Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 30-APR-01 1IJW 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*TP*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*(CBR) COMPND 8 P*TP*TP*AP*TP*CP*AP*AP*AP*AP*AP*C)-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, BR18, 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 1IJW 1 VERSN REVDAT 1 22-FEB-02 1IJW 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. 2.40 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 : MLHL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 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) (%) : 85.4 REMARK 3 NUMBER OF REFLECTIONS : 5435 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) : 0.223 REMARK 3 FREE R VALUE : 0.278 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.400 REMARK 3 FREE R VALUE TEST SET COUNT : 536 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) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.51 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 43.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 337 REMARK 3 BIN R VALUE (WORKING SET) : 0.4240 REMARK 3 BIN FREE R VALUE : 0.4210 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 39 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 : 358 REMARK 3 NUCLEIC ACID ATOMS : 576 REMARK 3 HETEROGEN ATOMS : 17 REMARK 3 SOLVENT ATOMS : 7 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 47.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 40.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 14.66000 REMARK 3 B22 (A**2) : 4.55000 REMARK 3 B33 (A**2) : -19.21000 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) : 0.39 REMARK 3 ESD FROM SIGMAA (A) : 0.57 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) : 0.44 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.52 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.82 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 17.88 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.85 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) : 5.900 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 8.200 ; 3.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 9.800 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 12.600; 3.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.30 REMARK 3 BSOL : 50.00 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 1IJW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAY-01. REMARK 100 THE RCSB ID CODE IS RCSB013347. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JUN-99 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X12C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.917 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 : 5435 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 85.3 REMARK 200 DATA REDUNDANCY : 26.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07900 REMARK 200
FOR THE DATA SET : 16.5900 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.51 REMARK 200 COMPLETENESS FOR SHELL (%) : 43.8 REMARK 200 DATA REDUNDANCY IN SHELL : 1.91 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.27000 REMARK 200
FOR SHELL : 2.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIRAS REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: MIRAS PHASES REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.66 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP VAPOR DIFFUSION AT 4C, REMARK 280 WITH INITIAL CONCENTRATION IN DROP OF 0.13 MM DNA, 0.33 MM REMARK 280 HIN, 46 MMTRIS (PH 8.5), 46 MM CACL2, 63 MM NACL, 11.6% V/V REMARK 280 PEG400, AND 2.03 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%., VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 281K 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 22.29800 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 22.29800 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 42.87450 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.56800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.87450 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.56800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 22.29800 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.87450 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 40.56800 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 22.29800 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.87450 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 40.56800 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 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 CG CD CE NZ REMARK 470 HIS C 147 CB CG ND1 CD2 CE1 NE2 REMARK 470 GLU C 150 CG CD OE1 OE2 REMARK 470 LYS C 158 CG CD CE NZ REMARK 470 GLN C 164 CG CD OE1 NE2 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 DT B 19 C4' DT B 19 C3' -0.093 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 DA B 16 C5' - C4' - C3' ANGL. DEV. = 10.2 DEGREES REMARK 500 DT B 19 O4' - C4' - C3' ANGL. DEV. = 8.7 DEGREES REMARK 500 DT B 19 C5' - C4' - O4' ANGL. DEV. = -12.9 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 SER C 183 61.65 -67.11 REMARK 500 SER C 184 12.53 -176.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA B 16 0.05 SIDE_CHAIN REMARK 500 DA B 28 0.10 SIDE_CHAIN REMARK 500 DC B 29 0.08 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 C 203 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TRS B 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: 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 REMARK 900 RELATED ID: 1JKR RELATED DB: PDB REMARK 900 FORM1 T11C MUTANT DBREF 1IJW C 139 190 UNP P03013 HIN_SALTY 139 190 DBREF 1IJW A 2 15 PDB 1IJW 1IJW 2 15 DBREF 1IJW B 16 29 PDB 1IJW 1IJW 16 29 SEQRES 1 A 14 DT DG DT DT DT DT DT DG DA DT DA DA DG SEQRES 2 A 14 DA SEQRES 1 B 14 DA DT CBR DT DT DA 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 MODRES 1IJW CBR B 18 DC HET CBR B 18 20 HET TRS C 203 8 HET TRS B 204 8 HETNAM CBR 5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE HETNAM TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL HETSYN TRS TRIS BUFFER FORMUL 2 CBR C9 H13 BR N3 O7 P FORMUL 4 TRS 2(C4 H12 N O3 1+) FORMUL 6 HOH *7(H2 O) HELIX 1 1 ASN C 145 LYS C 158 1 14 HELIX 2 2 PRO C 161 GLY C 170 1 10 HELIX 3 3 GLY C 172 PHE C 180 1 9 LINK O3' DT B 17 P CBR B 18 1555 1555 1.59 LINK O3' CBR B 18 P DT B 19 1555 1555 1.71 SITE 1 AC1 3 DG A 9 DC B 23 GLY C 170 SITE 1 AC2 4 DA A 10 DT A 11 DC B 23 DA B 24 CRYST1 85.749 81.136 44.596 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 0.011662 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012325 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022424 0.00000 ATOM 1 O5' DT A 2 -0.200 33.185 5.483 1.00 86.60 O ATOM 2 C5' DT A 2 1.034 33.034 6.203 1.00 83.75 C ATOM 3 C4' DT A 2 0.885 32.157 7.426 1.00 71.42 C ATOM 4 O4' DT A 2 0.664 30.789 7.001 1.00 77.96 O ATOM 5 C3' DT A 2 2.117 32.124 8.335 1.00 77.92 C ATOM 6 O3' DT A 2 1.730 32.088 9.714 1.00 83.30 O ATOM 7 C2' DT A 2 2.807 30.831 7.950 1.00 84.94 C ATOM 8 C1' DT A 2 1.640 29.935 7.575 1.00 81.92 C ATOM 9 N1 DT A 2 1.984 28.885 6.587 1.00 85.02 N ATOM 10 C2 DT A 2 1.216 27.740 6.562 1.00 76.36 C ATOM 11 O2 DT A 2 0.255 27.570 7.294 1.00 74.68 O ATOM 12 N3 DT A 2 1.626 26.794 5.648 1.00 76.14 N ATOM 13 C4 DT A 2 2.710 26.876 4.785 1.00 84.33 C ATOM 14 O4 DT A 2 2.976 25.931 4.040 1.00 88.63 O ATOM 15 C5 DT A 2 3.462 28.114 4.854 1.00 83.67 C ATOM 16 C7 DT A 2 4.646 28.300 3.955 1.00 74.86 C ATOM 17 