Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 13-JUL-01 1JKQ 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*TP*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*CP*TP*TP*AP*TP*AP*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, G9T 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 1JKQ 1 VERSN REVDAT 1 22-FEB-02 1JKQ 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. 2.86 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) : 2.86 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.30 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) (%) : 89.6 REMARK 3 NUMBER OF REFLECTIONS : 3502 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) : 0.256 REMARK 3 FREE R VALUE : 0.328 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.270 REMARK 3 FREE R VALUE TEST SET COUNT : 362 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) : 2.86 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.99 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.76 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 343 REMARK 3 BIN R VALUE (WORKING SET) : 0.3904 REMARK 3 BIN FREE R VALUE : 0.3948 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 43 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 : 354 REMARK 3 NUCLEIC ACID ATOMS : 576 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 44.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 17.36800 REMARK 3 B22 (A**2) : 3.27500 REMARK 3 B33 (A**2) : -20.64300 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) : 0.43 REMARK 3 ESD FROM SIGMAA (A) : 0.46 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) : 0.46 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.38 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.59 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.22 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.84 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) : 5.160 ; 4.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 7.510 ; 6.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 7.430 ; 6.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 10.310; 7.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.35 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 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JKQ 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 RCSB013884. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-SEP-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 : NSLS REMARK 200 BEAMLINE : X25 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.100 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 300 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3502 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.860 REMARK 200 RESOLUTION RANGE LOW (A) : 41.300 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.6 REMARK 200 DATA REDUNDANCY : 12.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.18800 REMARK 200
FOR THE DATA SET : 15.2600 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.86 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.99 REMARK 200 COMPLETENESS FOR SHELL (%) : 80.8 REMARK 200 DATA REDUNDANCY IN SHELL : 2.04 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.18800 REMARK 200
FOR SHELL : 3.000 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 (%): 53.36 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74 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, 20 MM HEPES (PH 7.5), 20 MM CACL2, 33 MM NACL, 5.0% V/V REMARK 280 PEG400, AND 1.56 MM NA CACODYLATE. RESERVOIR SOLUTION CONTAINS REMARK 280 100 MM HEPES (PH 7.5), 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 22.56200 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 22.56200 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 42.57900 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.32800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.57900 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.32800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 22.56200 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.57900 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.32800 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 22.56200 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.57900 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.32800 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 GLY C 139 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 GLU C 150 CB CG CD OE1 OE2 REMARK 470 ARG C 154 CG CD NE CZ NH1 NH2 REMARK 470 LYS C 158 CD CE NZ REMARK 470 GLN C 164 CB CD OE1 NE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O PRO C 181 OG SER C 184 2.18 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 O4' - C4' - C3' ANGL. DEV. = -2.9 DEGREES REMARK 500 DA B 16 C5' - C4' - C3' ANGL. DEV. = 12.4 DEGREES REMARK 500 DA B 16 C5' - C4' - C3' ANGL. DEV. = -14.7 DEGREES REMARK 500 DT B 17 C5' - C4' - O4' ANGL. DEV. = 10.2 DEGREES REMARK 500 DT B 17 C4' - C3' - O3' ANGL. DEV. = 15.4 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 ARG C 142 156.61 -40.65 REMARK 500 ASN C 145 159.87 -46.94 REMARK 500 ARG C 154 -85.72 -60.78 REMARK 500 LEU C 155 -52.16 -23.55 REMARK 500 HIS C 160 138.70 3.35 REMARK 500 ARG C 162 1.52 -49.59 REMARK 500 SER C 184 39.41 -169.74 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 A 15 0.06 SIDE_CHAIN REMARK 500 DA B 23 0.06 SIDE_CHAIN REMARK 500 DA B 28 0.08 SIDE_CHAIN REMARK 500 DC B 29 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL 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: 1JKR RELATED DB: PDB REMARK 900 FORM1 T11C MUTANT DBREF 1JKQ C 139 190 UNP P03013 HIN_SALTY 139 190 DBREF 1JKQ A 2 15 PDB 1JKQ 1JKQ 2 15 DBREF 1JKQ B 16 29 PDB 1JKQ 1JKQ 16 29 SEQRES 1 A 14 DT DG DT DT DT DT DT DT DA DT DA DA DG SEQRES 2 A 14 DA SEQRES 1 B 14 DA DT