Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 13-JUL-01 1JKR TITLE TESTING THE WATER-MEDIATED HIN RECOMBINASE DNA RECOGNITION TITLE 2 BY SYSTEMATIC MUTATIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*CP*AP*AP*GP*A)- COMPND 3 3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-D(*AP*TP*CP*TP*TP*GP*TP*CP*AP*AP*AP*AP*AP*C)- COMPND 8 3'; COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: DNA-INVERTASE HIN; COMPND 13 CHAIN: C; COMPND 14 FRAGMENT: RESIDUES 139 TO 190; COMPND 15 SYNONYM: HIN RECOMBINASE; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS WATER-MEDIATED RECOGNITION, PROTEIN-DNA COMPLEX, HIN KEYWDS 2 RECOMBINASE, T11C MUTANT, DNA BINDING PROTEIN/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR T.K.CHIU,C.SOHN,R.C.JOHNSON,R.E.DICKERSON REVDAT 2 24-FEB-09 1JKR 1 VERSN REVDAT 1 22-FEB-02 1JKR 0 JRNL AUTH T.K.CHIU,C.SOHN,R.E.DICKERSON,R.C.JOHNSON JRNL TITL TESTING WATER-MEDIATED DNA RECOGNITION BY THE HIN JRNL TITL 2 RECOMBINASE. JRNL REF EMBO J. V. 21 801 2002 JRNL REFN ISSN 0261-4189 JRNL PMID 11847127 JRNL DOI 10.1093/EMBOJ/21.4.801 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.K.CHIU REMARK 1 TITL HOW HIN RECOMBINASE, FIS AND CATIONS BIND DNA. REMARK 1 TITL 2 CHAPTER 4. WATER-MEDIATED SEQUENCE-SPECIFIC REMARK 1 TITL 3 RECOGNITION BY HIN RECOMBINASE REMARK 1 REF THESIS 145 2001 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.A.FENG,R.C.JOHNSON,R.E.DICKERSON REMARK 1 TITL HIN RECOMBINASE BOUND TO DNA: THE ORIGIN OF REMARK 1 TITL 2 SPECIFICITY IN MAJOR AND MINOR GROOVE INTERACTIONS REMARK 1 REF SCIENCE V. 263 348 1994 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. 2.28 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 : MLF REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.2 REMARK 3 NUMBER OF REFLECTIONS : 7102 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) : 0.269 REMARK 3 FREE R VALUE : 0.325 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.280 REMARK 3 FREE R VALUE TEST SET COUNT : 707 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 : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.28 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.38 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 72.14 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 610 REMARK 3 BIN R VALUE (WORKING SET) : 0.4536 REMARK 3 BIN FREE R VALUE : 0.4437 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.04 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 66 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 : 353 REMARK 3 NUCLEIC ACID ATOMS : 576 REMARK 3 HETEROGEN ATOMS : 8 REMARK 3 SOLVENT ATOMS : 2 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 69.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 60.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 15.10700 REMARK 3 B22 (A**2) : 2.25100 REMARK 3 B33 (A**2) : -17.35900 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) : 0.47 REMARK 3 ESD FROM SIGMAA (A) : 0.80 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) : 0.55 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.66 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.013 REMARK 3 BOND ANGLES (DEGREES) : 1.72 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.44 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.88 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC_FIXED_ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 8.510 ; 4.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 11.440; 6.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 11.620; 6.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 15.660; 7.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.25 REMARK 3 BSOL : 100.00 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 : ION.PARAM REMARK 3 PARAMETER FILE 5 : 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 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JKR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013885. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-AUG-97 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 8.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : CHESS REMARK 200 BEAMLINE : A1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.908 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7102 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280 REMARK 200 RESOLUTION RANGE LOW (A) : 24.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.2 REMARK 200 DATA REDUNDANCY : 17.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.89000 REMARK 200
FOR THE DATA SET : 15.6800 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38 REMARK 200 COMPLETENESS FOR SHELL (%) : 72.1 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.25200 REMARK 200
FOR SHELL : 2.490 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MOLECULAR REPLACEMENT WITH 1IJW HAVING REMARK 200 THE PROPER DNA SUBSTITUTIONS AS THE REMARK 200 STARTING MODEL. REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: 1IJW REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.78 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP VAPOR DIFFUSION AT 4C, REMARK 280 WITH INITIAL CONCENTRATION IN DROP OF 0.10 MM DNA, 0.06 MM REMARK 280 HIN, 10 MM TRIS (PH 8.5), 10 MM CACL2, 23 MM NACL, 2.5% V/V REMARK 280 PEG400, AND 1.56 MM NA CACODYLATE. RESERVOIR SOLUTION CONTAINS REMARK 280 100 MM TRIS (PH 8.5), 100 MM CACL2, 100 MM NACL, AND 25% REMARK 280 PEG400. CONCENTRATION OF PEG400 IN RESERVOIR SOLUTION WAS REMARK 280 INCREASED IN 5% INCREMENTS TO 35%., PH 8.50, VAPOR DIFFUSION, REMARK 280 HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 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 22.43250 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 22.43250 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 43.04350 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.35400 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 43.04350 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.35400 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 22.43250 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 43.04350 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.35400 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 22.43250 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 43.04350 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.35400 REMARK 290 SMTRY3 8 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ILE C 185 REMARK 465 LYS C 186 REMARK 465 LYS C 187 REMARK 465 ARG C 188 REMARK 465 MET C 189 REMARK 465 ASN C 190 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS C 146 CE NZ REMARK 470 HIS C 147 CG ND1 CD2 CE1 NE2 REMARK 470 GLU C 150 CG CD OE1 OE2 REMARK 470 GLU C 157 CG CD OE1 OE2 REMARK 470 LYS C 158 CG CD CE NZ 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 DT A 8 O5' - P - OP2 ANGL. DEV. = 8.6 DEGREES REMARK 500 DA B 16 C5' - C4' - C3' ANGL. DEV. = 10.8 DEGREES REMARK 500 DT B 17 C5' - C4' - C3' ANGL. DEV. = 7.6 DEGREES REMARK 500 DA B 28 O4' - C1' - N9 ANGL. DEV. = 2.9 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 ASN C 145 -135.49 -65.63 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 DT A 7 0.09 SIDE_CHAIN REMARK 500 DC A 11 0.08 SIDE_CHAIN REMARK 500 DA A 15 0.09 SIDE_CHAIN REMARK 500 DT B 20 0.07 SIDE_CHAIN REMARK 500 DA B 28 0.10 SIDE_CHAIN REMARK 500 TYR C 179 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TRS A 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HCR RELATED DB: PDB REMARK 900 NATIVE WILD-TYPE HIN RECOMBINASE DNA-BINDING DOMAIN BOUND REMARK 900 TO