C6 DT A 2 3.061 29.045 5.733 1.00 87.22 C ATOM 18 P DG A 3 2.843 31.829 10.851 1.00 95.00 P ATOM 19 OP1 DG A 3 2.595 32.813 11.943 1.00 92.84 O ATOM 20 OP2 DG A 3 4.208 31.718 10.252 1.00 88.46 O ATOM 21 O5' DG A 3 2.461 30.389 11.404 1.00 84.06 O ATOM 22 C5' DG A 3 1.286 30.199 12.181 1.00 65.16 C ATOM 23 C4' DG A 3 1.445 28.957 13.016 1.00 60.60 C ATOM 24 O4' DG A 3 1.338 27.795 12.152 1.00 42.03 O ATOM 25 C3' DG A 3 2.839 28.903 13.636 1.00 57.19 C ATOM 26 O3' DG A 3 2.803 28.319 14.938 1.00 58.88 O ATOM 27 C2' DG A 3 3.606 28.034 12.666 1.00 50.28 C ATOM 28 C1' DG A 3 2.542 27.070 12.168 1.00 39.78 C ATOM 29 N9 DG A 3 2.798 26.600 10.812 1.00 39.07 N ATOM 30 C8 DG A 3 3.265 27.339 9.755 1.00 28.98 C ATOM 31 N7 DG A 3 3.466 26.624 8.681 1.00 32.19 N ATOM 32 C5 DG A 3 3.091 25.341 9.045 1.00 31.06 C ATOM 33 C6 DG A 3 3.103 24.138 8.297 1.00 37.30 C ATOM 34 O6 DG A 3 3.467 23.970 7.124 1.00 39.57 O ATOM 35 N1 DG A 3 2.637 23.057 9.056 1.00 34.68 N ATOM 36 C2 DG A 3 2.215 23.140 10.371 1.00 32.39 C ATOM 37 N2 DG A 3 1.802 22.011 10.947 1.00 27.31 N ATOM 38 N3 DG A 3 2.203 24.262 11.071 1.00 29.48 N ATOM 39 C4 DG A 3 2.656 25.311 10.353 1.00 34.41 C ATOM 40 P DT A 4 4.169 28.108 15.751 1.00 67.47 P ATOM 41 OP1 DT A 4 4.044 28.803 17.055 1.00 67.61 O ATOM 42 OP2 DT A 4 5.331 28.393 14.869 1.00 67.04 O ATOM 43 O5' DT A 4 4.129 26.559 16.061 1.00 53.91 O ATOM 44 C5' DT A 4 2.901 25.958 16.409 1.00 39.46 C ATOM 45 C4' DT A 4 3.093 24.474 16.578 1.00 41.14 C ATOM 46 O4' DT A 4 3.196 23.818 15.293 1.00 43.47 O ATOM 47 C3' DT A 4 4.359 24.121 17.340 1.00 31.69 C ATOM 48 O3' DT A 4 4.046 23.048 18.214 1.00 35.25 O ATOM 49 C2' DT A 4 5.332 23.706 16.245 1.00 32.21 C ATOM 50 C1' DT A 4 4.426 23.129 15.172 1.00 26.36 C ATOM 51 N1 DT A 4 4.901 23.367 13.809 1.00 34.54 N ATOM 52 C2 DT A 4 4.914 22.317 12.928 1.00 30.02 C ATOM 53 O2 DT A 4 4.597 21.190 13.239 1.00 32.05 O ATOM 54 N3 DT A 4 5.330 22.634 11.662 1.00 24.18 N ATOM 55 C4 DT A 4 5.740 23.859 11.196 1.00 28.57 C ATOM 56 O4 DT A 4 6.086 23.982 10.022 1.00 31.58 O ATOM 57 C5 DT A 4 5.723 24.925 12.182 1.00 25.69 C ATOM 58 C7 DT A 4 6.156 26.296 11.777 1.00 25.67 C ATOM 59 C6 DT A 4 5.310 24.626 13.426 1.00 25.90 C ATOM 60 P DT A 5 5.185 22.420 19.127 1.00 41.35 P ATOM 61 OP1 DT A 5 4.536 21.902 20.365 1.00 33.32 O ATOM 62 OP2 DT A 5 6.250 23.446 19.223 1.00 45.49 O ATOM 63 O5' DT A 5 5.636 21.166 18.265 1.00 43.40 O ATOM 64 C5' DT A 5 4.645 20.256 17.826 1.00 49.09 C ATOM 65 C4' DT A 5 5.274 19.064 17.157 1.00 44.00 C ATOM 66 O4' DT A 5 5.628 19.379 15.792 1.00 49.93 O ATOM 67 C3' DT A 5 6.537 18.541 17.836 1.00 39.04 C ATOM 68 O3' DT A 5 6.447 17.114 17.928 1.00 37.64 O ATOM 69 C2' DT A 5 7.656 19.007 16.908 1.00 40.90 C ATOM 70 C1' DT A 5 6.978 19.019 15.541 1.00 27.95 C ATOM 71 N1 DT A 5 7.507 19.993 14.578 1.00 33.54 N ATOM 72 C2 DT A 5 7.711 19.596 13.272 1.00 34.54 C ATOM 73 O2 DT A 5 7.509 18.462 12.876 1.00 36.88 O ATOM 74 N3 DT A 5 8.162 20.586 12.441 1.00 28.37 N ATOM 75 C4 DT A 5 8.433 21.896 12.780 1.00 29.55 C ATOM 76 O4 DT A 5 8.840 22.680 11.925 1.00 27.43 O ATOM 77 C5 DT A 5 8.217 22.231 14.164 1.00 29.03 C ATOM 78 C7 DT A 5 8.520 23.616 14.629 1.00 21.05 C ATOM 79 C6 DT A 5 7.767 21.278 14.982 1.00 34.52 C ATOM 80 P DT A 6 7.457 16.305 18.875 1.00 55.63 P ATOM 81 OP1 DT A 6 6.666 15.341 19.670 1.00 54.03 O ATOM 82 OP2 DT A 6 8.379 17.240 19.562 1.00 55.94 O ATOM 83 O5' DT A 6 8.291 15.479 17.809 1.00 58.64 O ATOM 84 C5' DT A 6 7.641 14.946 16.656 1.00 61.51 C ATOM 85 C4' DT A 6 8.667 14.585 15.610 1.00 54.66 C ATOM 86 O4' DT A 6 9.030 15.712 14.770 1.00 39.03 O ATOM 87 C3' DT A 6 9.962 14.085 16.235 1.00 42.18 C ATOM 88 O3' DT A 6 10.412 12.958 15.509 1.00 48.78 O ATOM 89 C2' DT A 6 10.921 15.249 16.051 1.00 38.43 C ATOM 90 C1' DT A 6 10.441 15.815 14.728 1.00 20.57 C ATOM 91 N1 DT A 6 10.791 17.222 14.450 1.00 18.62 N ATOM 92 C2 DT A 6 10.908 17.574 13.125 1.00 25.88 C ATOM 93 O2 DT A 6 10.791 16.763 12.208 1.00 29.80 O ATOM 94 N3 DT A 6 11.167 18.908 12.907 1.00 27.20 N ATOM 95 C4 DT A 6 11.322 19.890 13.862 1.00 26.24 C ATOM 96 O4 DT A 6 11.491 21.052 13.521 1.00 32.11 O ATOM 97 C5 DT A 6 11.245 19.437 15.234 1.00 26.13 C ATOM 98 C7 DT A 6 11.476 20.427 16.334 1.00 19.16 C ATOM 99 C6 DT A 6 10.978 18.142 15.458 1.00 16.08 C ATOM 100 P DT A 7 11.499 11.986 16.164 1.00 56.63 P ATOM 101 OP1 DT A 7 10.853 10.668 16.292 1.00 32.78 O ATOM 102 OP2 DT A 7 12.093 12.635 17.359 1.00 45.17 O ATOM 103 O5' DT A 7 12.559 11.891 14.995 1.00 40.51 O ATOM 104 C5' DT A 7 12.082 11.704 13.676 1.00 49.02 C ATOM 105 C4' DT A 7 12.996 12.373 12.685 1.00 54.18 C ATOM 106 O4' DT A 7 12.942 13.816 12.859 1.00 39.66 O ATOM 107 C3' DT A 7 14.467 11.969 12.804 1.00 52.48 C ATOM 108 O3' DT A 7 14.915 11.431 11.567 1.00 54.69 O ATOM 109 C2' DT A 7 15.181 13.269 13.138 1.00 56.95 C ATOM 110 C1' DT A 7 14.223 14.335 12.620 1.00 42.85 C ATOM 111 N1 DT A 7 14.323 15.631 13.313 1.00 31.43 N ATOM 112 C2 DT A 7 14.480 16.761 12.542 1.00 28.89 C ATOM 113 O2 DT A 7 14.536 16.731 11.316 1.00 36.23 O ATOM 114 N3 DT A 7 14.576 17.930 13.254 1.00 23.31 N ATOM 115 C4 DT A 7 14.532 18.082 14.630 1.00 25.33 C ATOM 116 O4 DT A 7 14.623 19.208 15.130 1.00 29.37 O ATOM 117 C5 DT A 7 14.370 16.852 15.382 1.00 20.38 C ATOM 118 C7 DT A 7 14.311 16.913 16.878 1.00 14.96 C ATOM 119 C6 DT A 7 14.274 15.701 14.693 1.00 23.61 C ATOM 120 P DT A 8 16.472 11.125 11.341 1.00 49.70 P ATOM 121 OP1 DT A 8 16.601 9.867 10.573 1.00 42.87 O ATOM 122 OP2 DT A 8 17.210 11.291 12.616 1.00 36.69 O ATOM 123 O5' DT A 8 16.840 12.258 10.310 1.00 50.73 O ATOM 124 C5' DT A 8 15.984 12.461 9.209 1.00 38.65 C ATOM 125 C4' DT A 8 16.533 13.550 8.335 1.00 27.20 C ATOM 126 O4' DT A 8 16.454 14.789 9.061 1.00 27.41 O ATOM 127 C3' DT A 8 18.002 13.341 7.984 1.00 19.23 C ATOM 128 O3' DT A 8 18.201 13.577 6.603 1.00 26.74 O ATOM 129 C2' DT A 8 18.740 14.367 8.825 1.00 29.46 C ATOM 130 C1' DT A 8 17.704 15.454 9.054 1.00 10.01 C ATOM 131 N1 DT A 8 17.831 16.113 10.362 1.00 28.00 N ATOM 132 C2 DT A 8 18.027 17.480 10.417 1.00 26.58 C ATOM 133 O2 DT A 8 18.182 18.162 9.430 1.00 29.87 O ATOM 134 N3 DT A 8 18.057 18.009 11.682 1.00 17.37 N ATOM 135 C4 DT A 8 17.942 17.314 12.870 1.00 24.70 C ATOM 136 O4 DT A 8 17.962 17.919 13.941 1.00 23.06 O ATOM 137 C5 DT A 8 17.794 15.869 12.734 1.00 23.36 C ATOM 138 C7 DT A 8 17.720 15.024 13.973 1.00 21.94 C ATOM 139 C6 DT A 8 17.737 15.354 11.505 1.00 20.59 C ATOM 140 P DG A 9 19.508 13.003 5.904 1.00 34.91 P ATOM 141 OP1 DG A 9 19.160 12.722 4.478 1.00 23.23 O ATOM 142 OP2 DG A 9 20.068 11.931 6.763 1.00 27.26 O ATOM 143 O5' DG A 9 20.506 14.230 5.969 1.00 44.70 O ATOM 144 C5' DG A 9 20.224 15.422 5.251 1.00 34.36 C ATOM 145 C4' DG A 9 21.220 16.487 5.634 1.00 27.67 C ATOM 146 O4' DG A 9 21.009 16.914 7.004 1.00 32.54 O ATOM 147 C3' DG A 9 22.668 16.018 5.577 1.00 37.40 C ATOM 148 O3' DG A 9 23.439 17.124 5.171 1.00 40.36 O ATOM 149 C2' DG A 9 22.986 15.715 7.032 1.00 27.84 C ATOM 150 C1' DG A 9 22.229 16.830 7.708 1.00 11.38 C ATOM 151 N9 DG A 9 21.930 16.627 9.116 1.00 19.76 N ATOM 152 C8 DG A 9 21.696 15.433 9.737 1.00 24.27 C ATOM 153 N7 DG A 9 21.464 15.557 11.015 1.00 29.26 N ATOM 154 C5 DG A 9 21.539 16.918 11.255 1.00 15.10 C ATOM 155 C6 DG A 9 21.363 17.649 12.474 1.00 19.37 C ATOM 156 O6 DG A 9 21.102 17.199 13.610 1.00 24.93 O ATOM 157 N1 DG A 9 21.525 19.030 12.278 1.00 13.79 N ATOM 158 C2 DG A 9 21.828 19.619 11.066 1.00 25.21 C ATOM 159 N2 DG A 9 21.967 20.947 11.088 