Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 08-AUG-14 4R22 TITLE TNRA-DNA COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR TNRA; COMPND 3 CHAIN: B; COMPND 4 FRAGMENT: TNRA; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'- COMPND 9 D(*CP*GP*TP*GP*TP*AP*AP*GP*GP*AP*AP*TP*TP*CP*TP*GP*AP*CP*AP*CP*G)- COMPND 10 3'); COMPND 11 CHAIN: G; COMPND 12 ENGINEERED: YES; COMPND 13 OTHER_DETAILS: 21-MER COGNATE DNA SITE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; SOURCE 3 ORGANISM_TAXID: 1006007; SOURCE 4 STRAIN: WSH-002; SOURCE 5 GENE: TNRA, BMWSH_3277; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: SYNTHETIC DNA; SOURCE 11 ORGANISM_TAXID: 32630 KEYWDS NEW FAMILY OF TRANSCRIPTION REGULATORS, TRANSCRIPTION, GS, KEYWDS 2 TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.A.SCHUMACHER REVDAT 1 04-MAR-15 4R22 0 JRNL AUTH M.A.SCHUMACHER,N.B.CHINNAM,B.CUTHBERT,N.K.TONTHAT,T.WHITFILL JRNL TITL STRUCTURES OF REGULATORY MACHINERY REVEAL NOVEL MOLECULAR JRNL TITL 2 MECHANISMS CONTROLLING B. SUBTILIS NITROGEN HOMEOSTASIS. JRNL REF GENES DEV. V. 29 451 2015 JRNL REFN ISSN 0890-9369 JRNL PMID 25691471 JRNL DOI 10.1101/GAD.254714.114 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 54.60 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 86.4 REMARK 3 NUMBER OF REFLECTIONS : 3759 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.261 REMARK 3 FREE R VALUE : 0.279 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 16.600 REMARK 3 FREE R VALUE TEST SET COUNT : 722 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 679 REMARK 3 NUCLEIC ACID ATOMS : 431 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 59.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.12400 REMARK 3 B22 (A**2) : -15.77000 REMARK 3 B33 (A**2) : 14.64600 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.015 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 4.568 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 6.103 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 5.569 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 6.385 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 62.93 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS_TOPPAR:DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : CNS_TOPPAR:ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : CNS_TOPPAR:DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : CNS_TOPPAR:WATER.TOP REMARK 3 TOPOLOGY FILE 4 : CNS_TOPPAR:ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4R22 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-AUG-14. REMARK 100 THE RCSB ID CODE IS RCSB086800. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-MAY-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 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) : 1.0 REMARK 200 MONOCHROMATOR : SI 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 : 3759 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 54.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : 0.07000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 22.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.11 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 1500, 0.1M MMT BUFFER, PH 6.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X+1/2,Y+1/2,-Z REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 33.22000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 23.19500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 33.22000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 23.19500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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: 6010 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14950 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, G REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 46.39000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O3' DG G 7 C5' DG G 8 2.15 REMARK 500 O3' DC G 19 C5' DG G 20 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 N4 DC G 0 N2 DG G 20 2565 0.14 REMARK 500 N4 DC G 0 C2 DG G 20 2565 1.42 REMARK 500 C4 DC G 0 N2 DG G 20 2565 1.44 REMARK 500 O VAL B 13 CD1 ILE B 18 2565 1.75 REMARK 500 N1 DA G 10 N1 DA G 10 2565 1.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DG G 7 O3' DG G 7 C3' -0.050 REMARK 500 DG G 8 P DG G 8 OP2 0.112 REMARK 500 DG G 8 O3' DG G 8 C3' 0.140 REMARK 500 DG G 8 O3' DA G 9 P 0.119 REMARK 500 DC G 19 C3' DC G 19 C2' -0.058 REMARK 500 DC G 19 O3' DC G 19 C3' -0.160 REMARK 500 DG G 20 P DG G 20 O5' -0.115 REMARK 500 DG G 20 O3' DG G 20 C3' -0.054 REMARK 500 DC G 19 O3' DG G 20 P -0.180 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC G 0 N3 - C4 - C5 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG G 8 O3' - P - O5' ANGL. DEV. = -19.8 DEGREES REMARK 500 DG G 8 O3' - P - OP2 ANGL. DEV. = 18.9 DEGREES REMARK 500 DA G 9 O5' - P - OP1 ANGL. DEV. = -6.7 DEGREES REMARK 500 DA G 9 O3' - P - O5' ANGL. DEV. = 12.4 DEGREES REMARK 500 DC G 19 C2' - C3' - O3' ANGL. DEV. = -25.9 DEGREES REMARK 500 DG G 20 O5' - P - OP2 ANGL. DEV. = 8.9 DEGREES REMARK 500 DG G 20 O5' - C5' - C4' ANGL. DEV. = -6.0 DEGREES REMARK 500 DG G 20 C5' - C4' - C3' ANGL. DEV. = -21.3 DEGREES REMARK 500 DG G 20 C4' - C3' - C2' ANGL. DEV. = -4.6 DEGREES REMARK 500 DG G 20 N1 - C2 - N3 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG G 20 O3' - P - O5' ANGL. DEV. = -15.7 DEGREES REMARK 500 DG G 20 O3' - P - OP2 ANGL. DEV. = -29.7 DEGREES REMARK 500 DG G 20 O3' - P - OP1 ANGL. DEV. = 28.9 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 VAL B 13 -13.57 -142.45 REMARK 500 GLU B 68 25.76 -74.12 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 DG G 3 0.05 SIDE CHAIN REMARK 500 DC G 13 0.06 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4R24 RELATED DB: PDB REMARK 900 TNRA-21MER, CRYSTAL FORM C2221 REMARK 900 RELATED ID: 4R25 RELATED DB: PDB REMARK 900 STRUCTURE OF B. SUBTILIS GLNK DBREF 4R22 B 7 88 UNP G2RUZ1 G2RUZ1_BACME 7 88 DBREF 4R22 G 0 20 PDB 4R22 4R22 0 20 SEQRES 1 B 82 SER TYR ARG ASP LYS LYS VAL MET SER ILE GLY ILE VAL SEQRES 2 B 82 LYS GLU LEU THR GLY LEU SER GLU ARG GLN ILE ARG TYR SEQRES 3 B 82 TYR GLU LYS ARG SER LEU LEU PHE PRO ASP ARG THR ASN SEQRES 4 B 82 THR GLY ILE ARG LYS TYR SER PHE SER ASP VAL GLU ARG SEQRES 5 B 82 LEU MET ASP ILE ALA ASP ARG ILE GLU GLU GLY VAL GLN SEQRES 6 B 82 THR SER GLU ILE ARG THR GLU LEU ALA LYS LYS ASP GLU SEQRES 7 B 82 ALA ARG LYS MET SEQRES 1 G 21 DC DG DT DG DT DA DA DG DG DA DA DT DT SEQRES 2 G 21 DC DT DG DA DC DA DC DG HELIX 1 1 SER B 7 ASP B 10 5 4 HELIX 2 2 SER B 15 GLY B 24 1 10 HELIX 3 3 SER B 26 ARG B 36 1 11 HELIX 4 4 PHE B 53 GLU B 68 1 16 HELIX 5 5 GLN B 71 LYS B 87 1 17 SHEET 1 A 3 LYS B 12 MET B 14 0 SHEET 2 A 3 ARG B 49 SER B 52 -1 O TYR B 51 N MET B 14 SHEET 3 A 3 ASP B 42 ARG B 43 -1 N ASP B 42 O LYS B 50 CRYST1 66.440 46.390 42.460 90.00 90.00 90.00 P 21 21 2 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 0.015051 0.000000 0.000000 0.00000 SCALE2 0.000000 0.021556 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023552 0.00000 ATOM 1 N SER B 7 3.948 25.863 2.301 1.00 79.09 N ATOM 2 CA SER B 7 5.095 25.751 3.260 1.00 79.48 C ATOM 3 C SER B 7 4.621 25.356 4.664 1.00 79.26 C ATOM 4 O SER B 7 5.431 25.212 5.581 1.00 78.25 O ATOM 5 CB SER B 7 5.828 27.086 3.351 1.00 78.55 C ATOM 6 OG SER B 7 4.959 28.076 3.876 1.00 81.94 O ATOM 7 N TYR B 8 3.308 25.204 4.818 1.00 73.93 N ATOM 8 CA TYR B 8 2.689 24.830 6.083 1.00 68.14 C ATOM 9 C TYR B 8 3.120 23.452 6.523 1.00 67.94 C ATOM 10 O TYR B 8 3.240 23.173 7.710 1.00 74.84 O ATOM 11 CB TYR B 8 1.176 24.802 5.930 1.00 66.68 C ATOM 12 CG TYR B 8 0.585 26.102 5.473 1.00 67.43 C ATOM 13 CD1 TYR B 8 -0.495 26.123 4.589 1.00 66.16 C ATOM 14 CD2 TYR B 8 1.096 27.317 5.920 1.00 64.13 C ATOM 15 CE1 TYR B 8 -1.045 27.318 4.158 1.00 62.34 C ATOM 16 CE2 TYR B 8 0.550 28.516 5.498 1.00 64.63 C ATOM 17 CZ TYR B 8 -0.516 28.508 4.616 1.00 65.62 C ATOM 18 OH TYR B 8 -1.045 29.693 4.182 1.00 67.31 O ATOM 19 N ARG B 9 3.328 22.584 5.545 1.00 67.59 N ATOM 20 CA ARG B 9 3.704 21.201 5.795 1.00 68.36 C ATOM 21 C ARG B 9 4.881 20.956 6.719 1.00 66.52 C ATOM 22 O ARG B 9 4.928 19.935 7.403 1.00 64.44 O ATOM 23 CB ARG B 9 3.996 20.499 4.469 1.00 68.98 C ATOM 24 CG ARG B 9 4.365 19.034 4.619 1.00 65.15 C ATOM 25 CD ARG B 9 5.812 18.766 4.286 1.00 72.13 C ATOM 26 NE ARG B 9 6.187 17.360 4.485 1.00 71.86 N ATOM 27 CZ ARG B 9 5.522 16.336 3.966 1.00 65.91 C ATOM 28 NH1 ARG B 9 4.456 