UNDERIVATIZED HIXL HALF-SITE. REMARK 900 RELATED ID: 1IJW RELATED DB: PDB REMARK 900 FORM1 BR18 DERIVATIVE REMARK 900 RELATED ID: 1JJ6 RELATED DB: PDB REMARK 900 FORM1 I5 DERIVATIVE REMARK 900 RELATED ID: 1JJ8 RELATED DB: PDB REMARK 900 FORM2 I4 DERIVATIVE REMARK 900 RELATED ID: 1JKO RELATED DB: PDB REMARK 900 FORM1 A10G MUTANT REMARK 900 RELATED ID: 1JKP RELATED DB: PDB REMARK 900 FORM1 T11G MUTANT REMARK 900 RELATED ID: 1JKQ RELATED DB: PDB REMARK 900 FORM1 G9T MUTANT DBREF 1JKR C 139 190 UNP P03013 HIN_SALTY 139 190 DBREF 1JKR A 2 15 PDB 1JKR 1JKR 2 15 DBREF 1JKR B 16 29 PDB 1JKR 1JKR 16 29 SEQRES 1 A 14 DT DG DT DT DT DT DT DG DA DC DA DA DG SEQRES 2 A 14 DA SEQRES 1 B 14 DA DT DC DT DT DG DT DC DA DA DA DA DA SEQRES 2 B 14 DC SEQRES 1 C 52 GLY ARG PRO ARG ALA ILE ASN LYS HIS GLU GLN GLU GLN SEQRES 2 C 52 ILE SER ARG LEU LEU GLU LYS GLY HIS PRO ARG GLN GLN SEQRES 3 C 52 LEU ALA ILE ILE PHE GLY ILE GLY VAL SER THR LEU TYR SEQRES 4 C 52 ARG TYR PHE PRO ALA SER SER ILE LYS LYS ARG MET ASN HET TRS A 204 8 HETNAM TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL HETSYN TRS TRIS BUFFER FORMUL 4 TRS C4 H12 N O3 1+ FORMUL 5 HOH *2(H2 O) HELIX 1 1 LYS C 146 LYS C 158 1 13 HELIX 2 2 PRO C 161 PHE C 169 1 9 HELIX 3 3 GLY C 172 PHE C 180 1 9 SITE 1 AC1 4 DG A 9 DA A 10 DT B 22 DA B 25 CRYST1 86.087 82.708 44.865 90.00 90.00 90.00 C 2 2 21 8 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 0.011616 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012091 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022289 0.00000 ATOM 1 O5' DT A 2 -0.638 33.850 6.120 1.00 83.61 O ATOM 2 C5' DT A 2 -0.213 32.484 6.015 1.00 83.57 C ATOM 3 C4' DT A 2 0.151 31.825 7.331 1.00 83.54 C ATOM 4 O4' DT A 2 0.153 30.392 7.107 1.00 83.55 O ATOM 5 C3' DT A 2 1.518 32.154 7.949 1.00 83.46 C ATOM 6 O3' DT A 2 1.424 32.099 9.386 1.00 83.59 O ATOM 7 C2' DT A 2 2.402 31.061 7.377 1.00 83.56 C ATOM 8 C1' DT A 2 1.464 29.860 7.289 1.00 83.53 C ATOM 9 N1 DT A 2 1.747 28.898 6.173 1.00 86.90 N ATOM 10 C2 DT A 2 1.544 27.569 6.441 1.00 83.20 C ATOM 11 O2 DT A 2 1.105 27.181 7.515 1.00 81.41 O ATOM 12 N3 DT A 2 1.856 26.707 5.397 1.00 82.97 N ATOM 13 C4 DT A 2 2.311 27.051 4.119 1.00 84.22 C ATOM 14 O4 DT A 2 2.536 26.161 3.258 1.00 86.75 O ATOM 15 C5 DT A 2 2.476 28.477 3.900 1.00 84.04 C ATOM 16 C7 DT A 2 2.926 28.955 2.549 1.00 85.52 C ATOM 17 C6 DT A 2 2.201 29.313 4.928 1.00 83.36 C ATOM 18 P DG A 3 2.744 31.902 10.303 1.00 83.93 P ATOM 19 OP1 DG A 3 2.731 32.942 11.392 1.00 83.66 O ATOM 20 OP2 DG A 3 3.980 31.703 9.465 1.00 83.68 O ATOM 21 O5' DG A 3 2.453 30.555 11.113 1.00 83.54 O ATOM 22 C5' DG A 3 1.495 30.577 12.148 1.00 70.03 C ATOM 23 C4' DG A 3 1.635 29.391 13.067 1.00 63.84 C ATOM 24 O4' DG A 3 1.413 28.226 12.267 1.00 44.50 O ATOM 25 C3' DG A 3 3.012 29.219 13.677 1.00 63.26 C ATOM 26 O3' DG A 3 2.895 28.621 14.960 1.00 69.21 O ATOM 27 C2' DG A 3 3.668 28.213 12.767 1.00 64.34 C ATOM 28 C1' DG A 3 2.501 27.361 12.328 1.00 42.25 C ATOM 29 N9 DG A 3 2.724 26.869 10.982 1.00 42.89 N ATOM 30 C8 DG A 3 3.109 27.621 9.903 1.00 44.89 C ATOM 31 N7 DG A 3 3.373 26.901 8.846 1.00 50.49 N ATOM 32 C5 DG A 3 3.103 25.596 9.243 1.00 45.91 C ATOM 33 C6 DG A 3 3.213 24.373 8.524 1.00 46.26 C ATOM 34 O6 DG A 3 3.588 24.196 7.338 1.00 42.40 O ATOM 35 N1 DG A 3 2.838 23.283 9.314 1.00 41.23 N ATOM 36 C2 DG A 3 2.405 23.356 10.619 1.00 40.22 C ATOM 37 N2 DG A 3 2.085 22.190 11.209 1.00 41.45 N ATOM 38 N3 DG A 3 2.295 24.492 11.299 1.00 43.01 N ATOM 39 C4 DG A 3 2.667 25.564 10.553 1.00 43.83 C ATOM 40 P DT A 4 4.211 28.442 15.858 1.00 71.84 P ATOM 41 OP1 DT A 4 4.112 29.081 17.196 1.00 80.54 O ATOM 42 OP2 DT A 4 5.277 28.845 14.917 1.00 67.64 O ATOM 43 O5' DT A 4 4.301 26.888 16.150 1.00 64.75 O ATOM 44 C5' DT A 4 3.292 26.265 16.909 1.00 56.78 C ATOM 45 C4' DT A 4 3.410 24.767 16.798 1.00 55.87 C ATOM 46 O4' DT A 4 3.513 24.430 15.398 1.00 47.72 O ATOM 47 C3' DT A 4 4.639 24.175 17.466 1.00 57.83 C ATOM 48 O3' DT A 4 4.237 23.093 18.294 1.00 75.59 O ATOM 49 C2' DT A 4 5.515 23.722 16.311 1.00 58.62 C ATOM 50 C1' DT A 4 4.527 23.490 15.184 1.00 44.71 C ATOM 51 N1 DT A 4 5.013 23.695 13.792 1.00 42.76 N ATOM 52 C2 DT A 4 5.038 22.608 12.924 1.00 46.06 C ATOM 53 O2 DT A 4 4.672 21.478 13.238 1.00 50.51 O ATOM 54 N3 DT A 4 5.497 22.896 11.656 1.00 43.09 N ATOM 55 C4 DT A 4 5.902 24.122 11.175 1.00 40.27 C ATOM 56 O4 DT A 4 6.276 24.251 9.996 1.00 43.13 O ATOM 57 C5 DT A 4 5.843 25.191 12.115 1.00 40.68 C ATOM 58 C7 DT A 4 6.259 26.539 11.640 1.00 40.35 C ATOM 59 C6 DT A 4 5.414 24.941 13.367 1.00 35.12 C ATOM 60 P DT A 5 5.188 22.638 19.496 1.00 64.58 P ATOM 61 OP1 DT A 5 4.515 22.183 20.741 1.00 56.60 O ATOM 62 OP2 DT A 5 6.167 23.767 19.571 1.00 81.41 O ATOM 63 O5' DT A 5 5.771 21.305 18.866 1.00 53.75 O ATOM 64 C5' DT A 5 4.879 20.351 18.360 1.00 43.59 C ATOM 65 C4' DT A 5 5.576 19.379 17.442 1.00 44.59 C ATOM 66 O4' DT A 5 5.850 19.961 16.144 1.00 50.48 O ATOM 67 C3' DT A 5 6.884 18.776 17.944 1.00 51.38 C ATOM 68 O3' DT A 5 6.783 17.346 17.987 1.00 57.19 O ATOM 69 C2' DT A 5 7.900 19.221 16.897 1.00 64.84 C ATOM 70 C1' DT A 5 7.054 19.418 15.648 1.00 41.36 C ATOM 71 N1 DT A 5 7.605 20.375 14.660 1.00 47.14 N ATOM 72 C2 DT A 5 7.675 19.980 13.342 1.00 38.34 C ATOM 73 O2 DT A 5 7.239 18.923 12.950 1.00 41.31 O ATOM 74 N3 DT A 5 8.262 20.900 12.489 1.00 38.26 N ATOM 75 C4 DT A 5 8.729 22.176 12.821 1.00 40.77 C ATOM 76 O4 DT A 5 9.250 22.892 11.963 1.00 53.32 O ATOM 77 C5 DT A 5 8.556 22.554 14.203 1.00 39.98 C ATOM 78 C7 DT A 5 8.928 23.946 14.617 1.00 35.42 C ATOM 79 C6 DT A 5 8.041 21.637 15.054 1.00 49.70 C ATOM 80 P DT A 6 7.579 16.521 19.124 1.00 78.46 P ATOM 81 OP1 DT A 6 6.631 15.647 19.871 1.00 89.49 O ATOM 82 OP2 DT A 6 8.450 17.450 19.881 1.00 67.17 O ATOM 83 O5' DT A 6 8.469 15.571 18.221 1.00 74.71 O ATOM 84 C5' DT A 6 7.850 14.891 17.141 1.00 85.65 C ATOM 85 C4' DT A 6 8.848 14.597 16.049 1.00 81.26 C ATOM 86 O4' DT A 6 9.136 15.760 15.237 1.00 74.26 O ATOM 87 C3' DT A 6 10.193 14.056 16.513 1.00 85.80 C ATOM 88 O3' DT A 6 10.528 12.950 15.667 1.00 89.42 O ATOM 89 C2' DT A 6 11.130 15.235 16.281 1.00 80.09 C ATOM 90 C1' DT A 6 10.526 15.841 15.031 1.00 47.39 C ATOM 91 N1 DT A 6 10.849 17.239 14.751 1.00 34.95 N ATOM 92 C2 DT A 6 10.936 17.613 13.426 1.00 49.62 C ATOM 93 O2 DT A 6 10.776 16.820 12.494 1.00 48.99 O ATOM 94 N3 DT A 6 11.217 18.952 13.231 1.00 36.75 N ATOM 95 C4 DT A 6 11.418 19.907 14.217 1.00 40.06 C ATOM 96 O4 DT A 6 11.665 21.060 13.916 1.00 44.15 O ATOM 97 C5 DT A 6 11.319 19.441 15.560 1.00 34.18 C ATOM 98 C7 DT A 6 11.523 20.425 16.662 1.00 39.31 C ATOM 99 C6 DT A 6 11.044 18.147 15.769 1.00 33.82 C ATOM 100 P DT A 7 11.701 11.942 16.095 1.00 79.56 P ATOM 101 OP1 DT A 7 11.182 10.564 15.907 1.00 80.90 O ATOM 102 OP2 DT A 7 12.199 12.364 17.426 1.00 88.41 O ATOM 103 O5' DT A 7 12.804 12.203 14.974 1.00 46.96 O ATOM 104 C5' DT A 7 12.478 11.928 13.618 1.00 74.88 C ATOM 105 C4' DT A 7 13.499 12.529 12.686 1.00 73.76 C ATOM 106 O4' DT A 7 13.397 13.971 12.650 1.00 63.84 O ATOM 107 C3' DT A 7 14.964 12.195 12.973 1.00 69.35 C ATOM 108 O3' DT A 7 15.521 11.784 11.736 1.00 53.40 O ATOM 109 C2' DT A 7 15.547 13.520 13.419 1.00 69.64 C ATOM 110 C1' DT A 7 14.693 14.505 12.635 1.00 61.55 C ATOM 111 N1 DT A 7 14.639 15.868 13.185 1.00 48.35 N ATOM 112 C2 DT A 7 14.644 16.903 12.282 1.00 51.10 C ATOM 113 O2 DT A 7 14.505 16.745 11.071 1.00 52.14 O ATOM 114 N3 DT A 7 14.804 18.136 12.842 1.00 33.46 N ATOM 115 C4 DT A 7 14.924 18.435 14.179 1.00 43.89 C ATOM 116 O4 DT A 7 15.162 19.594 14.531 1.00 53.57 O ATOM 117 C5 DT A 7 14.785 