1.00 35.89 N ATOM 160 N3 DG A 9 21.988 18.948 9.917 1.00 14.66 N ATOM 161 C4 DG A 9 21.829 17.602 10.092 1.00 16.71 C ATOM 162 P DA A 10 24.742 16.905 4.303 1.00 41.89 P ATOM 163 OP1 DA A 10 24.341 16.674 2.900 1.00 24.32 O ATOM 164 OP2 DA A 10 25.589 15.908 4.994 1.00 40.61 O ATOM 165 O5' DA A 10 25.452 18.323 4.406 1.00 49.78 O ATOM 166 C5' DA A 10 24.722 19.508 4.130 1.00 33.67 C ATOM 167 C4' DA A 10 25.207 20.648 4.997 1.00 28.88 C ATOM 168 O4' DA A 10 24.813 20.505 6.380 1.00 31.90 O ATOM 169 C3' DA A 10 26.705 20.909 5.016 1.00 32.63 C ATOM 170 O3' DA A 10 26.868 22.317 4.945 1.00 49.84 O ATOM 171 C2' DA A 10 27.153 20.351 6.361 1.00 39.06 C ATOM 172 C1' DA A 10 25.935 20.547 7.249 1.00 23.85 C ATOM 173 N9 DA A 10 25.722 19.496 8.248 1.00 29.49 N ATOM 174 C8 DA A 10 25.617 18.149 7.996 1.00 32.60 C ATOM 175 N7 DA A 10 25.378 17.432 9.063 1.00 33.89 N ATOM 176 C5 DA A 10 25.322 18.362 10.090 1.00 26.38 C ATOM 177 C6 DA A 10 25.096 18.232 11.474 1.00 31.21 C ATOM 178 N6 DA A 10 24.786 17.080 12.059 1.00 30.85 N ATOM 179 N1 DA A 10 25.170 19.349 12.238 1.00 26.98 N ATOM 180 C2 DA A 10 25.397 20.516 11.624 1.00 29.00 C ATOM 181 N3 DA A 10 25.583 20.767 10.326 1.00 26.80 N ATOM 182 C4 DA A 10 25.548 19.636 9.608 1.00 22.64 C ATOM 183 P DT A 11 28.311 22.938 4.699 1.00 48.82 P ATOM 184 OP1 DT A 11 28.083 24.209 3.953 1.00 44.61 O ATOM 185 OP2 DT A 11 29.175 21.889 4.110 1.00 47.77 O ATOM 186 O5' DT A 11 28.783 23.252 6.183 1.00 25.89 O ATOM 187 C5' DT A 11 27.853 23.774 7.134 1.00 21.29 C ATOM 188 C4' DT A 11 28.468 23.781 8.515 1.00 30.85 C ATOM 189 O4' DT A 11 28.037 22.672 9.354 1.00 46.96 O ATOM 190 C3' DT A 11 29.994 23.732 8.495 1.00 44.03 C ATOM 191 O3' DT A 11 30.509 24.676 9.408 1.00 53.39 O ATOM 192 C2' DT A 11 30.308 22.353 9.030 1.00 49.14 C ATOM 193 C1' DT A 11 29.178 22.152 10.019 1.00 39.19 C ATOM 194 N1 DT A 11 28.947 20.726 10.334 1.00 26.75 N ATOM 195 C2 DT A 11 28.660 20.346 11.636 1.00 28.16 C ATOM 196 O2 DT A 11 28.520 21.141 12.547 1.00 43.11 O ATOM 197 N3 DT A 11 28.532 18.983 11.823 1.00 23.29 N ATOM 198 C4 DT A 11 28.637 17.997 10.851 1.00 19.03 C ATOM 199 O4 DT A 11 28.468 16.826 11.153 1.00 22.59 O ATOM 200 C5 DT A 11 28.933 18.475 9.510 1.00 13.53 C ATOM 201 C7 DT A 11 29.103 17.492 8.396 1.00 13.81 C ATOM 202 C6 DT A 11 29.055 19.794 9.327 1.00 21.30 C ATOM 203 P DA A 12 31.875 25.433 9.069 1.00 56.00 P ATOM 204 OP1 DA A 12 31.517 26.674 8.339 1.00 54.09 O ATOM 205 OP2 DA A 12 32.820 24.471 8.462 1.00 57.85 O ATOM 206 O5' DA A 12 32.391 25.816 10.516 1.00 36.06 O ATOM 207 C5' DA A 12 31.469 26.259 11.492 1.00 46.83 C ATOM 208 C4' DA A 12 31.850 25.702 12.838 1.00 52.96 C ATOM 209 O4' DA A 12 31.546 24.291 12.909 1.00 61.39 O ATOM 210 C3' DA A 12 33.338 25.825 13.137 1.00 53.42 C ATOM 211 O3' DA A 12 33.503 26.171 14.500 1.00 62.91 O ATOM 212 C2' DA A 12 33.876 24.428 12.874 1.00 48.51 C ATOM 213 C1' DA A 12 32.706 23.562 13.279 1.00 33.14 C ATOM 214 N9 DA A 12 32.632 22.265 12.608 1.00 33.75 N ATOM 215 C8 DA A 12 32.929 21.934 11.303 1.00 28.68 C ATOM 216 N7 DA A 12 32.719 20.666 11.022 1.00 35.55 N ATOM 217 C5 DA A 12 32.255 20.132 12.220 1.00 33.48 C ATOM 218 C6 DA A 12 31.844 18.838 12.587 1.00 29.47 C ATOM 219 N6 DA A 12 31.816 17.804 11.750 1.00 20.46 N ATOM 220 N1 DA A 12 31.453 18.642 13.869 1.00 29.52 N ATOM 221 C2 DA A 12 31.471 19.681 14.708 1.00 33.75 C ATOM 222 N3 DA A 12 31.824 20.943 14.479 1.00 37.43 N ATOM 223 C4 DA A 12 32.211 21.102 13.204 1.00 34.68 C ATOM 224 P DA A 13 34.876 26.830 14.984 1.00 71.49 P ATOM 225 OP1 DA A 13 34.502 28.166 15.500 1.00 71.58 O ATOM 226 OP2 DA A 13 35.908 26.706 13.920 1.00 62.28 O ATOM 227 O5' DA A 13 35.280 25.896 16.200 1.00 61.40 O ATOM 228 C5' DA A 13 34.275 25.439 17.093 1.00 60.19 C ATOM 229 C4' DA A 13 34.669 24.106 17.670 1.00 45.64 C ATOM 230 O4' DA A 13 34.440 23.026 16.727 1.00 59.66 O ATOM 231 C3' DA A 13 36.145 24.041 18.042 1.00 51.25 C ATOM 232 O3' DA A 13 36.252 23.390 19.293 1.00 54.14 O ATOM 233 C2' DA A 13 36.754 23.180 16.944 1.00 44.03 C ATOM 234 C1' DA A 13 35.609 22.224 16.647 1.00 47.18 C ATOM 235 N9 DA A 13 35.632 21.577 15.333 1.00 36.57 N ATOM 236 C8 DA A 13 35.988 22.123 14.126 1.00 34.05 C ATOM 237 N7 DA A 13 35.902 21.287 13.120 1.00 33.41 N ATOM 238 C5 DA A 13 35.453 20.110 13.701 1.00 21.92 C ATOM 239 C6 DA A 13 35.158 18.823 13.159 1.00 16.98 C ATOM 240 N6 DA A 13 35.293 18.502 11.863 1.00 16.09 N ATOM 241 N1 DA A 13 34.728 17.874 14.015 1.00 20.23 N ATOM 242 C2 DA A 13 34.630 18.185 15.319 1.00 30.42 C ATOM 243 N3 DA A 13 34.886 19.340 15.942 1.00 25.05 N ATOM 244 C4 DA A 13 35.289 20.272 15.065 1.00 30.19 C ATOM 245 P DG A 14 37.572 23.569 20.156 1.00 75.95 P ATOM 246 OP1 DG A 14 37.199 24.184 21.452 1.00 60.72 O ATOM 247 OP2 DG A 14 38.571 24.221 19.279 1.00 70.80 O ATOM 248 O5' DG A 14 37.992 22.069 20.433 1.00 69.32 O ATOM 249 C5' DG A 14 37.030 21.155 20.933 1.00 59.58 C ATOM 250 C4' DG A 14 37.432 19.743 20.594 1.00 52.25 C ATOM 251 O4' DG A 14 37.209 19.451 19.194 1.00 57.93 O ATOM 252 C3' DG A 14 38.907 19.457 20.854 1.00 43.82 C ATOM 253 O3' DG A 14 39.001 18.172 21.439 1.00 59.81 O ATOM 254 C2' DG A 14 39.522 19.455 19.465 1.00 36.42 C ATOM 255 C1' DG A 14 38.383 18.850 18.677 1.00 44.13 C ATOM 256 N9 DG A 14 38.418 19.043 17.231 1.00 33.75 N ATOM 257 C8 DG A 14 38.673 20.190 16.527 1.00 37.99 C ATOM 258 N7 DG A 14 38.697 20.000 15.235 1.00 38.61 N ATOM 259 C5 DG A 14 38.422 18.651 15.083 1.00 29.86 C ATOM 260 C6 DG A 14 38.324 17.862 13.910 1.00 30.22 C ATOM 261 O6 DG A 14 38.448 18.220 12.728 1.00 35.54 O ATOM 262 N1 DG A 14 38.048 16.536 14.213 1.00 22.05 N ATOM 263 C2 DG A 14 37.850 16.043 15.491 1.00 25.71 C ATOM 264 N2 DG A 14 37.555 14.733 15.606 1.00 21.19 N ATOM 265 N3 DG A 14 37.927 16.779 16.586 1.00 16.94 N ATOM 266 C4 DG A 14 38.226 18.055 16.307 1.00 29.65 C ATOM 267 P DA A 15 38.928 18.042 23.026 1.00 67.34 P ATOM 268 OP1 DA A 15 39.558 16.755 23.444 1.00 68.07 O ATOM 269 OP2 DA A 15 37.516 18.328 23.393 1.00 73.37 O ATOM 270 O5' DA A 15 39.835 19.246 23.525 1.00 61.86 O ATOM 271 C5' DA A 15 41.222 19.266 23.234 1.00 65.02 C ATOM 272 C4' DA A 15 41.944 20.174 24.200 1.00 65.37 C ATOM 273 O4' DA A 15 41.703 19.729 25.563 1.00 66.52 O ATOM 274 C3' DA A 15 43.461 20.151 24.013 1.00 68.43 C ATOM 275 O3' DA A 15 44.050 21.405 24.377 1.00 80.86 O ATOM 276 C2' DA A 15 43.904 19.149 25.060 1.00 60.25 C ATOM 277 C1' DA A 15 42.946 19.481 26.191 1.00 45.22 C ATOM 278 N9 DA A 15 42.794 18.408 27.174 1.00 38.55 N ATOM 279 C8 DA A 15 42.326 17.134 26.984 1.00 35.09 C ATOM 280 N7 DA A 15 42.413 16.375 28.052 1.00 44.62 N ATOM 281 C5 DA A 15 42.951 17.213 29.021 1.00 40.88 C ATOM 282 C6 DA A 15 43.308 17.007 30.381 1.00 41.83 C ATOM 283 N6 DA A 15 43.167 15.848 31.028 1.00 43.68 N ATOM 284 N1 DA A 15 43.830 18.054 31.057 1.00 39.17 N ATOM 285 C2 DA A 15 43.984 19.221 30.412 1.00 40.25 C ATOM 286 N3 DA A 15 43.688 19.536 29.148 1.00 42.99 N ATOM 287 C4 DA A 15 43.171 18.476 28.499 1.00 38.57 C TER 288 DA A 15 ATOM 289 O5' DA B 16 42.706 17.683 3.038 1.00 57.09 O ATOM 290 C5' DA B 16 43.214 16.856 1.995 1.00 68.02 C ATOM 291 C4' DA B 16 43.713 15.470 2.345 1.00 57.17 C ATOM 292 O4' DA B 16 44.887 15.581 3.190 1.00 46.00 O ATOM 293 C3'A DA B 16 42.878 14.344 2.964 0.50 60.02 C ATOM 294 C3'B DA B 16 42.604 14.841 3.197 0.50 51.92 C ATOM 295 O3'A DA B 16 43.314 13.129 2.307 0.50 58.13 O ATOM 296 O3'B DA B 16 41.825 13.799 2.617 0.50 40.53 O ATOM 297 C2' DA B 16 43.290 14.347 