16.556 3.211 1.00 70.44 N ATOM 29 NH2 ARG B 9 5.901 15.098 4.228 1.00 63.12 N ATOM 30 N ASP B 10 5.823 21.886 6.751 1.00 61.19 N ATOM 31 CA ASP B 10 7.017 21.682 7.543 1.00 59.41 C ATOM 32 C ASP B 10 7.198 22.600 8.737 1.00 62.08 C ATOM 33 O ASP B 10 8.126 22.425 9.524 1.00 64.36 O ATOM 34 CB ASP B 10 8.215 21.768 6.601 1.00 64.33 C ATOM 35 CG ASP B 10 8.065 20.848 5.398 1.00 63.44 C ATOM 36 OD1 ASP B 10 8.158 19.614 5.579 1.00 63.43 O ATOM 37 OD2 ASP B 10 7.834 21.353 4.279 1.00 64.86 O ATOM 38 N LYS B 11 6.308 23.577 8.862 1.00 62.95 N ATOM 39 CA LYS B 11 6.332 24.534 9.961 1.00 58.66 C ATOM 40 C LYS B 11 6.022 23.772 11.272 1.00 57.41 C ATOM 41 O LYS B 11 4.998 23.085 11.359 1.00 54.73 O ATOM 42 CB LYS B 11 5.270 25.611 9.688 1.00 62.78 C ATOM 43 CG LYS B 11 5.538 26.983 10.313 1.00 67.22 C ATOM 44 CD LYS B 11 6.728 27.678 9.658 1.00 68.90 C ATOM 45 CE LYS B 11 7.088 28.982 10.361 1.00 72.19 C ATOM 46 NZ LYS B 11 8.200 29.733 9.680 1.00 76.41 N ATOM 47 N LYS B 12 6.920 23.872 12.262 1.00 52.49 N ATOM 48 CA LYS B 12 6.762 23.211 13.577 1.00 56.00 C ATOM 49 C LYS B 12 5.797 24.050 14.405 1.00 51.93 C ATOM 50 O LYS B 12 6.139 25.144 14.848 1.00 46.11 O ATOM 51 CB LYS B 12 8.082 23.160 14.357 1.00 51.95 C ATOM 52 CG LYS B 12 9.319 22.682 13.604 1.00 54.64 C ATOM 53 CD LYS B 12 9.349 21.166 13.392 1.00 54.74 C ATOM 54 CE LYS B 12 10.721 20.707 12.904 1.00 39.99 C ATOM 55 NZ LYS B 12 10.727 19.271 12.527 1.00 42.27 N ATOM 56 N VAL B 13 4.602 23.550 14.656 1.00 53.45 N ATOM 57 CA VAL B 13 3.676 24.375 15.398 1.00 48.17 C ATOM 58 C VAL B 13 2.801 23.635 16.387 1.00 46.29 C ATOM 59 O VAL B 13 2.209 24.229 17.220 1.00 45.79 O ATOM 60 CB VAL B 13 2.785 25.149 14.419 1.00 47.08 C ATOM 61 CG1 VAL B 13 3.541 26.344 13.851 1.00 46.59 C ATOM 62 CG2 VAL B 13 2.353 24.229 13.297 1.00 46.95 C ATOM 63 N MET B 14 2.741 22.320 16.312 1.00 46.86 N ATOM 64 CA MET B 14 1.869 21.594 17.212 1.00 51.38 C ATOM 65 C MET B 14 2.527 20.741 18.292 1.00 49.70 C ATOM 66 O MET B 14 3.353 19.884 18.003 1.00 50.87 O ATOM 67 CB MET B 14 0.890 20.754 16.388 1.00 46.19 C ATOM 68 CG MET B 14 1.541 19.754 15.493 1.00 51.79 C ATOM 69 SD MET B 14 0.382 19.151 14.241 1.00 65.07 S ATOM 70 CE MET B 14 0.695 20.337 12.935 1.00 56.83 C ATOM 71 N SER B 15 2.126 20.986 19.542 1.00 45.59 N ATOM 72 CA SER B 15 2.669 20.270 20.679 1.00 44.04 C ATOM 73 C SER B 15 2.388 18.776 20.610 1.00 46.70 C ATOM 74 O SER B 15 1.608 18.319 19.784 1.00 42.97 O ATOM 75 CB SER B 15 2.177 20.882 22.010 1.00 47.68 C ATOM 76 OG SER B 15 0.770 20.950 22.129 1.00 56.29 O ATOM 77 N ILE B 16 3.037 18.011 21.478 1.00 49.08 N ATOM 78 CA ILE B 16 2.891 16.564 21.452 1.00 43.30 C ATOM 79 C ILE B 16 1.472 16.015 21.571 1.00 43.57 C ATOM 80 O ILE B 16 1.160 14.978 20.998 1.00 43.89 O ATOM 81 CB ILE B 16 3.754 15.917 22.542 1.00 51.76 C ATOM 82 CG1 ILE B 16 4.084 14.480 22.144 1.00 48.75 C ATOM 83 CG2 ILE B 16 2.992 15.899 23.866 1.00 43.61 C ATOM 84 CD1 ILE B 16 5.229 13.853 22.922 1.00 54.88 C ATOM 85 N GLY B 17 0.619 16.695 22.328 1.00 50.35 N ATOM 86 CA GLY B 17 -0.745 16.228 22.491 1.00 46.31 C ATOM 87 C GLY B 17 -1.462 16.089 21.161 1.00 42.51 C ATOM 88 O GLY B 17 -2.099 15.074 20.906 1.00 41.49 O ATOM 89 N ILE B 18 -1.370 17.112 20.317 1.00 41.40 N ATOM 90 CA ILE B 18 -2.005 17.077 19.005 1.00 40.89 C ATOM 91 C ILE B 18 -1.440 15.924 18.176 1.00 51.46 C ATOM 92 O ILE B 18 -2.192 15.195 17.534 1.00 56.13 O ATOM 93 CB ILE B 18 -1.779 18.381 18.177 1.00 48.82 C ATOM 94 CG1 ILE B 18 -2.355 19.615 18.893 1.00 52.88 C ATOM 95 CG2 ILE B 18 -2.461 18.229 16.829 1.00 46.58 C ATOM 96 CD1 ILE B 18 -1.841 20.917 18.392 1.00 58.33 C ATOM 97 N VAL B 19 -0.120 15.755 18.182 1.00 48.17 N ATOM 98 CA VAL B 19 0.513 14.689 17.412 1.00 47.89 C ATOM 99 C VAL B 19 -0.014 13.329 17.857 1.00 50.05 C ATOM 100 O VAL B 19 -0.295 12.456 17.037 1.00 49.11 O ATOM 101 CB VAL B 19 2.039 14.746 17.581 1.00 47.32 C ATOM 102 CG1 VAL B 19 2.695 13.652 16.769 1.00 44.65 C ATOM 103 CG2 VAL B 19 2.551 16.126 17.165 1.00 37.48 C ATOM 104 N LYS B 20 -0.140 13.162 19.168 1.00 52.31 N ATOM 105 CA LYS B 20 -0.654 11.933 19.744 1.00 54.26 C ATOM 106 C LYS B 20 -2.004 11.599 19.096 1.00 56.79 C ATOM 107 O LYS B 20 -2.241 10.465 18.709 1.00 61.46 O ATOM 108 CB LYS B 20 -0.795 12.106 21.262 1.00 59.26 C ATOM 109 CG LYS B 20 -1.430 10.928 21.983 1.00 64.59 C ATOM 110 CD LYS B 20 -1.331 11.055 23.504 1.00 65.51 C ATOM 111 CE LYS B 20 -2.328 12.061 24.055 1.00 67.56 C ATOM 112 NZ LYS B 20 -2.304 12.131 25.548 1.00 61.24 N ATOM 113 N GLU B 21 -2.877 12.590 18.951 1.00 58.50 N ATOM 114 CA GLU B 21 -4.186 12.371 18.335 1.00 61.09 C ATOM 115 C GLU B 21 -4.126 12.095 16.834 1.00 64.06 C ATOM 116 O GLU B 21 -4.736 11.140 16.345 1.00 68.74 O ATOM 117 CB GLU B 21 -5.100 13.573 18.553 1.00 63.90 C ATOM 118 CG GLU B 21 -6.412 13.445 17.796 1.00 69.54 C ATOM 119 CD GLU B 21 -7.370 14.599 18.053 1.00 75.05 C ATOM 120 OE1 GLU B 21 -7.041 15.744 17.667 1.00 74.68 O ATOM 121 OE2 GLU B 21 -8.453 14.354 18.643 1.00 79.25 O ATOM 122 N LEU B 22 -3.405 12.941 16.106 1.00 57.54 N ATOM 123 CA LEU B 22 -3.273 12.794 14.660 1.00 56.51 C ATOM 124 C LEU B 22 -2.638 11.479 14.249 1.00 53.48 C ATOM 125 O LEU B 22 -2.935 10.954 13.185 1.00 59.05 O ATOM 126 CB LEU B 22 -2.432 13.939 14.082 1.00 52.88 C ATOM 127 CG LEU B 22 -3.157 15.096 13.384 1.00 52.40 C ATOM 128 CD1 LEU B 22 -4.210 15.651 14.293 1.00 55.47 C ATOM 129 CD2 LEU B 22 -2.174 16.195 12.994 1.00 52.06 C ATOM 130 N THR B 23 -1.780 10.937 15.101 1.00 51.39 N ATOM 131 CA THR B 23 -1.062 9.715 14.767 1.00 53.14 C ATOM 132 C THR B 23 -1.548 8.487 15.500 1.00 56.22 C ATOM 133 O THR B 23 -1.215 7.359 15.137 1.00 52.54 O ATOM 134 CB THR B 23 0.445 9.888 15.063 1.00 55.26 C ATOM 135 OG1 THR B 23 0.634 10.124 16.468 1.00 56.17 O ATOM 136 CG2 THR B 23 1.001 11.079 14.286 1.00 47.40 C ATOM 137 N GLY B 24 -2.338 8.705 16.540 1.00 58.99 N ATOM 138 CA GLY B 24 -2.814 7.584 17.316 1.00 49.21 C ATOM 139 C GLY B 24 -1.654 6.921 18.031 1.00 44.66 C ATOM 140 O GLY B 24 -1.738 5.751 18.364 1.00 49.62 O ATOM 141 N LEU B 25 -0.563 7.643 18.262 1.00 45.99 N ATOM 142 CA LEU B 25 0.582 7.049 18.961 1.00 53.57 C ATOM 143 C LEU B 25 0.692 7.598 20.380 1.00 46.23 C ATOM 144 O LEU B 25 0.226 8.693 20.653 1.00 44.72 O ATOM 145 CB LEU B 25 1.893 7.333 18.211 1.00 54.62 C ATOM 146 CG LEU B 25 2.120 6.677 16.849 1.00 47.42 C ATOM 147 CD1 LEU B 25 3.448 7.167 16.250 1.00 48.29 C ATOM 148 CD2 LEU B 25 2.134 5.175 17.013 1.00 44.99 C ATOM 149 N SER B 26 1.301 6.842 21.287 1.00 48.29 N ATOM 150 CA SER B 26 1.461 7.326 22.656 1.00 46.07 C ATOM 151 C SER B 26 2.629 8.307 22.731 1.00 50.91 C ATOM 152 O SER B 26 3.532 8.303 21.889 1.00 48.81 O ATOM 153 CB SER B 26 1.713 6.170 23.617 1.00 46.58 C ATOM 154 OG SER B 26 2.895 5.467 23.279 1.00 50.20 O ATOM 155 N GLU B 27 2.610 9.155 23.749 1.00 53.61 N ATOM 156 CA GLU B 27 3.662 10.140 23.924 1.00 51.75 C ATOM 157 C GLU B 27 4.979 9.408 24.168 1.00 48.75 C ATOM 158 O GLU B 27 6.057 9.882 23.813 1.00 45.20 O ATOM 159 CB GLU B 27 3.311 11.057 25.096 1.00 54.14 C ATOM 160 CG GLU B 27 1.921 11.667 24.978 1.00 61.43 C ATOM 161 CD GLU B 27 1.609 12.641 26.100 1.00 65.02 C ATOM 162 OE1 GLU B 27 2.228 13.725 26.138 1.00 62.15 O ATOM 163 OE2 GLU B 27 0.744 12.320 26.947 1.00 72.78 O ATOM 164 N ARG B 28 4.876 8.229 24.760 1.00 43.19 N ATOM 165 CA ARG B 28 6.047 7.419 25.025 1.00 49.81 C ATOM 166 C ARG B 28 6.705 7.024 23.683 1.00 50.29 C ATOM 167 O ARG B 28 7.918 7.165 23.500 1.00 41.26 O ATOM 168 CB ARG B 28 5.620 6.181 25.808 1.00 44.23 C ATOM 169 CG ARG B 28 6.749 5.360 26.390 1.00 49.61 C ATOM 170 CD ARG B 28 7.470 6.091 27.498 1.00 50.76 C ATOM 171 NE ARG B 28 8.313 5.187 28.281 1.00 50.62 N ATOM 172 CZ ARG B 28 9.631 5.086 28.156 1.00 50.12 C ATOM 173 NH1 ARG B 28 10.277 5.838 27.279 1.00 55.79 N ATOM 174 NH2 ARG B 28 10.301 4.220 28.899 1.00 53.72 N ATOM 175 N GLN B 29 5.896 6.555 22.740 1.00 48.01 N ATOM 176 CA GLN B 29 6.418 6.144 21.444 1.00 46.19 C ATOM 177 C GLN B 29 7.007 7.276 20.643 1.00 45.16 C ATOM 178 O GLN B 29 8.077 7.146 20.043 1.00 46.23 O ATOM 179 CB GLN B 29 5.326 5.502 20.627 1.00 45.58 C ATOM 180 CG GLN B 29 4.779 4.294 21.289 1.00 54.64 C ATOM 181 CD GLN B 29 3.730 3.654 20.451 1.00 51.48 C ATOM 182 OE1 GLN B 29 2.869 4.337 19.893 1.00 49.57 O ATOM 183 NE2 GLN B 29 3.780 2.337 20.351 1.00 50.17 N ATOM 184 N ILE B 30 6.281 8.383 20.622 1.00 43.76 N ATOM 185 CA ILE B 30 6.691 9.565 19.892 1.00 45.99 C ATOM 186 C ILE B 30 8.023 10.133 20.410 