17.322 15.069 1.00 29.15 C ATOM 118 C7 DT A 7 14.794 17.577 16.537 1.00 34.98 C ATOM 119 C6 DT A 7 14.650 16.102 14.540 1.00 39.63 C ATOM 120 P DT A 8 17.041 11.328 11.645 1.00 54.87 P ATOM 121 OP1 DT A 8 17.038 10.048 10.882 1.00 43.11 O ATOM 122 OP2 DT A 8 17.661 11.389 13.028 1.00 37.87 O ATOM 123 O5' DT A 8 17.479 12.383 10.555 1.00 54.11 O ATOM 124 C5' DT A 8 16.641 12.440 9.412 1.00 49.21 C ATOM 125 C4' DT A 8 17.002 13.592 8.518 1.00 43.40 C ATOM 126 O4' DT A 8 16.858 14.816 9.258 1.00 42.33 O ATOM 127 C3' DT A 8 18.433 13.558 8.036 1.00 32.58 C ATOM 128 O3' DT A 8 18.472 13.791 6.643 1.00 38.18 O ATOM 129 C2' DT A 8 19.091 14.678 8.810 1.00 46.72 C ATOM 130 C1' DT A 8 17.966 15.642 9.058 1.00 23.84 C ATOM 131 N1 DT A 8 18.115 16.378 10.290 1.00 21.39 N ATOM 132 C2 DT A 8 18.121 17.748 10.266 1.00 18.01 C ATOM 133 O2 DT A 8 18.072 18.389 9.223 1.00 31.54 O ATOM 134 N3 DT A 8 18.191 18.336 11.497 1.00 22.13 N ATOM 135 C4 DT A 8 18.265 17.690 12.703 1.00 22.07 C ATOM 136 O4 DT A 8 18.288 18.324 13.743 1.00 36.77 O ATOM 137 C5 DT A 8 18.293 16.264 12.641 1.00 31.32 C ATOM 138 C7 DT A 8 18.410 15.503 13.918 1.00 33.64 C ATOM 139 C6 DT A 8 18.215 15.675 11.455 1.00 18.39 C ATOM 140 P DG A 9 19.720 13.220 5.808 1.00 46.73 P ATOM 141 OP1 DG A 9 19.392 12.772 4.412 1.00 53.73 O ATOM 142 OP2 DG A 9 20.367 12.292 6.775 1.00 36.88 O ATOM 143 O5' DG A 9 20.686 14.470 5.697 1.00 58.34 O ATOM 144 C5' DG A 9 20.271 15.650 5.030 1.00 63.87 C ATOM 145 C4' DG A 9 21.217 16.782 5.353 1.00 49.20 C ATOM 146 O4' DG A 9 21.097 17.168 6.743 1.00 53.55 O ATOM 147 C3' DG A 9 22.686 16.453 5.155 1.00 40.81 C ATOM 148 O3' DG A 9 23.305 17.591 4.576 1.00 64.17 O ATOM 149 C2' DG A 9 23.170 16.245 6.578 1.00 27.40 C ATOM 150 C1' DG A 9 22.363 17.269 7.307 1.00 18.94 C ATOM 151 N9 DG A 9 22.234 17.020 8.721 1.00 24.64 N ATOM 152 C8 DG A 9 22.345 15.815 9.334 1.00 21.45 C ATOM 153 N7 DG A 9 22.245 15.900 10.637 1.00 42.31 N ATOM 154 C5 DG A 9 22.042 17.248 10.884 1.00 29.39 C ATOM 155 C6 DG A 9 21.889 17.930 12.100 1.00 30.12 C ATOM 156 O6 DG A 9 21.948 17.487 13.228 1.00 63.84 O ATOM 157 N1 DG A 9 21.680 19.268 11.919 1.00 27.43 N ATOM 158 C2 DG A 9 21.664 19.888 10.715 1.00 40.68 C ATOM 159 N2 DG A 9 21.464 21.194 10.767 1.00 47.78 N ATOM 160 N3 DG A 9 21.835 19.275 9.550 1.00 32.32 N ATOM 161 C4 DG A 9 22.012 17.955 9.717 1.00 21.28 C ATOM 162 P DA A 10 24.567 17.408 3.601 1.00 81.37 P ATOM 163 OP1 DA A 10 24.128 17.308 2.171 1.00 79.18 O ATOM 164 OP2 DA A 10 25.438 16.343 4.195 1.00 76.35 O ATOM 165 O5' DA A 10 25.327 18.797 3.763 1.00 89.32 O ATOM 166 C5' DA A 10 24.635 20.033 3.652 1.00 70.88 C ATOM 167 C4' DA A 10 25.225 21.035 4.615 1.00 71.49 C ATOM 168 O4' DA A 10 24.921 20.658 5.982 1.00 64.90 O ATOM 169 C3' DA A 10 26.743 21.176 4.548 1.00 75.51 C ATOM 170 O3' DA A 10 27.073 22.562 4.460 1.00 97.93 O ATOM 171 C2' DA A 10 27.222 20.567 5.861 1.00 56.53 C ATOM 172 C1' DA A 10 26.057 20.816 6.796 1.00 36.15 C ATOM 173 N9 DA A 10 25.937 19.860 7.884 1.00 29.88 N ATOM 174 C8 DA A 10 25.992 18.494 7.779 1.00 31.50 C ATOM 175 N7 DA A 10 25.825 17.866 8.928 1.00 42.28 N ATOM 176 C5 DA A 10 25.651 18.892 9.846 1.00 29.02 C ATOM 177 C6 DA A 10 25.422 18.893 11.240 1.00 39.42 C ATOM 178 N6 DA A 10 25.285 17.793 11.976 1.00 32.66 N ATOM 179 N1 DA A 10 25.321 20.083 11.860 1.00 39.61 N ATOM 180 C2 DA A 10 25.400 21.191 11.116 1.00 47.16 C ATOM 181 N3 DA A 10 25.585 21.321 9.792 1.00 39.52 N ATOM 182 C4 DA A 10 25.721 20.125 9.214 1.00 27.03 C ATOM 183 P DC A 11 28.603 23.011 4.320 1.00 88.39 P ATOM 184 OP1 DC A 11 28.528 24.266 3.541 1.00 86.66 O ATOM 185 OP2 DC A 11 29.407 21.885 3.798 1.00 84.35 O ATOM 186 O5' DC A 11 29.009 23.298 5.835 1.00 57.98 O ATOM 187 C5' DC A 11 28.178 24.126 6.633 1.00 62.73 C ATOM 188 C4' DC A 11 28.766 24.282 8.011 1.00 79.29 C ATOM 189 O4' DC A 11 28.328 23.221 8.902 1.00 75.02 O ATOM 190 C3' DC A 11 30.292 24.244 8.013 1.00 91.06 C ATOM 191 O3' DC A 11 30.822 25.244 8.895 1.00 96.04 O ATOM 192 C2' DC A 11 30.581 22.867 8.578 1.00 79.09 C ATOM 193 C1' DC A 11 29.454 22.713 9.578 1.00 53.36 C ATOM 194 N1 DC A 11 29.218 21.309 9.941 1.00 37.72 N ATOM 195 C2 DC A 11 28.848 20.964 11.293 1.00 51.93 C ATOM 196 O2 DC A 11 28.508 21.859 12.102 1.00 47.97 O ATOM 197 N3 DC A 11 28.836 19.663 11.651 1.00 44.39 N ATOM 198 C4 DC A 11 29.078 18.720 10.731 1.00 51.06 C ATOM 199 N4 DC A 11 29.056 17.454 11.128 1.00 49.36 N ATOM 200 C5 DC A 11 29.353 19.038 9.354 1.00 40.57 C ATOM 201 C6 DC A 11 29.416 20.331 9.010 1.00 35.72 C ATOM 202 P DA A 12 32.370 25.685 8.781 1.00 90.66 P ATOM 203 OP1 DA A 12 32.437 26.681 7.669 1.00 62.24 O ATOM 204 OP2 DA A 12 33.262 24.491 8.769 1.00 84.92 O ATOM 205 O5' DA A 12 32.627 26.375 10.181 1.00 55.13 O ATOM 206 C5' DA A 12 31.558 26.521 11.083 1.00 65.63 C ATOM 207 C4' DA A 12 31.946 25.979 12.432 1.00 64.46 C ATOM 208 O4' DA A 12 31.641 24.573 12.565 1.00 75.55 O ATOM 209 C3' DA A 12 33.430 26.127 12.702 1.00 71.79 C ATOM 210 O3' DA A 12 33.626 26.584 14.029 1.00 68.57 O ATOM 211 C2' DA A 12 33.961 24.717 12.547 1.00 83.92 C ATOM 212 C1' DA A 12 32.792 23.871 12.997 1.00 65.27 C ATOM 213 N9 DA A 12 32.765 22.557 12.365 1.00 49.75 N ATOM 214 C8 DA A 12 33.031 22.254 11.052 1.00 44.70 C ATOM 215 N7 DA A 12 32.903 20.984 10.768 1.00 50.02 N ATOM 216 C5 DA A 12 32.523 20.414 11.973 1.00 46.87 C ATOM 217 C6 DA A 12 32.221 19.093 12.328 1.00 48.40 C ATOM 218 N6 DA A 12 32.287 18.076 11.463 1.00 34.46 N ATOM 219 N1 DA A 12 31.863 18.847 13.612 1.00 51.20 N ATOM 220 C2 DA A 12 31.844 19.881 14.477 1.00 53.71 C ATOM 221 N3 DA A 12 32.122 21.173 14.258 1.00 55.89 N ATOM 222 C4 DA A 12 32.450 21.371 12.969 1.00 48.76 C ATOM 223 P DA A 13 35.106 26.987 14.511 1.00 68.72 P ATOM 224 OP1 DA A 13 35.003 28.245 15.304 1.00 68.64 O ATOM 225 OP2 DA A 13 36.085 26.892 13.349 1.00 68.66 O ATOM 226 O5' DA A 13 35.434 25.857 15.568 1.00 68.58 O ATOM 227 C5' DA A 13 34.410 25.345 16.397 1.00 91.10 C ATOM 228 C4' DA A 13 34.891 24.045 16.973 1.00 91.01 C ATOM 229 O4' DA A 13 34.667 22.967 16.031 1.00 69.33 O ATOM 230 C3' DA A 13 36.408 24.127 17.178 1.00 58.58 C ATOM 231 O3' DA A 13 36.761 23.475 18.386 1.00 58.61 O ATOM 232 C2' DA A 13 36.964 23.348 16.007 1.00 78.39 C ATOM 233 C1' DA A 13 35.901 22.290 15.858 1.00 64.31 C ATOM 234 N9 DA A 13 35.885 21.630 14.565 1.00 49.08 N ATOM 235 C8 DA A 13 36.206 22.114 13.321 1.00 37.89 C ATOM 236 N7 DA A 13 36.077 21.223 12.369 1.00 55.22 N ATOM 237 C5 DA A 13 35.637 20.084 13.039 1.00 41.92 C ATOM 238 C6 DA A 13 35.296 18.810 12.598 1.00 35.62 C ATOM 239 N6 DA A 13 35.348 18.445 11.325 1.00 65.85 N ATOM 240 N1 DA A 13 34.889 17.910 13.510 1.00 37.72 N ATOM 241 C2 DA A 13 34.833 18.285 14.783 1.00 44.96 C ATOM 242 N3 DA A 13 35.129 19.460 15.325 1.00 37.41 N ATOM 243 C4 DA A 13 35.525 20.323 14.383 1.00 39.46 C ATOM 244 P DG A 14 38.088 23.928 19.170 1.00 58.85 P ATOM 245 OP1 DG A 14 37.724 24.930 20.260 1.00 58.56 O ATOM 246 OP2 DG A 14 39.065 24.314 18.059 1.00 58.66 O ATOM 247 O5' DG A 14 38.588 22.567 19.866 1.00 58.57 O ATOM 248 C5' DG A 14 37.693 21.758 20.635 1.00 88.12 C ATOM 249 C4' DG A 14 37.903 20.293 20.326 1.00 71.71 C ATOM 250 O4' DG A 14 37.631 20.010 18.920 1.00 74.08 O ATOM 251 C3' DG A 14 39.309 19.756 20.601 1.00 72.22 C ATOM 252 O3' DG A 14 39.199 18.485 21.270 1.00 58.61 O ATOM 253 C2' DG A 14 39.854 19.520 19.197 1.00 71.74 C ATOM 254 C1' DG A 14 38.595 19.080 18.470 1.00 56.77 C ATOM 255 N9 DG A 14 38.616 19.074 17.003 1.00 44.07 N ATOM 256 C8 DG A 14 38.897 20.132 16.186 1.00 39.46 C ATOM 257 N7 DG A 14 38.883 19.819 14.910 1.00 50.17 N ATOM 258 C5 DG