DC DT DT DA DT DA 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 HELIX 1 1 ASN C 145 GLY C 159 1 15 HELIX 2 2 GLN C 163 PHE C 169 1 7 HELIX 3 3 GLY C 172 PHE C 180 1 9 CRYST1 85.158 82.656 45.124 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 0.011743 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012098 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022161 0.00000 ATOM 1 O5' DT A 2 -0.759 33.267 5.772 1.00 92.92 O ATOM 2 C5' DT A 2 0.545 33.389 6.361 1.00 93.16 C ATOM 3 C4' DT A 2 0.697 32.574 7.626 1.00 90.35 C ATOM 4 O4' DT A 2 0.549 31.166 7.305 1.00 83.08 O ATOM 5 C3' DT A 2 2.059 32.710 8.319 1.00 89.58 C ATOM 6 O3' DT A 2 1.891 32.725 9.748 1.00 95.62 O ATOM 7 C2' DT A 2 2.800 31.469 7.865 1.00 83.76 C ATOM 8 C1' DT A 2 1.684 30.450 7.768 1.00 84.36 C ATOM 9 N1 DT A 2 1.961 29.355 6.820 1.00 87.71 N ATOM 10 C2 DT A 2 0.955 28.465 6.533 1.00 86.21 C ATOM 11 O2 DT A 2 -0.162 28.544 7.019 1.00 87.87 O ATOM 12 N3 DT A 2 1.308 27.469 5.654 1.00 85.52 N ATOM 13 C4 DT A 2 2.543 27.277 5.055 1.00 89.82 C ATOM 14 O4 DT A 2 2.713 26.335 4.289 1.00 92.89 O ATOM 15 C5 DT A 2 3.555 28.246 5.406 1.00 91.74 C ATOM 16 C7 DT A 2 4.928 28.110 4.824 1.00 89.46 C ATOM 17 C6 DT A 2 3.215 29.227 6.252 1.00 91.72 C ATOM 18 P DG A 3 3.079 32.211 10.717 1.00 99.69 P ATOM 19 OP1 DG A 3 3.114 33.111 11.901 1.00 99.55 O ATOM 20 OP2 DG A 3 4.329 31.981 9.941 1.00 97.02 O ATOM 21 O5' DG A 3 2.545 30.799 11.230 1.00 92.10 O ATOM 22 C5' DG A 3 1.380 30.714 12.054 1.00 76.59 C ATOM 23 C4' DG A 3 1.525 29.569 13.027 1.00 67.93 C ATOM 24 O4' DG A 3 1.443 28.321 12.296 1.00 57.86 O ATOM 25 C3' DG A 3 2.882 29.558 13.729 1.00 66.68 C ATOM 26 O3' DG A 3 2.763 29.059 15.072 1.00 66.38 O ATOM 27 C2' DG A 3 3.708 28.632 12.855 1.00 64.46 C ATOM 28 C1' DG A 3 2.676 27.623 12.362 1.00 54.09 C ATOM 29 N9 DG A 3 2.968 27.108 11.029 1.00 46.12 N ATOM 30 C8 DG A 3 3.447 27.822 9.958 1.00 47.03 C ATOM 31 N7 DG A 3 3.633 27.087 8.893 1.00 44.80 N ATOM 32 C5 DG A 3 3.244 25.816 9.283 1.00 42.64 C ATOM 33 C6 DG A 3 3.214 24.613 8.553 1.00 45.56 C ATOM 34 O6 DG A 3 3.523 24.428 7.366 1.00 52.52 O ATOM 35 N1 DG A 3 2.759 23.552 9.332 1.00 42.27 N ATOM 36 C2 DG A 3 2.369 23.647 10.644 1.00 48.85 C ATOM 37 N2 DG A 3 1.946 22.513 11.228 1.00 50.65 N ATOM 38 N3 DG A 3 2.387 24.772 11.336 1.00 51.30 N ATOM 39 C4 DG A 3 2.833 25.810 10.598 1.00 46.46 C ATOM 40 P DT A 4 4.093 28.774 15.934 1.00 70.41 P ATOM 41 OP1 DT A 4 3.979 29.392 17.278 1.00 67.86 O ATOM 42 OP2 DT A 4 5.266 29.085 15.071 1.00 63.20 O ATOM 43 O5' DT A 4 4.037 27.209 16.186 1.00 61.33 O ATOM 44 C5' DT A 4 2.889 26.633 16.773 1.00 51.34 C ATOM 45 C4' DT A 4 3.063 25.139 16.878 1.00 56.44 C ATOM 46 O4' DT A 4 3.178 24.581 15.545 1.00 56.37 O ATOM 47 C3' DT A 4 4.312 24.708 17.639 1.00 52.86 C ATOM 48 O3' DT A 4 3.963 23.657 18.542 1.00 62.74 O ATOM 49 C2' DT A 4 5.274 24.261 16.550 1.00 46.06 C ATOM 50 C1' DT A 4 4.360 23.818 15.413 1.00 47.16 C ATOM 51 N1 DT A 4 4.899 24.049 14.039 1.00 43.69 N ATOM 52 C2 DT A 4 4.845 23.004 13.140 1.00 42.14 C ATOM 53 O2 DT A 4 4.343 21.927 13.416 1.00 50.55 O ATOM 54 N3 DT A 4 5.402 23.267 11.903 1.00 31.56 N ATOM 55 C4 DT A 4 5.976 24.456 11.488 1.00 38.03 C ATOM 56 O4 DT A 4 6.422 24.570 10.344 1.00 31.01 O ATOM 57 C5 DT A 4 5.983 25.509 12.471 1.00 37.99 C ATOM 58 C7 DT A 4 6.573 26.828 12.090 1.00 43.29 C ATOM 59 C6 DT A 4 5.452 25.263 13.682 1.00 37.66 C ATOM 60 P DT A 5 5.040 23.126 19.618 1.00 70.30 P ATOM 61 OP1 DT A 5 4.331 22.629 20.828 1.00 61.30 O ATOM 62 OP2 DT A 5 6.123 24.147 19.753 1.00 66.72 O ATOM 63 O5' DT A 5 5.563 21.804 18.922 1.00 54.56 O ATOM 64 C5' DT A 5 4.613 20.820 18.590 1.00 58.79 C ATOM 65 C4' DT A 5 5.206 19.795 17.663 1.00 55.08 C ATOM 66 O4' DT A 5 5.503 20.374 16.372 1.00 54.68 O ATOM 67 C3' DT A 5 6.497 19.171 18.167 1.00 54.87 C ATOM 68 O3' DT A 5 6.351 17.754 18.146 1.00 64.49 O ATOM 69 C2' DT A 5 7.534 19.644 17.160 1.00 55.13 C ATOM 70 C1' DT A 5 6.697 19.810 15.912 1.00 42.23 C ATOM 71 N1 DT A 5 7.257 20.687 14.858 1.00 40.48 N ATOM 72 C2 DT A 5 7.424 20.122 13.617 1.00 36.59 C ATOM 73 O2 DT A 5 7.076 18.973 13.374 1.00 46.19 O ATOM 74 N3 DT A 5 8.002 20.932 12.678 1.00 27.01 N ATOM 75 C4 DT A 5 8.408 22.229 12.850 1.00 39.92 C ATOM 76 O4 DT A 5 8.925 22.844 11.904 1.00 41.65 O ATOM 77 C5 DT A 5 8.178 22.775 14.181 1.00 36.25 C ATOM 78 C7 DT A 5 8.583 24.187 14.467 1.00 41.80 C ATOM 79 C6 DT A 5 7.615 21.987 15.101 1.00 31.89 C ATOM 80 P DT A 6 7.287 16.841 19.079 1.00 69.19 P ATOM 81 OP1 DT A 6 6.404 15.916 19.833 1.00 72.68 O ATOM 82 OP2 DT A 6 8.228 17.729 19.812 1.00 64.82 O ATOM 83 O5' DT A 6 8.078 15.973 18.003 1.00 63.80 O ATOM 84 C5' DT A 6 7.357 15.331 16.956 1.00 63.53 C ATOM 85 C4' DT A 6 8.273 14.975 15.808 1.00 60.06 C ATOM 86 O4' DT A 6 8.635 16.129 15.005 1.00 61.19 O ATOM 87 C3' DT A 6 9.579 14.307 16.213 1.00 54.47 C ATOM 88 O3' DT A 6 9.776 13.146 15.412 1.00 58.07 O ATOM 89 C2' DT A 6 10.631 15.362 15.918 1.00 48.49 C ATOM 90 C1' DT A 6 10.024 16.106 14.741 1.00 40.77 C ATOM 91 N1 DT A 6 10.480 17.503 14.577 1.00 29.44 N ATOM 92 C2 DT A 6 10.760 17.960 13.313 1.00 35.89 C ATOM 93 O2 DT A 6 10.644 17.270 12.309 1.00 43.12 O ATOM 94 N3 DT A 6 11.177 19.268 13.259 1.00 33.04 N ATOM 95 C4 DT A 6 11.338 20.135 14.328 1.00 34.67 C ATOM 96 O4 DT A 6 11.699 21.295 14.147 1.00 39.97 O ATOM 97 C5 DT A 6 11.053 19.587 15.604 1.00 29.98 C ATOM 98 C7 DT A 6 11.272 20.444 16.805 1.00 33.53 C ATOM 99 C6 DT A 6 10.623 18.320 15.669 1.00 31.62 C ATOM 100 P DT A 7 10.789 12.007 15.917 1.00 59.17 P ATOM 101 OP1 DT A 7 10.158 10.680 15.643 1.00 38.51 O ATOM 102 OP2 DT A 7 11.188 12.379 17.309 1.00 46.78 O ATOM 103 O5' DT A 7 12.013 12.179 14.918 1.00 53.51 O ATOM 104 C5' DT A 7 11.791 11.922 13.548 1.00 53.96 C ATOM 105 C4' DT A 7 12.857 12.560 12.696 1.00 52.85 C ATOM 106 O4' DT A 7 