1.00 47.29 C ATOM 187 O ILE B 30 8.960 10.363 19.623 1.00 42.98 O ATOM 188 CB ILE B 30 5.574 10.629 19.960 1.00 41.64 C ATOM 189 CG1 ILE B 30 4.408 10.205 19.049 1.00 49.41 C ATOM 190 CG2 ILE B 30 6.123 11.983 19.594 1.00 40.45 C ATOM 191 CD1 ILE B 30 3.115 10.989 19.257 1.00 57.21 C ATOM 192 N ARG B 31 8.111 10.349 21.722 1.00 39.37 N ATOM 193 CA ARG B 31 9.335 10.886 22.319 1.00 38.33 C ATOM 194 C ARG B 31 10.499 9.906 22.168 1.00 43.58 C ATOM 195 O ARG B 31 11.667 10.312 22.153 1.00 39.51 O ATOM 196 CB ARG B 31 9.135 11.217 23.814 1.00 37.85 C ATOM 197 CG ARG B 31 8.232 12.436 24.098 1.00 50.40 C ATOM 198 CD ARG B 31 8.438 13.042 25.517 1.00 45.51 C ATOM 199 NE ARG B 31 7.648 12.371 26.546 1.00 50.30 N ATOM 200 CZ ARG B 31 6.480 12.805 27.014 1.00 48.68 C ATOM 201 NH1 ARG B 31 5.942 13.931 26.562 1.00 38.59 N ATOM 202 NH2 ARG B 31 5.837 12.094 27.935 1.00 54.88 N ATOM 203 N TYR B 32 10.188 8.618 22.047 1.00 35.80 N ATOM 204 CA TYR B 32 11.234 7.619 21.913 1.00 36.84 C ATOM 205 C TYR B 32 11.851 7.607 20.525 1.00 45.05 C ATOM 206 O TYR B 32 13.077 7.524 20.389 1.00 35.66 O ATOM 207 CB TYR B 32 10.691 6.243 22.214 1.00 40.35 C ATOM 208 CG TYR B 32 11.721 5.152 22.091 1.00 42.94 C ATOM 209 CD1 TYR B 32 11.593 4.164 21.114 1.00 48.76 C ATOM 210 CD2 TYR B 32 12.757 5.040 23.008 1.00 36.92 C ATOM 211 CE1 TYR B 32 12.453 3.084 21.066 1.00 46.39 C ATOM 212 CE2 TYR B 32 13.627 3.959 22.971 1.00 44.73 C ATOM 213 CZ TYR B 32 13.461 2.976 22.001 1.00 45.74 C ATOM 214 OH TYR B 32 14.232 1.832 22.017 1.00 48.52 O ATOM 215 N TYR B 33 10.989 7.663 19.505 1.00 42.23 N ATOM 216 CA TYR B 33 11.439 7.680 18.125 1.00 39.34 C ATOM 217 C TYR B 33 12.364 8.868 17.998 1.00 39.90 C ATOM 218 O TYR B 33 13.375 8.792 17.316 1.00 38.98 O ATOM 219 CB TYR B 33 10.267 7.827 17.140 1.00 41.85 C ATOM 220 CG TYR B 33 9.255 6.699 17.194 1.00 42.56 C ATOM 221 CD1 TYR B 33 9.656 5.414 17.500 1.00 48.33 C ATOM 222 CD2 TYR B 33 7.896 6.928 16.993 1.00 39.41 C ATOM 223 CE1 TYR B 33 8.747 4.379 17.624 1.00 52.18 C ATOM 224 CE2 TYR B 33 6.964 5.888 17.111 1.00 40.69 C ATOM 225 CZ TYR B 33 7.404 4.609 17.437 1.00 52.34 C ATOM 226 OH TYR B 33 6.536 3.548 17.643 1.00 53.29 O ATOM 227 N GLU B 34 12.038 9.974 18.654 1.00 36.39 N ATOM 228 CA GLU B 34 12.935 11.113 18.552 1.00 41.83 C ATOM 229 C GLU B 34 14.241 10.797 19.258 1.00 49.33 C ATOM 230 O GLU B 34 15.299 11.230 18.822 1.00 55.12 O ATOM 231 CB GLU B 34 12.335 12.365 19.169 1.00 48.10 C ATOM 232 CG GLU B 34 13.327 13.527 19.313 1.00 45.32 C ATOM 233 CD GLU B 34 12.724 14.697 20.086 1.00 47.45 C ATOM 234 OE1 GLU B 34 13.348 15.773 20.144 1.00 43.40 O ATOM 235 OE2 GLU B 34 11.608 14.534 20.644 1.00 53.00 O ATOM 236 N LYS B 35 14.175 10.033 20.343 1.00 47.01 N ATOM 237 CA LYS B 35 15.389 9.705 21.079 1.00 52.15 C ATOM 238 C LYS B 35 16.300 8.808 20.254 1.00 50.17 C ATOM 239 O LYS B 35 17.498 8.698 20.517 1.00 43.95 O ATOM 240 CB LYS B 35 15.035 9.002 22.377 1.00 51.64 C ATOM 241 CG LYS B 35 16.151 8.986 23.363 1.00 42.32 C ATOM 242 CD LYS B 35 15.723 8.220 24.572 1.00 53.86 C ATOM 243 CE LYS B 35 16.606 8.545 25.761 1.00 59.64 C ATOM 244 NZ LYS B 35 16.537 9.998 26.146 1.00 56.06 N ATOM 245 N ARG B 36 15.694 8.172 19.256 1.00 51.86 N ATOM 246 CA ARG B 36 16.364 7.265 18.338 1.00 42.25 C ATOM 247 C ARG B 36 16.774 8.008 17.062 1.00 44.82 C ATOM 248 O ARG B 36 17.217 7.396 16.085 1.00 35.62 O ATOM 249 CB ARG B 36 15.411 6.119 18.013 1.00 43.92 C ATOM 250 CG ARG B 36 14.989 5.339 19.248 1.00 48.91 C ATOM 251 CD ARG B 36 16.185 4.638 19.845 1.00 48.21 C ATOM 252 NE ARG B 36 16.647 3.600 18.933 1.00 57.90 N ATOM 253 CZ ARG B 36 17.833 3.006 18.989 1.00 52.39 C ATOM 254 NH1 ARG B 36 18.710 3.347 19.925 1.00 50.27 N ATOM 255 NH2 ARG B 36 18.127 2.056 18.104 1.00 53.16 N ATOM 256 N SER B 37 16.617 9.333 17.100 1.00 46.34 N ATOM 257 CA SER B 37 16.944 10.249 16.004 1.00 48.42 C ATOM 258 C SER B 37 16.202 9.953 14.698 1.00 48.11 C ATOM 259 O SER B 37 16.776 10.014 13.609 1.00 41.84 O ATOM 260 CB SER B 37 18.454 10.266 15.756 1.00 50.33 C ATOM 261 OG SER B 37 18.912 8.999 15.323 1.00 59.55 O ATOM 262 N LEU B 38 14.912 9.650 14.834 1.00 46.63 N ATOM 263 CA LEU B 38 14.043 9.342 13.712 1.00 42.48 C ATOM 264 C LEU B 38 13.238 10.576 13.271 1.00 45.67 C ATOM 265 O LEU B 38 12.562 10.564 12.241 1.00 48.43 O ATOM 266 CB LEU B 38 13.119 8.187 14.093 1.00 31.34 C ATOM 267 CG LEU B 38 13.526 6.758 13.690 1.00 44.61 C ATOM 268 CD1 LEU B 38 14.938 6.408 14.148 1.00 33.57 C ATOM 269 CD2 LEU B 38 12.511 5.779 14.265 1.00 37.18 C ATOM 270 N LEU B 39 13.323 11.638 14.063 1.00 41.06 N ATOM 271 CA LEU B 39 12.648 12.896 13.763 1.00 44.47 C ATOM 272 C LEU B 39 13.209 13.917 14.735 1.00 43.28 C ATOM 273 O LEU B 39 13.560 13.582 15.868 1.00 43.51 O ATOM 274 CB LEU B 39 11.127 12.792 13.945 1.00 45.70 C ATOM 275 CG LEU B 39 10.598 12.636 15.368 1.00 37.39 C ATOM 276 CD1 LEU B 39 9.203 13.185 15.418 1.00 43.86 C ATOM 277 CD2 LEU B 39 10.639 11.180 15.791 1.00 41.77 C ATOM 278 N PHE B 40 13.284 15.165 14.297 1.00 40.71 N ATOM 279 CA PHE B 40 13.840 16.192 15.138 1.00 37.06 C ATOM 280 C PHE B 40 12.911 17.365 15.297 1.00 38.50 C ATOM 281 O PHE B 40 13.001 18.334 14.557 1.00 38.25 O ATOM 282 CB PHE B 40 15.177 16.672 14.574 1.00 39.38 C ATOM 283 CG PHE B 40 16.185 15.571 14.369 1.00 41.97 C ATOM 284 CD1 PHE B 40 16.051 14.654 13.320 1.00 35.45 C ATOM 285 CD2 PHE B 40 17.275 15.453 15.223 1.00 44.16 C ATOM 286 CE1 PHE B 40 16.989 13.653 13.127 1.00 33.73 C ATOM 287 CE2 PHE B 40 18.216 14.457 15.038 1.00 42.24 C ATOM 288 CZ PHE B 40 18.069 13.552 13.989 1.00 40.03 C ATOM 289 N PRO B 41 12.010 17.294 16.291 1.00 45.82 N ATOM 290 CA PRO B 41 11.023 18.324 16.627 1.00 42.18 C ATOM 291 C PRO B 41 11.747 19.551 17.138 1.00 44.38 C ATOM 292 O PRO B 41 12.865 19.459 17.635 1.00 55.62 O ATOM 293 CB PRO B 41 10.211 17.688 17.756 1.00 41.21 C ATOM 294 CG PRO B 41 10.376 16.236 17.519 1.00 55.65 C ATOM 295 CD PRO B 41 11.830 16.118 17.158 1.00 46.20 C ATOM 296 N ASP B 42 11.106 20.699 17.021 1.00 40.89 N ATOM 297 CA ASP B 42 11.671 21.936 17.505 1.00 33.84 C ATOM 298 C ASP B 42 11.345 22.010 19.014 1.00 39.48 C ATOM 299 O ASP B 42 10.710 21.112 19.561 1.00 36.33 O ATOM 300 CB ASP B 42 11.047 23.082 16.714 1.00 41.38 C ATOM 301 CG ASP B 42 12.040 23.773 15.801 1.00 47.99 C ATOM 302 OD1 ASP B 42 12.865 23.078 15.165 1.00 54.67 O ATOM 303 OD2 ASP B 42 11.990 25.022 15.718 1.00 51.25 O ATOM 304 N ARG B 43 11.795 23.055 19.694 1.00 39.11 N ATOM 305 CA ARG B 43 11.536 23.205 21.131 1.00 41.61 C ATOM 306 C ARG B 43 11.333 24.665 21.445 1.00 51.37 C ATOM 307 O ARG B 43 12.034 25.535 20.908 1.00 50.76 O ATOM 308 CB ARG B 43 12.724 22.763 21.987 1.00 39.84 C ATOM 309 CG ARG B 43 13.045 21.322 21.965 1.00 41.20 C ATOM 310 CD ARG B 43 12.488 20.663 23.179 1.00 37.66 C ATOM 311 NE ARG B 43 12.868 19.262 23.215 1.00 43.13 N ATOM 312 CZ ARG B 43 12.726 18.486 24.282 1.00 48.84 C ATOM 313 NH1 ARG B 43 12.209 18.990 25.405 1.00 47.41 N ATOM 314 NH2 ARG B 43 13.094 17.211 24.225 1.00 39.72 N ATOM 315 N THR B 44 10.388 24.939 22.329 1.00 38.69 N ATOM 316 CA THR B 44 10.162 26.301 22.725 1.00 37.30 C ATOM 317 C THR B 44 11.182 26.554 23.829 1.00 42.79 C ATOM 318 O THR B 44 11.727 25.616 24.427 1.00 37.04 O ATOM 319 CB THR B 44 8.751 26.472 23.265 1.00 39.05 C ATOM 320 OG1 THR B 44 8.676 25.963 24.598 1.00 44.54 O ATOM 321 CG2 THR B 44 7.784 25.691 22.408 1.00 38.70 C ATOM 322 N ASN B 45 11.454 27.819 24.093 1.00 42.53 N ATOM 323 CA ASN B 45 12.393 28.166 25.140 1.00 46.36 C ATOM 324 C ASN B 45 11.996 27.529 26.473 1.00 40.98 C ATOM 325 O ASN B 45 12.811 27.406 27.366 1.00 46.27 O ATOM 326 CB ASN B 45 12.466 29.683 25.265 1.00 39.88 C ATOM 327 CG ASN B 45 13.126 30.328 24.056 1.00 42.69 C ATOM 328 OD1 ASN B 45 13.484 29.646 23.092 1.00 40.09 O ATOM 329 ND2 ASN B 45 13.300 31.647 24.106 1.00 42.06 N ATOM 330 N THR B 46 10.744 27.120 26.605 1.00 45.83 N ATOM 331 CA THR B 46 10.293 26.499 27.832 1.00 32.84 C ATOM 332 C THR B 46 10.310 24.987 27.725 1.00 36.01 C ATOM 333 O THR B 46 9.618 24.311 28.481 1.00 45.24 O ATOM 334 CB THR B 46 8.888 26.919 28.189 1.00 35.28 C ATOM 335 OG1 THR B 46 7.993 26.494 27.160 1.00 43.72 O ATOM 336 CG2 THR B 46 8.807 28.425 28.333 1.00 33.18 C ATOM 337 N GLY B 47 11.080 24.458 26.777 1.00 34.07 N ATOM 338 CA GLY B 47 11.203 23.018 26.637 1.00 30.61 C ATOM 339 C GLY B 47 10.157 22.189 25.923 1.00 33.45 C ATOM 340 O GLY B 47 10.447 21.034 25.593 1.00 41.34 O ATOM 341 N ILE B 48 8.961 22.750 25.700 1.00 