7.960 1.00 50.65 O ATOM 1152 C5' DG D 6 -9.729 -8.204 7.100 1.00 53.50 C ATOM 1153 C4' DG D 6 -9.204 -8.304 5.693 1.00 54.03 C ATOM 1154 O4' DG D 6 -9.605 -7.076 5.043 1.00 53.63 O ATOM 1155 C3' DG D 6 -7.681 -8.326 5.611 1.00 55.24 C ATOM 1156 O3' DG D 6 -7.265 -8.999 4.418 1.00 57.79 O ATOM 1157 C2' DG D 6 -7.320 -6.856 5.597 1.00 53.84 C ATOM 1158 C1' DG D 6 -8.481 -6.230 4.849 1.00 54.34 C ATOM 1159 N9 DG D 6 -8.836 -4.898 5.329 1.00 55.57 N ATOM 1160 C8 DG D 6 -8.895 -4.465 6.634 1.00 54.89 C ATOM 1161 N7 DG D 6 -9.221 -3.206 6.741 1.00 54.09 N ATOM 1162 C5 DG D 6 -9.392 -2.785 5.429 1.00 55.36 C ATOM 1163 C6 DG D 6 -9.744 -1.509 4.904 1.00 54.59 C ATOM 1164 O6 DG D 6 -9.985 -0.458 5.515 1.00 52.67 O ATOM 1165 N1 DG D 6 -9.803 -1.530 3.513 1.00 54.92 N ATOM 1166 C2 DG D 6 -9.555 -2.630 2.726 1.00 55.94 C ATOM 1167 N2 DG D 6 -9.660 -2.455 1.401 1.00 55.65 N ATOM 1168 N3 DG D 6 -9.227 -3.817 3.201 1.00 56.40 N ATOM 1169 C4 DG D 6 -9.163 -3.822 4.547 1.00 55.80 C ATOM 1170 P DT D 7 -5.701 -9.107 4.058 1.00 60.53 P ATOM 1171 OP1 DT D 7 -5.465 -10.496 3.585 1.00 60.48 O ATOM 1172 OP2 DT D 7 -4.886 -8.568 5.178 1.00 60.85 O ATOM 1173 O5' DT D 7 -5.566 -8.135 2.804 1.00 60.98 O ATOM 1174 C5' DT D 7 -6.498 -8.237 1.736 1.00 62.89 C ATOM 1175 C4' DT D 7 -6.202 -7.233 0.646 1.00 64.72 C ATOM 1176 O4' DT D 7 -6.543 -5.894 1.088 1.00 64.34 O ATOM 1177 C3' DT D 7 -4.721 -7.164 0.270 1.00 65.75 C ATOM 1178 O3' DT D 7 -4.632 -6.794 -1.113 1.00 68.58 O ATOM 1179 C2' DT D 7 -4.188 -6.090 1.208 1.00 65.33 C ATOM 1180 C1' DT D 7 -5.361 -5.118 1.243 1.00 64.73 C ATOM 1181 N1 DT D 7 -5.525 -4.209 2.410 1.00 64.71 N ATOM 1182 C2 DT D 7 -5.798 -2.879 2.136 1.00 64.34 C ATOM 1183 O2 DT D 7 -5.902 -2.439 1.005 1.00 64.76 O ATOM 1184 N3 DT D 7 -5.943 -2.077 3.241 1.00 63.41 N ATOM 1185 C4 DT D 7 -5.843 -2.455 4.561 1.00 62.75 C ATOM 1186 O4 DT D 7 -5.997 -1.620 5.445 1.00 59.56 O ATOM 1187 C5 DT D 7 -5.554 -3.859 4.783 1.00 63.61 C ATOM 1188 C7 DT D 7 -5.426 -4.354 6.190 1.00 63.28 C ATOM 1189 C6 DT D 7 -5.412 -4.657 3.710 1.00 64.00 C ATOM 1190 P DC D 8 -3.241 -6.931 -1.910 1.00 70.07 P ATOM 1191 OP1 DC D 8 -3.404 -7.962 -2.966 1.00 70.69 O ATOM 1192 OP2 DC D 8 -2.143 -7.059 -0.920 1.00 70.69 O ATOM 1193 O5' DC D 8 -3.131 -5.505 -2.605 1.00 69.38 O ATOM 1194 C5' DC D 8 -3.708 -4.388 -1.952 1.00 69.68 C ATOM 1195 C4' DC D 8 -3.649 -3.146 -2.807 1.00 70.23 C ATOM 1196 O4' DC D 8 -4.001 -2.066 -1.920 1.00 70.20 O ATOM 1197 C3' DC D 8 -2.286 -2.771 -3.375 1.00 70.28 C ATOM 1198 O3' DC D 8 -2.442 -1.941 -4.532 1.00 