12.776 14.001 12.766 1.00 54.48 O ATOM 107 C3' DT A 7 14.308 12.196 13.003 1.00 53.14 C ATOM 108 O3' DT A 7 14.847 11.585 11.845 1.00 50.71 O ATOM 109 C2' DT A 7 14.976 13.537 13.270 1.00 50.81 C ATOM 110 C1' DT A 7 14.065 14.511 12.553 1.00 41.91 C ATOM 111 N1 DT A 7 14.092 15.904 13.040 1.00 41.42 N ATOM 112 C2 DT A 7 14.303 16.880 12.102 1.00 43.25 C ATOM 113 O2 DT A 7 14.371 16.629 10.904 1.00 51.78 O ATOM 114 N3 DT A 7 14.412 18.168 12.604 1.00 40.12 N ATOM 115 C4 DT A 7 14.302 18.558 13.924 1.00 43.50 C ATOM 116 O4 DT A 7 14.441 19.752 14.229 1.00 37.73 O ATOM 117 C5 DT A 7 14.023 17.467 14.862 1.00 45.24 C ATOM 118 C7 DT A 7 13.840 17.779 16.320 1.00 38.12 C ATOM 119 C6 DT A 7 13.938 16.216 14.371 1.00 44.62 C ATOM 120 P DT A 8 16.426 11.435 11.679 1.00 50.65 P ATOM 121 OP1 DT A 8 16.613 10.213 10.835 1.00 45.02 O ATOM 122 OP2 DT A 8 17.065 11.519 13.045 1.00 37.02 O ATOM 123 O5' DT A 8 16.714 12.668 10.712 1.00 42.96 O ATOM 124 C5' DT A 8 15.775 12.889 9.645 1.00 49.59 C ATOM 125 C4' DT A 8 16.363 13.731 8.533 1.00 42.39 C ATOM 126 O4' DT A 8 16.413 15.114 8.938 1.00 33.50 O ATOM 127 C3' DT A 8 17.773 13.355 8.092 1.00 34.83 C ATOM 128 O3' DT A 8 17.894 13.532 6.677 1.00 27.40 O ATOM 129 C2' DT A 8 18.630 14.307 8.901 1.00 28.82 C ATOM 130 C1' DT A 8 17.744 15.541 9.055 1.00 28.13 C ATOM 131 N1 DT A 8 17.857 16.280 10.344 1.00 27.96 N ATOM 132 C2 DT A 8 18.081 17.654 10.278 1.00 31.49 C ATOM 133 O2 DT A 8 18.233 18.265 9.221 1.00 33.25 O ATOM 134 N3 DT A 8 18.123 18.285 11.495 1.00 27.04 N ATOM 135 C4 DT A 8 17.973 17.707 12.735 1.00 26.25 C ATOM 136 O4 DT A 8 17.996 18.409 13.741 1.00 31.74 O ATOM 137 C5 DT A 8 17.778 16.276 12.736 1.00 22.50 C ATOM 138 C7 DT A 8 17.631 15.577 14.053 1.00 26.55 C ATOM 139 C6 DT A 8 17.731 15.636 11.554 1.00 16.36 C ATOM 140 P DT A 9 19.331 13.426 5.997 1.00 40.68 P ATOM 141 OP1 DT A 9 19.286 13.445 4.519 1.00 28.34 O ATOM 142 OP2 DT A 9 20.030 12.320 6.709 1.00 40.64 O ATOM 143 O5' DT A 9 20.009 14.800 6.407 1.00 38.81 O ATOM 144 C5' DT A 9 19.796 15.969 5.632 1.00 38.25 C ATOM 145 C4' DT A 9 20.856 16.992 5.948 1.00 39.17 C ATOM 146 O4' DT A 9 20.704 17.485 7.308 1.00 38.28 O ATOM 147 C3' DT A 9 22.271 16.420 5.869 1.00 44.89 C ATOM 148 O3' DT A 9 23.100 17.376 5.260 1.00 55.63 O ATOM 149 C2' DT A 9 22.688 16.268 7.318 1.00 34.34 C ATOM 150 C1' DT A 9 21.973 17.445 7.944 1.00 27.94 C ATOM 151 N1 DT A 9 21.748 17.343 9.388 1.00 23.18 N ATOM 152 C2 DT A 9 21.743 18.518 10.087 1.00 33.23 C ATOM 153 O2 DT A 9 21.878 19.602 9.541 1.00 42.51 O ATOM 154 N3 DT A 9 21.563 18.389 11.441 1.00 26.39 N ATOM 155 C4 DT A 9 21.365 17.224 12.133 1.00 31.58 C ATOM 156 O4 DT A 9 21.189 17.261 13.352 1.00 41.20 O ATOM 157 C5 DT A 9 21.370 16.016 11.326 1.00 28.22 C ATOM 158 C7 DT A 9 21.164 14.695 11.994 1.00 28.04 C ATOM 159 C6 DT A 9 21.561 16.137 10.009 1.00 23.97 C ATOM 160 P DA A 10 24.209 16.899 4.215 1.00 72.15 P ATOM 161 OP1 DA A 10 23.514 16.613 2.919 1.00 53.61 O ATOM 162 OP2 DA A 10 24.987 15.814 4.882 1.00 69.30 O ATOM 163 O5' DA A 10 25.111 18.216 4.105 1.00 66.89 O ATOM 164 C5' DA A 10 24.495 19.487 3.902 1.00 57.28 C ATOM 165 C4' DA A 10 24.928 20.492 4.950 1.00 67.84 C ATOM 166 O4' DA A 10 24.521 20.139 6.301 1.00 69.45 O ATOM 167 C3' DA A 10 26.412 20.844 5.041 1.00 69.10 C ATOM 168 O3' DA A 10 26.497 22.272 5.040 1.00 78.81 O ATOM 169 C2' DA A 10 26.831 20.286 6.399 1.00 61.46 C ATOM 170 C1' DA A 10 25.566 20.456 7.217 1.00 49.53 C ATOM 171 N9 DA A 10 25.420 19.573 8.376 1.00 37.33 N ATOM 172 C8 DA A 10 25.344 18.208 8.347 1.00 41.45 C ATOM 173 N7 DA A 10 25.140 17.662 9.526 1.00 34.63 N ATOM 174 C5 DA A 10 25.102 18.738 10.388 1.00 26.62 C ATOM 175 C6 DA A 10 24.926 18.821 11.781 1.00 33.93 C ATOM 176 N6 DA A 10 24.715 17.767 12.567 1.00 35.18 N ATOM 177 N1 DA A 10 24.964 20.042 12.348 1.00 31.45 N ATOM 178 C2 DA A 10 25.145 21.097 11.548 1.00 39.56 C ATOM 179 N3 DA A 10 25.306 21.145 10.216 1.00 35.14 N ATOM 180 C4 DA A 10 25.282 19.921 9.696 1.00 26.95 C ATOM 181 P DT A 11 27.850 22.996 4.573 1.00 84.75 P ATOM 182 OP1 DT A 11 27.473 24.249 3.862 1.00 83.21 O ATOM 183 OP2 DT A 11 28.696 21.989 3.886 1.00 83.01 O ATOM 184 O5' DT A 11 28.499 23.404 5.963 1.00 70.40 O ATOM 185 C5' DT A 11 27.758 24.209 6.872 1.00 64.17 C ATOM 186 C4' DT A 11 28.439 24.230 8.219 1.00 68.90 C ATOM 187 O4' DT A 11 28.000 23.149 9.084 1.00 55.77 O ATOM 188 C3' DT A 11 29.966 24.122 8.136 1.00 64.12 C ATOM 189 O3' DT A 11 30.543 24.974 9.128 1.00 72.19 O ATOM 190 C2' DT A 11 30.212 22.678 8.524 1.00 57.54 C ATOM 191 C1' DT A 11 29.166 22.542 9.611 1.00 52.91 C ATOM 192 N1 DT A 11 28.845 21.184 10.090 1.00 38.64 N ATOM 193 C2 DT A 11 28.618 21.071 11.438 1.00 38.45 C ATOM 194 O2 DT A 11 28.614 22.033 12.183 1.00 50.88 O ATOM 195 N3 DT A 11 28.388 19.808 11.884 1.00 25.63 N ATOM 196 C4 DT A 11 28.331 18.672 11.127 1.00 24.20 C ATOM 197 O4 DT A 11 28.102 17.604 11.669 1.00 25.46 O ATOM 198 C5 DT A 11 28.548 18.853 9.705 1.00 24.07 C ATOM 199 C7 DT A 11 28.480 17.661 8.808 1.00 15.94 C ATOM 200 C6 DT A 11 28.797 20.088 9.259 1.00 28.14 C ATOM 201 P DA A 12 31.926 25.736 8.827 1.00 82.59 P ATOM 202 OP1 DA A 12 31.790 26.504 7.549 1.00 69.07 O ATOM 203 OP2 DA A 12 33.034 24.752 8.983 1.00 81.53 O ATOM 204 O5' DA A 12 32.043 26.748 10.048 1.00 76.48 O ATOM 205 C5' DA A 12 31.022 26.810 11.039 1.00 71.04 C ATOM 206 C4' DA A 12 31.461 26.085 12.290 1.00 69.88 C ATOM 207 O4' DA A 12 31.141 24.670 12.245 1.00 74.32 O ATOM 208 C3' DA A 12 32.956 26.173 12.599 1.00 72.23 C ATOM 209 O3' DA A 12 33.128 26.389 13.996 1.00 74.99 O ATOM 210 C2' DA A 12 33.460 24.781 12.261 1.00 67.89 C ATOM 211 C1' DA A 12 32.273 23.934 12.688 1.00 69.03 C ATOM 212 N9 DA A 12 32.220 22.601 12.088 1.00 55.21 N ATOM 213 C8 DA A 12 32.392 22.295 10.760 1.00 57.04 C ATOM 214 N7 DA A 12 32.283 21.016 10.491 1.00 54.67 N ATOM 