4.442 1.00 51.37 C ATOM 298 C1' DA B 16 44.699 14.929 4.436 1.00 23.13 C ATOM 299 N9 DA B 16 44.617 15.973 5.444 1.00 27.32 N ATOM 300 C8 DA B 16 44.406 17.316 5.243 1.00 30.25 C ATOM 301 N7 DA B 16 44.192 17.992 6.347 1.00 34.55 N ATOM 302 C5 DA B 16 44.312 17.041 7.343 1.00 31.39 C ATOM 303 C6 DA B 16 44.230 17.129 8.723 1.00 25.47 C ATOM 304 N6 DA B 16 43.960 18.258 9.370 1.00 38.01 N ATOM 305 N1 DA B 16 44.446 16.006 9.435 1.00 19.74 N ATOM 306 C2 DA B 16 44.727 14.871 8.783 1.00 13.98 C ATOM 307 N3 DA B 16 44.833 14.657 7.475 1.00 15.70 N ATOM 308 C4 DA B 16 44.612 15.796 6.803 1.00 24.53 C ATOM 309 P A DT B 17 42.706 11.706 2.738 0.50 62.57 P ATOM 310 P B DT B 17 40.316 13.565 3.157 0.50 21.88 P ATOM 311 OP1A DT B 17 43.751 10.662 2.623 0.50 54.21 O ATOM 312 OP1B DT B 17 39.637 12.613 2.243 0.50 26.61 O ATOM 313 OP2A DT B 17 41.409 11.521 2.039 0.50 61.55 O ATOM 314 OP2B DT B 17 39.693 14.885 3.417 0.50 19.39 O ATOM 315 O5'A DT B 17 42.427 11.910 4.282 0.50 43.16 O ATOM 316 O5'B DT B 17 40.503 12.848 4.582 0.50 21.05 O ATOM 317 C5'A DT B 17 41.127 11.781 4.789 0.50 40.76 C ATOM 318 C5'B DT B 17 41.282 11.651 4.685 0.50 25.51 C ATOM 319 C4'A DT B 17 41.182 10.994 6.069 0.50 39.75 C ATOM 320 C4'B DT B 17 41.185 11.010 6.058 0.50 38.17 C ATOM 321 O4' DT B 17 41.872 11.781 7.071 1.00 21.79 O ATOM 322 C3' DT B 17 39.803 10.676 6.625 1.00 40.19 C ATOM 323 O3' DT B 17 39.800 9.359 7.121 1.00 64.50 O ATOM 324 C2' DT B 17 39.641 11.635 7.778 1.00 48.63 C ATOM 325 C1' DT B 17 41.063 11.908 8.227 1.00 34.28 C ATOM 326 N1 DT B 17 41.140 13.298 8.679 1.00 26.22 N ATOM 327 C2 DT B 17 41.215 13.539 10.026 1.00 21.92 C ATOM 328 O2 DT B 17 41.321 12.650 10.853 1.00 36.60 O ATOM 329 N3 DT B 17 41.153 14.869 10.378 1.00 15.82 N ATOM 330 C4 DT B 17 41.036 15.947 9.531 1.00 19.80 C ATOM 331 O4 DT B 17 40.978 17.084 9.997 1.00 31.87 O ATOM 332 C5 DT B 17 40.994 15.613 8.110 1.00 14.60 C ATOM 333 C7 DT B 17 40.852 16.715 7.110 1.00 12.59 C ATOM 334 C6 DT B 17 41.071 14.328 7.763 1.00 20.42 C HETATM 335 BR CBR B 18 37.473 14.543 8.035 0.66 42.14 BR HETATM 336 P CBR B 18 38.420 8.587 7.249 1.00 73.77 P HETATM 337 OP1 CBR B 18 38.746 7.157 7.004 1.00 59.95 O HETATM 338 OP2 CBR B 18 37.406 9.290 6.409 1.00 61.29 O HETATM 339 O5' CBR B 18 38.082 8.794 8.779 1.00 47.28 O HETATM 340 N1 CBR B 18 37.589 12.335 11.499 1.00 23.23 N HETATM 341 C6 CBR B 18 37.513 12.707 10.193 1.00 16.44 C HETATM 342 C2 CBR B 18 37.681 13.302 12.512 1.00 29.23 C HETATM 343 O2 CBR B 18 37.698 12.924 13.686 1.00 34.62 O HETATM 344 N3 CBR B 18 37.736 14.619 12.175 1.00 24.48 N HETATM 345 C4 CBR B 18 37.676 14.970 10.884 1.00 25.41 C HETATM 346 N4 CBR B 18 37.729 16.278 10.582 1.00 31.04 N HETATM 347 C5 CBR B 18 37.557 13.989 9.841 1.00 15.18 C HETATM 348 C2' CBR B 18 36.492 10.074 11.272 1.00 20.27 C HETATM 349 C5' CBR B 18 39.090 8.576 9.729 1.00 35.34 C HETATM 350 C4' CBR B 18 38.596 8.960 11.095 1.00 24.48 C HETATM 351 O4' CBR B 18 38.802 10.368 11.356 1.00 31.58 O HETATM 352 C1' CBR B 18 37.604 10.920 11.867 1.00 14.98 C HETATM 353 C3' CBR B 18 37.110 8.686 11.302 1.00 21.53 C HETATM 354 O3' CBR B 18 36.768 7.972 12.436 1.00 25.19 O ATOM 355 P DT B 19 35.445 7.151 13.145 1.00 44.70 P ATOM 356 OP1 DT B 19 35.764 5.864 13.813 1.00 45.93 O ATOM 357 OP2 DT B 19 34.592 7.174 11.934 1.00 27.12 O ATOM 358 O5' DT B 19 34.870 8.156 14.221 1.00 24.66 O ATOM 359 C5' DT B 19 35.397 9.458 14.349 1.00 35.84 C ATOM 360 C4' DT B 19 34.912 9.966 15.614 1.00 37.02 C ATOM 361 O4' DT B 19 35.270 11.318 15.389 1.00 53.59 O ATOM 362 C3' DT B 19 33.543 9.761 15.966 1.00 45.07 C ATOM 363 O3' DT B 19 33.215 9.619 17.349 1.00 34.57 O ATOM 364 C2' DT B 19 32.946 11.036 15.384 1.00 41.00 C ATOM 365 C1' DT B 19 34.071 12.061 15.482 1.00 43.07 C ATOM 366 N1 DT B 19 34.106 13.054 14.395 1.00 22.36 N ATOM 367 C2 DT B 19 34.247 14.387 14.716 1.00 25.15 C ATOM 368 O2 DT B 19 34.205 14.798 15.872 1.00 36.14 O ATOM 369 N3 DT B 19 34.402 15.231 13.630 1.00 18.08 N ATOM 370 C4 DT B 19 34.357 14.878 12.293 1.00 24.05 C ATOM 371 O4 DT B 19 34.502 15.735 11.412 1.00 27.95 O ATOM 372 C5 DT B 19 34.133 13.468 12.038 1.00 21.65 C ATOM 373 C7 DT B 19 34.034 12.999 10.624 1.00 30.54 C ATOM 374 C6 DT B 19 34.029 12.642 13.086 1.00 19.89 C ATOM 375 P DT B 20 31.690 9.369 17.794 1.00 39.80 P ATOM 376 OP1 DT B 20 31.677 8.466 18.968 1.00 24.96 O ATOM 377 OP2 DT B 20 30.876 9.023 16.607 1.00 37.51 O ATOM 378 O5' DT B 20 31.266 10.796 18.346 1.00 33.77 O ATOM 379 C5' DT B 20 32.013 11.387 19.406 1.00 32.06 C ATOM 380 C4' DT B 20 31.553 12.800 19.670 1.00 26.27 C ATOM 381 O4' DT B 20 31.963 13.660 18.576 1.00 38.67 O ATOM 382 C3' DT B 20 30.031 12.917 19.777 1.00 44.02 C ATOM 383 O3' DT B 20 29.624 13.447 21.025 1.00 40.25 O ATOM 384 C2' DT B 20 29.621 13.836 18.638 1.00 30.17 C ATOM 385 C1' DT B 20 30.905 14.546 18.245 1.00 23.51 C ATOM 386 N1 DT B 20 30.970 14.822 16.790 1.00 22.07 N ATOM 387 C2 DT B 20 31.324 16.088 16.379 1.00 25.59 C ATOM 388 O2 DT B 20 31.582 16.990 17.153 1.00 35.88 O ATOM 389 N3 DT B 20 31.353 16.262 15.019 1.00 24.98 N ATOM 390 C4 DT B 20 31.060 15.322 14.054 1.00 33.05 C ATOM 391 O4 DT B 20 31.133 15.614 12.876 1.00 36.84 O ATOM 392 C5 DT B 20 30.689 14.031 14.548 1.00 28.36 C ATOM 393 C7 DT B 20 30.345 12.957 13.564 1.00 33.48 C ATOM 394 C6 DT B 20 30.667 13.842 15.876 1.00 19.71 C ATOM 395 P DA B 21 28.085 13.330 21.458 1.00 48.87 P ATOM 396 OP1 DA B 21 27.959 12.884 22.880 1.00 44.40 O ATOM 397 OP2 DA B 21 27.416 12.564 20.390 1.00 23.82 O ATOM 398 O5' DA B 21 27.637 14.853 21.426 1.00 53.99 O ATOM 399 C5' DA B 21 28.433 15.816 22.103 1.00 46.91 C ATOM 400 C4' DA B 21 28.080 17.205 21.643 1.00 45.55 C ATOM 401 O4' DA B 21 28.390 17.331 20.235 1.00 34.66 O ATOM 402 C3' DA B 21 26.604 17.555 21.792 1.00 40.07 C ATOM 403 O3' DA B 21 26.509 18.892 22.276 1.00 50.03 O ATOM 404 C2' DA B 21 26.052 17.388 20.384 1.00 30.52 C ATOM 405 C1' DA B 21 27.240 17.732 19.506 1.00 20.06 C ATOM 406 N9 DA B 21 27.271 17.039 18.216 1.00 25.92 N ATOM 407 C8 DA B 21 26.995 15.709 17.981 1.00 32.18 C ATOM 408 N7 DA B 21 27.114 15.361 16.721 1.00 30.46 N ATOM 409 C5 DA B 21 27.487 16.536 16.079 1.00 20.72 C ATOM 410 C6 DA B 21 27.756 16.837 14.711 1.00 17.82 C ATOM 411 N6 DA B 21 27.689 15.937 13.728 1.00 18.05 N ATOM 412 N1 DA B 21 28.093 18.119 14.398 1.00 14.94 N ATOM 413 C2 DA B 21 28.154 19.021 15.401 1.00 26.84 C ATOM 414 N3 DA B 21 27.926 18.852 16.715 1.00 25.09 N ATOM 415 C4 DA B 21 27.590 17.578 16.987 1.00 15.95 C ATOM 416 P DT B 22 25.091 19.628 22.318 1.00 46.03 P ATOM 417 OP1 DT B 22 25.069 20.452 23.544 1.00 33.83 O ATOM 418 OP2 DT B 22 24.005 18.654 22.077 1.00 59.00 O ATOM 419 O5' DT B 22 25.179 20.594 21.062 1.00 39.28 O ATOM 420 C5' DT B 22 26.246 21.517 20.952 1.00 26.60 C ATOM 421 C4' DT B 22 26.009 22.433 19.778 1.00 34.25 C ATOM 422 O4' DT B 22 26.135 21.692 18.536 1.00 41.73 O ATOM 423 C3' DT B 22 24.640 23.130 19.741 1.00 28.74 C ATOM 424 O3' DT B 22 24.863 24.491 19.359 1.00 50.01 O ATOM 425 C2' DT B 22 23.884 22.389 18.647 1.00 27.36 C ATOM 426 C1' DT B 22 25.002 21.941 17.705 1.00 20.23 C ATOM 427 N1 DT B 22 24.740 20.711 16.923 1.00 21.98 N ATOM 428 C2 DT B 22 24.981 20.720 15.555 1.00 26.48 C ATOM 429 O2 DT B 22 25.354 21.705 14.944 1.00 26.68 O ATOM 430 N3 DT B 22 24.772 19.517 14.927 1.00 25.15 N ATOM 431 C4 DT B 22 24.347 18.330 15.512 1.00 21.08 C ATOM 432 O4 DT B 22 24.227 17.322 14.825 1.00 21.48 O ATOM 433 C5 DT B 22 24.078 18.407 16.935 1.00 10.00 C