69.47 O ATOM 1199 C2' DC D 8 -1.655 -2.000 -2.237 1.00 71.24 C ATOM 1200 C1' DC D 8 -2.841 -1.335 -1.546 1.00 71.80 C ATOM 1201 N1 DC D 8 -2.722 -1.457 -0.086 1.00 72.99 N ATOM 1202 C2 DC D 8 -3.204 -0.437 0.720 1.00 73.17 C ATOM 1203 O2 DC D 8 -3.719 0.553 0.184 1.00 74.40 O ATOM 1204 N3 DC D 8 -3.096 -0.553 2.063 1.00 73.99 N ATOM 1205 C4 DC D 8 -2.529 -1.635 2.598 1.00 74.38 C ATOM 1206 N4 DC D 8 -2.440 -1.705 3.925 1.00 74.14 N ATOM 1207 C5 DC D 8 -2.027 -2.694 1.794 1.00 74.69 C ATOM 1208 C6 DC D 8 -2.144 -2.565 0.470 1.00 73.57 C ATOM 1209 P DA D 9 -1.145 -1.458 -5.347 1.00 69.91 P ATOM 1210 OP1 DA D 9 -1.466 -1.473 -6.796 1.00 70.18 O ATOM 1211 OP2 DA D 9 0.008 -2.254 -4.843 1.00 69.59 O ATOM 1212 O5' DA D 9 -0.937 0.058 -4.899 1.00 68.56 O ATOM 1213 C5' DA D 9 -1.916 0.744 -4.122 1.00 67.65 C ATOM 1214 C4' DA D 9 -1.400 2.106 -3.721 1.00 68.42 C ATOM 1215 O4' DA D 9 -1.319 2.180 -2.276 1.00 69.09 O ATOM 1216 C3' DA D 9 0.030 2.346 -4.207 1.00 69.09 C ATOM 1217 O3' DA D 9 0.259 3.747 -4.397 1.00 70.05 O ATOM 1218 C2' DA D 9 0.872 1.798 -3.070 1.00 68.96 C ATOM 1219 C1' DA D 9 0.045 2.194 -1.864 1.00 68.65 C ATOM 1220 N9 DA D 9 0.186 1.347 -0.680 1.00 68.18 N ATOM 1221 C8 DA D 9 0.305 -0.017 -0.590 1.00 68.70 C ATOM 1222 N7 DA D 9 0.420 -0.457 0.641 1.00 68.87 N ATOM 1223 C5 DA D 9 0.375 0.698 1.411 1.00 68.42 C ATOM 1224 C6 DA D 9 0.446 0.920 2.800 1.00 67.55 C ATOM 1225 N6 DA D 9 0.581 -0.051 3.705 1.00 65.47 N ATOM 1226 N1 DA D 9 0.371 2.198 3.234 1.00 67.60 N ATOM 1227 C2 DA D 9 0.235 3.175 2.332 1.00 68.56 C ATOM 1228 N3 DA D 9 0.156 3.094 1.008 1.00 68.53 N ATOM 1229 C4 DA D 9 0.233 1.814 0.608 1.00 68.25 C ATOM 1230 P DT D 10 1.718 4.269 -4.827 1.00 69.58 P ATOM 1231 OP1 DT D 10 1.549 5.180 -5.984 1.00 69.23 O ATOM 1232 OP2 DT D 10 2.619 3.093 -4.941 1.00 70.11 O ATOM 1233 O5' DT D 10 2.187 5.131 -3.575 1.00 70.13 O ATOM 1234 C5' DT D 10 1.351 6.161 -3.067 1.00 70.81 C ATOM 1235 C4' DT D 10 2.062 6.957 -1.999 1.00 70.76 C ATOM 1236 O4' DT D 10 2.126 6.179 -0.778 1.00 71.45 O ATOM 1237 C3' DT D 10 3.517 7.249 -2.367 1.00 71.04 C ATOM 1238 O3' DT D 10 3.924 8.485 -1.772 1.00 71.16 O ATOM 1239 C2' DT D 10 4.258 6.055 -1.791 1.00 70.93 C ATOM 1240 C1' DT D 10 3.473 5.808 -0.514 1.00 71.52 C ATOM 1241 N1 DT D 10 3.498 4.452 0.082 1.00 71.87 N ATOM 1242 C2 DT D 10 3.305 4.370 1.444 1.00 72.33 C ATOM 1243 O2 DT D 10 3.081 5.344 2.141 1.00 73.62 O ATOM 1244 N3 DT D 10 3.385 3.102 1.966 1.00 72.10 N ATOM 1245 C4 DT D 10 3.628 1.932 1.278 1.00 71.78 C ATOM 1246 O4 DT D 10 3.679 0.866 