215 C5 DA A 12 32.023 20.439 11.727 1.00 48.39 C ATOM 216 C6 DA A 12 31.802 19.109 12.107 1.00 44.41 C ATOM 217 N6 DA A 12 31.806 18.106 11.229 1.00 39.30 N ATOM 218 N1 DA A 12 31.579 18.847 13.420 1.00 33.52 N ATOM 219 C2 DA A 12 31.582 19.875 14.277 1.00 39.22 C ATOM 220 N3 DA A 12 31.777 21.187 14.032 1.00 42.35 N ATOM 221 C4 DA A 12 31.991 21.401 12.723 1.00 46.35 C ATOM 222 P DA A 13 34.427 27.160 14.526 1.00 75.13 P ATOM 223 OP1 DA A 13 33.948 28.402 15.176 1.00 76.24 O ATOM 224 OP2 DA A 13 35.420 27.237 13.414 1.00 77.06 O ATOM 225 O5' DA A 13 34.960 26.201 15.679 1.00 78.96 O ATOM 226 C5' DA A 13 34.063 25.730 16.682 1.00 71.74 C ATOM 227 C4' DA A 13 34.488 24.367 17.173 1.00 70.18 C ATOM 228 O4' DA A 13 34.205 23.314 16.201 1.00 71.92 O ATOM 229 C3' DA A 13 35.981 24.259 17.490 1.00 73.11 C ATOM 230 O3' DA A 13 36.141 23.587 18.736 1.00 76.14 O ATOM 231 C2' DA A 13 36.521 23.383 16.368 1.00 67.46 C ATOM 232 C1' DA A 13 35.340 22.454 16.137 1.00 59.70 C ATOM 233 N9 DA A 13 35.320 21.717 14.865 1.00 46.81 N ATOM 234 C8 DA A 13 35.579 22.193 13.602 1.00 50.22 C ATOM 235 N7 DA A 13 35.488 21.279 12.659 1.00 37.82 N ATOM 236 C5 DA A 13 35.145 20.129 13.346 1.00 25.03 C ATOM 237 C6 DA A 13 34.892 18.831 12.908 1.00 24.18 C ATOM 238 N6 DA A 13 34.922 18.481 11.630 1.00 16.61 N ATOM 239 N1 DA A 13 34.592 17.894 13.835 1.00 21.91 N ATOM 240 C2 DA A 13 34.533 18.273 15.119 1.00 30.51 C ATOM 241 N3 DA A 13 34.734 19.488 15.660 1.00 27.93 N ATOM 242 C4 DA A 13 35.042 20.378 14.704 1.00 34.66 C ATOM 243 P DG A 14 37.491 23.787 19.568 1.00 82.99 P ATOM 244 OP1 DG A 14 37.151 24.525 20.813 1.00 86.31 O ATOM 245 OP2 DG A 14 38.493 24.344 18.617 1.00 82.08 O ATOM 246 O5' DG A 14 37.903 22.309 19.987 1.00 83.82 O ATOM 247 C5' DG A 14 37.035 21.545 20.815 1.00 82.79 C ATOM 248 C4' DG A 14 37.268 20.069 20.612 1.00 71.02 C ATOM 249 O4' DG A 14 36.976 19.702 19.241 1.00 74.84 O ATOM 250 C3' DG A 14 38.696 19.605 20.885 1.00 68.21 C ATOM 251 O3' DG A 14 38.636 18.367 21.593 1.00 76.26 O ATOM 252 C2' DG A 14 39.268 19.398 19.492 1.00 65.86 C ATOM 253 C1' DG A 14 38.048 18.920 18.733 1.00 64.31 C ATOM 254 N9 DG A 14 38.074 19.047 17.271 1.00 48.82 N ATOM 255 C8 DG A 14 38.260 20.188 16.531 1.00 42.83 C ATOM 256 N7 DG A 14 38.252 19.965 15.241 1.00 41.26 N ATOM 257 C5 DG A 14 38.060 18.594 15.123 1.00 34.45 C ATOM 258 C6 DG A 14 38.020 17.760 13.961 1.00 38.45 C ATOM 259 O6 DG A 14 38.194 18.078 12.771 1.00 40.06 O ATOM 260 N1 DG A 14 37.774 16.432 14.293 1.00 33.30 N ATOM 261 C2 DG A 14 37.606 15.965 15.579 1.00 40.49 C ATOM 262 N2 DG A 14 37.320 14.661 15.707 1.00 43.33 N ATOM 263 N3 DG A 14 37.695 16.721 16.663 1.00 34.73 N ATOM 264 C4 DG A 14 37.919 18.015 16.361 1.00 36.44 C ATOM 265 P DA A 15 38.373 18.378 23.183 1.00 87.75 P ATOM 266 OP1 DA A 15 38.594 17.018 23.771 1.00 80.54 O ATOM 267 OP2 DA A 15 37.070 19.057 23.386 1.00 84.70 O ATOM 268 O5' DA A 15 39.505 19.347 23.731 1.00 75.16 O ATOM 269 C5' DA A 15 40.879 19.063 23.501 1.00 75.82 C ATOM 270 C4' DA A 15 41.735 19.957 24.366 1.00 76.46 C ATOM 271 O4' DA A 15 41.464 19.671 25.766 1.00 74.27 O ATOM 272 C3' DA A 15 43.239 19.763 24.179 1.00 77.03 C ATOM 273 O3' DA A 15 43.932 20.979 24.474 1.00 88.23 O ATOM 274 C2' DA A 15 43.596 18.841 25.323 1.00 75.15 C ATOM 275 C1' DA A 15 42.677 19.353 26.421 1.00 61.18 C ATOM 276 N9 DA A 15 42.421 18.330 27.431 1.00 48.51 N ATOM 277 C8 DA A 15 41.894 17.082 27.235 1.00 45.37 C ATOM 278 N7 DA A 15 41.946 16.318 28.298 1.00 43.12 N ATOM 279 C5 DA A 15 42.505 17.132 29.267 1.00 37.17 C ATOM 280 C6 DA A 15 42.817 16.907 30.614 1.00 39.34 C ATOM 281 N6 DA A 15 42.622 15.736 31.221 1.00 43.62 N ATOM 282 N1 DA A 15 43.342 17.932 31.325 1.00 37.37 N ATOM 283 C2 DA A 15 43.529 19.102 30.699 1.00 46.42 C ATOM 284 N3 DA A 15 43.273 19.435 29.422 1.00 46.35 N ATOM 285 C4 DA A 15 42.761 18.389 28.757 1.00 40.87 C TER 286 DA A 15 ATOM 287 O5' DA B 16 43.505 17.806 2.300 1.00 91.62 O ATOM 288 C5' DA B 16 42.681 16.771 2.838 1.00 69.37 C ATOM 289 C4' DA B 16 43.420 15.456 2.900 1.00 62.90 C ATOM 290 O4' DA B 16 44.574 15.694 3.723 1.00 55.75 O ATOM 291 C3'A DA B 16 42.922 14.122 3.448 0.50 61.74 C ATOM 292 C3'B DA B 16 42.402 14.633 3.706 0.50 61.92 C ATOM 293 O3'A DA B 16 43.700 13.041 2.876 0.50 56.21 O ATOM 294 O3'B DA B 16 41.546 13.659 2.990 0.50 58.13 O ATOM 295 C2' DA B 16 43.165 14.206 4.945 1.00 60.76 C ATOM 296 C1' DA B 16 44.438 15.061 4.984 1.00 50.22 C ATOM 297 N9 DA B 16 44.258 16.141 5.949 1.00 37.98 N ATOM 298 C8 DA B 16 44.089 17.476 5.667 1.00 35.13 C ATOM 299 N7 DA B 16 43.890 18.216 6.730 1.00 31.01 N ATOM 300 C5 DA B 16 43.942 17.309 7.777 1.00 23.45 C ATOM 301 C6 DA B 16 43.804 17.469 9.140 1.00 21.58 C ATOM 302 N6 DA B 16 43.569 18.641 9.707 1.00 29.06 N ATOM 303 N1 DA B 16 43.913 16.377 9.917 1.00 27.26 N ATOM 304 C2 DA B 16 44.147 15.194 9.327 1.00 32.41 C ATOM 305 N3 DA B 16 44.292 14.916 8.043 1.00 27.57 N ATOM 306 C4 DA B 16 44.178 16.032 7.313 1.00 26.51 C ATOM 307 P A DT B 17 43.149 11.528 2.954 0.50 60.72 P ATOM 308 P B DT B 17 39.952 13.902 2.925 0.50 57.48 P ATOM 309 OP1A DT B 17 44.283 10.579 2.753 0.50 56.77 O ATOM 310 OP1B DT B 17 39.450 13.277 1.677 0.50 59.36 O ATOM 311 OP2A DT B 17 41.944 11.441 2.076 0.50 50.76 O ATOM 312 OP2B DT B 17 39.726 15.350 3.161 0.50 49.72 O ATOM 313 O5'A DT B 17 42.644 11.382 4.454 0.50 45.83 O ATOM 314 O5'B DT B 17 39.372 13.098 4.176 0.50 48.62 O ATOM 315 C5'A DT B 17 41.286 11.100 4.699 0.50 49.90 C ATOM 316 C5'B DT B 17 39.915 13.296 5.475 0.50 43.01 C ATOM 317 C4'A DT B 17 40.958 11.226 6.194 0.50 56.32 C ATOM 318 C4'B DT B 17 40.505 11.997 6.004 0.50 53.02 C ATOM 319 O4' DT B 17 41.530 12.305 6.972 1.00 51.46 O ATOM 320 C3' DT B 17 39.508 11.087 6.714 1.00 60.10 C ATOM 321 O3' DT B 17 39.565 9.668 6.849 1.00 59.14 O ATOM 322 C2' DT B 17 39.505 11.742 8.087 1.00 