36.41 N ATOM 342 CA ILE B 48 7.861 22.060 25.007 1.00 32.45 C ATOM 343 C ILE B 48 8.259 21.791 23.544 1.00 29.18 C ATOM 344 O ILE B 48 8.751 22.669 22.818 1.00 34.34 O ATOM 345 CB ILE B 48 6.525 22.896 25.068 1.00 32.39 C ATOM 346 CG1 ILE B 48 5.936 22.864 26.485 1.00 35.53 C ATOM 347 CG2 ILE B 48 5.462 22.279 24.169 1.00 31.42 C ATOM 348 CD1 ILE B 48 4.933 23.986 26.775 1.00 62.59 C ATOM 349 N ARG B 49 8.066 20.549 23.144 1.00 23.06 N ATOM 350 CA ARG B 49 8.391 20.086 21.817 1.00 36.77 C ATOM 351 C ARG B 49 7.373 20.583 20.805 1.00 41.73 C ATOM 352 O ARG B 49 6.177 20.602 21.085 1.00 41.21 O ATOM 353 CB ARG B 49 8.432 18.561 21.816 1.00 26.07 C ATOM 354 CG ARG B 49 9.816 18.006 21.665 1.00 32.83 C ATOM 355 CD ARG B 49 9.845 16.563 22.066 1.00 35.19 C ATOM 356 NE ARG B 49 9.730 16.500 23.510 1.00 49.96 N ATOM 357 CZ ARG B 49 10.404 15.658 24.279 1.00 43.44 C ATOM 358 NH1 ARG B 49 11.241 14.783 23.753 1.00 42.05 N ATOM 359 NH2 ARG B 49 10.286 15.742 25.586 1.00 45.12 N ATOM 360 N LYS B 50 7.856 20.987 19.635 1.00 33.02 N ATOM 361 CA LYS B 50 6.998 21.489 18.569 1.00 38.89 C ATOM 362 C LYS B 50 7.081 20.614 17.322 1.00 43.47 C ATOM 363 O LYS B 50 8.159 20.395 16.798 1.00 41.62 O ATOM 364 CB LYS B 50 7.413 22.916 18.204 1.00 47.55 C ATOM 365 CG LYS B 50 6.778 23.977 19.080 1.00 50.68 C ATOM 366 CD LYS B 50 5.261 23.799 19.076 1.00 55.30 C ATOM 367 CE LYS B 50 4.663 23.761 20.499 1.00 56.66 C ATOM 368 NZ LYS B 50 3.182 23.513 20.498 1.00 56.41 N ATOM 369 N TYR B 51 5.964 20.109 16.822 1.00 37.11 N ATOM 370 CA TYR B 51 6.066 19.292 15.627 1.00 41.66 C ATOM 371 C TYR B 51 5.373 19.937 14.436 1.00 47.22 C ATOM 372 O TYR B 51 4.486 20.772 14.597 1.00 35.99 O ATOM 373 CB TYR B 51 5.464 17.915 15.857 1.00 37.21 C ATOM 374 CG TYR B 51 5.967 17.228 17.085 1.00 48.03 C ATOM 375 CD1 TYR B 51 5.518 17.604 18.342 1.00 47.92 C ATOM 376 CD2 TYR B 51 6.870 16.173 16.996 1.00 48.17 C ATOM 377 CE1 TYR B 51 5.945 16.943 19.488 1.00 45.51 C ATOM 378 CE2 TYR B 51 7.301 15.509 18.131 1.00 46.98 C ATOM 379 CZ TYR B 51 6.833 15.894 19.377 1.00 44.40 C ATOM 380 OH TYR B 51 7.225 15.192 20.493 1.00 36.75 O ATOM 381 N SER B 52 5.784 19.537 13.235 1.00 51.00 N ATOM 382 CA SER B 52 5.186 20.052 12.008 1.00 46.66 C ATOM 383 C SER B 52 4.432 18.910 11.346 1.00 49.96 C ATOM 384 O SER B 52 4.638 17.741 11.695 1.00 49.52 O ATOM 385 CB SER B 52 6.260 20.546 11.050 1.00 52.45 C ATOM 386 OG SER B 52 6.850 19.454 10.366 1.00 54.44 O ATOM 387 N PHE B 53 3.568 19.250 10.388 1.00 56.53 N ATOM 388 CA PHE B 53 2.771 18.249 9.666 1.00 49.95 C ATOM 389 C PHE B 53 3.659 17.223 9.008 1.00 48.21 C ATOM 390 O PHE B 53 3.269 16.066 8.811 1.00 43.91 O ATOM 391 CB PHE B 53 1.898 18.900 8.594 1.00 47.86 C ATOM 392 CG PHE B 53 0.611 19.412 9.110 1.00 45.10 C ATOM 393 CD1 PHE B 53 0.366 20.776 9.161 1.00 49.65 C ATOM 394 CD2 PHE B 53 -0.342 18.536 9.608 1.00 46.95 C ATOM 395 CE1 PHE B 53 -0.821 21.267 9.697 1.00 48.98 C ATOM 396 CE2 PHE B 53 -1.534 19.014 10.149 1.00 53.83 C ATOM 397 CZ PHE B 53 -1.772 20.384 10.198 1.00 48.55 C ATOM 398 N SER B 54 4.853 17.662 8.645 1.00 44.18 N ATOM 399 CA SER B 54 5.803 16.769 8.031 1.00 43.52 C ATOM 400 C SER B 54 6.244 15.723 9.056 1.00 49.73 C ATOM 401 O SER B 54 6.358 14.538 8.719 1.00 47.92 O ATOM 402 CB SER B 54 6.990 17.559 7.521 1.00 42.96 C ATOM 403 OG SER B 54 8.109 16.717 7.425 1.00 57.03 O ATOM 404 N ASP B 55 6.477 16.150 10.306 1.00 54.55 N ATOM 405 CA ASP B 55 6.882 15.219 11.372 1.00 52.77 C ATOM 406 C ASP B 55 5.725 14.238 11.621 1.00 52.06 C ATOM 407 O ASP B 55 5.958 13.049 11.858 1.00 58.44 O ATOM 408 CB ASP B 55 7.223 15.944 12.698 1.00 49.54 C ATOM 409 CG ASP B 55 8.470 16.854 12.605 1.00 51.79 C ATOM 410 OD1 ASP B 55 9.534 16.416 12.102 1.00 48.27 O ATOM 411 OD2 ASP B 55 8.384 18.017 13.069 1.00 48.28 O ATOM 412 N VAL B 56 4.486 14.729 11.565 1.00 43.66 N ATOM 413 CA VAL B 56 3.310 13.875 11.766 1.00 46.40 C ATOM 414 C VAL B 56 3.332 12.676 10.805 1.00 52.11 C ATOM 415 O VAL B 56 3.097 11.534 11.218 1.00 53.32 O ATOM 416 CB VAL B 56 1.984 14.678 11.571 1.00 50.49 C ATOM 417 CG1 VAL B 56 0.780 13.750 11.578 1.00 40.81 C ATOM 418 CG2 VAL B 56 1.841 15.711 12.671 1.00 51.71 C ATOM 419 N GLU B 57 3.621 12.934 9.529 1.00 56.75 N ATOM 420 CA GLU B 57 3.690 11.869 8.519 1.00 58.38 C ATOM 421 C GLU B 57 4.899 10.970 8.781 1.00 53.45 C ATOM 422 O GLU B 57 4.807 9.743 8.706 1.00 46.60 O ATOM 423 CB GLU B 57 3.801 12.481 7.125 1.00 63.82 C ATOM 424 CG GLU B 57 2.686 13.438 6.780 1.00 63.38 C ATOM 425 CD GLU B 57 2.997 14.232 5.533 1.00 63.62 C ATOM 426 OE1 GLU B 57 3.556 13.639 4.586 1.00 65.60 O ATOM 427 OE2 GLU B 57 2.679 15.440 5.495 1.00 66.85 O ATOM 428 N ARG B 58 6.034 11.596 9.081 1.00 53.37 N ATOM 429 CA ARG B 58 7.248 10.858 9.384 1.00 48.91 C ATOM 430 C ARG B 58 6.918 9.856 10.485 1.00 51.85 C ATOM 431 O ARG B 58 7.329 8.700 10.424 1.00 58.22 O ATOM 432 CB ARG B 58 8.329 11.815 9.859 1.00 50.57 C ATOM 433 CG ARG B 58 9.739 11.291 9.717 1.00 55.14 C ATOM 434 CD ARG B 58 10.726 12.371 10.132 1.00 52.36 C ATOM 435 NE ARG B 58 12.116 11.936 10.090 1.00 53.98 N ATOM 436 CZ ARG B 58 12.886 11.978 9.008 1.00 56.11 C ATOM 437 NH1 ARG B 58 12.405 12.437 7.863 1.00 60.61 N ATOM 438 NH2 ARG B 58 14.149 11.577 9.077 1.00 58.09 N ATOM 439 N LEU B 59 6.158 10.287 11.486 1.00 45.41 N ATOM 440 CA LEU B 59 5.796 9.374 12.554 1.00 52.42 C ATOM 441 C LEU B 59 4.990 8.187 12.041 1.00 58.41 C ATOM 442 O LEU B 59 5.171 7.053 12.498 1.00 59.97 O ATOM 443 CB LEU B 59 4.977 10.071 13.638 1.00 57.19 C ATOM 444 CG LEU B 59 5.633 10.468 14.968 1.00 51.72 C ATOM 445 CD1 LEU B 59 6.837 9.585 15.283 1.00 43.05 C ATOM 446 CD2 LEU B 59 6.024 11.925 14.892 1.00 49.85 C ATOM 447 N MET B 60 4.089 8.433 11.099 1.00 58.78 N ATOM 448 CA MET B 60 3.284 7.331 10.589 1.00 58.91 C ATOM 449 C MET B 60 4.147 6.322 9.814 1.00 57.48 C ATOM 450 O MET B 60 3.851 5.131 9.811 1.00 57.78 O ATOM 451 CB MET B 60 2.129 7.873 9.729 1.00 62.03 C ATOM 452 CG MET B 60 1.294 8.972 10.409 1.00 61.32 C ATOM 453 SD MET B 60 -0.173 9.474 9.474 1.00 71.77 S ATOM 454 CE MET B 60 0.263 11.129 8.966 1.00 64.97 C ATOM 455 N ASP B 61 5.227 6.783 9.183 1.00 58.79 N ATOM 456 CA ASP B 61 6.100 5.871 8.444 1.00 56.30 C ATOM 457 C ASP B 61 6.893 5.025 9.419 1.00 58.44 C ATOM 458 O ASP B 61 7.061 3.823 9.220 1.00 62.38 O ATOM 459 CB ASP B 61 7.029 6.653 7.521 1.00 60.11 C ATOM 460 CG ASP B 61 6.260 7.495 6.531 1.00 63.88 C ATOM 461 OD1 ASP B 61 5.213 6.993 6.054 1.00 68.59 O ATOM 462 OD2 ASP B 61 6.685 8.636 6.234 1.00 61.30 O ATOM 463 N ILE B 62 7.375 5.666 10.475 1.00 57.62 N ATOM 464 CA ILE B 62 8.112 4.987 11.519 1.00 55.98 C ATOM 465 C ILE B 62 7.183 3.914 12.090 1.00 54.10 C ATOM 466 O ILE B 62 7.531 2.738 12.110 1.00 56.99 O ATOM 467 CB ILE B 62 8.511 5.989 12.628 1.00 55.42 C ATOM 468 CG1 ILE B 62 9.471 7.041 12.065 1.00 57.37 C ATOM 469 CG2 ILE B 62 9.082 5.275 13.829 1.00 53.59 C ATOM 470 CD1 ILE B 62 10.838 6.569 11.594 1.00 68.06 C ATOM 471 N ALA B 63 5.995 4.307 12.535 1.00 55.34 N ATOM 472 CA ALA B 63 5.061 3.336 13.105 1.00 64.47 C ATOM 473 C ALA B 63 4.796 2.168 12.151 1.00 68.96 C ATOM 474 O ALA B 63 4.727 1.007 12.577 1.00 63.36 O ATOM 475 CB ALA B 63 3.751 4.013 13.484 1.00 62.64 C ATOM 476 N ASP B 64 4.644 2.468 10.862 1.00 70.03 N ATOM 477 CA ASP B 64 4.412 1.416 9.874 1.00 70.48 C ATOM 478 C ASP B 64 5.546 0.393 9.856 1.00 67.74 C ATOM 479 O ASP B 64 5.293 -0.810 9.897 1.00 67.94 O ATOM 480 CB ASP B 64 4.227 2.009 8.472 1.00 71.20 C ATOM 481 CG ASP B 64 2.899 2.741 8.317 1.00 78.45 C ATOM 482 OD1 ASP B 64 1.856 2.177 8.747 1.00 76.41 O ATOM 483 OD2 ASP B 64 2.902 3.872 7.758 1.00 78.78 O ATOM 484 N ARG B 65 6.792 0.859 9.798 1.00 65.51 N ATOM 485 CA ARG B 65 7.906 -0.072 9.780 1.00 68.02 C ATOM 486 C ARG B 65 8.056 -0.794 11.103 1.00 67.42 C ATOM 487 O ARG B 65 8.455 -1.960 11.131 1.00 71.14 O ATOM 488 CB ARG B 65 9.215 0.626 9.415 1.00 69.15 C ATOM 489 CG ARG B 65 9.582 0.489 7.934 1.00 74.89 C ATOM 490 CD ARG B 65 8.807 1.465 7.068 1.00 80.21 C ATOM 491 NE ARG B 65 9.439 2.785 7.016 1.00 82.28 N ATOM 492 CZ ARG B 65 8.899 3.856 6.436 1.00 85.43 C ATOM 493 NH1 ARG B 65 7.704 3.768 5.855 1.00 84.34 N ATOM 494 NH2 ARG B 65 9.555 5.013 6.425 1.00 82.98 N ATOM 495 N ILE B 66 7.739 -0.113 12.201 1.00 65.68 N ATOM 496 CA ILE B 66 7.837 -0.743 13.514 1.00 68.95 C ATOM 497 C ILE B 66 6.928 -1.972 13.549 1.00 73.16 C ATOM 498 O ILE B 66 7.347 -3.052 13.978 1.00 68.72 O ATOM 499 CB ILE B 66 7.421 0.209 14.647 1.00 68.91 C ATOM 