A 14 38.547 18.472 14.877 1.00 34.86 C ATOM 259 C6 DG A 14 38.376 17.587 13.759 1.00 42.58 C ATOM 260 O6 DG A 14 38.451 17.853 12.550 1.00 47.96 O ATOM 261 N1 DG A 14 38.088 16.281 14.169 1.00 27.95 N ATOM 262 C2 DG A 14 37.976 15.889 15.488 1.00 35.47 C ATOM 263 N2 DG A 14 37.787 14.597 15.701 1.00 41.19 N ATOM 264 N3 DG A 14 38.077 16.711 16.531 1.00 39.39 N ATOM 265 C4 DG A 14 38.377 17.982 16.154 1.00 42.65 C ATOM 266 P DA A 15 39.212 18.402 22.904 1.00 58.89 P ATOM 267 OP1 DA A 15 39.735 17.025 23.367 1.00 58.56 O ATOM 268 OP2 DA A 15 37.858 18.876 23.408 1.00 58.58 O ATOM 269 O5' DA A 15 40.204 19.593 23.328 1.00 58.55 O ATOM 270 C5' DA A 15 41.635 19.471 23.272 1.00 68.50 C ATOM 271 C4' DA A 15 42.276 20.501 24.180 1.00 96.14 C ATOM 272 O4' DA A 15 41.953 20.268 25.587 1.00 91.18 O ATOM 273 C3' DA A 15 43.798 20.489 24.108 1.00 68.53 C ATOM 274 O3' DA A 15 44.236 21.835 24.345 1.00 68.56 O ATOM 275 C2' DA A 15 44.170 19.633 25.302 1.00 69.26 C ATOM 276 C1' DA A 15 43.150 20.090 26.329 1.00 63.24 C ATOM 277 N9 DA A 15 42.934 19.073 27.355 1.00 47.49 N ATOM 278 C8 DA A 15 42.488 17.803 27.160 1.00 33.27 C ATOM 279 N7 DA A 15 42.538 17.056 28.236 1.00 51.37 N ATOM 280 C5 DA A 15 43.035 17.902 29.214 1.00 43.70 C ATOM 281 C6 DA A 15 43.393 17.698 30.585 1.00 47.48 C ATOM 282 N6 DA A 15 43.391 16.515 31.217 1.00 49.34 N ATOM 283 N1 DA A 15 43.809 18.769 31.285 1.00 43.41 N ATOM 284 C2 DA A 15 43.919 19.937 30.645 1.00 55.86 C ATOM 285 N3 DA A 15 43.672 20.236 29.360 1.00 57.63 N ATOM 286 C4 DA A 15 43.227 19.163 28.696 1.00 43.06 C TER 287 DA A 15 ATOM 288 O5' DA B 16 42.999 17.018 3.017 1.00 82.99 O ATOM 289 C5' DA B 16 43.514 16.058 2.072 1.00 94.85 C ATOM 290 C4' DA B 16 44.062 14.746 2.597 1.00 86.15 C ATOM 291 O4' DA B 16 45.095 15.036 3.577 1.00 70.50 O ATOM 292 C3'A DA B 16 43.249 13.596 3.207 0.50 76.42 C ATOM 293 C3'B DA B 16 42.894 14.135 3.372 0.50 81.35 C ATOM 294 O3'A DA B 16 43.853 12.371 2.723 0.50 65.58 O ATOM 295 O3'B DA B 16 42.121 13.093 2.760 0.50 76.53 O ATOM 296 C2' DA B 16 43.454 13.759 4.722 1.00 73.74 C ATOM 297 C1' DA B 16 44.806 14.457 4.843 1.00 48.44 C ATOM 298 N9 DA B 16 44.657 15.563 5.789 1.00 45.56 N ATOM 299 C8 DA B 16 44.357 16.887 5.523 1.00 45.84 C ATOM 300 N7 DA B 16 44.181 17.626 6.608 1.00 37.66 N ATOM 301 C5 DA B 16 44.392 16.736 7.638 1.00 35.18 C ATOM 302 C6 DA B 16 44.324 16.890 8.995 1.00 35.30 C ATOM 303 N6 DA B 16 43.988 18.039 9.583 1.00 39.95 N ATOM 304 N1 DA B 16 44.603 15.813 9.757 1.00 47.96 N ATOM 305 C2 DA B 16 44.921 14.653 9.152 1.00 40.87 C ATOM 306 N3 DA B 16 45.001 14.378 7.858 1.00 31.69 N ATOM 307 C4 DA B 16 44.719 15.471 7.150 1.00 33.58 C ATOM 308 P A DT B 17 43.107 10.958 2.917 0.50 59.39 P ATOM 309 P B DT B 17 40.548 12.988 3.143 0.50 76.04 P ATOM 310 OP1A DT B 17 44.151 9.896 2.842 0.50 56.86 O ATOM 311 OP1B DT B 17 40.009 11.683 2.681 0.50 78.02 O ATOM 312 OP2A DT B 17 41.951 10.903 1.994 0.50 58.70 O ATOM 313 OP2B DT B 17 39.820 14.251 2.778 0.50 55.50 O ATOM 314 O5'A DT B 17 42.631 11.032 4.430 0.50 48.16 O ATOM 315 O5'B DT B 17 40.612 12.935 4.731 0.50 60.25 O ATOM 316 C5'A DT B 17 41.270 10.953 4.816 0.50 45.91 C ATOM 317 C5'B DT B 17 39.924 11.932 5.431 0.50 56.56 C ATOM 318 C4'A DT B 17 41.237 10.615 6.284 0.50 58.34 C ATOM 319 C4'B DT B 17 40.880 10.986 6.120 0.50 60.10 C ATOM 320 O4' DT B 17 41.747 11.714 7.029 1.00 53.55 O ATOM 321 C3' DT B 17 39.975 10.160 7.012 1.00 69.22 C ATOM 322 O3' DT B 17 40.319 8.851 7.327 1.00 76.67 O ATOM 323 C2' DT B 17 39.908 10.990 8.275 1.00 55.47 C ATOM 324 C1' DT B 17 41.279 11.609 8.353 1.00 41.40 C ATOM 325 N1 DT B 17 41.209 12.960 8.870 1.00 40.23 N ATOM 326 C2 DT B 17 41.305 13.110 10.209 1.00 38.32 C ATOM 327 O2 DT B 17 41.436 12.151 10.967 1.00 58.21 O ATOM 328 N3 DT B 17 41.246 14.422 10.638 1.00 31.12 N ATOM 329 C4 DT B 17 41.117 15.557 9.850 1.00 37.12 C ATOM 330 O4 DT B 17 41.130 16.690 10.353 1.00 44.74 O ATOM 331 C5 DT B 17 40.998 15.309 8.461 1.00 26.83 C ATOM 332 C7 DT B 17 40.811 16.477 7.556 1.00 26.12 C ATOM 333 C6 DT B 17 41.052 14.041 8.031 1.00 21.87 C ATOM 334 P DC B 18 39.147 7.840 7.515 1.00 77.98 P ATOM 335 OP1 DC B 18 39.685 6.457 7.574 1.00 75.58 O ATOM 336 OP2 DC B 18 38.185 8.245 6.451 1.00 81.89 O ATOM 337 O5' DC B 18 38.654 8.268 8.948 1.00 59.34 O ATOM 338 C5' DC B 18 39.469 7.937 10.026 1.00 54.33 C ATOM 339 C4' DC B 18 38.895 8.524 11.278 1.00 53.69 C ATOM 340 O4' DC B 18 39.056 9.952 11.236 1.00 53.73 O ATOM 341 C3' DC B 18 37.404 8.281 11.469 1.00 40.84 C ATOM 342 O3' DC B 18 37.203 7.968 12.849 1.00 48.73 O ATOM 343 C2' DC B 18 36.817 9.647 11.173 1.00 46.65 C ATOM 344 C1' DC B 18 37.895 10.503 11.774 1.00 31.67 C ATOM 345 N1 DC B 18 37.900 11.921 11.447 1.00 31.86 N ATOM 346 C2 DC B 18 38.014 12.822 12.487 1.00 24.36 C ATOM 347 O2 DC B 18 38.114 12.367 13.636 1.00 42.44 O ATOM 348 N3 DC B 18 38.024 14.158 12.225 1.00 25.22 N ATOM 349 C4 DC B 18 37.921 14.576 10.957 1.00 25.25 C ATOM 350 N4 DC B 18 37.903 15.876 10.718 1.00 31.12 N ATOM 351 C5 DC B 18 37.818 13.673 9.874 1.00 20.30 C ATOM 352 C6 DC B 18 37.808 12.354 10.160 1.00 22.94 C ATOM 353 P DT B 19 36.036 6.948 13.290 1.00 58.78 P ATOM 354 OP1 DT B 19 36.568 5.843 14.127 1.00 49.97 O ATOM 355 OP2 DT B 19 35.203 6.628 12.090 1.00 55.14 O ATOM 356 O5' DT B 19 35.228 7.851 14.308 1.00 47.87 O ATOM 357 C5' DT B 19 35.371 9.250 14.240 1.00 39.18 C ATOM 358 C4' DT B 19 35.149 9.859 15.598 1.00 49.67 C ATOM 359 O4' DT B 19 35.540 11.230 15.425 1.00 53.12 O ATOM 360 C3' DT B 19 33.689 9.878 16.052 1.00 58.38 C ATOM 361 O3' DT B 19 33.530 9.685 17.461 1.00 62.86 O ATOM 362 C2' DT B 19 33.188 11.247 15.628 1.00 65.07 C ATOM 363 C1' DT B 19 34.440 12.106 15.546 1.00 45.33 C ATOM 364 N1 DT B 19 34.462 12.984 14.372 1.00 27.61 N ATOM 365 C2 DT B 19 34.439 14.337 14.573 1.00 27.91 C ATOM 366 O2 DT B 19 34.395 14.830 15.686 1.00 52.74 O ATOM 367 N3 DT B 19 34.456 15.088 13.432 1.00 22.70 N ATOM 368 C4 DT B 19 34.482 14.618 12.155 1.00 23.36 C ATOM 369 O4 DT B 19 34.481 15.384 11.201 1.00 32.85 O ATOM 370 C5 DT B 19 34.506 13.209 12.023 1.00 24.18 C ATOM 371 C7 DT B 19 34.544 12.644 10.645 1.00 55.96 C ATOM 372 C6 DT B 19 34.497 12.457 13.120 1.00 25.76 C ATOM 373 P DT B 20 32.062 9.393 18.060 1.00 60.12 P ATOM 374 OP1 DT B 20 32.151 8.563 19.299 1.00 66.64 O ATOM 375 OP2 DT B 20 31.214 8.922 16.934 1.00 71.23 O ATOM 376 O5' DT B 20 31.590 10.849 18.471 1.00 66.68 O ATOM 377 C5' DT B 20 32.322 11.581 19.429 1.00 76.22 C ATOM 378 C4' DT B 20 31.806 12.993 19.524 1.00 66.47 C ATOM 379 O4' DT B 20 32.170 13.725 18.329 1.00 57.34 O ATOM 380 C3' DT B 20 30.296 13.115 19.670 1.00 64.92 C ATOM 381 O3' DT B 20 29.991 13.884 20.827 1.00 75.95 O ATOM 382 C2' DT B 20 29.863 13.830 18.398 1.00 63.85 C ATOM 383 C1' DT B 20 31.114 14.579 17.970 1.00 48.09 C ATOM 384 N1 DT B 20 31.239 14.889 16.512 1.00 46.75 N ATOM 385 C2 DT B 20 31.613 16.172 16.130 1.00 49.64 C ATOM 386 O2 DT B 20 31.988 17.029 16.917 1.00 66.43 O ATOM 387 N3 DT B 20 31.562 16.406 14.780 1.00 36.64 N ATOM 388 C4 DT B 20 31.236 15.499 13.796 1.00 27.99 C ATOM 389 O4 DT B 20 31.184 15.846 12.621 1.00 44.67 O ATOM 390 C5 DT B 20 30.965 14.174 14.248 1.00 42.37 C ATOM 391 C7 DT B 20 30.711 13.121 13.217 1.00 42.80 C ATOM 392 C6 DT B 20 30.963 13.931 15.570 1.00 42.71 C ATOM 393 P DG B 21 28.555 13.682 21.582 1.00 68.67 P ATOM 394 OP1 DG B 21 28.795 13.281 23.025 1.00 68.56 O ATOM 395 OP2 DG B 21 27.543 12.907 20.758 1.00 68.45 O ATOM 396 O5' DG B 21 28.043 15.191 21.702 1.00 68.56 O ATOM 397 C5' DG B 21 28.942 16.231 22.187 1.00 48.58 C ATOM 398 C4' DG B 21 28.653 17.530 21.449 