51.47 C ATOM 323 C1' DT B 17 40.942 12.243 8.281 1.00 39.97 C ATOM 324 N1 DT B 17 40.920 13.604 8.824 1.00 30.26 N ATOM 325 C2 DT B 17 40.945 13.780 10.190 1.00 32.19 C ATOM 326 O2 DT B 17 40.995 12.867 10.987 1.00 42.02 O ATOM 327 N3 DT B 17 40.912 15.077 10.596 1.00 30.27 N ATOM 328 C4 DT B 17 40.865 16.196 9.800 1.00 34.78 C ATOM 329 O4 DT B 17 40.859 17.305 10.312 1.00 36.96 O ATOM 330 C5 DT B 17 40.839 15.943 8.380 1.00 32.14 C ATOM 331 C7 DT B 17 40.785 17.104 7.445 1.00 31.86 C ATOM 332 C6 DT B 17 40.867 14.674 7.968 1.00 24.57 C ATOM 333 P DC B 18 38.227 8.882 7.237 1.00 68.85 P ATOM 334 OP1 DC B 18 38.503 7.405 7.124 1.00 50.85 O ATOM 335 OP2 DC B 18 37.116 9.521 6.435 1.00 64.18 O ATOM 336 O5' DC B 18 38.022 9.229 8.781 1.00 46.35 O ATOM 337 C5' DC B 18 38.743 8.478 9.734 1.00 50.43 C ATOM 338 C4' DC B 18 38.323 8.863 11.126 1.00 48.59 C ATOM 339 O4' DC B 18 38.551 10.291 11.288 1.00 47.50 O ATOM 340 C3' DC B 18 36.842 8.633 11.407 1.00 52.64 C ATOM 341 O3' DC B 18 36.697 8.010 12.694 1.00 49.33 O ATOM 342 C2' DC B 18 36.254 10.041 11.371 1.00 50.63 C ATOM 343 C1' DC B 18 37.420 10.872 11.886 1.00 41.93 C ATOM 344 N1 DC B 18 37.446 12.312 11.593 1.00 35.06 N ATOM 345 C2 DC B 18 37.413 13.204 12.660 1.00 41.62 C ATOM 346 O2 DC B 18 37.313 12.747 13.798 1.00 54.57 O ATOM 347 N3 DC B 18 37.492 14.541 12.430 1.00 33.73 N ATOM 348 C4 DC B 18 37.602 14.985 11.178 1.00 39.59 C ATOM 349 N4 DC B 18 37.729 16.296 10.984 1.00 39.13 N ATOM 350 C5 DC B 18 37.604 14.098 10.062 1.00 40.51 C ATOM 351 C6 DC B 18 37.525 12.774 10.316 1.00 39.76 C ATOM 352 P DT B 19 35.289 7.316 13.090 1.00 62.37 P ATOM 353 OP1 DT B 19 35.567 5.919 13.541 1.00 64.67 O ATOM 354 OP2 DT B 19 34.336 7.540 11.947 1.00 44.74 O ATOM 355 O5' DT B 19 34.844 8.146 14.376 1.00 37.34 O ATOM 356 C5' DT B 19 35.058 9.550 14.417 1.00 38.51 C ATOM 357 C4' DT B 19 34.665 10.106 15.765 1.00 40.33 C ATOM 358 O4' DT B 19 34.972 11.518 15.725 1.00 41.88 O ATOM 359 C3' DT B 19 33.168 10.005 16.061 1.00 47.09 C ATOM 360 O3' DT B 19 32.873 9.708 17.432 1.00 52.11 O ATOM 361 C2' DT B 19 32.604 11.359 15.663 1.00 44.86 C ATOM 362 C1' DT B 19 33.788 12.310 15.731 1.00 39.62 C ATOM 363 N1 DT B 19 33.874 13.227 14.579 1.00 22.81 N ATOM 364 C2 DT B 19 33.888 14.587 14.829 1.00 32.45 C ATOM 365 O2 DT B 19 33.774 15.065 15.955 1.00 38.75 O ATOM 366 N3 DT B 19 34.024 15.376 13.711 1.00 26.72 N ATOM 367 C4 DT B 19 34.109 14.948 12.414 1.00 26.70 C ATOM 368 O4 DT B 19 34.235 15.760 11.514 1.00 35.58 O ATOM 369 C5 DT B 19 34.049 13.522 12.224 1.00 21.11 C ATOM 370 C7 DT B 19 34.099 12.991 10.828 1.00 21.33 C ATOM 371 C6 DT B 19 33.949 12.738 13.301 1.00 16.57 C ATOM 372 P DT B 20 31.331 9.550 17.874 1.00 48.56 P ATOM 373 OP1 DT B 20 31.181 8.639 19.051 1.00 37.70 O ATOM 374 OP2 DT B 20 30.630 9.229 16.604 1.00 43.17 O ATOM 375 O5' DT B 20 30.949 11.033 18.305 1.00 41.79 O ATOM 376 C5' DT B 20 31.825 11.790 19.127 1.00 53.27 C ATOM 377 C4' DT B 20 31.301 13.197 19.319 1.00 54.69 C ATOM 378 O4' DT B 20 31.679 14.032 18.194 1.00 53.78 O ATOM 379 C3' DT B 20 29.782 13.311 19.460 1.00 56.55 C ATOM 380 O3' DT B 20 29.417 14.119 20.582 1.00 74.27 O ATOM 381 C2' DT B 20 29.357 13.986 18.169 1.00 50.39 C ATOM 382 C1' DT B 20 30.574 14.811 17.799 1.00 41.90 C ATOM 383 N1 DT B 20 30.700 15.072 16.353 1.00 38.41 N ATOM 384 C2 DT B 20 31.066 16.327 15.950 1.00 44.72 C ATOM 385 O2 DT B 20 31.306 17.225 16.732 1.00 55.20 O ATOM 386 N3 DT B 20 31.149 16.498 14.591 1.00 43.31 N ATOM 387 C4 DT B 20 30.922 15.542 13.621 1.00 46.12 C ATOM 388 O4 DT B 20 31.088 15.811 12.426 1.00 47.00 O ATOM 389 C5 DT B 20 30.517 14.256 14.119 1.00 43.95 C ATOM 390 C7 DT B 20 30.187 13.175 13.136 1.00 43.44 C ATOM 391 C6 DT B 20 30.442 14.086 15.444 1.00 37.60 C ATOM 392 P DA B 21 27.975 13.909 21.289 1.00 80.11 P ATOM 393 OP1 DA B 21 28.180 13.448 22.690 1.00 80.40 O ATOM 394 OP2 DA B 21 27.112 13.108 20.386 1.00 80.01 O ATOM 395 O5' DA B 21 27.407 15.397 21.359 1.00 74.41 O ATOM 396 C5' DA B 21 28.134 16.408 22.053 1.00 65.56 C ATOM 397 C4' DA B 21 27.843 17.775 21.477 1.00 58.41 C ATOM 398 O4' DA B 21 28.201 17.788 20.077 1.00 54.22 O ATOM 399 C3' DA B 21 26.393 18.255 21.553 1.00 63.39 C ATOM 400 O3' DA B 21 26.352 19.616 22.017 1.00 71.01 O ATOM 401 C2' DA B 21 25.891 18.128 20.122 1.00 56.33 C ATOM 402 C1' DA B 21 27.147 18.326 19.297 1.00 45.32 C ATOM 403 N9 DA B 21 27.147 17.619 18.013 1.00 36.15 N ATOM 404 C8 DA B 21 26.894 16.278 17.812 1.00 32.12 C ATOM 405 N7 DA B 21 26.995 15.907 16.552 1.00 36.37 N ATOM 406 C5 DA B 21 27.341 17.082 15.881 1.00 26.93 C ATOM 407 C6 DA B 21 27.602 17.356 14.516 1.00 20.60 C ATOM 408 N6 DA B 21 27.595 16.424 13.577 1.00 26.25 N ATOM 409 N1 DA B 21 27.881 18.628 14.157 1.00 18.40 N ATOM 410 C2 DA B 21 27.910 19.552 15.117 1.00 28.59 C ATOM 411 N3 DA B 21 27.693 19.416 16.447 1.00 32.90 N ATOM 412 C4 DA B 21 27.415 18.144 16.763 1.00 25.24 C ATOM 413 P DT B 22 24.933 20.359 22.222 1.00 75.31 P ATOM 414 OP1 DT B 22 25.055 21.251 23.400 1.00 68.86 O ATOM 415 OP2 DT B 22 23.866 19.324 22.205 1.00 74.17 O ATOM 416 O5' DT B 22 24.819 21.271 20.914 1.00 57.68 O ATOM 417 C5' DT B 22 25.920 22.083 20.517 1.00 56.28 C ATOM 418 C4' DT B 22 25.603 22.818 19.236 1.00 66.30 C ATOM 419 O4' DT B 22 25.747 21.964 18.067 1.00 63.72 O ATOM 420 C3' DT B 22 24.192 23.400 19.171 1.00 69.26 C ATOM 421 O3' DT B 22 24.212 24.698 18.544 1.00 78.39 O ATOM 422 C2' DT B 22 23.472 22.404 18.282 1.00 62.50 C ATOM 423 C1' DT B 22 24.561 22.022 17.292 1.00 50.57 C ATOM 424 N1 DT B 22 24.364 20.701 16.663 1.00 40.89 N ATOM 425 C2 DT B 22 24.592 20.545 15.290 1.00 40.16 C ATOM 426 O2 DT B 22 24.961 21.451 14.548 1.00 36.37 O ATOM 427 N3 DT B 22 24.372 19.270 14.815 1.00 34.28 N ATOM 428 C4 DT B 22 23.967 18.172 15.551 1.00 35.88 C ATOM 429 O4 DT B 22 23.820 17.083 14.994 1.00 39.78 O ATOM 