ATOM 434 C7 DT B 22 23.575 17.193 17.652 1.00 14.42 C ATOM 435 C6 DT B 22 24.291 19.578 17.557 1.00 23.84 C ATOM 436 P DC B 23 23.730 25.602 19.591 1.00 44.35 P ATOM 437 OP1 DC B 23 24.470 26.882 19.728 1.00 41.61 O ATOM 438 OP2 DC B 23 22.766 25.199 20.655 1.00 31.27 O ATOM 439 O5' DC B 23 23.007 25.649 18.177 1.00 35.08 O ATOM 440 C5' DC B 23 23.731 26.088 17.040 1.00 38.49 C ATOM 441 C4' DC B 23 22.923 25.856 15.791 1.00 41.58 C ATOM 442 O4' DC B 23 22.881 24.445 15.463 1.00 45.24 O ATOM 443 C3' DC B 23 21.467 26.299 15.931 1.00 46.23 C ATOM 444 O3' DC B 23 21.024 26.871 14.701 1.00 40.93 O ATOM 445 C2' DC B 23 20.731 24.995 16.147 1.00 41.98 C ATOM 446 C1' DC B 23 21.531 24.107 15.218 1.00 35.60 C ATOM 447 N1 DC B 23 21.358 22.672 15.428 1.00 20.58 N ATOM 448 C2 DC B 23 21.520 21.804 14.323 1.00 20.95 C ATOM 449 O2 DC B 23 21.783 22.293 13.204 1.00 22.91 O ATOM 450 N3 DC B 23 21.368 20.466 14.505 1.00 14.61 N ATOM 451 C4 DC B 23 21.062 19.993 15.718 1.00 22.84 C ATOM 452 N4 DC B 23 20.971 18.671 15.863 1.00 22.80 N ATOM 453 C5 DC B 23 20.856 20.865 16.849 1.00 10.63 C ATOM 454 C6 DC B 23 21.028 22.176 16.659 1.00 15.15 C ATOM 455 P DA B 24 20.311 28.310 14.713 1.00 42.40 P ATOM 456 OP1 DA B 24 21.362 29.290 15.068 1.00 43.27 O ATOM 457 OP2 DA B 24 19.097 28.205 15.570 1.00 38.53 O ATOM 458 O5' DA B 24 19.923 28.514 13.180 1.00 28.76 O ATOM 459 C5' DA B 24 20.935 28.440 12.175 1.00 24.77 C ATOM 460 C4' DA B 24 20.430 27.696 10.955 1.00 35.95 C ATOM 461 O4' DA B 24 20.328 26.277 11.216 1.00 44.89 O ATOM 462 C3' DA B 24 19.070 28.122 10.409 1.00 31.70 C ATOM 463 O3' DA B 24 19.125 28.144 8.978 1.00 41.21 O ATOM 464 C2' DA B 24 18.128 27.036 10.917 1.00 44.47 C ATOM 465 C1' DA B 24 19.015 25.798 10.972 1.00 36.86 C ATOM 466 N9 DA B 24 18.699 24.846 12.045 1.00 35.14 N ATOM 467 C8 DA B 24 18.452 25.130 13.370 1.00 36.97 C ATOM 468 N7 DA B 24 18.245 24.060 14.112 1.00 30.24 N ATOM 469 C5 DA B 24 18.355 23.005 13.213 1.00 31.04 C ATOM 470 C6 DA B 24 18.246 21.606 13.371 1.00 30.66 C ATOM 471 N6 DA B 24 18.017 21.010 14.536 1.00 34.22 N ATOM 472 N1 DA B 24 18.392 20.837 12.276 1.00 25.05 N ATOM 473 C2 DA B 24 18.654 21.429 11.115 1.00 23.32 C ATOM 474 N3 DA B 24 18.792 22.726 10.838 1.00 26.28 N ATOM 475 C4 DA B 24 18.623 23.472 11.939 1.00 28.91 C ATOM 476 P DA B 25 17.805 28.504 8.135 1.00 55.04 P ATOM 477 OP1 DA B 25 18.240 29.108 6.842 1.00 43.26 O ATOM 478 OP2 DA B 25 16.871 29.232 9.016 1.00 46.67 O ATOM 479 O5' DA B 25 17.135 27.100 7.825 1.00 52.50 O ATOM 480 C5' DA B 25 17.725 26.210 6.900 1.00 39.03 C ATOM 481 C4' DA B 25 16.880 24.969 6.783 1.00 25.04 C ATOM 482 O4' DA B 25 16.849 24.262 8.053 1.00 46.00 O ATOM 483 C3' DA B 25 15.419 25.227 6.419 1.00 39.47 C ATOM 484 O3' DA B 25 14.990 24.151 5.587 1.00 35.47 O ATOM 485 C2' DA B 25 14.711 25.110 7.758 1.00 35.11 C ATOM 486 C1' DA B 25 15.498 23.965 8.357 1.00 36.52 C ATOM 487 N9 DA B 25 15.374 23.737 9.796 1.00 26.98 N ATOM 488 C8 DA B 25 15.204 24.635 10.817 1.00 29.70 C ATOM 489 N7 DA B 25 15.077 24.075 11.998 1.00 25.99 N ATOM 490 C5 DA B 25 15.185 22.717 11.735 1.00 15.94 C ATOM 491 C6 DA B 25 15.100 21.579 12.556 1.00 27.14 C ATOM 492 N6 DA B 25 14.884 21.628 13.871 1.00 30.29 N ATOM 493 N1 DA B 25 15.237 20.369 11.970 1.00 27.28 N ATOM 494 C2 DA B 25 15.442 20.315 10.656 1.00 26.19 C ATOM 495 N3 DA B 25 15.530 21.304 9.775 1.00 34.46 N ATOM 496 C4 DA B 25 15.384 22.496 10.386 1.00 27.56 C ATOM 497 P DA B 26 14.768 24.392 4.026 1.00 45.89 P ATOM 498 OP1 DA B 26 16.004 24.965 3.469 1.00 44.03 O ATOM 499 OP2 DA B 26 13.483 25.107 3.847 1.00 52.70 O ATOM 500 O5' DA B 26 14.600 22.917 3.463 1.00 46.84 O ATOM 501 C5' DA B 26 15.682 22.005 3.494 1.00 42.46 C ATOM 502 C4' DA B 26 15.172 20.612 3.763 1.00 43.01 C ATOM 503 O4' DA B 26 14.825 20.427 5.157 1.00 34.33 O ATOM 504 C3' DA B 26 13.923 20.266 2.972 1.00 35.36 C ATOM 505 O3' DA B 26 14.028 18.919 2.525 1.00 22.45 O ATOM 506 C2' DA B 26 12.797 20.462 3.980 1.00 33.01 C ATOM 507 C1' DA B 26 13.453 20.079 5.298 1.00 18.02 C ATOM 508 N9 DA B 26 12.946 20.792 6.480 1.00 27.96 N ATOM 509 C8 DA B 26 12.664 22.131 6.569 1.00 25.99 C ATOM 510 N7 DA B 26 12.328 22.520 7.770 1.00 25.00 N ATOM 511 C5 DA B 26 12.365 21.360 8.529 1.00 24.52 C ATOM 512 C6 DA B 26 12.136 21.111 9.909 1.00 31.52 C ATOM 513 N6 DA B 26 11.853 22.060 10.802 1.00 33.06 N ATOM 514 N1 DA B 26 12.234 19.839 10.341 1.00 19.88 N ATOM 515 C2 DA B 26 12.574 18.895 9.455 1.00 32.03 C ATOM 516 N3 DA B 26 12.845 19.009 8.151 1.00 19.78 N ATOM 517 C4 DA B 26 12.717 20.279 7.743 1.00 20.93 C ATOM 518 P DA B 27 12.836 18.283 1.692 1.00 42.36 P ATOM 519 OP1 DA B 27 13.421 17.233 0.836 1.00 49.17 O ATOM 520 OP2 DA B 27 12.059 19.387 1.072 1.00 56.62 O ATOM 521 O5' DA B 27 11.960 17.599 2.825 1.00 36.67 O ATOM 522 C5' DA B 27 12.535 16.572 3.628 1.00 43.66 C ATOM 523 C4' DA B 27 11.479 15.923 4.481 1.00 35.11 C ATOM 524 O4' DA B 27 11.145 16.776 5.594 1.00 43.99 O ATOM 525 C3' DA B 27 10.175 15.644 3.749 1.00 35.62 C ATOM 526 O3' DA B 27 9.671 14.380 4.210 1.00 38.46 O ATOM 527 C2' DA B 27 9.299 16.812 4.167 1.00 27.37 C ATOM 528 C1' DA B 27 9.753 17.041 5.594 1.00 27.46 C ATOM 529 N9 DA B 27 9.566 18.386 6.141 1.00 32.35 N ATOM 530 C8 DA B 27 9.667 19.595 5.498 1.00 25.52 C ATOM 531 N7 DA B 27 9.512 20.631 6.295 1.00 29.03 N ATOM 532 C5 DA B 27 9.277 20.063 7.544 1.00 25.98 C ATOM 533 C6 DA B 27 9.056 20.624 8.828 1.00 27.20 C ATOM 534 N6 DA B 27 9.038 21.930 9.077 1.00 40.07 N ATOM 535 N1 DA B 27 8.861 19.774 9.859 1.00 20.96 N ATOM 536 C2 DA B 27 8.893 18.461 9.614 1.00 32.22 C ATOM 537 N3 DA B 27 9.100 17.817 8.467 1.00 28.25 N ATOM 538 C4 DA B 27 9.288 18.682 7.459 1.00 28.97 C ATOM 539 P DA B 28 8.627 13.555 3.317 1.00 55.73 P ATOM 540 OP1 DA B 28 9.126 12.171 3.167 1.00 64.40 O ATOM 541 OP2 DA B 28 8.316 14.360 2.104 1.00 60.14 O ATOM 542 O5' DA B 28 7.362 13.541 4.276 1.00 49.00 O ATOM 543 C5' DA B 28 7.318 14.470 5.340 1.00 55.37 C ATOM 544 C4' DA B 28 6.191 14.165 6.292 1.00 48.50 C ATOM 545 O4' DA B 28 6.331 15.186 7.314 1.00 42.11 O ATOM 546 C3' DA B 28 4.802 14.342 5.672 1.00 51.91 C ATOM 547 O3' DA B 28 3.818 13.454 6.209 1.00 51.77 O ATOM 548 C2' DA B 28 4.428 15.759 6.038 1.00 57.87 C ATOM 549 C1' DA B 28 5.210 16.041 7.313 1.00 42.08 C ATOM 550 N9 DA B 28 5.656 17.436 7.287 1.00 29.82 N ATOM 551 C8 DA B 28 6.005 18.154 6.169 1.00 30.44 C ATOM 552 N7 DA B 28 6.083 19.445 6.379 1.00 35.79 N ATOM 553 C5 DA B 28 5.831 19.576 7.737 1.00 19.57 C ATOM 554 C6 DA B 28 5.737 20.695 8.558 1.00 22.35 C ATOM 555 N6 DA B 28 5.888 21.940 8.098 1.00 31.81 N ATOM 556 N1 DA B 28 5.475 20.498 9.875 1.00 23.11 N ATOM 557 C2 DA B 28 5.338 19.239 10.311 1.00 28.29 C ATOM 558 N3 DA B 28 5.408 18.093 9.621 1.00 28.06 N ATOM 559 C4 DA B 28 5.645 18.340 8.324 1.00 20.64 C ATOM 560 P DC B 29 2.289 13.542 5.681 1.00 53.70 P ATOM 561 OP1 DC B 29 1.729 12.174 5.714 1.00 44.64 O ATOM 562 OP2 DC B 29 2.220 14.330 4.426 1.00 33.54 O ATOM 563 O5' DC B 29 1.538 14.359 6.812 1.00 46.51 O ATOM 564 C5' DC B 29 1.527 13.889 8.154 1.00 46.49 C ATOM 565 C4' DC B 29 0.836 14.895 9.039 1.00 42.91 C ATOM 566 O4' DC B 29 1.604 16.131 9.038 1.00 40.88 O ATOM 567 C3' DC B 29 -0.567 15.265 8.547 1.00 43.71 C ATOM 568 O3' DC B 29 -1.450 15.450 9.655 1.00 49.12 O ATOM 569 C2' DC B 29 -0.351 16.598 7.849 1.00 42.73 C ATOM 570 C1' DC B 29 0.754 17.208 8.694 1.00 35.68 C ATOM 571 N1 DC B 29 1.553 18.247 8.015 1.00 26.05 N ATOM 572 C2 DC B 29 1.802 19.458 8.692 1.00 30.62 C