1.00 48.61 C ATOM 399 O4' DG B 21 29.016 17.354 20.025 1.00 48.46 O ATOM 400 C3' DG B 21 27.165 17.973 21.480 1.00 48.60 C ATOM 401 O3' DG B 21 26.962 19.354 21.887 1.00 68.53 O ATOM 402 C2' DG B 21 26.721 17.794 20.035 1.00 48.60 C ATOM 403 C1' DG B 21 28.015 17.998 19.260 1.00 48.52 C ATOM 404 N9 DG B 21 27.929 17.375 17.941 1.00 58.81 N ATOM 405 C8 DG B 21 27.482 16.103 17.670 1.00 40.49 C ATOM 406 N7 DG B 21 27.368 15.870 16.377 1.00 46.76 N ATOM 407 C5 DG B 21 27.800 17.044 15.768 1.00 48.47 C ATOM 408 C6 DG B 21 27.925 17.386 14.368 1.00 58.07 C ATOM 409 O6 DG B 21 27.684 16.673 13.375 1.00 64.66 O ATOM 410 N1 DG B 21 28.409 18.682 14.189 1.00 52.45 N ATOM 411 C2 DG B 21 28.753 19.541 15.204 1.00 53.15 C ATOM 412 N2 DG B 21 29.139 20.770 14.818 1.00 75.60 N ATOM 413 N3 DG B 21 28.702 19.229 16.507 1.00 50.92 N ATOM 414 C4 DG B 21 28.202 17.984 16.712 1.00 47.18 C ATOM 415 P DT B 22 25.454 19.956 22.084 1.00 68.35 P ATOM 416 OP1 DT B 22 25.336 20.554 23.465 1.00 62.91 O ATOM 417 OP2 DT B 22 24.451 18.975 21.616 1.00 72.63 O ATOM 418 O5' DT B 22 25.468 21.145 21.043 1.00 73.77 O ATOM 419 C5' DT B 22 26.614 21.958 20.971 1.00 59.51 C ATOM 420 C4' DT B 22 26.488 22.896 19.803 1.00 69.55 C ATOM 421 O4' DT B 22 26.615 22.160 18.559 1.00 75.48 O ATOM 422 C3' DT B 22 25.157 23.643 19.726 1.00 62.99 C ATOM 423 O3' DT B 22 25.357 25.021 19.376 1.00 77.22 O ATOM 424 C2' DT B 22 24.423 22.929 18.605 1.00 73.17 C ATOM 425 C1' DT B 22 25.550 22.493 17.690 1.00 50.14 C ATOM 426 N1 DT B 22 25.228 21.295 16.893 1.00 49.51 N ATOM 427 C2 DT B 22 25.400 21.353 15.517 1.00 49.84 C ATOM 428 O2 DT B 22 25.848 22.334 14.944 1.00 42.71 O ATOM 429 N3 DT B 22 25.027 20.200 14.835 1.00 52.75 N ATOM 430 C4 DT B 22 24.533 19.017 15.394 1.00 43.72 C ATOM 431 O4 DT B 22 24.224 18.066 14.663 1.00 38.59 O ATOM 432 C5 DT B 22 24.425 19.020 16.845 1.00 29.47 C ATOM 433 C7 DT B 22 23.980 17.777 17.536 1.00 25.17 C ATOM 434 C6 DT B 22 24.755 20.144 17.511 1.00 34.67 C ATOM 435 P DC B 23 24.099 26.021 19.347 1.00 87.73 P ATOM 436 OP1 DC B 23 24.613 27.407 19.464 1.00 92.66 O ATOM 437 OP2 DC B 23 23.127 25.510 20.355 1.00 81.55 O ATOM 438 O5' DC B 23 23.504 25.843 17.875 1.00 69.20 O ATOM 439 C5' DC B 23 24.120 26.483 16.750 1.00 69.65 C ATOM 440 C4' DC B 23 23.241 26.371 15.520 1.00 78.97 C ATOM 441 O4' DC B 23 23.200 24.995 15.045 1.00 79.62 O ATOM 442 C3' DC B 23 21.775 26.809 15.702 1.00 79.69 C ATOM 443 O3' DC B 23 21.280 27.476 14.514 1.00 70.39 O ATOM 444 C2' DC B 23 21.058 25.480 15.854 1.00 83.87 C ATOM 445 C1' DC B 23 21.843 24.616 14.878 1.00 69.86 C ATOM 446 N1 DC B 23 21.712 23.163 15.088 1.00 50.84 N ATOM 447 C2 DC B 23 21.857 22.312 13.971 1.00 49.75 C ATOM 448 O2 DC B 23 22.145 22.815 12.872 1.00 39.50 O ATOM 449 N3 DC B 23 21.677 20.978 14.122 1.00 46.63 N ATOM 450 C4 DC B 23 21.369 20.483 15.334 1.00 56.12 C ATOM 451 N4 DC B 23 21.180 19.160 15.437 1.00 54.45 N ATOM 452 C5 DC B 23 21.237 21.326 16.498 1.00 31.45 C ATOM 453 C6 DC B 23 21.423 22.644 16.328 1.00 40.30 C ATOM 454 P DA B 24 20.440 28.857 14.630 1.00 56.18 P ATOM 455 OP1 DA B 24 21.415 29.950 14.802 1.00 69.59 O ATOM 456 OP2 DA B 24 19.314 28.729 15.613 1.00 49.55 O ATOM 457 O5' DA B 24 19.886 29.032 13.151 1.00 51.83 O ATOM 458 C5' DA B 24 20.787 29.219 12.068 1.00 49.47 C ATOM 459 C4' DA B 24 20.356 28.411 10.863 1.00 51.24 C ATOM 460 O4' DA B 24 20.315 27.000 11.204 1.00 54.18 O ATOM 461 C3' DA B 24 18.995 28.730 10.254 1.00 48.67 C ATOM 462 O3' DA B 24 19.101 28.667 8.829 1.00 63.68 O ATOM 463 C2' DA B 24 18.094 27.618 10.778 1.00 63.37 C ATOM 464 C1' DA B 24 19.044 26.421 10.899 1.00 48.24 C ATOM 465 N9 DA B 24 18.739 25.412 11.947 1.00 46.22 N ATOM 466 C8 DA B 24 18.496 25.638 13.292 1.00 39.31 C ATOM 467 N7 DA B 24 18.308 24.544 13.997 1.00 31.32 N ATOM 468 C5 DA B 24 18.419 23.531 13.063 1.00 30.40 C ATOM 469 C6 DA B 24 18.305 22.143 13.187 1.00 33.48 C ATOM 470 N6 DA B 24 18.027 21.534 14.343 1.00 34.58 N ATOM 471 N1 DA B 24 18.467 21.394 12.081 1.00 39.41 N ATOM 472 C2 DA B 24 18.716 22.023 10.919 1.00 47.52 C ATOM 473 N3 DA B 24 18.835 23.336 10.667 1.00 47.30 N ATOM 474 C4 DA B 24 18.674 24.044 11.795 1.00 39.49 C ATOM 475 P DA B 25 17.820 29.025 7.926 1.00 69.73 P ATOM 476 OP1 DA B 25 18.246 29.540 6.590 1.00 62.32 O ATOM 477 OP2 DA B 25 16.942 29.834 8.799 1.00 66.48 O ATOM 478 O5' DA B 25 17.119 27.624 7.663 1.00 65.34 O ATOM 479 C5' DA B 25 17.714 26.708 6.746 1.00 72.31 C ATOM 480 C4' DA B 25 16.974 25.392 6.732 1.00 43.26 C ATOM 481 O4' DA B 25 16.983 24.808 8.060 1.00 61.02 O ATOM 482 C3' DA B 25 15.507 25.496 6.328 1.00 45.26 C ATOM 483 O3' DA B 25 15.207 24.450 5.425 1.00 48.38 O ATOM 484 C2' DA B 25 14.772 25.279 7.638 1.00 39.70 C ATOM 485 C1' DA B 25 15.694 24.305 8.316 1.00 53.08 C ATOM 486 N9 DA B 25 15.530 24.115 9.758 1.00 35.27 N ATOM 487 C8 DA B 25 15.288 25.056 10.711 1.00 30.02 C ATOM 488 N7 DA B 25 15.092 24.550 11.920 1.00 48.39 N ATOM 489 C5 DA B 25 15.232 23.176 11.743 1.00 36.00 C ATOM 490 C6 DA B 25 15.139 22.073 12.637 1.00 35.66 C ATOM 491 N6 DA B 25 14.799 22.179 13.921 1.00 47.80 N ATOM 492 N1 DA B 25 15.401 20.845 12.152 1.00 32.40 N ATOM 493 C2 DA B 25 15.716 20.730 10.864 1.00 40.36 C ATOM 494 N3 DA B 25 15.807 21.671 9.921 1.00 45.47 N ATOM 495 C4 DA B 25 15.545 22.893 10.427 1.00 37.82 C ATOM 496 P DA B 26 14.878 24.791 3.888 1.00 55.56 P ATOM 497 OP1 DA B 26 16.032 25.450 3.239 1.00 70.24 O ATOM 498 OP2 DA B 26 13.549 25.437 3.818 1.00 81.84 O ATOM 499 O5' DA B 26 14.732 23.345 3.247 1.00 68.91 O ATOM 500 C5' DA B 26 15.784 22.394 3.379 1.00 75.44 C ATOM 501 C4' DA B 26 15.235 21.059 3.825 1.00 64.13 C ATOM 502 O4' DA B 26 14.942 21.007 5.241 1.00 65.68 O ATOM 503 C3' DA B 26 13.949 20.656 3.135 1.00 46.32 C ATOM 504 O3' DA B 26 14.018 19.261 2.929 1.00 52.74 O ATOM 505 C2' DA B 26 12.902 20.961 4.184 1.00 45.00 C ATOM 506 C1' DA B 26 13.622 20.543 5.441 1.00 28.96 C ATOM 507 N9 DA B 26 13.127 21.151 6.673 1.00 32.92 N ATOM 508 C8 DA B 26 12.674 22.435 6.844 1.00 38.83 C ATOM 509 N7 DA B 26 12.323 22.709 8.088 1.00 32.41 N ATOM 510 C5 DA B 26 12.549 21.521 8.773 1.00 39.58 C ATOM 511 C6 DA B 26 12.363 21.148 10.120 1.00 40.89 C ATOM 512 N6 DA B 26 11.809 21.927 11.040 1.00 55.40 N ATOM 513 N1 DA B 26 12.736 19.913 10.490 1.00 39.59 N ATOM 514 C2 DA B 26 13.206 19.093 9.559 1.00 32.13 C ATOM 515 N3 DA B 26 13.382 19.302 8.251 1.00 39.20 N ATOM 516 C4 DA B 26 13.043 20.555 7.918 1.00 38.86 C ATOM 517 P DA B 27 13.233 18.616 1.700 1.00 56.80 P ATOM 518 OP1 DA B 27 14.167 17.780 0.898 1.00 80.69 O ATOM 519 OP2 DA B 27 12.513 19.723 1.037 1.00 61.57 O ATOM 520 O5' DA B 27 12.245 17.639 2.470 1.00 60.73 O ATOM 521 C5' DA B 27 12.759 16.778 3.488 1.00 69.59 C ATOM 522 C4' DA B 27 11.649 16.265 4.378 1.00 64.43 C ATOM 523 O4' DA B 27 11.346 17.129 5.496 1.00 79.33 O ATOM 524 C3' DA B 27 10.315 15.972 3.706 1.00 66.40 C ATOM 525 O3' DA B 27 9.817 14.767 4.272 1.00 67.92 O ATOM 526 C2' DA B 27 9.455 17.144 4.141 1.00 59.86 C ATOM 527 C1' DA B 27 9.945 17.338 5.566 1.00 53.09 C ATOM 528 N9 DA B 27 9.720 18.666 6.142 1.00 39.45 N ATOM 529 C8 DA B 27 9.662 19.876 5.494 1.00 31.64 C ATOM 530 N7 DA B 27 9.501 20.895 6.310 1.00 33.44 N ATOM 531 C5 DA B 27 9.431 20.313 7.577 1.00 30.18 C ATOM 532 C6 DA B 27 9.276 20.857 8.878 1.00 41.06 C ATOM 533 N6 DA B 27 9.152 22.158 9.128 1.00 69.68 N ATOM 534 N1 DA B 27 9.254 20.011 9.925 1.00 29.64 N ATOM 535 C2 DA B 27 9.372 18.710 9.681 1.00 38.89 C ATOM 536 N3 DA B 27 9.522 18.073 8.510 1.00 45.54 N ATOM 537 C4 DA B 27 9.547 18.945 7.485 1.00 34.07 C ATOM 538 P DA B 28 8.764 13.899 3.452 1.00 90.60 P