430 C5 DT B 22 23.748 18.413 16.970 1.00 34.32 C ATOM 431 C7 DT B 22 23.303 17.277 17.834 1.00 30.83 C ATOM 432 C6 DT B 22 23.956 19.644 17.444 1.00 29.85 C ATOM 433 P DA B 23 23.455 25.944 19.241 1.00 81.06 P ATOM 434 OP1 DA B 23 24.192 26.287 20.484 1.00 62.88 O ATOM 435 OP2 DA B 23 21.985 25.666 19.303 1.00 73.64 O ATOM 436 O5' DA B 23 23.662 27.118 18.193 1.00 77.29 O ATOM 437 C5' DA B 23 24.540 26.956 17.088 1.00 79.70 C ATOM 438 C4' DA B 23 23.750 26.771 15.812 1.00 79.25 C ATOM 439 O4' DA B 23 23.445 25.379 15.553 1.00 75.83 O ATOM 440 C3' DA B 23 22.420 27.522 15.711 1.00 81.68 C ATOM 441 O3' DA B 23 22.319 28.080 14.397 1.00 85.27 O ATOM 442 C2' DA B 23 21.387 26.417 15.878 1.00 73.16 C ATOM 443 C1' DA B 23 22.081 25.269 15.162 1.00 67.67 C ATOM 444 N9 DA B 23 21.643 23.915 15.501 1.00 57.70 N ATOM 445 C8 DA B 23 21.221 23.436 16.723 1.00 56.83 C ATOM 446 N7 DA B 23 21.033 22.138 16.742 1.00 52.27 N ATOM 447 C5 DA B 23 21.316 21.743 15.438 1.00 46.05 C ATOM 448 C6 DA B 23 21.325 20.485 14.819 1.00 46.46 C ATOM 449 N6 DA B 23 21.043 19.345 15.467 1.00 41.59 N ATOM 450 N1 DA B 23 21.644 20.434 13.501 1.00 43.74 N ATOM 451 C2 DA B 23 21.922 21.583 12.866 1.00 40.66 C ATOM 452 N3 DA B 23 21.950 22.826 13.347 1.00 41.85 N ATOM 453 C4 DA B 23 21.647 22.833 14.655 1.00 44.11 C ATOM 454 P DA B 24 21.231 29.220 14.091 1.00 87.39 P ATOM 455 OP1 DA B 24 21.955 30.501 13.864 1.00 84.92 O ATOM 456 OP2 DA B 24 20.157 29.149 15.128 1.00 80.41 O ATOM 457 O5' DA B 24 20.650 28.768 12.678 1.00 82.70 O ATOM 458 C5' DA B 24 21.518 28.626 11.561 1.00 76.40 C ATOM 459 C4' DA B 24 20.840 27.850 10.457 1.00 73.88 C ATOM 460 O4' DA B 24 20.645 26.470 10.848 1.00 74.78 O ATOM 461 C3' DA B 24 19.477 28.366 10.016 1.00 67.82 C ATOM 462 O3' DA B 24 19.441 28.345 8.587 1.00 71.80 O ATOM 463 C2' DA B 24 18.497 27.383 10.644 1.00 61.83 C ATOM 464 C1' DA B 24 19.286 26.079 10.726 1.00 62.76 C ATOM 465 N9 DA B 24 18.980 25.220 11.882 1.00 61.43 N ATOM 466 C8 DA B 24 18.748 25.636 13.173 1.00 64.49 C ATOM 467 N7 DA B 24 18.520 24.656 14.019 1.00 61.67 N ATOM 468 C5 DA B 24 18.604 23.515 13.236 1.00 62.64 C ATOM 469 C6 DA B 24 18.454 22.146 13.545 1.00 62.53 C ATOM 470 N6 DA B 24 18.172 21.692 14.767 1.00 62.07 N ATOM 471 N1 DA B 24 18.603 21.254 12.543 1.00 58.00 N ATOM 472 C2 DA B 24 18.880 21.717 11.318 1.00 61.91 C ATOM 473 N3 DA B 24 19.040 22.980 10.901 1.00 62.79 N ATOM 474 C4 DA B 24 18.885 23.843 11.918 1.00 60.91 C ATOM 475 P DA B 25 18.088 28.745 7.819 1.00 74.47 P ATOM 476 OP1 DA B 25 18.430 29.319 6.484 1.00 68.94 O ATOM 477 OP2 DA B 25 17.260 29.526 8.775 1.00 70.50 O ATOM 478 O5' DA B 25 17.395 27.338 7.544 1.00 69.86 O ATOM 479 C5' DA B 25 17.966 26.427 6.604 1.00 60.86 C ATOM 480 C4' DA B 25 17.132 25.173 6.526 1.00 55.18 C ATOM 481 O4' DA B 25 17.154 24.509 7.815 1.00 56.06 O ATOM 482 C3' DA B 25 15.657 25.432 6.210 1.00 57.05 C ATOM 483 O3' DA B 25 15.186 24.421 5.333 1.00 58.59 O ATOM 484 C2' DA B 25 14.971 25.286 7.552 1.00 54.81 C ATOM 485 C1' DA B 25 15.822 24.201 8.185 1.00 59.34 C ATOM 486 N9 DA B 25 15.739 24.113 9.644 1.00 48.67 N ATOM 487 C8 DA B 25 15.758 25.117 10.579 1.00 46.64 C ATOM 488 N7 DA B 25 15.605 24.693 11.811 1.00 42.87 N ATOM 489 C5 DA B 25 15.496 23.319 11.680 1.00 33.88 C ATOM 490 C6 DA B 25 15.305 22.302 12.610 1.00 30.42 C ATOM 491 N6 DA B 25 15.194 22.510 13.916 1.00 30.21 N ATOM 492 N1 DA B 25 15.226 21.039 12.149 1.00 31.61 N ATOM 493 C2 DA B 25 15.328 20.832 10.836 1.00 32.30 C ATOM 494 N3 DA B 25 15.505 21.707 9.856 1.00 29.35 N ATOM 495 C4 DA B 25 15.584 22.947 10.352 1.00 39.98 C ATOM 496 P DA B 26 14.837 24.809 3.816 1.00 72.89 P ATOM 497 OP1 DA B 26 16.039 25.472 3.236 1.00 62.23 O ATOM 498 OP2 DA B 26 13.524 25.536 3.853 1.00 66.81 O ATOM 499 O5' DA B 26 14.637 23.409 3.077 1.00 62.90 O ATOM 500 C5' DA B 26 15.549 22.346 3.282 1.00 55.31 C ATOM 501 C4' DA B 26 14.876 21.210 4.018 1.00 47.77 C ATOM 502 O4' DA B 26 14.604 21.516 5.412 1.00 52.34 O ATOM 503 C3' DA B 26 13.547 20.722 3.446 1.00 44.53 C ATOM 504 O3' DA B 26 13.635 19.322 3.347 1.00 45.54 O ATOM 505 C2' DA B 26 12.534 21.033 4.541 1.00 41.99 C ATOM 506 C1' DA B 26 13.387 20.861 5.771 1.00 37.42 C ATOM 507 N9 DA B 26 12.921 21.431 7.042 1.00 33.87 N ATOM 508 C8 DA B 26 12.777 22.754 7.341 1.00 37.51 C ATOM 509 N7 DA B 26 12.467 22.985 8.597 1.00 33.99 N ATOM 510 C5 DA B 26 12.363 21.727 9.152 1.00 22.67 C ATOM 511 C6 DA B 26 12.063 21.298 10.459 1.00 25.97 C ATOM 512 N6 DA B 26 11.789 22.120 11.464 1.00 23.57 N ATOM 513 N1 DA B 26 12.057 19.975 10.699 1.00 29.37 N ATOM 514 C2 DA B 26 12.330 19.148 9.679 1.00 34.67 C ATOM 515 N3 DA B 26 12.617 19.435 8.402 1.00 31.47 N ATOM 516 C4 DA B 26 12.618 20.756 8.203 1.00 25.36 C ATOM 517 P DA B 27 12.919 18.582 2.140 1.00 54.01 P ATOM 518 OP1 DA B 27 13.912 17.714 1.450 1.00 48.93 O ATOM 519 OP2 DA B 27 12.203 19.646 1.382 1.00 54.12 O ATOM 520 O5' DA B 27 11.868 17.649 2.875 1.00 54.57 O ATOM 521 C5' DA B 27 12.307 16.709 3.842 1.00 56.56 C ATOM 522 C4' DA B 27 11.155 16.309 4.730 1.00 55.61 C ATOM 523 O4' DA B 27 10.890 17.290 5.763 1.00 52.94 O ATOM 524 C3' DA B 27 9.849 16.132 3.972 1.00 53.50 C ATOM 525 O3' DA B 27 9.207 14.977 4.511 1.00 60.13 O ATOM 526 C2' DA B 27 9.111 17.429 4.270 1.00 46.85 C ATOM 527 C1' DA B 27 9.540 17.701 5.702 1.00 41.48 C ATOM 528 N9 DA B 27 9.483 19.087 6.168 1.00 38.59 N ATOM 529 C8 DA B 27 9.678 20.231 5.431 1.00 43.49 C ATOM 530 N7 DA B 27 9.638 21.340 6.147 1.00 39.12 N ATOM 531 C5 DA B 27 9.385 20.894 7.439 1.00 36.26 C ATOM 532 C6 DA B 27 9.245 21.573 8.657 1.00 31.42 C ATOM 533 N6 DA B 27 9.390 22.883 8.776 1.00 39.82 N ATOM 534 N1 DA B 27 8.967 20.854 9.759 1.00 25.07 N ATOM 535 C2 DA B 27 8.868 19.531 9.641 1.00 29.68 C ATOM 536 N3 DA B 27 9.001 18.764 8.554 1.00 34.63 N ATOM 537 C4 DA B 27 9.262 19.514 7.467 1.00 36.29 C ATOM 538 