1.892 1.00 70.63 O ATOM 1247 C5 DT D 10 3.806 2.086 -0.157 1.00 71.73 C ATOM 1248 C7 DT D 10 4.071 0.873 -0.992 1.00 71.30 C ATOM 1249 C6 DT D 10 3.728 3.323 -0.674 1.00 72.03 C ATOM 1250 P DG D 11 5.421 9.034 -1.991 1.00 71.32 P ATOM 1251 OP1 DG D 11 5.314 10.454 -2.412 1.00 71.20 O ATOM 1252 OP2 DG D 11 6.178 8.074 -2.836 1.00 70.21 O ATOM 1253 O5' DG D 11 6.023 9.009 -0.517 1.00 72.70 O ATOM 1254 C5' DG D 11 5.343 9.683 0.541 1.00 74.83 C ATOM 1255 C4' DG D 11 6.111 9.573 1.839 1.00 76.45 C ATOM 1256 O4' DG D 11 5.998 8.231 2.373 1.00 76.86 O ATOM 1257 C3' DG D 11 7.610 9.796 1.644 1.00 76.86 C ATOM 1258 O3' DG D 11 8.168 10.314 2.855 1.00 78.18 O ATOM 1259 C2' DG D 11 8.124 8.396 1.359 1.00 76.76 C ATOM 1260 C1' DG D 11 7.260 7.585 2.304 1.00 77.30 C ATOM 1261 N9 DG D 11 7.059 6.167 2.023 1.00 77.97 N ATOM 1262 C8 DG D 11 6.963 5.547 0.801 1.00 78.43 C ATOM 1263 N7 DG D 11 6.816 4.250 0.896 1.00 78.78 N ATOM 1264 C5 DG D 11 6.807 4.002 2.263 1.00 78.31 C ATOM 1265 C6 DG D 11 6.679 2.777 2.987 1.00 77.93 C ATOM 1266 O6 DG D 11 6.544 1.631 2.550 1.00 78.33 O ATOM 1267 N1 DG D 11 6.724 2.988 4.361 1.00 77.59 N ATOM 1268 C2 DG D 11 6.869 4.210 4.967 1.00 77.15 C ATOM 1269 N2 DG D 11 6.890 4.205 6.305 1.00 76.39 N ATOM 1270 N3 DG D 11 6.987 5.353 4.311 1.00 77.36 N ATOM 1271 C4 DG D 11 6.949 5.176 2.972 1.00 78.09 C ATOM 1272 P DT D 12 9.729 10.688 2.924 1.00 79.06 P ATOM 1273 OP1 DT D 12 9.839 12.125 3.287 1.00 79.65 O ATOM 1274 OP2 DT D 12 10.383 10.193 1.686 1.00 79.12 O ATOM 1275 O5' DT D 12 10.265 9.828 4.156 1.00 78.56 O ATOM 1276 C5' DT D 12 10.009 8.426 4.236 1.00 77.88 C ATOM 1277 C4' DT D 12 9.535 8.052 5.622 1.00 77.13 C ATOM 1278 O4' DT D 12 9.192 6.648 5.623 1.00 76.54 O ATOM 1279 C3' DT D 12 10.585 8.208 6.717 1.00 76.66 C ATOM 1280 O3' DT D 12 9.945 8.200 7.992 1.00 77.20 O ATOM 1281 C2' DT D 12 11.305 6.877 6.658 1.00 77.08 C ATOM 1282 C1' DT D 12 10.182 5.901 6.319 1.00 76.42 C ATOM 1283 N1 DT D 12 10.627 4.819 5.427 1.00 76.49 N ATOM 1284 C2 DT D 12 11.091 3.648 5.982 1.00 76.19 C ATOM 1285 O2 DT D 12 11.125 3.448 7.185 1.00 75.93 O ATOM 1286 N3 DT D 12 11.519 2.715 5.070 1.00 75.78 N ATOM 1287 C4 DT D 12 11.524 2.836 3.691 1.00 76.19 C ATOM 1288 O4 DT D 12 11.948 1.921 2.996 1.00 75.76 O ATOM 1289 C5 DT D 12 11.010 4.085 3.181 1.00 76.55 C ATOM 1290 C7 DT D 12 10.972 4.305 1.702 1.00 75.83 C ATOM 1291 C6 DT D 12 10.589 4.998 4.062 1.00 76.75 C TER 1292 DT D 12 HETATM 1293 O HOH A 3 -13.718 4.352 20.969 1.00 26.79 O HETATM 1294 O HOH A 4 7.490 12.076 22.427 1.00 25.67 O HETATM 