ATOM 539 OP1 DA B 28 9.236 12.493 3.526 1.00 94.14 O ATOM 540 OP2 DA B 28 8.605 14.558 2.116 1.00 80.28 O ATOM 541 O5' DA B 28 7.434 14.047 4.336 1.00 95.46 O ATOM 542 C5' DA B 28 7.350 13.427 5.633 1.00 84.67 C ATOM 543 C4' DA B 28 6.165 13.947 6.418 1.00 78.21 C ATOM 544 O4' DA B 28 6.442 15.150 7.194 1.00 62.96 O ATOM 545 C3' DA B 28 4.931 14.263 5.573 1.00 84.20 C ATOM 546 O3' DA B 28 3.761 13.806 6.256 1.00 75.70 O ATOM 547 C2' DA B 28 4.922 15.777 5.549 1.00 74.75 C ATOM 548 C1' DA B 28 5.370 16.054 6.974 1.00 52.59 C ATOM 549 N9 DA B 28 5.784 17.444 7.226 1.00 37.67 N ATOM 550 C8 DA B 28 6.107 18.384 6.278 1.00 39.43 C ATOM 551 N7 DA B 28 6.200 19.600 6.756 1.00 42.10 N ATOM 552 C5 DA B 28 5.985 19.444 8.113 1.00 33.97 C ATOM 553 C6 DA B 28 5.918 20.362 9.144 1.00 35.29 C ATOM 554 N6 DA B 28 6.006 21.672 8.955 1.00 53.17 N ATOM 555 N1 DA B 28 5.726 19.903 10.391 1.00 41.05 N ATOM 556 C2 DA B 28 5.568 18.596 10.557 1.00 53.74 C ATOM 557 N3 DA B 28 5.569 17.622 9.647 1.00 45.67 N ATOM 558 C4 DA B 28 5.787 18.121 8.428 1.00 36.87 C ATOM 559 P DC B 29 2.334 13.858 5.519 1.00 63.95 P ATOM 560 OP1 DC B 29 1.933 12.440 5.391 1.00 76.15 O ATOM 561 OP2 DC B 29 2.385 14.704 4.292 1.00 58.68 O ATOM 562 O5' DC B 29 1.438 14.548 6.642 1.00 75.86 O ATOM 563 C5' DC B 29 1.458 14.031 7.974 1.00 71.41 C ATOM 564 C4' DC B 29 0.690 14.932 8.917 1.00 74.75 C ATOM 565 O4' DC B 29 1.412 16.172 9.074 1.00 56.01 O ATOM 566 C3' DC B 29 -0.715 15.336 8.465 1.00 78.13 C ATOM 567 O3' DC B 29 -1.533 15.719 9.614 1.00 81.99 O ATOM 568 C2' DC B 29 -0.430 16.618 7.707 1.00 57.45 C ATOM 569 C1' DC B 29 0.604 17.234 8.633 1.00 46.03 C ATOM 570 N1 DC B 29 1.464 18.242 8.031 1.00 33.10 N ATOM 571 C2 DC B 29 1.864 19.320 8.823 1.00 42.29 C ATOM 572 O2 DC B 29 1.524 19.346 10.031 1.00 52.15 O ATOM 573 N3 DC B 29 2.620 20.294 8.270 1.00 57.48 N ATOM 574 C4 DC B 29 2.996 20.202 6.984 1.00 59.48 C ATOM 575 N4 DC B 29 3.783 21.187 6.476 1.00 59.79 N ATOM 576 C5 DC B 29 2.604 19.098 6.162 1.00 47.91 C ATOM 577 C6 DC B 29 1.854 18.150 6.724 1.00 37.00 C TER 578 DC B 29 ATOM 579 N GLY C 139 7.077 14.847 13.111 1.00 90.75 N ATOM 580 CA GLY C 139 6.740 15.374 11.769 1.00 88.29 C ATOM 581 C GLY C 139 7.608 14.828 10.645 1.00 88.55 C ATOM 582 O GLY C 139 7.106 14.083 9.781 1.00 87.90 O ATOM 583 N ARG C 140 8.897 15.201 10.639 1.00 74.07 N ATOM 584 CA ARG C 140 9.811 14.734 9.597 1.00 59.56 C ATOM 585 C ARG C 140 10.179 13.270 9.811 1.00 56.35 C ATOM 586 O ARG C 140 10.499 12.835 10.923 1.00 65.00 O ATOM 587 CB ARG C 140 11.084 15.585 9.541 1.00 54.35 C ATOM 588 CG ARG C 140 12.161 15.018 8.573 1.00 62.79 C ATOM 589 CD ARG C 140 13.378 15.945 8.325 1.00 46.08 C ATOM 590 NE ARG C 140 14.311 15.361 7.362 1.00 62.37 N ATOM 591 CZ ARG C 140 15.106 16.068 6.569 1.00 70.96 C ATOM 592 NH1 ARG C 140 15.067 17.387 6.615 1.00 63.24 N ATOM 593 NH2 ARG C 140 15.962 15.454 5.757 1.00 87.33 N ATOM 594 N PRO C 141 10.126 12.488 8.731 1.00 43.16 N ATOM 595 CA PRO C 141 10.445 11.066 8.767 1.00 42.74 C ATOM 596 C PRO C 141 11.916 10.769 9.101 1.00 57.83 C ATOM 597 O PRO C 141 12.773 11.629 8.902 1.00 81.72 O ATOM 598 CB PRO C 141 10.058 10.606 7.356 1.00 67.63 C ATOM 599 CG PRO C 141 10.300 11.815 6.498 1.00 43.80 C ATOM 600 CD PRO C 141 9.773 12.925 7.363 1.00 43.05 C ATOM 601 N ARG C 142 12.212 9.567 9.610 1.00 50.82 N ATOM 602 CA ARG C 142 13.589 9.197 9.922 1.00 42.78 C ATOM 603 C ARG C 142 14.359 8.874 8.640 1.00 54.45 C ATOM 604 O ARG C 142 13.760 8.520 7.607 1.00 68.21 O ATOM 605 CB ARG C 142 13.611 8.047 10.903 1.00 29.99 C ATOM 606 CG ARG C 142 13.431 8.529 12.306 1.00 37.08 C ATOM 607 CD ARG C 142 13.460 7.363 13.239 1.00 34.50 C ATOM 608 NE ARG C 142 13.674 7.754 14.629 1.00 44.17 N ATOM 609 CZ ARG C 142 14.809 8.286 15.094 1.00 83.01 C ATOM 610 NH1 ARG C 142 15.856 8.505 14.289 1.00 94.18 N ATOM 611 NH2 ARG C 142 14.919 8.586 16.383 1.00 94.63 N ATOM 612 N ALA C 143 15.681 9.043 8.686 1.00 64.18 N ATOM 613 CA ALA C 143 16.511 8.814 7.499 1.00 69.78 C ATOM 614 C ALA C 143 16.562 7.338 7.102 1.00 64.51 C ATOM 615 O ALA C 143 16.568 7.001 5.907 1.00 69.58 O ATOM 616 CB ALA C 143 17.911 9.364 7.745 1.00 91.09 C ATOM 617 N ILE C 144 16.607 6.476 8.120 1.00 61.73 N ATOM 618 CA ILE C 144 16.611 5.026 7.945 1.00 66.58 C ATOM 619 C ILE C 144 15.742 4.348 8.998 1.00 78.43 C ATOM 620 O ILE C 144 15.864 4.616 10.206 1.00 81.31 O ATOM 621 CB ILE C 144 17.994 4.415 8.079 1.00 64.41 C ATOM 622 CG1 ILE C 144 18.561 4.696 9.480 1.00 49.64 C ATOM 623 CG2 ILE C 144 18.858 4.897 6.949 1.00 74.77 C ATOM 624 CD1 ILE C 144 18.814 6.138 9.750 1.00 73.15 C ATOM 625 N ASN C 145 14.881 3.451 8.522 1.00 86.86 N ATOM 626 CA ASN C 145 13.959 2.704 9.374 1.00 90.61 C ATOM 627 C ASN C 145 14.682 1.758 10.326 1.00 90.58 C ATOM 628 O ASN C 145 15.671 2.145 10.955 1.00 96.62 O ATOM 629 CB ASN C 145 12.981 1.920 8.501 1.00 76.05 C ATOM 630 CG ASN C 145 13.678 1.116 7.442 1.00 62.45 C ATOM 631 OD1 ASN C 145 14.441 0.207 7.752 1.00 85.69 O ATOM 632 ND2 ASN C 145 13.428 1.447 6.176 1.00 73.33 N ATOM 633 N LYS C 146 14.181 0.530 10.443 1.00 76.31 N ATOM 634 CA LYS C 146 14.814 -0.452 11.316 1.00 83.90 C ATOM 635 C LYS C 146 15.544 -1.517 10.505 1.00 91.86 C ATOM 636 O LYS C 146 16.694 -1.871 10.802 1.00 92.80 O ATOM 637 CB LYS C 146 13.787 -1.137 12.184 1.00 83.86 C ATOM 638 CG LYS C 146 14.377 -1.654 13.466 1.00 93.28 C ATOM 639 CD LYS C 146 14.454 -0.533 14.488 1.00 98.54 C ATOM 640 N HIS C 147 14.840 -2.035 9.497 1.00 98.52 N ATOM 641 CA HIS C 147 15.346 -3.056 8.558 1.00 98.57 C ATOM 642 C HIS C 147 16.803 -2.676 8.294 1.00 95.44 C ATOM 643 O HIS C 147 17.743 -3.346 8.746 1.00 87.36 O ATOM 644 CB HIS C 147 14.524 -2.981 7.237 1.00 98.60 C ATOM 645 N GLU C 148 16.954 -1.565 7.579 1.00 89.95 N ATOM 646 CA GLU C 148 18.245 -1.013 7.223 1.00 85.74 C ATOM 647 C GLU C 148 18.977 -0.443 8.437 1.00 63.30 C ATOM 648 O GLU C 148 20.179 -0.302 8.424 1.00 67.11 O ATOM 649 CB GLU C 148 18.044 0.061 6.165 1.00 84.44 C ATOM 650 CG GLU C 148 17.146 1.192 6.615 1.00 88.80 C ATOM 651 CD GLU C 148 16.548 1.937 5.437 1.00 98.50 C ATOM 652 OE1 GLU C 148 16.032 3.069 5.634 1.00 98.53 O ATOM 653 OE2 GLU C 148 16.592 1.377 4.312 1.00 98.49 O ATOM 654 N GLN C 149 18.263 -0.113 9.492 1.00 54.49 N ATOM 655 CA GLN C 149 18.945 0.402 10.658 1.00 55.35 C ATOM 656 C GLN C 149 19.845 -0.646 11.233 1.00 42.66 C ATOM 657 O GLN C 149 20.906 -0.342 11.749 1.00 57.90 O ATOM 658 CB GLN C 149 17.968 0.785 11.735 1.00 67.62 C ATOM 659 CG GLN C 149 18.583 0.810 13.109 1.00 68.63 C ATOM 660 CD GLN C 149 17.923 1.862 13.951 1.00 84.00 C ATOM 661 OE1 GLN C 149 18.209 1.994 15.143 1.00 84.00 O ATOM 662 NE2 GLN C 149 17.025 2.637 13.327 1.00 77.96 N ATOM 663 N GLU C 150 19.397 -1.886 11.190 1.00 54.88 N ATOM 664 CA GLU C 150 20.203 -2.970 11.722 1.00 70.03 C ATOM 665 C GLU C 150 21.034 -3.545 10.583 1.00 64.58 C ATOM 666 O GLU C 150 22.160 -3.968 10.786 1.00 65.10 O ATOM 667 CB GLU C 150 19.315 -4.052 12.309 1.00 83.29 C ATOM 668 N GLN C 151 20.463 -3.574 9.387 1.00 53.32 N ATOM 669 CA GLN C 151 21.187 -4.061 8.229 1.00 51.05 C ATOM 670 C GLN C 151 22.519 -3.330 8.260 1.00 66.04 C ATOM 671 O GLN C 151 23.604 -3.935 8.251 1.00 60.94 O ATOM 672 CB GLN C 151 20.441 -3.676 6.960 1.00 36.03 C ATOM 673 CG GLN C 151 21.181 -3.937 5.673 1.00 47.72 C ATOM 674 CD GLN C 151 20.347 -3.568 4.452 1.00 73.42 C ATOM 675 OE1 GLN C 151 19.118 -3.444 4.537 1.00 77.94 O ATOM 676 NE2 GLN C 151 21.007 -3.403 3.307 1.00 70.39 N ATOM 677 N ILE C 152 22.401 -2.008 8.302 1.00 72.82 N ATOM 678 CA ILE C 152 23.532 -1.101 8.356 1.00 63.70 C ATOM 679 C ILE C 152 24.363 -1.426 