P DA B 28 8.257 14.084 3.579 1.00 77.49 P ATOM 539 OP1 DA B 28 8.671 12.655 3.719 1.00 70.31 O ATOM 540 OP2 DA B 28 8.238 14.721 2.235 1.00 67.95 O ATOM 541 O5' DA B 28 6.841 14.307 4.272 1.00 69.55 O ATOM 542 C5' DA B 28 6.689 15.386 5.183 1.00 66.21 C ATOM 543 C4' DA B 28 5.836 14.972 6.352 1.00 63.41 C ATOM 544 O4' DA B 28 6.225 15.785 7.487 1.00 64.00 O ATOM 545 C3' DA B 28 4.349 15.203 6.111 1.00 62.98 C ATOM 546 O3' DA B 28 3.563 14.067 6.472 1.00 66.06 O ATOM 547 C2' DA B 28 4.013 16.436 6.934 1.00 63.08 C ATOM 548 C1' DA B 28 5.183 16.646 7.907 1.00 55.52 C ATOM 549 N9 DA B 28 5.681 18.025 7.817 1.00 44.55 N ATOM 550 C8 DA B 28 6.184 18.612 6.688 1.00 44.24 C ATOM 551 N7 DA B 28 6.380 19.900 6.807 1.00 41.82 N ATOM 552 C5 DA B 28 6.021 20.173 8.114 1.00 34.42 C ATOM 553 C6 DA B 28 5.980 21.369 8.842 1.00 39.75 C ATOM 554 N6 DA B 28 6.261 22.571 8.313 1.00 36.90 N ATOM 555 N1 DA B 28 5.621 21.297 10.141 1.00 40.14 N ATOM 556 C2 DA B 28 5.303 20.100 10.645 1.00 37.32 C ATOM 557 N3 DA B 28 5.277 18.913 10.049 1.00 32.77 N ATOM 558 C4 DA B 28 5.648 19.020 8.767 1.00 35.54 C ATOM 559 P DC B 29 2.121 13.841 5.776 1.00 69.45 P ATOM 560 OP1 DC B 29 1.797 12.405 6.011 1.00 59.04 O ATOM 561 OP2 DC B 29 2.106 14.386 4.376 1.00 56.77 O ATOM 562 O5' DC B 29 1.148 14.747 6.665 1.00 63.61 O ATOM 563 C5' DC B 29 1.053 14.540 8.070 1.00 53.30 C ATOM 564 C4' DC B 29 0.269 15.656 8.722 1.00 59.00 C ATOM 565 O4' DC B 29 1.073 16.852 8.883 1.00 52.09 O ATOM 566 C3' DC B 29 -0.979 16.088 7.956 1.00 66.30 C ATOM 567 O3' DC B 29 -2.015 16.489 8.892 1.00 86.37 O ATOM 568 C2' DC B 29 -0.501 17.339 7.244 1.00 63.42 C ATOM 569 C1' DC B 29 0.386 17.945 8.316 1.00 58.06 C ATOM 570 N1 DC B 29 1.372 18.915 7.823 1.00 58.00 N ATOM 571 C2 DC B 29 1.750 19.975 8.655 1.00 58.72 C ATOM 572 O2 DC B 29 1.350 19.991 9.832 1.00 58.32 O ATOM 573 N3 DC B 29 2.551 20.947 8.161 1.00 57.99 N ATOM 574 C4 DC B 29 2.988 20.872 6.903 1.00 58.57 C ATOM 575 N4 DC B 29 3.700 21.895 6.428 1.00 62.74 N ATOM 576 C5 DC B 29 2.692 19.758 6.066 1.00 54.84 C ATOM 577 C6 DC B 29 1.884 18.814 6.560 1.00 57.64 C TER 578 DC B 29 ATOM 579 N ARG C 140 8.815 15.002 11.041 1.00 71.13 N ATOM 580 CA ARG C 140 9.508 14.547 9.842 1.00 54.55 C ATOM 581 C ARG C 140 9.896 13.083 9.967 1.00 45.01 C ATOM 582 O ARG C 140 10.383 12.643 10.991 1.00 47.38 O ATOM 583 CB ARG C 140 10.742 15.400 9.626 1.00 54.23 C ATOM 584 CG ARG C 140 11.563 15.002 8.441 1.00 62.35 C ATOM 585 CD ARG C 140 12.684 15.999 8.230 1.00 59.67 C ATOM 586 NE ARG C 140 13.677 15.496 7.298 1.00 52.99 N ATOM 587 CZ ARG C 140 14.611 16.247 6.739 1.00 62.35 C ATOM 588 NH1 ARG C 140 14.672 17.541 7.021 1.00 59.78 N ATOM 589 NH2 ARG C 140 15.487 15.701 5.902 1.00 71.25 N ATOM 590 N PRO C 141 9.695 12.308 8.912 1.00 42.89 N ATOM 591 CA PRO C 141 10.029 10.881 8.941 1.00 49.55 C ATOM 592 C PRO C 141 11.521 10.564 9.139 1.00 51.79 C ATOM 593 O PRO C 141 12.356 11.042 8.368 1.00 45.69 O ATOM 594 CB PRO C 141 9.542 10.401 7.582 1.00 51.72 C ATOM 595 CG PRO C 141 9.837 11.617 6.700 1.00 50.87 C ATOM 596 CD PRO C 141 9.300 12.735 7.558 1.00 45.60 C ATOM 597 N ARG C 142 11.839 9.750 10.151 1.00 47.94 N ATOM 598 CA ARG C 142 13.213 9.353 10.411 1.00 49.29 C ATOM 599 C ARG C 142 13.875 9.082 9.076 1.00 56.42 C ATOM 600 O ARG C 142 13.178 8.797 8.093 1.00 57.21 O ATOM 601 CB ARG C 142 13.262 8.089 11.273 1.00 36.95 C ATOM 602 CG ARG C 142 12.991 8.383 12.725 1.00 38.31 C ATOM 603 CD ARG C 142 13.337 7.212 13.602 1.00 42.52 C ATOM 604 NE ARG C 142 13.417 7.617 15.005 1.00 44.06 N ATOM 605 CZ ARG C 142 14.329 8.461 15.476 1.00 48.17 C ATOM 606 NH1 ARG C 142 15.225 8.985 14.647 1.00 62.36 N ATOM 607 NH2 ARG C 142 14.363 8.764 16.769 1.00 49.68 N ATOM 608 N ALA C 143 15.206 9.176 9.035 1.00 55.92 N ATOM 609 CA ALA C 143 15.943 8.958 7.796 1.00 54.58 C ATOM 610 C ALA C 143 15.922 7.507 7.299 1.00 56.83 C ATOM 611 O ALA C 143 15.976 7.264 6.089 1.00 53.92 O ATOM 612 CB ALA C 143 17.352 9.428 7.965 1.00 62.47 C ATOM 613 N ILE C 144 15.837 6.545 8.219 1.00 55.21 N ATOM 614 CA ILE C 144 15.786 5.129 7.823 1.00 55.11 C ATOM 615 C ILE C 144 14.994 4.238 8.798 1.00 56.62 C ATOM 616 O ILE C 144 15.297 4.156 9.994 1.00 52.09 O ATOM 617 CB ILE C 144 17.213 4.520 7.636 1.00 46.26 C ATOM 618 CG1 ILE C 144 17.996 4.548 8.951 1.00 43.65 C ATOM 619 CG2 ILE C 144 17.951 5.271 6.576 1.00 47.67 C ATOM 620 CD1 ILE C 144 18.217 5.926 9.528 1.00 47.21 C ATOM 621 N ASN C 145 13.983 3.560 8.264 1.00 56.89 N ATOM 622 CA ASN C 145 13.128 2.672 9.053 1.00 53.75 C ATOM 623 C ASN C 145 13.946 1.752 9.947 1.00 54.20 C ATOM 624 O ASN C 145 15.122 1.509 9.695 1.00 54.69 O ATOM 625 CB ASN C 145 12.302 1.820 8.119 1.00 58.50 C ATOM 626 CG ASN C 145 13.167 0.968 7.241 1.00 62.49 C ATOM 627 OD1 ASN C 145 13.911 0.113 7.728 1.00 61.16 O ATOM 628 ND2 ASN C 145 13.101 1.207 5.937 1.00 71.79 N ATOM 629 N LYS C 146 13.306 1.215 10.979 1.00 59.25 N ATOM 630 CA LYS C 146 13.998 0.337 11.904 1.00 59.71 C ATOM 631 C LYS C 146 14.769 -0.733 11.179 1.00 60.04 C ATOM 632 O LYS C 146 15.990 -0.795 11.315 1.00 70.22 O ATOM 633 CB LYS C 146 13.025 -0.294 12.901 1.00 64.79 C ATOM 634 N HIS C 147 14.083 -1.554 10.392 1.00 52.74 N ATOM 635 CA HIS C 147 14.761 -2.625 9.668 1.00 56.27 C ATOM 636 C HIS C 147 16.134 -2.183 9.146 1.00 56.27 C ATOM 637 O HIS C 147 17.166 -2.764 9.526 1.00 56.64 O ATOM 638 CB HIS C 147 13.893 -3.119 8.507 1.00 64.93 C ATOM 639 CG HIS C 147 14.606 -4.046 7.566 1.00 72.67 C ATOM 640 ND1 HIS C 147 15.810 -3.725 6.972 1.00 72.93 N ATOM 641 CD2 HIS C 147 14.259 -5.263 7.080 1.00 75.48 C ATOM 642 CE1 HIS C 147 16.173 -4.702 6.159 1.00 74.87 C ATOM 643 NE2 HIS C 147 15.249 -5.646 6.205 1.00 80.48 N ATOM 644 N GLU C 148 16.140 -1.160 8.285 1.00 53.98 N ATOM 645 CA GLU C 148 17.377 -0.627 7.714 1.00 52.33 C ATOM 646 C GLU C 148 18.463 -0.460 8.778 1.00 50.63 