ATOM 573 O2 DC B 29 1.510 19.553 9.892 1.00 34.86 O ATOM 574 N3 DC B 29 2.380 20.480 8.025 1.00 36.52 N ATOM 575 C4 DC B 29 2.757 20.317 6.752 1.00 38.78 C ATOM 576 N4 DC B 29 3.277 21.377 6.118 1.00 34.20 N ATOM 577 C5 DC B 29 2.605 19.063 6.071 1.00 32.01 C ATOM 578 C6 DC B 29 2.006 18.066 6.735 1.00 28.35 C TER 579 DC B 29 ATOM 580 N GLY C 139 5.585 15.424 12.100 1.00 58.90 N ATOM 581 CA GLY C 139 7.074 15.394 12.259 1.00 49.01 C ATOM 582 C GLY C 139 7.772 14.901 11.005 1.00 55.46 C ATOM 583 O GLY C 139 7.128 14.478 10.047 1.00 43.56 O ATOM 584 N ARG C 140 9.097 14.950 10.994 1.00 61.89 N ATOM 585 CA ARG C 140 9.818 14.483 9.826 1.00 52.87 C ATOM 586 C ARG C 140 10.198 13.019 9.957 1.00 45.70 C ATOM 587 O ARG C 140 10.644 12.564 11.012 1.00 42.16 O ATOM 588 CB ARG C 140 11.065 15.316 9.597 1.00 51.10 C ATOM 589 CG ARG C 140 11.867 14.869 8.399 1.00 58.78 C ATOM 590 CD ARG C 140 12.984 15.843 8.112 1.00 45.99 C ATOM 591 NE ARG C 140 13.908 15.268 7.156 1.00 39.31 N ATOM 592 CZ ARG C 140 14.922 15.916 6.607 1.00 36.33 C ATOM 593 NH1 ARG C 140 15.146 17.178 6.917 1.00 27.86 N ATOM 594 NH2 ARG C 140 15.708 15.287 5.746 1.00 35.99 N ATOM 595 N PRO C 141 9.998 12.248 8.883 1.00 39.48 N ATOM 596 CA PRO C 141 10.334 10.826 8.913 1.00 36.04 C ATOM 597 C PRO C 141 11.817 10.543 9.065 1.00 31.89 C ATOM 598 O PRO C 141 12.662 11.335 8.678 1.00 34.88 O ATOM 599 CB PRO C 141 9.769 10.304 7.590 1.00 52.60 C ATOM 600 CG PRO C 141 9.774 11.503 6.705 1.00 46.24 C ATOM 601 CD PRO C 141 9.300 12.592 7.635 1.00 48.13 C ATOM 602 N ARG C 142 12.122 9.399 9.656 1.00 31.77 N ATOM 603 CA ARG C 142 13.498 8.998 9.850 1.00 32.54 C ATOM 604 C ARG C 142 14.106 8.649 8.513 1.00 42.11 C ATOM 605 O ARG C 142 13.394 8.350 7.559 1.00 47.55 O ATOM 606 CB ARG C 142 13.547 7.814 10.793 1.00 27.36 C ATOM 607 CG ARG C 142 13.121 8.207 12.187 1.00 29.16 C ATOM 608 CD ARG C 142 13.494 7.131 13.189 1.00 22.29 C ATOM 609 NE ARG C 142 13.322 7.576 14.570 1.00 25.13 N ATOM 610 CZ ARG C 142 14.332 8.004 15.327 1.00 41.12 C ATOM 611 NH1 ARG C 142 15.561 8.041 14.818 1.00 52.92 N ATOM 612 NH2 ARG C 142 14.127 8.370 16.594 1.00 36.33 N ATOM 613 N ALA C 143 15.425 8.700 8.440 1.00 44.61 N ATOM 614 CA ALA C 143 16.111 8.387 7.205 1.00 48.21 C ATOM 615 C ALA C 143 16.120 6.888 6.964 1.00 50.00 C ATOM 616 O ALA C 143 15.992 6.432 5.822 1.00 46.57 O ATOM 617 CB ALA C 143 17.532 8.912 7.264 1.00 55.32 C ATOM 618 N ILE C 144 16.279 6.129 8.046 1.00 48.62 N ATOM 619 CA ILE C 144 16.319 4.673 7.969 1.00 44.39 C ATOM 620 C ILE C 144 15.335 4.012 8.940 1.00 50.68 C ATOM 621 O ILE C 144 15.207 4.418 10.100 1.00 48.99 O ATOM 622 CB ILE C 144 17.743 4.122 8.269 1.00 45.45 C ATOM 623 CG1 ILE C 144 18.112 4.355 9.741 1.00 32.00 C ATOM 624 CG2 ILE C 144 18.766 4.797 7.373 1.00 36.69 C ATOM 625 CD1 ILE C 144 18.753 5.706 10.038 1.00 32.81 C ATOM 626 N ASN C 145 14.634 2.989 8.465 1.00 50.50 N ATOM 627 CA ASN C 145 13.696 2.290 9.327 1.00 42.13 C ATOM 628 C ASN C 145 14.469 1.349 10.230 1.00 49.18 C ATOM 629 O ASN C 145 15.681 1.172 10.074 1.00 59.03 O ATOM 630 CB ASN C 145 12.672 1.513 8.509 1.00 40.92 C ATOM 631 CG ASN C 145 13.309 0.679 7.429 1.00 32.04 C ATOM 632 OD1 ASN C 145 14.120 -0.207 7.703 1.00 48.59 O ATOM 633 ND2 ASN C 145 12.944 0.963 6.180 1.00 42.09 N ATOM 634 N LYS C 146 13.762 0.743 11.175 1.00 46.72 N ATOM 635 CA LYS C 146 14.409 -0.147 12.122 1.00 49.37 C ATOM 636 C LYS C 146 15.096 -1.313 11.450 1.00 43.63 C ATOM 637 O LYS C 146 16.122 -1.804 11.941 1.00 47.94 O ATOM 638 CB LYS C 146 13.410 -0.623 13.181 1.00 54.75 C ATOM 639 N HIS C 147 14.543 -1.730 10.314 1.00 41.92 N ATOM 640 CA HIS C 147 15.109 -2.826 9.532 1.00 57.67 C ATOM 641 C HIS C 147 16.501 -2.391 9.052 1.00 57.66 C ATOM 642 O HIS C 147 17.519 -3.035 9.351 1.00 52.88 O ATOM 643 N GLU C 148 16.525 -1.273 8.331 1.00 55.57 N ATOM 644 CA GLU C 148 17.750 -0.705 7.786 1.00 45.92 C ATOM 645 C GLU C 148 18.779 -0.456 8.874 1.00 38.95 C ATOM 646 O GLU C 148 19.982 -0.557 8.650 1.00 47.33 O ATOM 647 CB GLU C 148 17.423 0.592 7.068 1.00 34.96 C ATOM 648 CG GLU C 148 16.383 0.399 5.975 1.00 30.30 C ATOM 649 CD GLU C 148 15.974 1.696 5.297 1.00 51.00 C ATOM 650 OE1 GLU C 148 15.569 2.642 6.013 1.00 58.43 O ATOM 651 OE2 GLU C 148 16.051 1.759 4.047 1.00 58.36 O ATOM 652 N GLN C 149 18.307 -0.133 10.060 1.00 32.90 N ATOM 653 CA GLN C 149 19.221 0.107 11.152 1.00 35.60 C ATOM 654 C GLN C 149 19.991 -1.147 11.547 1.00 39.97 C ATOM 655 O GLN C 149 21.189 -1.080 11.782 1.00 47.29 O ATOM 656 CB GLN C 149 18.460 0.640 12.356 1.00 36.36 C ATOM 657 CG GLN C 149 17.899 2.011 12.142 1.00 44.94 C ATOM 658 CD GLN C 149 17.127 2.501 13.345 1.00 60.68 C ATOM 659 OE1 GLN C 149 17.610 2.406 14.482 1.00 51.97 O ATOM 660 NE2 GLN C 149 15.923 3.039 13.105 1.00 55.96 N ATOM 661 N GLU C 150 19.304 -2.286 11.630 1.00 49.20 N ATOM 662 CA GLU C 150 19.958 -3.540 12.015 1.00 53.75 C ATOM 663 C GLU C 150 20.976 -3.914 10.964 1.00 50.13 C ATOM 664 O GLU C 150 22.082 -4.336 11.269 1.00 58.46 O ATOM 665 CB GLU C 150 18.946 -4.673 12.121 1.00 55.91 C ATOM 666 N GLN C 151 20.575 -3.766 9.713 1.00 42.44 N ATOM 667 CA GLN C 151 21.448 -4.072 8.604 1.00 41.56 C ATOM 668 C GLN C 151 22.655 -3.133 8.602 1.00 42.77 C ATOM 669 O GLN C 151 23.808 -3.577 8.676 1.00 36.89 O ATOM 670 CB GLN C 151 20.665 -3.962 7.293 1.00 35.12 C ATOM 671 CG GLN C 151 21.540 -3.635 6.112 1.00 26.53 C ATOM 672 CD GLN C 151 20.804 -3.699 4.774 1.00 49.77 C ATOM 673 OE1 GLN C 151 19.636 -3.283 4.650 1.00 50.01 O ATOM 674 NE2 GLN C 151 21.500 -4.210 3.751 1.00 25.86 N ATOM 675 N ILE C 152 22.398 -1.831 8.528 1.00 45.94 N ATOM 676 CA ILE C 152 23.500 -0.871 8.529 1.00 40.51 C ATOM 677 C ILE C 152 24.392 -1.136 9.731 1.00 33.65 C ATOM 678 O ILE C 152 25.612 -1.156 9.606 1.00 51.17 O ATOM 679 CB ILE C 152 22.989 0.601 8.546 1.00 31.17 C ATOM 680 CG1 ILE C 152 22.470 0.975 7.153 1.00 36.78 C ATOM 681 CG2 ILE C 152 24.099 1.530 8.987 1.00 24.21 C ATOM 682 CD1 ILE C 152 21.709 2.298 7.044 1.00 25.83 C ATOM 683 N SER C 153 23.786 -1.355 10.891 1.00 31.61 N ATOM 684 CA SER C 153 24.566 -1.632 12.092 1.00 30.01 C ATOM 685 C SER C 153 25.551 -2.765 11.808 1.00 38.06 C ATOM 686 O SER C 153 26.735 -2.707 12.197 1.00 37.73 O ATOM 687 CB SER C 153 23.648 -2.050 13.241 1.00 41.07 C ATOM 688 OG SER C 153 24.385 -2.259 14.428 1.00 59.88 O ATOM 689 N ARG C 154 25.044 -3.792 11.124 1.00 38.76 N ATOM 690 CA ARG C 154 25.845 -4.955 10.778 1.00 42.83 C ATOM 691 C ARG C 154 26.952 -4.550 9.826 1.00 46.62 C ATOM 692 O ARG C 154 28.135 -4.772 10.097 1.00 52.52 O ATOM 693 CB ARG C 154 24.967 -6.032 10.134 1.00 46.11 C ATOM 694 CG ARG C 154 25.050 -7.386 10.822 1.00 60.49 C ATOM 695 CD ARG C 154 23.999 -8.350 10.280 1.00 56.97 C ATOM 696 NE ARG C 154 22.630 -7.920 10.578 1.00 45.67 N ATOM 697 CZ ARG C 154 21.660 -7.871 9.670 1.00 50.19 C ATOM 698 NH1 ARG C 154 21.929 -8.224 8.417 1.00 42.70 N ATOM 699 NH2 ARG C 154 20.425 -7.481 10.007 1.00 46.05 N ATOM 700 N LEU C 155 26.565 -3.952 8.707 1.00 47.21 N ATOM 701 CA LEU C 155 27.537 -3.504 7.722 1.00 34.66 C ATOM 702 C LEU C 155 28.641 -2.707 8.400 1.00 33.44 C ATOM 703 O LEU C 155 29.819 -2.908 8.130 1.00 48.83 O ATOM 704 CB LEU C 155 26.845 -2.653 6.664 1.00 35.24 C ATOM 705 CG LEU C 155 25.845 -3.416 5.790 1.00 23.55 C ATOM 706 CD1 LEU C 155 25.039 -2.436 4.897 1.00 32.55 C ATOM 707 CD2 LEU C 155 26.636 -4.400 4.921 1.00 32.69 C ATOM 708 N LEU C 156 28.261 -1.804 9.294 1.00 34.85 N ATOM 709 CA LEU C 156 29.258 -0.995 9.986 1.00 