500 CG1 ILE B 66 8.516 1.260 14.904 1.00 67.00 C ATOM 501 CG2 ILE B 66 7.161 -0.582 15.912 1.00 71.32 C ATOM 502 CD1 ILE B 66 9.907 0.723 15.306 1.00 58.42 C ATOM 503 N GLU B 67 5.688 -1.801 13.092 1.00 76.11 N ATOM 504 CA GLU B 67 4.721 -2.898 13.052 1.00 75.27 C ATOM 505 C GLU B 67 5.269 -4.059 12.232 1.00 75.63 C ATOM 506 O GLU B 67 5.107 -5.220 12.602 1.00 79.54 O ATOM 507 CB GLU B 67 3.417 -2.439 12.414 1.00 78.21 C ATOM 508 CG GLU B 67 2.670 -1.378 13.169 1.00 82.14 C ATOM 509 CD GLU B 67 1.745 -0.601 12.249 1.00 87.46 C ATOM 510 OE1 GLU B 67 1.091 -1.235 11.384 1.00 85.66 O ATOM 511 OE2 GLU B 67 1.674 0.641 12.391 1.00 89.52 O ATOM 512 N GLU B 68 5.907 -3.747 11.109 1.00 72.91 N ATOM 513 CA GLU B 68 6.471 -4.787 10.257 1.00 75.27 C ATOM 514 C GLU B 68 7.736 -5.377 10.875 1.00 73.19 C ATOM 515 O GLU B 68 8.600 -5.885 10.162 1.00 75.73 O ATOM 516 CB GLU B 68 6.797 -4.225 8.869 1.00 75.54 C ATOM 517 CG GLU B 68 5.631 -3.533 8.182 1.00 76.33 C ATOM 518 CD GLU B 68 6.013 -2.956 6.829 1.00 78.86 C ATOM 519 OE1 GLU B 68 6.970 -2.149 6.773 1.00 80.25 O ATOM 520 OE2 GLU B 68 5.357 -3.303 5.822 1.00 77.43 O ATOM 521 N GLY B 69 7.839 -5.301 12.200 1.00 71.73 N ATOM 522 CA GLY B 69 9.001 -5.835 12.889 1.00 70.62 C ATOM 523 C GLY B 69 10.309 -5.284 12.363 1.00 65.19 C ATOM 524 O GLY B 69 11.123 -6.015 11.805 1.00 68.55 O ATOM 525 N VAL B 70 10.501 -3.983 12.532 1.00 66.40 N ATOM 526 CA VAL B 70 11.716 -3.311 12.085 1.00 68.08 C ATOM 527 C VAL B 70 12.258 -2.473 13.238 1.00 67.95 C ATOM 528 O VAL B 70 11.500 -1.758 13.903 1.00 64.71 O ATOM 529 CB VAL B 70 11.435 -2.385 10.881 1.00 62.35 C ATOM 530 CG1 VAL B 70 12.725 -1.770 10.374 1.00 59.48 C ATOM 531 CG2 VAL B 70 10.760 -3.165 9.784 1.00 62.87 C ATOM 532 N GLN B 71 13.566 -2.578 13.473 1.00 63.80 N ATOM 533 CA GLN B 71 14.212 -1.832 14.543 1.00 63.59 C ATOM 534 C GLN B 71 14.431 -0.399 14.092 1.00 64.19 C ATOM 535 O GLN B 71 14.603 -0.130 12.902 1.00 62.58 O ATOM 536 CB GLN B 71 15.560 -2.462 14.924 1.00 68.28 C ATOM 537 CG GLN B 71 15.794 -2.566 16.456 1.00 74.18 C ATOM 538 CD GLN B 71 17.185 -2.073 16.909 1.00 75.24 C ATOM 539 OE1 GLN B 71 17.464 -0.858 16.950 1.00 62.65 O ATOM 540 NE2 GLN B 71 18.060 -3.020 17.246 1.00 72.13 N ATOM 541 N THR B 72 14.410 0.517 15.055 1.00 64.28 N ATOM 542 CA THR B 72 14.599 1.937 14.789 1.00 62.50 C ATOM 543 C THR B 72 15.826 2.212 13.940 1.00 59.48 C ATOM 544 O THR B 72 15.806 3.087 13.084 1.00 61.95 O ATOM 545 CB THR B 72 14.729 2.738 16.091 1.00 62.60 C ATOM 546 OG1 THR B 72 15.604 2.049 16.994 1.00 72.06 O ATOM 547 CG2 THR B 72 13.376 2.930 16.728 1.00 64.48 C ATOM 548 N SER B 73 16.892 1.464 14.191 1.00 59.18 N ATOM 549 CA SER B 73 18.135 1.610 13.452 1.00 61.76 C ATOM 550 C SER B 73 17.850 1.465 11.962 1.00 60.22 C ATOM 551 O SER B 73 18.128 2.361 11.176 1.00 57.79 O ATOM 552 CB SER B 73 19.125 0.532 13.886 1.00 61.16 C ATOM 553 OG SER B 73 19.136 0.394 15.292 1.00 69.48 O ATOM 554 N GLU B 74 17.294 0.323 11.583 1.00 59.12 N ATOM 555 CA GLU B 74 16.968 0.066 10.191 1.00 60.12 C ATOM 556 C GLU B 74 16.126 1.216 9.660 1.00 60.96 C ATOM 557 O GLU B 74 16.425 1.785 8.614 1.00 56.68 O ATOM 558 CB GLU B 74 16.197 -1.243 10.068 1.00 65.66 C ATOM 559 CG GLU B 74 16.872 -2.397 10.780 1.00 73.91 C ATOM 560 CD GLU B 74 16.367 -3.745 10.315 1.00 76.18 C ATOM 561 OE1 GLU B 74 16.887 -4.770 10.802 1.00 78.01 O ATOM 562 OE2 GLU B 74 15.454 -3.776 9.459 1.00 81.56 O ATOM 563 N ILE B 75 15.074 1.562 10.395 1.00 62.71 N ATOM 564 CA ILE B 75 14.206 2.660 9.997 1.00 55.34 C ATOM 565 C ILE B 75 15.037 3.941 9.859 1.00 55.23 C ATOM 566 O ILE B 75 14.894 4.677 8.888 1.00 62.74 O ATOM 567 CB ILE B 75 13.072 2.898 11.037 1.00 52.47 C ATOM 568 CG1 ILE B 75 12.100 1.721 11.046 1.00 53.35 C ATOM 569 CG2 ILE B 75 12.303 4.147 10.695 1.00 52.68 C ATOM 570 CD1 ILE B 75 11.215 1.638 12.292 1.00 54.58 C ATOM 571 N ARG B 76 15.918 4.193 10.820 1.00 55.83 N ATOM 572 CA ARG B 76 16.749 5.397 10.811 1.00 56.69 C ATOM 573 C ARG B 76 17.576 5.544 9.549 1.00 51.30 C ATOM 574 O ARG B 76 17.862 6.652 9.098 1.00 41.36 O ATOM 575 CB ARG B 76 17.710 5.390 11.984 1.00 51.26 C ATOM 576 CG ARG B 76 18.343 6.716 12.207 1.00 43.33 C ATOM 577 CD ARG B 76 19.652 6.542 12.871 1.00 50.76 C ATOM 578 NE ARG B 76 20.751 6.660 11.916 1.00 55.34 N ATOM 579 CZ ARG B 76 21.401 5.647 11.348 1.00 56.64 C ATOM 580 NH1 ARG B 76 21.087 4.373 11.617 1.00 51.01 N ATOM 581 NH2 ARG B 76 22.386 5.930 10.506 1.00 52.32 N ATOM 582 N THR B 77 17.983 4.400 9.017 1.00 56.12 N ATOM 583 CA THR B 77 18.790 4.324 7.809 1.00 58.82 C ATOM 584 C THR B 77 17.888 4.598 6.613 1.00 55.40 C ATOM 585 O THR B 77 18.193 5.433 5.766 1.00 51.12 O ATOM 586 CB THR B 77 19.409 2.923 7.677 1.00 55.90 C ATOM 587 OG1 THR B 77 20.119 2.608 8.880 1.00 53.40 O ATOM 588 CG2 THR B 77 20.356 2.862 6.490 1.00 51.67 C ATOM 589 N GLU B 78 16.764 3.893 6.572 1.00 56.28 N ATOM 590 CA GLU B 78 15.782 4.039 5.504 1.00 60.74 C ATOM 591 C GLU B 78 15.439 5.498 5.272 1.00 60.39 C ATOM 592 O GLU B 78 15.392 5.971 4.132 1.00 64.12 O ATOM 593 CB GLU B 78 14.521 3.265 5.870 1.00 53.02 C ATOM 594 CG GLU B 78 14.813 1.811 6.127 1.00 58.57 C ATOM 595 CD GLU B 78 13.608 1.031 6.574 1.00 62.19 C ATOM 596 OE1 GLU B 78 12.695 1.645 7.172 1.00 63.64 O ATOM 597 OE2 GLU B 78 13.584 -0.201 6.342 1.00 61.24 O ATOM 598 N LEU B 79 15.207 6.199 6.374 1.00 60.56 N ATOM 599 CA LEU B 79 14.864 7.610 6.366 1.00 59.94 C ATOM 600 C LEU B 79 16.030 8.458 5.916 1.00 60.66 C ATOM 601 O LEU B 79 15.854 9.471 5.234 1.00 60.72 O ATOM 602 CB LEU B 79 14.442 8.051 7.763 1.00 57.87 C ATOM 603 CG LEU B 79 12.963 7.920 8.128 1.00 62.53 C ATOM 604 CD1 LEU B 79 12.472 6.489 7.903 1.00 63.35 C ATOM 605 CD2 LEU B 79 12.785 8.332 9.589 1.00 69.94 C ATOM 606 N ALA B 80 17.227 8.050 6.316 1.00 64.83 N ATOM 607 CA ALA B 80 18.430 8.787 5.956 1.00 67.24 C ATOM 608 C ALA B 80 18.576 8.806 4.448 1.00 71.26 C ATOM 609 O ALA B 80 18.892 9.841 3.854 1.00 72.15 O ATOM 610 CB ALA B 80 19.641 8.140 6.585 1.00 69.44 C ATOM 611 N LYS B 81 18.345 7.644 3.843 1.00 72.61 N ATOM 612 CA LYS B 81 18.445 7.489 2.402 1.00 75.50 C ATOM 613 C LYS B 81 17.415 8.370 1.710 1.00 78.96 C ATOM 614 O LYS B 81 17.651 8.872 0.605 1.00 80.79 O ATOM 615 CB LYS B 81 18.240 6.016 2.000 1.00 76.87 C ATOM 616 CG LYS B 81 19.532 5.182 1.927 1.00 79.47 C ATOM 617 CD LYS B 81 20.062 4.786 3.313 1.00 79.78 C ATOM 618 CE LYS B 81 21.449 4.124 3.254 1.00 80.88 C ATOM 619 NZ LYS B 81 22.561 5.106 3.042 1.00 79.66 N ATOM 620 N LYS B 82 16.273 8.570 2.360 1.00 75.17 N ATOM 621 CA LYS B 82 15.236 9.401 1.742 1.00 71.63 C ATOM 622 C LYS B 82 15.512 10.907 1.795 1.00 65.99 C ATOM 623 O LYS B 82 15.061 11.679 1.048 1.00 74.11 O ATOM 624 CB LYS B 82 13.877 9.095 2.347 1.00 77.80 C ATOM 625 CG LYS B 82 13.430 7.660 2.185 1.00 79.90 C ATOM 626 CD LYS B 82 12.038 7.499 2.770 1.00 76.65 C ATOM 627 CE LYS B 82 11.882 6.160 3.495 1.00 82.13 C ATOM 628 NZ LYS B 82 10.587 6.041 4.247 1.00 80.80 N ATOM 629 N ASP B 83 16.427 11.304 2.628 1.00 67.79 N ATOM 630 CA ASP B 83 16.653 12.719 2.716 1.00 44.67 C ATOM 631 C ASP B 83 17.629 13.193 1.636 1.00 45.39 C ATOM 632 O ASP B 83 17.478 14.281 1.072 1.00 61.39 O ATOM 633 CB ASP B 83 17.228 12.932 4.094 1.00 40.27 C ATOM 634 CG ASP B 83 16.178 12.807 5.224 1.00 62.26 C ATOM 635 OD1 ASP B 83 16.585 12.856 6.413 1.00 60.36 O ATOM 636 OD2 ASP B 83 14.951 12.675 4.945 1.00 61.27 O ATOM 637 N GLU B 84 18.658 12.394 1.373 1.00 46.68 N ATOM 638 CA GLU B 84 19.655 12.788 0.374 1.00 58.24 C ATOM 639 C GLU B 84 19.001 12.920 -0.997 1.00 54.97 C ATOM 640 O GLU B 84 19.300 13.855 -1.753 1.00 62.28 O ATOM 641 CB GLU B 84 20.807 11.768 0.299 1.00 52.54 C ATOM 642 CG GLU B 84 21.684 11.725 1.545 1.00 55.77 C ATOM 643 CD GLU B 84 22.934 10.860 1.361 1.00 68.42 C ATOM 644 OE1 GLU B 84 22.797 9.645 1.058 1.00 69.79 O ATOM 645 OE2 GLU B 84 24.060 11.397 1.524 1.00 69.27 O ATOM 646 N ALA B 85 18.097 11.998 -1.312 1.00 50.75 N ATOM 647 CA ALA B 85 17.420 12.027 -2.608 1.00 56.19 C ATOM 648 C ALA B 85 16.489 13.231 -2.737 1.00 60.81 C ATOM 649 O ALA B 85 16.313 13.779 -3.833 1.00 61.16 O ATOM 650 CB ALA B 85 16.632 10.744 -2.808 1.00 52.43 C ATOM 651 N ARG B 86 15.889 13.636 -1.621 1.00 56.93 N ATOM 652 CA ARG B 86 14.977 14.769 -1.646 1.00 57.31 C ATOM 653 C ARG B 86 15.741 16.029 -2.053 1.00 61.20 C ATOM 654 O ARG B 86 15.221 16.868 -2.799 1.00 58.54 O ATOM 655 CB ARG B 86 14.333 14.936 -0.269 1.00 55.75 C ATOM 656 CG ARG B 86 13.173 15.920 -0.212 1.00 56.20 C ATOM 657 CD