9.558 1.00 53.98 C ATOM 680 O ILE C 152 25.529 -1.726 9.426 1.00 59.87 O ATOM 681 CB ILE C 152 23.049 0.343 8.439 1.00 68.20 C ATOM 682 CG1 ILE C 152 22.715 0.826 7.032 1.00 75.60 C ATOM 683 CG2 ILE C 152 24.076 1.214 9.104 1.00 53.14 C ATOM 684 CD1 ILE C 152 21.897 2.074 7.025 1.00 69.66 C ATOM 685 N SER C 153 23.766 -1.379 10.734 1.00 56.05 N ATOM 686 CA SER C 153 24.512 -1.695 11.931 1.00 60.04 C ATOM 687 C SER C 153 25.352 -2.945 11.722 1.00 71.84 C ATOM 688 O SER C 153 26.567 -2.916 11.888 1.00 74.98 O ATOM 689 CB SER C 153 23.566 -1.926 13.088 1.00 72.50 C ATOM 690 OG SER C 153 24.290 -2.427 14.191 1.00 92.00 O ATOM 691 N ARG C 154 24.697 -4.042 11.356 1.00 80.22 N ATOM 692 CA ARG C 154 25.370 -5.321 11.120 1.00 85.39 C ATOM 693 C ARG C 154 26.530 -5.149 10.134 1.00 82.87 C ATOM 694 O ARG C 154 27.537 -5.843 10.210 1.00 90.88 O ATOM 695 CB ARG C 154 24.365 -6.334 10.563 1.00 95.94 C ATOM 696 CG ARG C 154 24.888 -7.754 10.377 1.00 95.46 C ATOM 697 CD ARG C 154 23.992 -8.511 9.412 1.00 88.81 C ATOM 698 NE ARG C 154 22.591 -8.350 9.780 1.00 80.39 N ATOM 699 CZ ARG C 154 21.611 -8.163 8.900 1.00 84.06 C ATOM 700 NH1 ARG C 154 21.878 -8.120 7.588 1.00 52.29 N ATOM 701 NH2 ARG C 154 20.367 -7.989 9.336 1.00 79.66 N ATOM 702 N LEU C 155 26.374 -4.224 9.201 1.00 74.49 N ATOM 703 CA LEU C 155 27.400 -3.951 8.208 1.00 64.15 C ATOM 704 C LEU C 155 28.660 -3.288 8.766 1.00 66.01 C ATOM 705 O LEU C 155 29.767 -3.660 8.400 1.00 69.98 O ATOM 706 CB LEU C 155 26.822 -3.046 7.139 1.00 70.38 C ATOM 707 CG LEU C 155 26.054 -3.691 6.006 1.00 59.80 C ATOM 708 CD1 LEU C 155 25.300 -2.654 5.185 1.00 67.77 C ATOM 709 CD2 LEU C 155 27.051 -4.395 5.147 1.00 69.90 C ATOM 710 N LEU C 156 28.490 -2.280 9.620 1.00 71.98 N ATOM 711 CA LEU C 156 29.624 -1.565 10.202 1.00 74.86 C ATOM 712 C LEU C 156 30.540 -2.500 10.954 1.00 75.37 C ATOM 713 O LEU C 156 31.760 -2.284 10.963 1.00 75.93 O ATOM 714 CB LEU C 156 29.161 -0.471 11.166 1.00 69.36 C ATOM 715 CG LEU C 156 28.391 0.677 10.536 1.00 60.98 C ATOM 716 CD1 LEU C 156 28.085 1.734 11.574 1.00 60.29 C ATOM 717 CD2 LEU C 156 29.202 1.230 9.394 1.00 37.81 C ATOM 718 N GLU C 157 29.944 -3.518 11.590 1.00 77.32 N ATOM 719 CA GLU C 157 30.686 -4.523 12.367 1.00 84.52 C ATOM 720 C GLU C 157 31.604 -5.320 11.458 1.00 84.78 C ATOM 721 O GLU C 157 32.674 -5.775 11.875 1.00 94.75 O ATOM 722 CB GLU C 157 29.741 -5.479 13.105 1.00 91.62 C ATOM 723 N LYS C 158 31.187 -5.484 10.210 1.00 74.14 N ATOM 724 CA LYS C 158 32.011 -6.189 9.244 1.00 72.42 C ATOM 725 C LYS C 158 33.048 -5.242 8.631 1.00 72.24 C ATOM 726 O LYS C 158 33.654 -5.552 7.607 1.00 75.40 O ATOM 727 CB LYS C 158 31.148 -6.792 8.137 1.00 73.04 C ATOM 728 N GLY C 159 33.238 -4.087 9.257 1.00 67.51 N ATOM 729 CA GLY C 159 34.197 -3.135 8.754 1.00 61.64 C ATOM 730 C GLY C 159 33.833 -2.426 7.463 1.00 67.37 C ATOM 731 O GLY C 159 34.461 -2.616 6.409 1.00 72.32 O ATOM 732 N HIS C 160 32.806 -1.599 7.520 1.00 77.84 N ATOM 733 CA HIS C 160 32.453 -0.847 6.335 1.00 84.32 C ATOM 734 C HIS C 160 32.632 0.598 6.670 1.00 89.82 C ATOM 735 O HIS C 160 32.419 1.006 7.813 1.00 97.77 O ATOM 736 CB HIS C 160 31.028 -1.099 5.911 1.00 85.25 C ATOM 737 CG HIS C 160 30.856 -2.381 5.169 1.00 86.29 C ATOM 738 ND1 HIS C 160 30.801 -3.604 5.800 1.00 78.16 N ATOM 739 CD2 HIS C 160 30.752 -2.628 3.841 1.00 83.61 C ATOM 740 CE1 HIS C 160 30.669 -4.555 4.890 1.00 94.63 C ATOM 741 NE2 HIS C 160 30.637 -3.989 3.696 1.00 86.34 N ATOM 742 N PRO C 161 33.040 1.400 5.678 1.00 85.89 N ATOM 743 CA PRO C 161 33.255 2.831 5.885 1.00 80.38 C ATOM 744 C PRO C 161 31.986 3.678 5.880 1.00 74.29 C ATOM 745 O PRO C 161 31.253 3.723 4.877 1.00 61.87 O ATOM 746 CB PRO C 161 34.177 3.202 4.729 1.00 85.61 C ATOM 747 CG PRO C 161 33.634 2.366 3.623 1.00 71.16 C ATOM 748 CD PRO C 161 33.419 1.011 4.304 1.00 78.27 C ATOM 749 N ARG C 162 31.735 4.369 6.986 1.00 61.85 N ATOM 750 CA ARG C 162 30.570 5.216 7.032 1.00 57.27 C ATOM 751 C ARG C 162 30.524 6.110 5.805 1.00 53.65 C ATOM 752 O ARG C 162 29.488 6.251 5.191 1.00 65.58 O ATOM 753 CB ARG C 162 30.591 6.041 8.281 1.00 49.79 C ATOM 754 CG ARG C 162 30.557 5.211 9.537 1.00 39.98 C ATOM 755 CD ARG C 162 30.255 6.160 10.643 1.00 51.42 C ATOM 756 NE ARG C 162 30.027 5.537 11.925 1.00 49.32 N ATOM 757 CZ ARG C 162 30.872 4.705 12.496 1.00 57.69 C ATOM 758 NH1 ARG C 162 30.580 4.193 13.688 1.00 73.18 N ATOM 759 NH2 ARG C 162 31.995 4.372 11.862 1.00 69.70 N ATOM 760 N GLN C 163 31.647 6.704 5.433 1.00 62.89 N ATOM 761 CA GLN C 163 31.692 7.550 4.246 1.00 71.18 C ATOM 762 C GLN C 163 30.942 6.971 3.067 1.00 68.75 C ATOM 763 O GLN C 163 30.299 7.700 2.327 1.00 69.14 O ATOM 764 CB GLN C 163 33.131 7.761 3.790 1.00 84.86 C ATOM 765 CG GLN C 163 33.761 8.985 4.344 1.00 88.47 C ATOM 766 CD GLN C 163 32.914 10.195 4.076 1.00 88.51 C ATOM 767 OE1 GLN C 163 32.474 10.426 2.937 1.00 88.52 O ATOM 768 NE2 GLN C 163 32.674 10.987 5.121 1.00 88.52 N ATOM 769 N GLN C 164 31.062 5.660 2.882 1.00 77.97 N ATOM 770 CA GLN C 164 30.440 4.967 1.759 1.00 83.64 C ATOM 771 C GLN C 164 28.996 4.611 2.036 1.00 80.09 C ATOM 772 O GLN C 164 28.104 4.874 1.224 1.00 71.22 O ATOM 773 CB GLN C 164 31.249 3.703 1.415 1.00 95.52 C ATOM 774 CG GLN C 164 32.603 3.986 0.701 1.00 93.48 C ATOM 775 CD GLN C 164 33.468 2.736 0.453 1.00 93.46 C ATOM 776 OE1 GLN C 164 33.084 1.798 -0.259 1.00 93.48 O ATOM 777 NE2 GLN C 164 34.648 2.736 1.039 1.00 93.49 N ATOM 778 N LEU C 165 28.766 4.013 3.193 1.00 76.35 N ATOM 779 CA LEU C 165 27.419 3.631 3.588 1.00 71.51 C ATOM 780 C LEU C 165 26.470 4.809 3.415 1.00 75.25 C ATOM 781 O LEU C 165 25.373 4.665 2.871 1.00 88.58 O ATOM 782 CB LEU C 165 27.417 3.162 5.051 1.00 50.07 C ATOM 783 CG LEU C 165 27.259 1.645 5.282 1.00 53.81 C ATOM 784 CD1 LEU C 165 28.183 0.886 4.360 1.00 52.39 C ATOM 785 CD2 LEU C 165 27.533 1.275 6.733 1.00 49.39 C ATOM 786 N ALA C 166 26.910 5.977 3.867 1.00 77.80 N ATOM 787 CA ALA C 166 26.112 7.188 3.798 1.00 73.34 C ATOM 788 C ALA C 166 25.664 7.530 2.391 1.00 80.11 C ATOM 789 O ALA C 166 24.516 7.905 2.165 1.00 92.11 O ATOM 790 CB ALA C 166 26.892 8.340 4.386 1.00 76.15 C ATOM 791 N ILE C 167 26.571 7.393 1.442 1.00 71.09 N ATOM 792 CA ILE C 167 26.265 7.714 0.059 1.00 79.18 C ATOM 793 C ILE C 167 25.299 6.717 -0.620 1.00 77.82 C ATOM 794 O ILE C 167 24.456 7.094 -1.418 1.00 67.86 O ATOM 795 CB ILE C 167 27.566 7.753 -0.755 1.00 90.42 C ATOM 796 CG1 ILE C 167 28.699 8.363 0.092 1.00 94.20 C ATOM 797 CG2 ILE C 167 27.338 8.537 -2.045 1.00 88.51 C ATOM 798 CD1 ILE C 167 30.135 8.025 -0.384 1.00 91.36 C ATOM 799 N ILE C 168 25.430 5.439 -0.300 1.00 85.97 N ATOM 800 CA ILE C 168 24.609 4.404 -0.915 1.00 81.38 C ATOM 801 C ILE C 168 23.181 4.615 -0.490 1.00 76.70 C ATOM 802 O ILE C 168 22.223 4.715 -1.328 1.00 86.62 O ATOM 803 CB ILE C 168 25.030 3.018 -0.406 1.00 92.11 C ATOM 804 CG1 ILE C 168 26.560 2.937 -0.365 1.00 88.49 C ATOM 805 CG2 ILE C 168 24.468 1.931 -1.297 1.00 89.00 C ATOM 806 CD1 ILE C 168 27.144 1.785 0.449 1.00 93.47 C ATOM 807 N PHE C 169 23.061 4.636 0.833 1.00 69.19 N ATOM 808 CA PHE C 169 21.818 4.790 1.528 1.00 82.39 C ATOM 809 C PHE C 169 21.280 6.214 1.441 1.00 78.53 C ATOM 810 O PHE C 169 20.201 6.497 1.981 1.00 78.56 O ATOM 811 CB PHE C 169 22.018 4.414 2.971 1.00 78.39 C ATOM 812 CG PHE C 169 22.048 2.927 3.219 1.00 78.45 C ATOM 813 CD1 PHE C 169 23.051 2.066 2.755 1.00 78.40 C ATOM 814 CD2 PHE C 169 21.058 2.395 4.001 1.00 78.55 C ATOM 815 CE1 PHE C 169 23.033 0.699 3.131 1.00 78.39 C ATOM 816 CE2 PHE C 169 21.037 1.100 4.354 1.00 78.53 C ATOM 817 CZ PHE C 169 22.014 0.240 3.936 1.00 78.45 C ATOM 818 N