42.11 C ATOM 710 C LEU C 156 30.234 -1.832 10.807 1.00 47.91 C ATOM 711 O LEU C 156 31.426 -1.537 10.837 1.00 51.37 O ATOM 712 CB LEU C 156 28.572 0.034 10.878 1.00 31.91 C ATOM 713 CG LEU C 156 28.116 1.265 10.112 1.00 26.79 C ATOM 714 CD1 LEU C 156 27.203 2.082 10.997 1.00 29.03 C ATOM 715 CD2 LEU C 156 29.329 2.092 9.651 1.00 31.30 C ATOM 716 N GLU C 157 29.727 -2.866 11.475 1.00 51.76 N ATOM 717 CA GLU C 157 30.574 -3.741 12.280 1.00 54.61 C ATOM 718 C GLU C 157 31.445 -4.585 11.353 1.00 56.25 C ATOM 719 O GLU C 157 32.550 -4.984 11.713 1.00 53.80 O ATOM 720 CB GLU C 157 29.723 -4.648 13.173 1.00 54.34 C ATOM 721 CG GLU C 157 28.889 -3.880 14.179 1.00 72.65 C ATOM 722 CD GLU C 157 27.992 -4.769 15.014 1.00 89.24 C ATOM 723 OE1 GLU C 157 28.522 -5.601 15.784 1.00 93.00 O ATOM 724 OE2 GLU C 157 26.754 -4.632 14.900 1.00 95.00 O ATOM 725 N LYS C 158 30.946 -4.861 10.153 1.00 56.63 N ATOM 726 CA LYS C 158 31.727 -5.629 9.201 1.00 48.96 C ATOM 727 C LYS C 158 32.797 -4.752 8.556 1.00 46.54 C ATOM 728 O LYS C 158 33.578 -5.230 7.734 1.00 58.69 O ATOM 729 CB LYS C 158 30.835 -6.212 8.115 1.00 61.07 C ATOM 730 N GLY C 159 32.820 -3.465 8.902 1.00 41.73 N ATOM 731 CA GLY C 159 33.837 -2.584 8.348 1.00 46.89 C ATOM 732 C GLY C 159 33.480 -1.679 7.182 1.00 52.61 C ATOM 733 O GLY C 159 34.368 -1.127 6.540 1.00 56.47 O ATOM 734 N HIS C 160 32.197 -1.517 6.887 1.00 57.82 N ATOM 735 CA HIS C 160 31.819 -0.637 5.789 1.00 52.23 C ATOM 736 C HIS C 160 31.905 0.849 6.153 1.00 48.85 C ATOM 737 O HIS C 160 31.343 1.294 7.152 1.00 45.34 O ATOM 738 CB HIS C 160 30.412 -0.961 5.303 1.00 53.19 C ATOM 739 CG HIS C 160 30.323 -2.249 4.552 1.00 60.60 C ATOM 740 ND1 HIS C 160 30.262 -3.476 5.180 1.00 59.00 N ATOM 741 CD2 HIS C 160 30.312 -2.504 3.221 1.00 52.62 C ATOM 742 CE1 HIS C 160 30.215 -4.430 4.268 1.00 66.23 C ATOM 743 NE2 HIS C 160 30.246 -3.868 3.072 1.00 63.18 N ATOM 744 N PRO C 161 32.608 1.634 5.324 1.00 45.53 N ATOM 745 CA PRO C 161 32.812 3.076 5.490 1.00 43.18 C ATOM 746 C PRO C 161 31.504 3.864 5.498 1.00 44.96 C ATOM 747 O PRO C 161 30.711 3.798 4.548 1.00 42.56 O ATOM 748 CB PRO C 161 33.684 3.429 4.296 1.00 45.68 C ATOM 749 CG PRO C 161 33.201 2.476 3.252 1.00 55.70 C ATOM 750 CD PRO C 161 33.116 1.190 4.014 1.00 40.13 C ATOM 751 N ARG C 162 31.290 4.618 6.571 1.00 37.46 N ATOM 752 CA ARG C 162 30.081 5.401 6.708 1.00 30.68 C ATOM 753 C ARG C 162 29.795 6.269 5.490 1.00 33.47 C ATOM 754 O ARG C 162 28.636 6.506 5.162 1.00 36.63 O ATOM 755 CB ARG C 162 30.161 6.272 7.952 1.00 32.70 C ATOM 756 CG ARG C 162 30.347 5.494 9.248 1.00 26.04 C ATOM 757 CD ARG C 162 30.308 6.477 10.416 1.00 30.55 C ATOM 758 NE ARG C 162 29.783 5.900 11.652 1.00 29.52 N ATOM 759 CZ ARG C 162 30.498 5.145 12.477 1.00 45.44 C ATOM 760 NH1 ARG C 162 29.955 4.658 13.581 1.00 57.61 N ATOM 761 NH2 ARG C 162 31.766 4.878 12.199 1.00 53.52 N ATOM 762 N GLN C 163 30.830 6.736 4.804 1.00 34.49 N ATOM 763 CA GLN C 163 30.589 7.554 3.628 1.00 37.13 C ATOM 764 C GLN C 163 29.904 6.714 2.562 1.00 46.67 C ATOM 765 O GLN C 163 28.944 7.155 1.918 1.00 42.92 O ATOM 766 CB GLN C 163 31.892 8.108 3.082 1.00 43.45 C ATOM 767 CG GLN C 163 32.567 9.098 3.994 1.00 62.33 C ATOM 768 CD GLN C 163 33.476 10.032 3.221 1.00 82.47 C ATOM 769 OE1 GLN C 163 33.024 10.736 2.313 1.00 81.53 O ATOM 770 NE2 GLN C 163 34.764 10.041 3.568 1.00 81.22 N ATOM 771 N GLN C 164 30.393 5.493 2.377 1.00 51.23 N ATOM 772 CA GLN C 164 29.793 4.613 1.391 1.00 53.40 C ATOM 773 C GLN C 164 28.352 4.310 1.745 1.00 45.36 C ATOM 774 O GLN C 164 27.462 4.407 0.893 1.00 47.34 O ATOM 775 CB GLN C 164 30.570 3.308 1.283 1.00 69.71 C ATOM 776 N LEU C 165 28.117 3.955 3.003 1.00 50.81 N ATOM 777 CA LEU C 165 26.765 3.634 3.435 1.00 49.96 C ATOM 778 C LEU C 165 25.854 4.827 3.284 1.00 50.35 C ATOM 779 O LEU C 165 24.690 4.674 2.909 1.00 50.05 O ATOM 780 CB LEU C 165 26.744 3.141 4.882 1.00 35.26 C ATOM 781 CG LEU C 165 27.451 1.801 5.107 1.00 34.18 C ATOM 782 CD1 LEU C 165 27.096 1.197 6.483 1.00 23.75 C ATOM 783 CD2 LEU C 165 27.048 0.855 3.984 1.00 29.44 C ATOM 784 N ALA C 166 26.382 6.019 3.564 1.00 48.42 N ATOM 785 CA ALA C 166 25.587 7.232 3.432 1.00 37.62 C ATOM 786 C ALA C 166 25.083 7.319 1.998 1.00 40.36 C ATOM 787 O ALA C 166 23.879 7.306 1.746 1.00 43.15 O ATOM 788 CB ALA C 166 26.430 8.464 3.764 1.00 26.56 C ATOM 789 N ILE C 167 26.030 7.387 1.068 1.00 38.91 N ATOM 790 CA ILE C 167 25.739 7.482 -0.356 1.00 39.73 C ATOM 791 C ILE C 167 24.717 6.468 -0.835 1.00 42.50 C ATOM 792 O ILE C 167 23.717 6.817 -1.464 1.00 43.94 O ATOM 793 CB ILE C 167 27.010 7.278 -1.165 1.00 44.98 C ATOM 794 CG1 ILE C 167 28.070 8.287 -0.716 1.00 51.95 C ATOM 795 CG2 ILE C 167 26.695 7.392 -2.635 1.00 37.64 C ATOM 796 CD1 ILE C 167 29.452 8.022 -1.276 1.00 55.34 C ATOM 797 N ILE C 168 24.978 5.205 -0.540 1.00 48.82 N ATOM 798 CA ILE C 168 24.087 4.133 -0.946 1.00 44.71 C ATOM 799 C ILE C 168 22.680 4.313 -0.371 1.00 39.60 C ATOM 800 O ILE C 168 21.693 4.289 -1.105 1.00 34.07 O ATOM 801 CB ILE C 168 24.665 2.774 -0.509 1.00 50.28 C ATOM 802 CG1 ILE C 168 26.059 2.611 -1.112 1.00 57.26 C ATOM 803 CG2 ILE C 168 23.759 1.635 -0.963 1.00 57.05 C ATOM 804 CD1 ILE C 168 26.868 1.486 -0.507 1.00 57.14 C ATOM 805 N PHE C 169 22.570 4.505 0.938 1.00 38.64 N ATOM 806 CA PHE C 169 21.238 4.674 1.509 1.00 37.76 C ATOM 807 C PHE C 169 20.648 6.033 1.248 1.00 45.94 C ATOM 808 O PHE C 169 19.500 6.280 1.590 1.00 43.58 O ATOM 809 CB PHE C 169 21.244 4.391 3.001 1.00 31.21 C ATOM 810 CG PHE C 169 21.372 2.945 3.316 1.00 45.15 C ATOM 811 CD1 PHE C 169 22.625 2.346 3.396 1.00 45.87 C ATOM 812 CD2 PHE C 169 20.232 2.158 3.480 1.00 52.72 C ATOM 813 CE1 PHE C 169 22.751 0.986 3.635 1.00 40.94 C ATOM 814 CE2 PHE C 169 20.339 0.793 3.719 1.00 45.32 C ATOM 815 CZ PHE C 169 21.607 0.204 3.798 1.00 41.56 C ATOM 816 N GLY C 170 21.440 6.901 0.617 1.00 53.41 N ATOM 817 CA GLY C 170 20.991 8.242 0.292 1.00 44.15 C ATOM 818 C GLY C 170 20.638 9.042 1.525 1.00 47.75 C ATOM 819 O GLY C 170 19.535 9.554 1.637 1.00 59.78 O ATOM 820 N ILE C 171 21.569 9.122 2.465 1.00 36.11 N ATOM 821 CA ILE C 171 21.358 9.877 3.696 1.00 34.02 C ATOM 822 C ILE C 171 22.684 10.503 4.069 1.00 43.59 C ATOM 823 O ILE C 171 23.691 10.295 3.397 1.00 49.63 O ATOM 824 CB ILE C 171 20.891 8.984 4.845 1.00 26.01 C ATOM 825 CG1 ILE C 171 21.959 7.937 5.152 1.00 35.58 C ATOM 826 CG2 ILE C 171 19.603 8.298 4.463 1.00 46.04 C ATOM 827 CD1 ILE C 171 21.709 7.174 6.432 1.00 24.11 C ATOM 828 N GLY C 172 22.701 11.256 5.152 1.00 41.04 N ATOM 829 CA GLY C 172 23.939 11.909 5.512 1.00 34.94 C ATOM 830 C GLY C 172 24.852 11.238 6.513 1.00 34.47 C ATOM 831 O GLY C 172 24.401 10.618 7.480 1.00 24.60 O ATOM 832 N VAL C 173 26.150 11.405 6.286 1.00 30.84 N ATOM 833 CA VAL C 173 27.149 10.840 7.166 1.00 21.33 C ATOM 834 C VAL C 173 26.895 11.253 8.618 1.00 24.12 C ATOM 835 O VAL C 173 27.007 10.430 9.526 1.00 30.89 O ATOM 836 CB VAL C 173 28.571 11.261 6.721 1.00 18.33 C ATOM 837 CG1 VAL C 173 29.586 10.837 7.757 1.00 22.20 C ATOM 838 CG2 VAL C 173 28.924 10.576 5.405 1.00 10.00 C ATOM 839 N SER C 174 26.525 12.513 8.845 1.00 26.93 N ATOM 840 CA SER C 174 26.271 12.942 10.213 1.00 25.80 C ATOM 841 C SER C 174 25.141 12.142 10.873 1.00 26.49 C ATOM 842 O SER C 174 25.182 11.868 12.073 1.00 33.28 O ATOM 843 CB SER C 174 25.984 14.456 10.279 1.00 37.13 C ATOM 844 OG SER C 174 24.835 14.844 9.566 1.00 36.32 O ATOM 845 N THR C 175 24.149 11.765 10.075 1.00 26.18 N ATOM 846 CA THR C 175 