ARG B 86 13.658 17.362 -0.200 1.00 57.87 C ATOM 658 NE ARG B 86 12.542 18.299 -0.123 1.00 64.45 N ATOM 659 CZ ARG B 86 12.664 19.622 -0.229 1.00 67.88 C ATOM 660 NH1 ARG B 86 13.859 20.173 -0.419 1.00 62.95 N ATOM 661 NH2 ARG B 86 11.585 20.400 -0.149 1.00 71.19 N ATOM 662 N LYS B 87 16.980 16.150 -1.576 1.00 66.10 N ATOM 663 CA LYS B 87 17.816 17.317 -1.887 1.00 68.96 C ATOM 664 C LYS B 87 18.254 17.317 -3.349 1.00 68.17 C ATOM 665 O LYS B 87 18.793 18.311 -3.844 1.00 68.80 O ATOM 666 CB LYS B 87 19.050 17.327 -0.985 1.00 59.55 C ATOM 667 CG LYS B 87 18.714 17.220 0.491 1.00 60.64 C ATOM 668 CD LYS B 87 19.963 16.946 1.317 1.00 62.97 C ATOM 669 CE LYS B 87 19.591 16.530 2.740 1.00 65.66 C ATOM 670 NZ LYS B 87 20.792 16.104 3.523 1.00 69.67 N ATOM 671 N MET B 88 18.020 16.202 -4.036 1.00 69.02 N ATOM 672 CA MET B 88 18.389 16.091 -5.443 1.00 68.67 C ATOM 673 C MET B 88 17.208 16.494 -6.315 1.00 73.50 C ATOM 674 O MET B 88 17.425 17.027 -7.425 1.00 78.23 O ATOM 675 CB MET B 88 18.783 14.664 -5.768 1.00 68.41 C ATOM 676 CG MET B 88 19.253 13.894 -4.565 1.00 72.71 C ATOM 677 SD MET B 88 20.036 12.382 -5.095 1.00 94.59 S ATOM 678 CE MET B 88 21.253 13.061 -6.272 1.00 76.27 C ATOM 679 OXT MET B 88 16.065 16.244 -5.886 1.00 70.51 O TER 680 MET B 88 ATOM 681 O5' DC G 0 -17.615 50.325 22.150 1.00 77.11 O ATOM 682 C5' DC G 0 -17.055 50.580 20.853 1.00 73.61 C ATOM 683 C4' DC G 0 -15.597 50.197 20.716 1.00 75.02 C ATOM 684 O4' DC G 0 -14.856 50.760 21.827 1.00 78.88 O ATOM 685 C3' DC G 0 -15.301 48.694 20.726 1.00 72.21 C ATOM 686 O3' DC G 0 -14.228 48.401 19.815 1.00 71.89 O ATOM 687 C2' DC G 0 -14.887 48.429 22.162 1.00 72.64 C ATOM 688 C1' DC G 0 -14.225 49.734 22.583 1.00 72.63 C ATOM 689 N1 DC G 0 -14.383 50.067 24.011 1.00 69.90 N ATOM 690 C2 DC G 0 -13.393 50.854 24.636 1.00 74.56 C ATOM 691 O2 DC G 0 -12.405 51.225 23.979 1.00 70.62 O ATOM 692 N3 DC G 0 -13.552 51.167 25.914 1.00 75.87 N ATOM 693 C4 DC G 0 -14.615 50.718 26.555 1.00 72.99 C ATOM 694 N4 DC G 0 -14.739 51.014 27.827 1.00 78.95 N ATOM 695 C5 DC G 0 -15.618 49.936 25.974 1.00 66.54 C ATOM 696 C6 DC G 0 -15.472 49.629 24.716 1.00 67.20 C ATOM 697 P DG G 1 -13.967 46.887 19.320 1.00 72.14 P ATOM 698 OP1 DG G 1 -14.039 46.865 17.839 1.00 71.12 O ATOM 699 OP2 DG G 1 -14.816 45.958 20.109 1.00 66.84 O ATOM 700 O5' DG G 1 -12.435 46.662 19.683 1.00 65.87 O ATOM 701 C5' DG G 1 -11.472 47.607 19.235 1.00 63.68 C ATOM 702 C4' DG G 1 -10.263 47.617 20.139 1.00 63.57 C ATOM 703 O4' DG G 1 -10.591 48.085 21.470 1.00 59.81 O ATOM 704 C3' DG G 1 -9.599 46.260 20.323 1.00 60.04 C ATOM 705 O3' DG G 1 -8.193 46.435 20.242 1.00 62.82 O ATOM 706 C2' DG G 1 -9.987 45.857 21.733 1.00 59.25 C ATOM 707 C1' DG G 1 -10.052 47.197 22.435 1.00 55.07 C ATOM 708 N9 DG G 1 -10.939 47.209 23.594 1.00 57.77 N ATOM 709 C8 DG G 1 -12.133 46.544 23.705 1.00 61.51 C ATOM 710 N7 DG G 1 -12.722 46.732 24.855 1.00 60.73 N ATOM 711 C5 DG G 1 -11.870 47.579 25.548 1.00 59.09 C ATOM 712 C6 DG G 1 -11.989 48.133 26.848 1.00 58.45 C ATOM 713 O6 DG G 1 -12.899 47.983 27.664 1.00 55.73 O ATOM 714 N1 DG G 1 -10.899 48.934 27.166 1.00 56.85 N ATOM 715 C2 DG G 1 -9.831 49.174 26.338 1.00 61.51 C ATOM 716 N2 DG G 1 -8.877 49.984 26.829 1.00 65.04 N ATOM 717 N3 DG G 1 -9.706 48.662 25.118 1.00 62.04 N ATOM 718 C4 DG G 1 -10.757 47.881 24.788 1.00 61.24 C ATOM 719 P DT G 2 -7.238 45.157 20.354 1.00 76.15 P ATOM 720 OP1 DT G 2 -6.144 45.308 19.357 1.00 64.27 O ATOM 721 OP2 DT G 2 -8.112 43.949 20.326 1.00 64.48 O ATOM 722 O5' DT G 2 -6.644 45.282 21.823 1.00 63.45 O ATOM 723 C5' DT G 2 -6.035 46.486 22.247 1.00 51.84 C ATOM 724 C4' DT G 2 -5.578 46.351 23.676 1.00 52.33 C ATOM 725 O4' DT G 2 -6.661 46.592 24.603 1.00 49.25 O ATOM 726 C3' DT G 2 -4.991 44.985 24.037 1.00 53.99 C ATOM 727 O3' DT G 2 -3.837 45.216 24.822 1.00 60.08 O ATOM 728 C2' DT G 2 -6.052 44.374 24.932 1.00 51.65 C ATOM 729 C1' DT G 2 -6.616 45.605 25.609 1.00 50.48 C ATOM 730 N1 DT G 2 -7.968 45.424 26.130 1.00 50.41 N ATOM 731 C2 DT G 2 -8.247 45.937 27.372 1.00 57.98 C ATOM 732 O2 DT G 2 -7.441 46.586 28.024 1.00 49.99 O ATOM 733 N3 DT G 2 -9.511 45.660 27.831 1.00 55.17 N ATOM 734 C4 DT G 2 -10.495 44.949 27.180 1.00 50.81 C ATOM 735 O4 DT G 2 -11.571 44.755 27.729 1.00 49.26 O ATOM 736 C5 DT G 2 -10.142 44.475 25.863 1.00 53.88 C ATOM 737 C7 DT G 2 -11.157 43.717 25.067 1.00 59.18 C ATOM 738 C6 DT G 2 -8.914 44.736 25.408 1.00 47.67 C ATOM 739 P DG G 3 -2.711 44.085 24.967 1.00 75.43 P ATOM 740 OP1 DG G 3 -1.700 44.292 23.891 1.00 63.13 O ATOM 741 OP2 DG G 3 -3.341 42.743 25.149 1.00 61.21 O ATOM 742 O5' DG G 3 -2.050 44.501 26.347 1.00 59.70 O ATOM 743 C5' DG G 3 -1.983 45.870 26.719 1.00 60.16 C ATOM 744 C4' DG G 3 -1.982 45.982 28.220 1.00 63.22 C ATOM 745 O4' DG G 3 -3.321 46.157 28.729 1.00 57.16 O ATOM 746 C3' DG G 3 -1.440 44.713 28.862 1.00 68.64 C ATOM 747 O3' DG G 3 -0.490 44.989 29.876 1.00 66.62 O ATOM 748 C2' DG G 3 -2.665 44.046 29.450 1.00 66.47 C ATOM 749 C1' DG G 3 -3.570 45.218 29.752 1.00 60.92 C ATOM 750 N9 DG G 3 -4.973 44.831 29.681 1.00 67.31 N ATOM 751 C8 DG G 3 -5.602 44.210 28.629 1.00 63.63 C ATOM 752 N7 DG G 3 -6.830 43.871 28.898 1.00 60.51 N ATOM 753 C5 DG G 3 -7.033 44.322 30.194 1.00 61.20 C ATOM 754 C6 DG G 3 -8.168 44.213 31.035 1.00 62.51 C ATOM 755 O6 DG G 3 -9.247 43.659 30.803 1.00 60.18 O ATOM 756 N1 DG G 3 -7.951 44.822 32.267 1.00 61.19 N ATOM 757 C2 DG G 3 -6.791 45.450 32.642 1.00 62.13 C ATOM 758 N2 DG G 3 -6.783 45.992 33.868 1.00 62.56 N ATOM 759 N3 DG G 3 -5.720 45.542 31.872 1.00 61.29 N ATOM 760 C4 DG G 3 -5.909 44.953 30.673 1.00 60.34 C ATOM 761 P DT G 4 0.256 43.768 30.576 1.00 66.95 P ATOM 762 OP1 DT G 4 1.630 44.155 30.958 1.00 78.08 O ATOM 763 OP2 DT G 4 0.040 42.599 29.688 1.00 71.36 O ATOM 764 O5' DT G 4 -0.555 43.625 31.926 1.00 67.29 O ATOM 765 C5' DT G 4 -0.605 44.720 32.822 1.00 73.19 C ATOM 766 C4' DT G 4 -1.253 44.288 34.107 1.00 74.27 C ATOM 767 O4' DT G 4 -2.671 44.105 33.909 1.00 72.06 O ATOM 768 C3' DT G 4 -0.717 42.937 34.553 1.00 78.19 C ATOM 769 O3' DT G 4 -0.662 42.904 35.962 1.00 84.09 O ATOM 770 C2' DT G 4 -1.772 41.965 34.074 1.00 79.33 C ATOM 771 C1' DT G 4 -3.021 42.785 34.280 1.00 76.27 C ATOM 772 N1 DT G 4 -4.144 42.363 33.448 1.00 76.09 N ATOM 773 C2 DT G 4 -5.385 42.290 34.033 1.00 75.43 C ATOM 774 O2 DT G 4 -5.590 42.573 35.202 1.00 76.79 O ATOM 775 N3 DT G 4 -6.383 41.875 33.194 1.00 77.61 N ATOM 776 C4 DT G 4 -6.264 41.542 31.855 1.00 77.95 C ATOM 777 O4 DT G 4 -7.257 41.189 31.224 1.00 74.40 O ATOM 778 C5 DT G 4 -4.928 41.649 31.308 1.00 73.40 C ATOM 779 C7 DT G 4 -4.698 41.313 29.871 1.00 67.87 C ATOM 780 C6 DT G 4 -3.950 42.048 32.123 1.00 75.99 C ATOM 781 P DA G 5 0.360 41.912 36.671 1.00 92.97 P ATOM 782 OP1 DA G 5 1.571 42.703 37.017 1.00 88.33 O ATOM 783 OP2 DA G 5 0.478 40.700 35.809 1.00 87.03 O ATOM 784 O5' DA G 5 -0.408 41.508 38.000 1.00 91.33 O ATOM 785 C5' DA G 5 -1.114 42.480 38.760 1.00 87.31 C ATOM 786 C4' DA G 5 -2.272 41.813 39.456 1.00 88.26 C ATOM 787 O4' DA G 5 -3.233 41.442 38.442 1.00 86.37 O ATOM 788 C3' DA G 5 -1.873 40.510 40.158 1.00 90.22 C ATOM 789 O3' DA G 5 -2.619 40.326 41.364 1.00 91.09 O ATOM 790 C2' DA G 5 -2.229 39.442 39.144 1.00 88.84 C ATOM 791 C1' DA G 5 -3.448 40.041 38.479 1.00 88.75 C ATOM 792 N9 DA G 5 -3.653 39.585 37.112 1.00 86.85 N ATOM 793 C8 DA G 5 -2.746 39.472 36.087 1.00 86.73 C ATOM 794 N7 DA G 5 -3.268 39.021 34.971 1.00 83.12 N ATOM 795 C5 DA G 5 -4.604 38.826 35.287 1.00 83.26 C ATOM 796 C6 DA G 5 -5.695 38.361 34.539 1.00 84.08 C ATOM 797 N6 DA G 5 -5.614 37.995 33.260 1.00 83.59 N ATOM 798 N1 DA G 5 -6.893 38.284 35.159 1.00 81.75 N ATOM 799 C2 DA G 5 -6.977 38.653 36.443 1.00 80.13 C ATOM 800 N3 DA G 5 -6.027 39.106 37.250 1.00 79.68 N ATOM 801 C4 DA G 5 -4.852 39.168 36.602 1.00 83.83 C ATOM 802 P DA G 6 -2.689 38.870 42.041 1.00 93.57 P ATOM 803 OP1 DA G 6 -2.991 39.066 43.489 1.00 93.49 O ATOM 804 OP2 DA G 6 -1.502 38.071 41.633 1.00 88.61 O ATOM 805 O5' DA G 6 -3.959 38.214 41.348 1.00 84.26 O ATOM 806 C5' DA G 6 -5.268 38.593 41.749 1.00 82.52 C ATOM 807 C4' DA G 6 -6.132 37.364 41.846 1.00 75.91 C ATOM 808 O4' DA G 6 -6.475 36.911 40.514 1.00 71.03 O ATOM 809 C3' DA G 6 -5.380 36.214 42.506 1.00 75.85 C ATOM 810 O3' DA G 6 -6.287 35.455 43.296 1.00 77.05 O ATOM 811 C2' DA G 6 -4.853 35.418 41.326 1.00 71.47 C ATOM 812 C1' DA G 6 -5.940 35.621 40.283 1.00 70.77 C ATOM 813 N9 DA G 6 -5.476 35.566 38.897 1.00 63.16 N ATOM 814 C8 DA G 6 -4.237 35.879 38.394 1.00 64.92 C ATOM 815 N7 DA G 6 -4.133 35.704 37.097 1.00 61.48 N ATOM 816 C5 DA G 6 -5.390 35.252 36.720 1.00 59.18 C ATOM 817 C6 DA G 6 -5.937 34.884 35.468 1.00 60.37 C ATOM 818 N6 DA G 6 -5.261 34.924 34.316 1.00 56.80 N ATOM 819 N1 DA G 6 -7.222 34.468 35.444 1.00 59.65 N ATOM 820 C2 DA G 6 -7.909 34.435 36.598 1.00 60.62 C ATOM 821 N3 DA G 6 -7.510 34.763 37.828 1.00 58.01 N ATOM 822 C4 DA G 6 -6.228 35.165 37.819 1.00 60.17 C ATOM 823 P DG G 7 -5.725 34.466 44.426 1.00 81.74 P ATOM 824 OP1 DG G 7 -6.391 34.846 45.702 1.00 76.64 O ATOM 825 OP2 DG G 7 -4.232 34.402 44.347 1.00 71.65 O ATOM 826 O5' DG G 7 -6.313 33.060 43.969 1.00 77.71 O ATOM 827 C5' DG G 7 -7.707 32.942 43.695 1.00 74.76 C ATOM 828 C4' DG G 7 -8.005 31.713 42.849 1.00 74.36 C ATOM 829 O4' DG G 7 -7.646 31.905 41.461 1.00 74.60 O ATOM 830 C3' DG G 7 -7.130 30.537 43.308 1.00 72.94 C ATOM 831 O3' DG G 7 -7.638 29.289 43.549 1.00 67.66 O ATOM 832 C2' DG G 7 -6.118 30.351 42.223 1.00 68.96 C ATOM 833 C1' DG G 7 -6.869 30.806 40.997 1.00 71.82 C ATOM 834 N9 DG G 7 -6.023 31.270 39.894 1.00 67.89 N ATOM 835 C8 DG G 7 -4.781 31.838 40.011 1.00 64.91 C ATOM 836 N7 DG G 7 -4.237 32.131 38.864 1.00 61.43 N ATOM 837 C5 DG G 7 -5.180 31.741 37.923 1.00 70.08 C ATOM 838 C6 DG G 7 -5.149 31.815 36.488 1.00 71.07 C ATOM 839 O6 DG G 7 -4.249 32.254 35.751 1.00 64.97 O ATOM 840 N1 DG G 7 -6.315 31.307 35.925 1.00 65.49 N ATOM 841 C2 DG G 7 -7.372 30.792 36.632 1.00 64.01 C ATOM 842 N2 DG G 7 -8.397 30.340 35.896 1.00 63.26 N ATOM 843 N3 DG G 7 -7.420 30.721 37.960 1.00 68.06 N ATOM 844 C4 DG G 7 -6.296 31.210 38.537 1.00 68.57 C ATOM 845 P DG G 8 -6.626 28.087 43.879 1.00 95.39 P ATOM 846 OP1 DG G 8 -7.225 27.375 45.016 1.00 71.20 O ATOM 847 OP2 DG G 8 -5.032 28.050 43.785 1.00 70.18 O ATOM 848 O5' DG G 8 -7.168 27.473 42.538 1.00 62.31 O ATOM 849 C5' DG G 8 -8.468 27.886 42.150 1.00 57.07 C ATOM 850 C4' DG G 8 -8.870 27.206 40.877 1.00 52.31 C ATOM 851 O4' DG G 8 -8.121 27.849 39.794 1.00 58.54 O ATOM 852 C3' DG G 8 -8.523 25.686 40.868 1.00 57.06 C ATOM 853 O3' DG G 8 -9.712 24.964 40.129 1.00 58.97 O ATOM 854 C2' DG G 8 -7.191 25.711 40.087 1.00 56.29 C ATOM 855 C1' DG G 8 -7.375 26.862 39.102 1.00 51.43 C ATOM 856 N9 DG G 8 -6.113 27.454 38.655 1.00 49.91 N ATOM 857 C8 DG G 8 -5.045 27.818 39.444 1.00 53.21 C ATOM 858 N7 DG G 8 -4.036 28.290 38.758 1.00 64.06 N ATOM 859 C5 DG G 8 -4.462 28.243 37.435 1.00 46.93 C ATOM 860 C6 DG G 8 -3.789 28.612 36.237 1.00 44.50 C ATOM 861 O6 DG G 8 -2.645 29.063 36.099 1.00 53.14 O ATOM 862 N1 DG G 8 -4.584 28.402 35.125 1.00 42.73 N ATOM 863 C2 DG G 8 -5.858 27.895 35.148 1.00 47.02 C ATOM 864 N2 DG G 8 -6.465 27.771 33.958 1.00 55.53 N ATOM 865 N3 DG G 8 -6.495 27.538 36.253 1.00 46.30 N ATOM 866 C4 DG G 8 -5.743 27.739 37.353 1.00 46.58 C ATOM 867 P DA G 9 -9.893 23.267 39.874 1.00 51.38 P ATOM 868 OP1 DA G 9 -11.331 22.753 40.147 1.00 61.88 O ATOM 869 OP2 DA G 9 -8.819 22.629 40.554 1.00 65.00 O ATOM 870 O5' DA G 9 -9.721 22.739 38.335 1.00 65.74 O ATOM 871 C5' DA G 9 -10.311 23.383 37.197 1.00 61.79 C ATOM 872 C4' DA G 9 -9.567 23.026 35.929 1.00 55.66 C ATOM 873 O4' DA G 9 -8.340 23.780 35.824 1.00 61.08 O ATOM 874 C3' DA G 9 -9.178 21.559 35.830 1.00 52.49 C ATOM 875 O3' DA G 9 -9.562 21.091 34.551 1.00 52.00 O ATOM 876 C2' DA G 9 -7.665 21.562 36.004 1.00 50.58 C ATOM 877 C1' DA G 9 -7.271 22.925 35.467 1.00 52.57 C ATOM 878 N9 DA G 9 -6.056 23.503 36.043 1.00 53.97 N ATOM 879 C8 DA G 9 -5.688 23.496 37.364 1.00 58.46 C ATOM 880 N7 DA G 9 -4.566 24.127 37.604 1.00 51.90 N ATOM 881 C5 DA G 9 -4.161 24.566 36.358 1.00 49.16 C ATOM 882 C6 DA G 9 -3.036 25.288 35.942 1.00 57.10 C ATOM 883 N6 DA G 9 -2.076 25.688 36.778 1.00 56.18 N ATOM 884 N1 DA G 9 -2.923 25.582 34.626 1.00 57.55 N ATOM 885 C2 DA G 9 -3.888 25.154 33.793 1.00 56.85 C ATOM 886 N3 DA G 9 -4.991 24.454 34.068 1.00 52.73 N ATOM 887 C4 DA G 9 -5.068 24.191 35.380 1.00 50.27 C ATOM 888 P DA G 10 -9.363 19.553 34.182 1.00 52.10 P ATOM 889 OP1 DA G 10 -10.584 19.096 33.479 1.00 64.56 O ATOM 890 OP2 DA G 10 -8.904 18.832 35.389 1.00 59.82 O ATOM 891 O5' DA G 10 -8.221 19.658 33.089 1.00 62.97 O ATOM 892 C5' DA G 10 -8.345 20.632 32.060 1.00 50.61 C ATOM 893 C4' DA G 10 -7.079 20.692 31.249 1.00 46.36 C ATOM 894 O4' DA G 10 -6.035 21.369 31.978 1.00 45.30 O ATOM 895 C3' DA G 10 -6.508 19.338 30.854 1.00 40.19 C ATOM 896 O3' DA G 10 -5.998 19.490 29.539 1.00 46.47 O ATOM 897 C2' DA G 10 -5.398 19.128 31.860 1.00 38.62 C ATOM 898 C1' DA G 10 -4.899 20.538 32.058 1.00 42.77 C ATOM 899 N9 DA G 10 -4.245 20.796 33.334 1.00 49.28 N ATOM 900 C8 DA G 10 -4.592 20.425 34.622 1.00 55.57 C ATOM 901 N7 DA G 10 -3.756 20.850 35.540 1.00 42.15 N ATOM 902 C5 DA G 10 -2.797 21.546 34.808 1.00 47.04 C ATOM 903 C6 DA G 10 -1.647 22.255 35.187 1.00 50.21 C ATOM 904 N6 DA G 10 -1.234 22.400 36.450 1.00 41.13 N ATOM 905 N1 DA G 10 -0.922 22.829 34.200 1.00 51.35 N ATOM 906 C2 DA G 10 -1.337 22.697 32.931 1.00 52.16 C ATOM 907 N3 DA G 10 -2.398 22.065 32.456 1.00 47.94 N ATOM 908 C4 DA G 10 -3.093 21.509 33.458 1.00 41.32 C ATOM 909 P DT G 11 -5.246 18.282 28.818 1.00 51.87 P ATOM 910 OP1 DT G 11 -5.805 18.246 27.445 1.00 46.46 O ATOM 911 OP2 DT G 11 -5.230 17.048 29.642 1.00 41.64 O ATOM 912 O5' DT G 11 -3.753 18.816 28.769 1.00 49.44 O ATOM 913 C5' DT G 11 -3.466 20.119 28.314 1.00 30.85 C ATOM 914 C4' DT G 11 -1.999 20.215 27.994 1.00 35.06 C ATOM 915 O4' DT G 11 -1.227 20.635 29.138 1.00 30.41 O ATOM 916 C3' DT G 11 -1.388 18.900 27.519 1.00 46.46 C ATOM 917 O3' DT G 11 -0.577 19.218 26.387 1.00 48.39 O ATOM 918 C2' DT G 11 -0.618 18.399 28.735 1.00 31.00 C ATOM 919 C1' DT G 11 -0.223 19.684 29.446 1.00 34.78 C ATOM 920 N1 DT G 11 -0.105 19.611 30.933 1.00 45.68 N ATOM 921 C2 DT G 11 0.937 20.309 31.541 1.00 45.08 C ATOM 922 O2 DT G 11 1.735 21.007 30.925 1.00 42.34 O ATOM 923 N3 DT G 11 1.001 20.170 32.907 1.00 45.83 N ATOM 924 C4 DT G 11 0.150 19.447 33.718 1.00 42.25 C ATOM 925 O4 DT G 11 0.355 19.404 34.932 1.00 35.21 O ATOM 926 C5 DT G 11 -0.943 18.777 33.025 1.00 44.90 C ATOM 927 C7 DT G 11 -1.963 18.024 33.829 1.00 40.69 C ATOM 928 C6 DT G 11 -1.001 18.879 31.684 1.00 38.07 C ATOM 929 P DT G 12 0.232 18.084 25.625 1.00 34.32 P ATOM 930 OP1 DT G 12 0.330 18.584 24.238 1.00 39.79 O ATOM 931 OP2 DT G 12 -0.271 16.712 25.883 1.00 31.40 O ATOM 932 O5' DT G 12 1.659 18.261 26.282 1.00 49.28 O ATOM 933 C5' DT G 12 2.269 19.527 26.246 1.00 38.91 C ATOM 934 C4' DT G 12 3.620 19.470 26.902 1.00 41.22 C ATOM 935 O4' DT G 12 3.499 19.496 28.344 1.00 37.60 O ATOM 936 C3' DT G 12 4.423 18.224 26.549 1.00 44.65 C ATOM 937 O3' DT G 12 5.731 18.643 26.133 1.00 48.71 O ATOM 938 C2' DT G 12 4.428 17.428 27.847 1.00 46.35 C ATOM 939 C1' DT G 12 4.356 18.522 28.899 1.00 40.67 C ATOM 940 N1 DT G 12 3.804 18.111 30.216 1.00 48.87 N ATOM 941 C2 DT G 12 4.377 18.605 31.375 1.00 48.36 C ATOM 942 O2 DT G 12 5.276 19.435 31.384 1.00 47.97 O ATOM 943 N3 DT G 12 3.837 18.102 32.534 1.00 47.96 N ATOM 944 C4 DT G 12 2.784 17.209 32.654 1.00 48.29 C ATOM 945 O4 DT G 12 2.402 16.839 33.771 1.00 41.40 O ATOM 946 C5 DT G 12 2.211 16.779 31.407 1.00 46.24 C ATOM 947 C7 DT G 12 1.043 15.846 31.428 1.00 51.65 C ATOM 948 C6 DT G 12 2.747 17.239 30.271 1.00 47.25 C ATOM 949 P DC G 13 6.892 17.561 25.903 1.00 24.69 P ATOM 950 OP1 DC G 13 7.823 18.052 24.863 1.00 34.16 O ATOM 951 OP2 DC G 13 6.269 16.222 25.764 1.00 30.57 O ATOM 952 O5' DC G 13 7.651 17.646 27.289 1.00 39.96 O ATOM 953 C5' DC G 13 8.148 18.896 27.760 1.00 40.52 C ATOM 954 C4' DC G 13 9.194 18.638 28.808 1.00 37.21 C ATOM 955 O4' DC G 13 8.571 18.380 30.095 1.00 40.71 O ATOM 956 C3' DC G 13 9.931 17.367 28.421 1.00 39.72 C ATOM 957 O3' DC G 13 11.308 17.485 28.606 1.00 45.68 O ATOM 958 C2' DC G 13 9.386 16.311 29.354 1.00 50.56 C ATOM 959 C1' DC G 13 8.948 17.103 30.578 1.00 44.90 C ATOM 960 N1 DC G 13 7.770 16.470 31.189 1.00 42.09 N ATOM 961 C2 DC G 13 7.703 16.337 32.577 1.00 39.50 C ATOM 962 O2 DC G 13 8.551 16.899 33.279 1.00 42.92 O ATOM 963 N3 DC G 13 6.697 15.613 33.118 1.00 43.45 N ATOM 964 C4 DC G 13 5.765 15.066 32.328 1.00 40.98 C ATOM 965 N4 DC G 13 4.812 14.330 32.897 1.00 35.08 N ATOM 966 C5 DC G 13 5.774 15.248 30.918 1.00 43.73 C ATOM 967 C6 DC G 13 6.781 15.954 30.396 1.00 42.78 C ATOM 968 P DT G 14 12.251 16.335 28.046 1.00 38.44 P ATOM 969 OP1 DT G 14 13.131 17.023 27.065 1.00 47.17 O ATOM 970 OP2 DT G 14 11.412 15.212 27.615 1.00 34.45 O ATOM 971 O5' DT G 14 