1295 O HOH A 5 2.422 -0.063 27.927 1.00 47.33 O HETATM 1296 O HOH A 60 -6.844 -4.927 9.441 1.00 28.32 O HETATM 1297 O HOH A 61 -8.560 -5.430 12.621 1.00 30.87 O HETATM 1298 O HOH A 62 -11.145 -4.860 12.188 1.00 37.06 O HETATM 1299 O HOH A 63 -10.163 12.680 17.112 1.00 24.93 O HETATM 1300 O HOH A 64 -7.247 18.194 21.023 1.00 32.58 O HETATM 1301 O HOH A 65 16.101 -7.390 21.750 1.00 42.58 O HETATM 1302 O HOH A 66 12.822 -10.656 10.086 1.00 43.29 O HETATM 1303 O HOH A 67 8.465 -7.442 14.375 1.00 41.83 O HETATM 1304 O HOH A 68 3.340 -8.823 29.391 1.00 54.25 O HETATM 1305 O HOH B 1 -4.188 5.425 12.681 1.00 35.82 O HETATM 1306 O HOH B 2 -14.159 -1.237 13.244 1.00 28.13 O HETATM 1307 O HOH B 60 1.727 -5.325 19.636 1.00 21.87 O HETATM 1308 O HOH B 61 -15.972 12.447 14.085 1.00 35.56 O HETATM 1309 O HOH B 62 -18.979 -13.032 23.674 1.00 35.91 O HETATM 1310 O HOH B 63 -9.927 -11.972 28.705 1.00 48.30 O HETATM 1311 O HOH B 64 -1.800 -14.221 23.465 1.00 48.16 O HETATM 1312 O HOH B 65 -6.750 -15.597 19.544 1.00 32.24 O HETATM 1313 O HOH B 66 -18.459 -10.526 14.858 1.00 37.14 O HETATM 1314 O HOH B 67 -6.673 5.483 9.541 1.00 42.97 O HETATM 1315 O HOH B 68 -7.248 -11.713 26.461 1.00 31.99 O HETATM 1316 O HOH B 69 -4.324 -14.718 23.878 1.00 37.65 O HETATM 1317 O HOH B 70 -5.201 -14.535 26.453 1.00 43.15 O HETATM 1318 O HOH B 71 -12.821 -17.969 23.687 1.00 39.29 O HETATM 1319 O HOH C 12 -3.277 8.052 12.872 1.00 38.55 O HETATM 1320 O HOH C 16 1.704 0.682 12.894 1.00 39.22 O HETATM 1321 O HOH C 23 -16.084 -7.597 -4.675 1.00 50.09 O HETATM 1322 O HOH C 27 4.410 -6.072 9.790 1.00 35.70 O HETATM 1323 O HOH C 28 -1.712 10.002 12.887 1.00 39.24 O HETATM 1324 O HOH C 30 -10.589 3.529 7.049 1.00 52.18 O HETATM 1325 O HOH D 13 -22.283 0.128 16.261 1.00 33.96 O HETATM 1326 O HOH D 22 -13.076 -10.697 13.394 1.00 42.12 O HETATM 1327 O HOH D 36 -16.943 -9.140 13.876 1.00 39.62 O HETATM 1328 O HOH D 37 -17.217 -6.864 8.568 1.00 33.82 O MASTER 275 0 0 5 2 0 0 6 1324 4 0 12 END
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Related entries of code: 3gxq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3gxq
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Putative regulator of transfer genes ArtA
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
Kd=127nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Nucleic Acids Res. Vol. 37: pp. 6970-6983
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A0H2XIU6
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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