23.016 10.987 10.545 1.00 29.00 C ATOM 847 C THR C 175 23.504 9.621 11.019 1.00 36.54 C ATOM 848 O THR C 175 23.107 9.138 12.080 1.00 41.31 O ATOM 849 CB THR C 175 21.978 10.755 9.414 1.00 26.75 C ATOM 850 OG1 THR C 175 21.588 12.011 8.845 1.00 20.53 O ATOM 851 CG2 THR C 175 20.754 10.035 9.961 1.00 21.63 C ATOM 852 N LEU C 176 24.380 9.006 10.231 1.00 33.03 N ATOM 853 CA LEU C 176 24.910 7.701 10.605 1.00 33.72 C ATOM 854 C LEU C 176 25.660 7.807 11.928 1.00 34.67 C ATOM 855 O LEU C 176 25.421 7.010 12.847 1.00 40.95 O ATOM 856 CB LEU C 176 25.808 7.134 9.498 1.00 30.05 C ATOM 857 CG LEU C 176 25.035 6.691 8.251 1.00 30.15 C ATOM 858 CD1 LEU C 176 25.983 6.218 7.164 1.00 23.69 C ATOM 859 CD2 LEU C 176 24.059 5.578 8.618 1.00 26.04 C ATOM 860 N TYR C 177 26.554 8.784 12.042 1.00 30.56 N ATOM 861 CA TYR C 177 27.278 8.952 13.302 1.00 30.97 C ATOM 862 C TYR C 177 26.299 9.155 14.469 1.00 29.42 C ATOM 863 O TYR C 177 26.628 8.836 15.605 1.00 39.01 O ATOM 864 CB TYR C 177 28.251 10.135 13.230 1.00 26.97 C ATOM 865 CG TYR C 177 29.548 9.840 12.494 1.00 31.21 C ATOM 866 CD1 TYR C 177 30.553 9.051 13.070 1.00 24.95 C ATOM 867 CD2 TYR C 177 29.786 10.388 11.236 1.00 35.09 C ATOM 868 CE1 TYR C 177 31.771 8.837 12.404 1.00 24.42 C ATOM 869 CE2 TYR C 177 30.969 10.173 10.570 1.00 22.02 C ATOM 870 CZ TYR C 177 31.965 9.406 11.152 1.00 31.49 C ATOM 871 OH TYR C 177 33.144 9.235 10.466 1.00 35.52 O ATOM 872 N ARG C 178 25.100 9.669 14.196 1.00 26.47 N ATOM 873 CA ARG C 178 24.128 9.867 15.277 1.00 29.58 C ATOM 874 C ARG C 178 23.457 8.548 15.626 1.00 29.96 C ATOM 875 O ARG C 178 23.320 8.207 16.794 1.00 29.46 O ATOM 876 CB ARG C 178 23.048 10.891 14.907 1.00 29.76 C ATOM 877 CG ARG C 178 22.090 11.219 16.083 1.00 38.85 C ATOM 878 CD ARG C 178 20.826 11.937 15.618 1.00 26.32 C ATOM 879 NE ARG C 178 21.156 12.801 14.487 1.00 30.93 N ATOM 880 CZ ARG C 178 20.465 12.827 13.362 1.00 41.91 C ATOM 881 NH1 ARG C 178 20.834 13.622 12.378 1.00 47.03 N ATOM 882 NH2 ARG C 178 19.400 12.058 13.236 1.00 47.28 N ATOM 883 N TYR C 179 23.010 7.822 14.611 1.00 23.27 N ATOM 884 CA TYR C 179 22.399 6.526 14.851 1.00 24.98 C ATOM 885 C TYR C 179 23.439 5.532 15.403 1.00 34.45 C ATOM 886 O TYR C 179 23.140 4.738 16.289 1.00 43.15 O ATOM 887 CB TYR C 179 21.784 5.975 13.570 1.00 29.70 C ATOM 888 CG TYR C 179 20.417 6.509 13.235 1.00 31.73 C ATOM 889 CD1 TYR C 179 20.257 7.733 12.596 1.00 33.51 C ATOM 890 CD2 TYR C 179 19.279 5.773 13.534 1.00 38.10 C ATOM 891 CE1 TYR C 179 18.985 8.216 12.251 1.00 35.50 C ATOM 892 CE2 TYR C 179 18.004 6.233 13.199 1.00 32.20 C ATOM 893 CZ TYR C 179 17.861 7.456 12.550 1.00 35.66 C ATOM 894 OH TYR C 179 16.613 7.870 12.146 1.00 35.59 O ATOM 895 N PHE C 180 24.670 5.601 14.906 1.00 36.12 N ATOM 896 CA PHE C 180 25.709 4.686 15.374 1.00 32.73 C ATOM 897 C PHE C 180 27.015 5.380 15.683 1.00 37.81 C ATOM 898 O PHE C 180 27.869 5.511 14.824 1.00 29.18 O ATOM 899 CB PHE C 180 25.967 3.598 14.328 1.00 44.97 C ATOM 900 CG PHE C 180 24.735 3.152 13.613 1.00 45.76 C ATOM 901 CD1 PHE C 180 24.414 3.676 12.367 1.00 46.75 C ATOM 902 CD2 PHE C 180 23.868 2.244 14.201 1.00 37.22 C ATOM 903 CE1 PHE C 180 23.241 3.301 11.714 1.00 48.35 C ATOM 904 CE2 PHE C 180 22.689 1.861 13.558 1.00 31.11 C ATOM 905 CZ PHE C 180 22.374 2.387 12.316 1.00 41.43 C ATOM 906 N PRO C 181 27.175 5.859 16.920 1.00 42.67 N ATOM 907 CA PRO C 181 28.387 6.545 17.362 1.00 42.39 C ATOM 908 C PRO C 181 29.597 5.650 17.121 1.00 46.85 C ATOM 909 O PRO C 181 29.496 4.430 17.261 1.00 47.33 O ATOM 910 CB PRO C 181 28.134 6.740 18.844 1.00 46.91 C ATOM 911 CG PRO C 181 26.698 6.929 18.895 1.00 35.54 C ATOM 912 CD PRO C 181 26.161 5.880 17.984 1.00 44.96 C ATOM 913 N ALA C 182 30.734 6.241 16.762 1.00 45.01 N ATOM 914 CA ALA C 182 31.930 5.439 16.535 1.00 42.51 C ATOM 915 C ALA C 182 32.112 4.669 17.834 1.00 43.59 C ATOM 916 O ALA C 182 32.328 3.457 17.844 1.00 49.23 O ATOM 917 CB ALA C 182 33.131 6.335 16.272 1.00 47.59 C ATOM 918 N SER C 183 32.005 5.403 18.933 1.00 45.40 N ATOM 919 CA SER C 183 32.108 4.831 20.262 1.00 48.28 C ATOM 920 C SER C 183 30.909 3.906 20.528 1.00 53.93 C ATOM 921 O SER C 183 30.106 4.174 21.431 1.00 56.63 O ATOM 922 CB SER C 183 32.144 5.965 21.298 1.00 59.46 C ATOM 923 OG SER C 183 31.175 6.978 21.012 1.00 59.61 O ATOM 924 N SER C 184 30.774 2.846 19.726 1.00 55.24 N ATOM 925 CA SER C 184 29.679 1.872 19.877 1.00 59.32 C ATOM 926 C SER C 184 29.778 0.701 18.887 1.00 59.24 C ATOM 927 O SER C 184 28.833 -0.073 18.732 1.00 67.37 O ATOM 928 CB SER C 184 28.300 2.544 19.704 1.00 49.01 C ATOM 929 OG SER C 184 27.805 2.467 18.361 1.00 40.27 O ATOM 930 N ILE C 185 30.920 0.566 18.225 1.00 55.16 N ATOM 931 CA ILE C 185 31.089 -0.500 17.256 1.00 58.18 C ATOM 932 C ILE C 185 32.185 -1.481 17.665 1.00 66.40 C ATOM 933 O ILE C 185 31.884 -2.698 17.680 1.00 76.44 O ATOM 934 CB ILE C 185 31.420 0.086 15.876 1.00 61.81 C ATOM 935 CG1 ILE C 185 30.352 1.105 15.479 1.00 56.68 C ATOM 936 CG2 ILE C 185 31.485 -1.026 14.839 1.00 63.15 C ATOM 937 CD1 ILE C 185 28.944 0.535 15.441 1.00 57.74 C TER 938 ILE C 185 HETATM 939 C TRS B 204 24.675 25.298 10.999 1.00 63.46 C HETATM 940 C1 TRS B 204 24.913 25.228 9.474 1.00 65.11 C HETATM 941 C2 TRS B 204 25.780 24.724 11.642 1.00 73.37 C HETATM 942 C3 TRS B 204 23.325 24.614 11.254 1.00 64.39 C HETATM 943 N TRS B 204 24.578 26.710 11.397 1.00 74.97 N HETATM 944 O1 TRS B 204 24.798 23.964 8.967 1.00 74.52 O HETATM 945 O2 TRS B 204 25.872 24.857 13.020 1.00 81.76 O HETATM 946 O3 TRS B 204 22.894 24.561 12.579 1.00 59.48 O HETATM 947 C TRS C 203 16.981 11.309 0.633 1.00 68.58 C HETATM 948 C1 TRS C 203 18.378 11.755 0.198 1.00 67.43 C HETATM 949 C2 TRS C 203 16.778 10.480 1.742 1.00 54.81 C HETATM 950 C3 TRS C 203 15.954 11.435 -0.529 1.00 73.21 C HETATM 951 N TRS C 203 17.365 10.012 0.010 1.00 43.67 N HETATM 952 O1 TRS C 203 18.550 13.087 0.359 1.00 85.49 O HETATM 953 O2 TRS C 203 17.195 10.954 2.982 1.00 49.94 O HETATM 954 O3 TRS C 203 14.630 11.074 -0.263 1.00 82.30 O HETATM 955 O HOH A 201 20.684 22.423 6.348 1.00 40.54 O HETATM 956 O HOH A 202 30.505 23.443 18.529 1.00 23.62 O HETATM 957 O HOH A 208 7.443 22.783 23.815 1.00 38.38 O HETATM 958 O HOH A 212 26.762 14.679 6.703 1.00 30.66 O HETATM 959 O HOH B 205 26.370 13.050 14.940 1.00 23.39 O HETATM 960 O HOH B 207 23.550 14.690 15.010 1.00 31.00 O HETATM 961 O HOH C 206 19.546 9.022 18.374 1.00 65.52 O CONECT 323 336 CONECT 335 347 CONECT 336 323 337 338 339 CONECT 337 336 CONECT 338 336 CONECT 339 336 349 CONECT 340 341 342 352 CONECT 341 340 347 CONECT 342 340 343 344 CONECT 343 342 CONECT 344 342 345 CONECT 345 344 346 347 CONECT 346 345 CONECT 347 335 341 345 CONECT 348 352 353 CONECT 349 339 350 CONECT 350 349 351 353 CONECT 351 350 352 CONECT 352 340 348 351 CONECT 353 348 350 354 CONECT 354 353 355 CONECT 355 354 CONECT 939 940 941 942 943 CONECT 940 939 944 CONECT 941 939 945 CONECT 942 939 946 CONECT 943 939 CONECT 944 940 CONECT 945 941 CONECT 946 942 CONECT 947 948 949 950 951 CONECT 948 947 952 CONECT 949 947 953 CONECT 950 947 954 CONECT 951 947 CONECT 952 948 CONECT 953 949 CONECT 954 950 MASTER 376 0 3 3 0 0 2 6 958 3 38 8 END
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Entry Information
PDB ID
1ijw
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-INVERTASE HIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=3.8nM
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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