13.057 15.887 29.339 1.00 46.55 O ATOM 972 C5' DT G 14 13.147 16.744 30.473 1.00 51.49 C ATOM 973 C4' DT G 14 13.408 15.922 31.712 1.00 54.67 C ATOM 974 O4' DT G 14 12.175 15.499 32.345 1.00 55.37 O ATOM 975 C3' DT G 14 14.190 14.650 31.410 1.00 54.70 C ATOM 976 O3' DT G 14 15.191 14.422 32.388 1.00 66.93 O ATOM 977 C2' DT G 14 13.144 13.563 31.501 1.00 54.25 C ATOM 978 C1' DT G 14 12.222 14.104 32.576 1.00 51.48 C ATOM 979 N1 DT G 14 10.860 13.590 32.441 1.00 51.99 N ATOM 980 C2 DT G 14 10.174 13.160 33.552 1.00 50.06 C ATOM 981 O2 DT G 14 10.614 13.259 34.684 1.00 56.57 O ATOM 982 N3 DT G 14 8.936 12.620 33.283 1.00 48.14 N ATOM 983 C4 DT G 14 8.328 12.504 32.041 1.00 48.87 C ATOM 984 O4 DT G 14 7.230 11.960 31.940 1.00 46.36 O ATOM 985 C5 DT G 14 9.088 13.044 30.933 1.00 51.92 C ATOM 986 C7 DT G 14 8.492 13.046 29.561 1.00 46.27 C ATOM 987 C6 DT G 14 10.301 13.536 31.187 1.00 51.10 C ATOM 988 P DG G 15 16.389 13.403 32.060 1.00 74.43 P ATOM 989 OP1 DG G 15 17.665 14.155 32.234 1.00 72.40 O ATOM 990 OP2 DG G 15 16.066 12.769 30.755 1.00 68.61 O ATOM 991 O5' DG G 15 16.260 12.285 33.185 1.00 68.92 O ATOM 992 C5' DG G 15 16.226 12.644 34.562 1.00 73.05 C ATOM 993 C4' DG G 15 15.845 11.446 35.396 1.00 76.00 C ATOM 994 O4' DG G 15 14.421 11.208 35.281 1.00 75.60 O ATOM 995 C3' DG G 15 16.537 10.150 34.967 1.00 75.98 C ATOM 996 O3' DG G 15 16.955 9.410 36.119 1.00 72.88 O ATOM 997 C2' DG G 15 15.465 9.420 34.176 1.00 74.45 C ATOM 998 C1' DG G 15 14.192 9.874 34.862 1.00 75.28 C ATOM 999 N9 DG G 15 13.000 9.855 34.022 1.00 72.71 N ATOM 1000 C8 DG G 15 12.912 10.033 32.659 1.00 66.92 C ATOM 1001 N7 DG G 15 11.697 9.892 32.201 1.00 63.64 N ATOM 1002 C5 DG G 15 10.938 9.614 33.335 1.00 71.66 C ATOM 1003 C6 DG G 15 9.552 9.334 33.476 1.00 72.10 C ATOM 1004 O6 DG G 15 8.686 9.256 32.596 1.00 74.09 O ATOM 1005 N1 DG G 15 9.209 9.118 34.810 1.00 69.33 N ATOM 1006 C2 DG G 15 10.086 9.154 35.867 1.00 68.34 C ATOM 1007 N2 DG G 15 9.573 8.931 37.085 1.00 67.90 N ATOM 1008 N3 DG G 15 11.373 9.393 35.743 1.00 68.08 N ATOM 1009 C4 DG G 15 11.728 9.612 34.462 1.00 70.19 C ATOM 1010 P DA G 16 17.293 7.847 35.983 1.00 81.01 P ATOM 1011 OP1 DA G 16 18.360 7.507 36.962 1.00 77.94 O ATOM 1012 OP2 DA G 16 17.488 7.528 34.541 1.00 79.44 O ATOM 1013 O5' DA G 16 15.947 7.170 36.486 1.00 75.14 O ATOM 1014 C5' DA G 16 15.337 7.619 37.687 1.00 71.16 C ATOM 1015 C4' DA G 16 14.331 6.604 38.156 1.00 73.29 C ATOM 1016 O4' DA G 16 13.121 6.698 37.365 1.00 67.80 O ATOM 1017 C3' DA G 16 14.845 5.181 37.990 1.00 75.01 C ATOM 1018 O3' DA G 16 14.395 4.383 39.075 1.00 79.97 O ATOM 1019 C2' DA G 16 14.207 4.729 36.691 1.00 73.23 C ATOM 1020 C1' DA G 16 12.881 5.475 36.695 1.00 67.63 C ATOM 1021 N9 DA G 16 12.413 5.786 35.346 1.00 64.54 N ATOM 1022 C8 DA G 16 13.176 6.151 34.262 1.00 65.57 C ATOM 1023 N7 DA G 16 12.488 6.286 33.154 1.00 64.85 N ATOM 1024 C5 DA G 16 11.183 6.010 33.539 1.00 63.14 C ATOM 1025 C6 DA G 16 9.976 5.967 32.822 1.00 60.77 C ATOM 1026 N6 DA G 16 9.894 6.187 31.510 1.00 61.16 N ATOM 1027 N1 DA G 16 8.846 5.674 33.506 1.00 56.61 N ATOM 1028 C2 DA G 16 8.939 5.428 34.820 1.00 53.92 C ATOM 1029 N3 DA G 16 10.015 5.425 35.601 1.00 54.97 N ATOM 1030 C4 DA G 16 11.117 5.725 34.892 1.00 60.51 C ATOM 1031 P DC G 17 15.084 2.965 39.348 1.00 80.57 P ATOM 1032 OP1 DC G 17 15.634 2.984 40.732 1.00 80.61 O ATOM 1033 OP2 DC G 17 15.969 2.636 38.200 1.00 75.16 O ATOM 1034 O5' DC G 17 13.850 1.974 39.309 1.00 79.40 O ATOM 1035 C5' DC G 17 12.674 2.261 40.053 1.00 77.75 C ATOM 1036 C4' DC G 17 11.570 1.348 39.593 1.00 76.06 C ATOM 1037 O4' DC G 17 11.008 1.827 38.346 1.00 73.05 O ATOM 1038 C3' DC G 17 12.127 -0.041 39.303 1.00 77.21 C ATOM 1039 O3' DC G 17 11.254 -1.039 39.800 1.00 81.72 O ATOM 1040 C2' DC G 17 12.210 -0.088 37.789 1.00 74.00 C ATOM 1041 C1' DC G 17 11.052 0.796 37.381 1.00 69.98 C ATOM 1042 N1 DC G 17 11.203 1.413 36.058 1.00 69.04 N ATOM 1043 C2 DC G 17 10.114 1.409 35.190 1.00 67.66 C ATOM 1044 O2 DC G 17 9.050 0.911 35.573 1.00 70.98 O ATOM 1045 N3 DC G 17 10.248 1.942 33.956 1.00 64.24 N ATOM 1046 C4 DC G 17 11.416 2.466 33.579 1.00 65.63 C ATOM 1047 N4 DC G 17 11.508 2.967 32.345 1.00 64.85 N ATOM 1048 C5 DC G 17 12.541 2.497 34.449 1.00 69.21 C ATOM 1049 C6 DC G 17 12.391 1.967 35.671 1.00 73.63 C ATOM 1050 P DA G 18 11.492 -2.561 39.384 1.00 84.07 P ATOM 1051 OP1 DA G 18 10.898 -3.387 40.467 1.00 85.13 O ATOM 1052 OP2 DA G 18 12.923 -2.726 39.025 1.00 74.96 O ATOM 1053 O5' DA G 18 10.626 -2.708 38.053 1.00 81.11 O ATOM 1054 C5' DA G 18 9.212 -2.533 38.082 1.00 80.23 C ATOM 1055 C4' DA G 18 8.592 -3.117 36.835 1.00 82.56 C ATOM 1056 O4' DA G 18 8.774 -2.198 35.728 1.00 85.31 O ATOM 1057 C3' DA G 18 9.194 -4.455 36.391 1.00 84.14 C ATOM 1058 O3' DA G 18 8.162 -5.353 35.945 1.00 92.06 O ATOM 1059 C2' DA G 18 10.082 -4.062 35.223 1.00 80.46 C ATOM 1060 C1' DA G 18 9.305 -2.903 34.622 1.00 76.34 C ATOM 1061 N9 DA G 18 10.110 -1.978 33.826 1.00 69.93 N ATOM 1062 C8 DA G 18 11.306 -1.393 34.157 1.00 69.12 C ATOM 1063 N7 DA G 18 11.817 -0.656 33.202 1.00 66.20 N ATOM 1064 C5 DA G 18 10.889 -0.757 32.175 1.00 65.94 C ATOM 1065 C6 DA G 18 10.855 -0.219 30.877 1.00 67.13 C ATOM 1066 N6 DA G 18 11.824 0.546 30.369 1.00 67.98 N ATOM 1067 N1 DA G 18 9.780 -0.501 30.106 1.00 63.65 N ATOM 1068 C2 DA G 18 8.820 -1.280 30.613 1.00 67.26 C ATOM 1069 N3 DA G 18 8.743 -1.855 31.816 1.00 63.96 N ATOM 1070 C4 DA G 18 9.822 -1.549 32.555 1.00 65.75 C ATOM 1071 P DC G 19 8.394 -6.950 36.021 1.00 95.98 P ATOM 1072 OP1 DC G 19 7.203 -7.548 36.689 1.00 87.09 O ATOM 1073 OP2 DC G 19 9.760 -7.206 36.571 1.00 88.24 O ATOM 1074 O5' DC G 19 8.416 -7.417 34.489 1.00 91.24 O ATOM 1075 C5' DC G 19 7.204 -7.444 33.724 1.00 91.65 C ATOM 1076 C4' DC G 19 7.505 -7.738 32.249 1.00 92.89 C ATOM 1077 O4' DC G 19 8.205 -6.611 31.662 1.00 90.82 O ATOM 1078 C3' DC G 19 8.503 -8.921 32.177 1.00 96.50 C ATOM 1079 O3' DC G 19 8.669 -9.459 31.051 1.00101.80 O ATOM 1080 C2' DC G 19 9.778 -8.281 31.876 1.00 95.43 C ATOM 1081 C1' DC G 19 9.395 -7.048 31.058 1.00 92.94 C ATOM 1082 N1 DC G 19 10.349 -5.911 31.021 1.00 92.00 N ATOM 1083 C2 DC G 19 10.513 -5.203 29.820 1.00 96.24 C ATOM 1084 O2 DC G 19 9.833 -5.523 28.834 1.00 99.72 O ATOM 1085 N3 DC G 19 11.407 -4.188 29.765 1.00 93.20 N ATOM 1086 C4 DC G 19 12.119 -3.871 30.844 1.00 92.93 C ATOM 1087 N4 DC G 19 13.005 -2.874 30.737 1.00 91.25 N ATOM 1088 C5 DC G 19 11.958 -4.562 32.082 1.00 92.81 C ATOM 1089 C6 DC G 19 11.068 -5.564 32.125 1.00 91.44 C ATOM 1090 P DG G 20 7.717 -10.259 30.350 1.00102.32 P ATOM 1091 OP1 DG G 20 6.305 -10.252 30.017 1.00 97.90 O ATOM 1092 OP2 DG G 20 8.357 -11.196 31.308 1.00 97.65 O ATOM 1093 O5' DG G 20 8.415 -9.910 29.095 1.00105.20 O ATOM 1094 C5' DG G 20 9.398 -8.754 29.131 1.00110.59 C ATOM 1095 C4' DG G 20 9.838 -8.637 27.729 1.00110.90 C ATOM 1096 O4' DG G 20 11.128 -8.096 27.839 1.00110.97 O ATOM 1097 C3' DG G 20 10.029 -10.160 27.582 1.00111.85 C ATOM 1098 O3' DG G 20 10.459 -10.586 26.358 1.00111.85 O ATOM 1099 C2' DG G 20 11.154 -10.320 28.592 1.00114.60 C ATOM 1100 C1' DG G 20 12.041 -9.125 28.263 1.00113.54 C ATOM 1101 N9 DG G 20 12.856 -8.635 29.381 1.00113.85 N ATOM 1102 C8 DG G 20 13.037 -9.238 30.607 1.00116.06 C ATOM 1103 N7 DG G 20 13.832 -8.566 31.397 1.00113.63 N ATOM 1104 C5 DG G 20 14.197 -7.456 30.651 1.00114.19 C ATOM 1105 C6 DG G 20 15.051 -6.367 30.986 1.00116.73 C ATOM 1106 O6 DG G 20 15.649 -6.149 32.041 1.00117.66 O ATOM 1107 N1 DG G 20 15.155 -5.492 29.945 1.00115.55 N ATOM 1108 C2 DG G 20 14.525 -5.655 28.778 1.00116.40 C ATOM 1109 N2 DG G 20 14.808 -4.659 27.945 1.00118.80 N ATOM 1110 N3 DG G 20 13.730 -6.617 28.420 1.00113.49 N ATOM 1111 C4 DG G 20 13.602 -7.487 29.407 1.00113.17 C TER 1112 DG G 20 MASTER 359 0 0 5 3 0 0 6 1110 2 0 9 END
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Related entries of code: 4r22
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4qju
RCSB PDB
PDBbind
21-mer DNA
Entry Information
PDB ID
4r22
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
HTH-type transcriptional regulator TnrA
Ligand Name
21-mer DNA
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=11.6nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Genes Dev. Vol. 29: pp. 451-464
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):
G2RUZ1
Entrez Gene ID
NCBI Entrez Gene ID:
48012544
61759819
ASD
Information of known allosteric effects of PDB entries
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