GLY C 170 21.982 7.065 0.680 1.00 78.51 N ATOM 819 CA GLY C 170 21.592 8.453 0.442 1.00 82.65 C ATOM 820 C GLY C 170 21.388 9.306 1.679 1.00 74.49 C ATOM 821 O GLY C 170 20.500 10.157 1.708 1.00 80.43 O ATOM 822 N ILE C 171 22.197 9.098 2.711 1.00 65.19 N ATOM 823 CA ILE C 171 22.052 9.883 3.918 1.00 56.66 C ATOM 824 C ILE C 171 23.342 10.555 4.395 1.00 52.38 C ATOM 825 O ILE C 171 24.430 10.150 4.051 1.00 53.54 O ATOM 826 CB ILE C 171 21.449 9.033 5.012 1.00 41.25 C ATOM 827 CG1 ILE C 171 22.432 8.002 5.514 1.00 45.01 C ATOM 828 CG2 ILE C 171 20.280 8.329 4.442 1.00 65.93 C ATOM 829 CD1 ILE C 171 21.988 7.386 6.800 1.00 29.46 C ATOM 830 N GLY C 172 23.190 11.612 5.171 1.00 54.78 N ATOM 831 CA GLY C 172 24.333 12.345 5.649 1.00 57.49 C ATOM 832 C GLY C 172 25.181 11.576 6.617 1.00 51.41 C ATOM 833 O GLY C 172 24.680 10.794 7.449 1.00 39.13 O ATOM 834 N VAL C 173 26.479 11.840 6.550 1.00 40.77 N ATOM 835 CA VAL C 173 27.367 11.108 7.409 1.00 41.79 C ATOM 836 C VAL C 173 27.103 11.405 8.857 1.00 49.64 C ATOM 837 O VAL C 173 27.224 10.507 9.692 1.00 57.35 O ATOM 838 CB VAL C 173 28.833 11.381 7.084 1.00 33.94 C ATOM 839 CG1 VAL C 173 29.684 10.667 8.086 1.00 42.85 C ATOM 840 CG2 VAL C 173 29.154 10.895 5.688 1.00 32.04 C ATOM 841 N SER C 174 26.709 12.639 9.156 1.00 36.48 N ATOM 842 CA SER C 174 26.476 13.037 10.553 1.00 31.84 C ATOM 843 C SER C 174 25.379 12.197 11.136 1.00 35.56 C ATOM 844 O SER C 174 25.353 11.874 12.334 1.00 37.09 O ATOM 845 CB SER C 174 26.082 14.512 10.611 1.00 31.05 C ATOM 846 OG SER C 174 26.134 15.032 9.274 1.00 38.33 O ATOM 847 N THR C 175 24.481 11.814 10.242 1.00 38.93 N ATOM 848 CA THR C 175 23.300 11.066 10.613 1.00 36.21 C ATOM 849 C THR C 175 23.768 9.729 11.130 1.00 43.98 C ATOM 850 O THR C 175 23.362 9.278 12.199 1.00 50.02 O ATOM 851 CB THR C 175 22.388 10.926 9.379 1.00 45.33 C ATOM 852 OG1 THR C 175 22.001 12.234 8.916 1.00 36.10 O ATOM 853 CG2 THR C 175 21.170 10.122 9.717 1.00 47.40 C ATOM 854 N LEU C 176 24.681 9.129 10.381 1.00 50.73 N ATOM 855 CA LEU C 176 25.221 7.827 10.731 1.00 37.35 C ATOM 856 C LEU C 176 25.991 7.788 12.010 1.00 39.99 C ATOM 857 O LEU C 176 25.871 6.856 12.790 1.00 64.04 O ATOM 858 CB LEU C 176 26.111 7.350 9.625 1.00 38.83 C ATOM 859 CG LEU C 176 25.273 7.065 8.389 1.00 60.81 C ATOM 860 CD1 LEU C 176 26.142 6.611 7.223 1.00 68.97 C ATOM 861 CD2 LEU C 176 24.277 6.004 8.749 1.00 51.47 C ATOM 862 N TYR C 177 26.802 8.792 12.236 1.00 38.93 N ATOM 863 CA TYR C 177 27.574 8.792 13.459 1.00 44.87 C ATOM 864 C TYR C 177 26.638 8.974 14.624 1.00 48.82 C ATOM 865 O TYR C 177 27.019 8.776 15.792 1.00 48.86 O ATOM 866 CB TYR C 177 28.624 9.916 13.426 1.00 40.67 C ATOM 867 CG TYR C 177 29.910 9.537 12.723 1.00 50.28 C ATOM 868 CD1 TYR C 177 30.828 8.677 13.330 1.00 54.99 C ATOM 869 CD2 TYR C 177 30.198 10.012 11.444 1.00 52.45 C ATOM 870 CE1 TYR C 177 32.013 8.297 12.677 1.00 74.44 C ATOM 871 CE2 TYR C 177 31.382 9.638 10.778 1.00 60.38 C ATOM 872 CZ TYR C 177 32.297 8.777 11.399 1.00 69.93 C ATOM 873 OH TYR C 177 33.489 8.403 10.757 1.00 38.87 O ATOM 874 N ARG C 178 25.406 9.367 14.298 1.00 54.64 N ATOM 875 CA ARG C 178 24.390 9.596 15.325 1.00 54.50 C ATOM 876 C ARG C 178 23.662 8.314 15.719 1.00 49.63 C ATOM 877 O ARG C 178 23.480 8.051 16.902 1.00 54.56 O ATOM 878 CB ARG C 178 23.377 10.632 14.853 1.00 60.74 C ATOM 879 CG ARG C 178 22.491 11.174 15.985 1.00 58.99 C ATOM 880 CD ARG C 178 21.312 11.943 15.403 1.00 49.32 C ATOM 881 NE ARG C 178 21.789 12.954 14.475 1.00 57.71 N ATOM 882 CZ ARG C 178 21.220 13.242 13.311 1.00 74.94 C ATOM 883 NH1 ARG C 178 21.757 14.188 12.546 1.00 61.12 N ATOM 884 NH2 ARG C 178 20.124 12.598 12.918 1.00 67.49 N ATOM 885 N TYR C 179 23.239 7.528 14.728 1.00 41.58 N ATOM 886 CA TYR C 179 22.559 6.255 14.996 1.00 52.76 C ATOM 887 C TYR C 179 23.579 5.258 15.548 1.00 56.62 C ATOM 888 O TYR C 179 23.291 4.483 16.454 1.00 65.40 O ATOM 889 CB TYR C 179 21.941 5.675 13.711 1.00 67.83 C ATOM 890 CG TYR C 179 20.573 6.212 13.334 1.00 77.25 C ATOM 891 CD1 TYR C 179 20.329 7.578 13.264 1.00 78.52 C ATOM 892 CD2 TYR C 179 19.545 5.347 12.973 1.00 85.56 C ATOM 893 CE1 TYR C 179 19.108 8.069 12.832 1.00 71.98 C ATOM 894 CE2 TYR C 179 18.319 5.828 12.539 1.00 79.62 C ATOM 895 CZ TYR C 179 18.114 7.191 12.456 1.00 74.66 C ATOM 896 OH TYR C 179 16.980 7.666 11.850 1.00 56.12 O ATOM 897 N PHE C 180 24.782 5.291 14.989 1.00 63.22 N ATOM 898 CA PHE C 180 25.842 4.397 15.420 1.00 58.27 C ATOM 899 C PHE C 180 27.138 5.173 15.713 1.00 58.58 C ATOM 900 O PHE C 180 27.893 5.488 14.810 1.00 54.58 O ATOM 901 CB PHE C 180 26.091 3.360 14.327 1.00 54.95 C ATOM 902 CG PHE C 180 24.847 2.899 13.633 1.00 55.33 C ATOM 903 CD1 PHE C 180 24.522 3.376 12.377 1.00 60.17 C ATOM 904 CD2 PHE C 180 24.005 1.974 14.235 1.00 66.98 C ATOM 905 CE1 PHE C 180 23.366 2.928 11.723 1.00 70.38 C ATOM 906 CE2 PHE C 180 22.841 1.520 13.589 1.00 53.84 C ATOM 907 CZ PHE C 180 22.524 1.997 12.331 1.00 63.50 C ATOM 908 N PRO C 181 27.391 5.509 16.982 1.00 50.41 N ATOM 909 CA PRO C 181 28.606 6.245 17.364 1.00 60.84 C ATOM 910 C PRO C 181 29.864 5.378 17.196 1.00 67.87 C ATOM 911 O PRO C 181 29.756 4.159 17.156 1.00 67.74 O ATOM 912 CB PRO C 181 28.352 6.578 18.835 1.00 63.74 C ATOM 913 CG PRO C 181 26.855 6.676 18.897 1.00 56.76 C ATOM 914 CD PRO C 181 26.424 5.487 18.090 1.00 50.73 C ATOM 915 N ALA C 182 31.047 5.993 17.091 1.00 70.87 N ATOM 916 CA ALA C 182 32.297 5.226 16.969 1.00 77.26 C ATOM 917 C ALA C 182 32.533 4.608 18.316 1.00 79.06 C ATOM 918 O ALA C 182 33.596 4.070 18.595 1.00 79.56 O ATOM 919 CB ALA C 182 33.474 6.109 16.606 1.00 60.91 C ATOM 920 N SER C 183 31.550 4.732 19.187 1.00 83.06 N ATOM 921 CA SER C 183 31.653 4.122 20.488 1.00 86.97 C ATOM 922 C SER C 183 30.669 2.909 20.472 1.00 89.49 C ATOM 923 O SER C 183 30.039 2.560 21.481 1.00 89.73 O ATOM 924 CB SER C 183 31.340 5.182 21.549 1.00 88.25 C ATOM 925 OG SER C 183 32.266 6.259 21.384 1.00 82.70 O ATOM 926 N SER C 184 30.565 2.265 19.298 1.00 90.06 N ATOM 927 CA SER C 184 29.681 1.102 19.059 1.00 88.44 C ATOM 928 C SER C 184 30.436 -0.097 18.447 1.00 84.55 C ATOM 929 O SER C 184 30.175 -0.512 17.300 1.00 80.78 O ATOM 930 CB SER C 184 28.527 1.495 18.102 1.00 93.00 C ATOM 931 OG SER C 184 27.847 2.668 18.531 1.00 96.70 O TER 932 SER C 184 HETATM 933 C TRS A 204 20.879 22.580 5.342 1.00 74.85 C HETATM 934 C1 TRS A 204 21.144 22.410 3.807 1.00 81.37 C HETATM 935 C2 TRS A 204 21.688 21.637 6.018 1.00 80.15 C HETATM 936 C3 TRS A 204 19.351 22.463 5.555 1.00 97.24 C HETATM 937 N TRS A 204 21.309 23.930 5.748 1.00 84.27 N HETATM 938 O1 TRS A 204 20.407 21.452 3.176 1.00 84.83 O HETATM 939 O2 TRS A 204 21.188 20.837 7.051 1.00 70.17 O HETATM 940 O3 TRS A 204 18.874 22.603 6.876 1.00 78.63 O HETATM 941 O HOH B 202 30.690 23.170 18.150 1.00 44.51 O HETATM 942 O HOH C 203 17.521 10.978 1.124 1.00 53.81 O CONECT 933 934 935 936 937 CONECT 934 933 938 CONECT 935 933 939 CONECT 936 933 940 CONECT 937 933 CONECT 938 934 CONECT 939 935 CONECT 940 936 MASTER 360 0 1 3 0 0 1 6 939 3 8 8 END
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Entry Information
PDB ID
1jkr
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-INVERTASE HIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
2.28(Å)
Affinity (Kd/Ki/IC50)
Kd=97.4nM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
The EMBO journal. (2002) 21, pp. 801-14
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):
P03013
Entrez Gene ID
NCBI Entrez Gene ID:
1254295
ASD
Information of known allosteric effects of PDB entries
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