C ATOM 647 O GLU C 148 19.642 -0.683 8.507 1.00 52.85 O ATOM 648 CB GLU C 148 17.128 0.716 7.054 1.00 56.77 C ATOM 649 CG GLU C 148 16.205 0.696 5.848 1.00 60.56 C ATOM 650 CD GLU C 148 15.908 2.111 5.369 1.00 65.32 C ATOM 651 OE1 GLU C 148 15.035 2.780 5.977 1.00 59.62 O ATOM 652 OE2 GLU C 148 16.569 2.562 4.404 1.00 62.59 O ATOM 653 N GLN C 149 18.079 -0.056 9.983 1.00 45.89 N ATOM 654 CA GLN C 149 19.072 0.070 11.034 1.00 51.34 C ATOM 655 C GLN C 149 19.673 -1.306 11.206 1.00 52.44 C ATOM 656 O GLN C 149 20.879 -1.489 11.065 1.00 54.22 O ATOM 657 CB GLN C 149 18.445 0.478 12.349 1.00 50.06 C ATOM 658 CG GLN C 149 17.965 1.876 12.358 1.00 63.75 C ATOM 659 CD GLN C 149 17.472 2.281 13.719 1.00 73.24 C ATOM 660 OE1 GLN C 149 18.147 2.042 14.725 1.00 76.10 O ATOM 661 NE2 GLN C 149 16.294 2.909 13.766 1.00 77.01 N ATOM 662 N GLU C 150 18.824 -2.281 11.506 1.00 55.06 N ATOM 663 CA GLU C 150 19.322 -3.636 11.696 1.00 63.32 C ATOM 664 C GLU C 150 20.280 -3.978 10.561 1.00 60.81 C ATOM 665 O GLU C 150 21.340 -4.572 10.774 1.00 64.27 O ATOM 666 N GLN C 151 19.915 -3.575 9.355 1.00 53.41 N ATOM 667 CA GLN C 151 20.752 -3.843 8.204 1.00 53.59 C ATOM 668 C GLN C 151 22.109 -3.099 8.265 1.00 54.93 C ATOM 669 O GLN C 151 23.186 -3.712 8.183 1.00 54.19 O ATOM 670 CB GLN C 151 19.993 -3.436 6.953 1.00 56.27 C ATOM 671 CG GLN C 151 20.564 -3.996 5.686 1.00 64.64 C ATOM 672 CD GLN C 151 19.841 -3.460 4.478 1.00 73.39 C ATOM 673 OE1 GLN C 151 18.608 -3.380 4.465 1.00 68.71 O ATOM 674 NE2 GLN C 151 20.601 -3.094 3.447 1.00 76.91 N ATOM 675 N ILE C 152 22.055 -1.778 8.415 1.00 46.71 N ATOM 676 CA ILE C 152 23.277 -0.998 8.460 1.00 45.39 C ATOM 677 C ILE C 152 24.086 -1.312 9.683 1.00 48.13 C ATOM 678 O ILE C 152 25.311 -1.397 9.611 1.00 57.99 O ATOM 679 CB ILE C 152 23.010 0.522 8.447 1.00 44.09 C ATOM 680 CG1 ILE C 152 22.198 0.899 7.207 1.00 49.78 C ATOM 681 CG2 ILE C 152 24.314 1.276 8.377 1.00 30.43 C ATOM 682 CD1 ILE C 152 21.769 2.343 7.183 1.00 53.42 C ATOM 683 N SER C 153 23.423 -1.487 10.816 1.00 49.76 N ATOM 684 CA SER C 153 24.167 -1.774 12.032 1.00 50.84 C ATOM 685 C SER C 153 25.140 -2.873 11.702 1.00 53.76 C ATOM 686 O SER C 153 26.304 -2.836 12.129 1.00 56.36 O ATOM 687 CB SER C 153 23.258 -2.253 13.144 1.00 57.37 C ATOM 688 OG SER C 153 24.047 -2.601 14.262 1.00 62.08 O ATOM 689 N ARG C 154 24.653 -3.845 10.929 1.00 51.44 N ATOM 690 CA ARG C 154 25.482 -4.959 10.517 1.00 53.33 C ATOM 691 C ARG C 154 26.630 -4.392 9.721 1.00 54.67 C ATOM 692 O ARG C 154 27.689 -4.125 10.279 1.00 61.58 O ATOM 693 CB ARG C 154 24.707 -5.950 9.645 1.00 65.49 C ATOM 694 N LEU C 155 26.416 -4.192 8.425 1.00 48.14 N ATOM 695 CA LEU C 155 27.463 -3.669 7.554 1.00 45.39 C ATOM 696 C LEU C 155 28.523 -2.877 8.326 1.00 49.28 C ATOM 697 O LEU C 155 29.718 -3.157 8.215 1.00 55.19 O ATOM 698 CB LEU C 155 26.847 -2.792 6.456 1.00 43.40 C ATOM 699 CG LEU C 155 25.496 -3.336 5.980 1.00 45.52 C ATOM 700 CD1 LEU C 155 25.055 -2.691 4.645 1.00 37.99 C ATOM 701 CD2 LEU C 155 25.635 -4.841 5.819 1.00 50.00 C ATOM 702 N LEU C 156 28.091 -1.907 9.127 1.00 49.12 N ATOM 703 CA LEU C 156 29.036 -1.088 9.888 1.00 55.80 C ATOM 704 C LEU C 156 30.000 -1.887 10.752 1.00 60.25 C ATOM 705 O LEU C 156 31.188 -1.569 10.815 1.00 64.70 O ATOM 706 CB LEU C 156 28.284 -0.092 10.772 1.00 55.68 C ATOM 707 CG LEU C 156 27.921 1.219 10.072 1.00 50.55 C ATOM 708 CD1 LEU C 156 26.970 2.048 10.920 1.00 53.37 C ATOM 709 CD2 LEU C 156 29.181 1.967 9.811 1.00 43.13 C ATOM 710 N GLU C 157 29.477 -2.915 11.419 1.00 63.77 N ATOM 711 CA GLU C 157 30.263 -3.771 12.298 1.00 63.28 C ATOM 712 C GLU C 157 31.110 -4.785 11.545 1.00 65.63 C ATOM 713 O GLU C 157 31.904 -5.502 12.148 1.00 72.30 O ATOM 714 CB GLU C 157 29.342 -4.510 13.262 1.00 63.70 C ATOM 715 CG GLU C 157 28.378 -3.609 14.001 1.00 75.35 C ATOM 716 CD GLU C 157 27.786 -4.292 15.217 1.00 85.94 C ATOM 717 OE1 GLU C 157 28.523 -4.506 16.207 1.00 92.49 O ATOM 718 OE2 GLU C 157 26.584 -4.628 15.184 1.00 91.33 O ATOM 719 N LYS C 158 30.920 -4.882 10.238 1.00 63.99 N ATOM 720 CA LYS C 158 31.728 -5.799 9.447 1.00 61.77 C ATOM 721 C LYS C 158 32.763 -4.975 8.683 1.00 62.32 C ATOM 722 O LYS C 158 33.602 -5.530 7.979 1.00 64.00 O ATOM 723 CB LYS C 158 30.881 -6.559 8.436 1.00 64.44 C ATOM 724 CG LYS C 158 30.088 -7.713 8.977 1.00 67.77 C ATOM 725 N GLY C 159 32.693 -3.652 8.799 1.00 53.16 N ATOM 726 CA GLY C 159 33.655 -2.835 8.090 1.00 55.72 C ATOM 727 C GLY C 159 33.108 -1.601 7.400 1.00 60.31 C ATOM 728 O GLY C 159 33.233 -0.505 7.934 1.00 64.19 O ATOM 729 N HIS C 160 32.527 -1.783 6.214 1.00 62.65 N ATOM 730 CA HIS C 160 31.953 -0.701 5.402 1.00 62.52 C ATOM 731 C HIS C 160 32.103 0.725 5.926 1.00 61.13 C ATOM 732 O HIS C 160 31.903 1.000 7.109 1.00 65.94 O ATOM 733 CB HIS C 160 30.462 -0.954 5.147 1.00 68.36 C ATOM 734 CG HIS C 160 30.181 -2.233 4.430 1.00 73.21 C ATOM 735 ND1 HIS C 160 30.068 -3.441 5.082 1.00 71.52 N ATOM 736 CD2 HIS C 160 30.021 -2.498 3.110 1.00 75.30 C ATOM 737 CE1 HIS C 160 29.849 -4.396 4.194 1.00 82.98 C ATOM 738 NE2 HIS C 160 29.816 -3.850 2.990 1.00 77.63 N ATOM 739 N PRO C 161 32.404 1.668 5.029 1.00 55.58 N ATOM 740 CA PRO C 161 32.575 3.068 5.415 1.00 52.34 C ATOM 741 C PRO C 161 31.296 3.923 5.546 1.00 56.17 C ATOM 742 O PRO C 161 30.433 3.955 4.647 1.00 54.95 O ATOM 743 CB PRO C 161 33.501 3.588 4.328 1.00 54.07 C ATOM 744 CG PRO C 161 32.981 2.893 3.123 1.00 44.96 C ATOM 745 CD PRO C 161 32.746 1.469 3.610 1.00 49.79 C ATOM 746 N ARG C 162 31.204 4.636 6.668 1.00 56.54 N ATOM 747 CA ARG C 162 30.085 5.531 6.953 1.00 51.20 C ATOM 748 C ARG C 162 29.797 6.475 5.779 1.00 55.05 C ATOM 749 O ARG C 162 28.914 7.328 5.884 1.00 62.88 O ATOM 750 CB ARG C 162 30.385 6.388 8.193 1.00 47.21 C ATOM 751 CG ARG C 162 30.435 5.656 9.538 1.00 46.01 C ATOM 752 CD ARG C 162 29.338 6.230 10.448 1.00 54.06 C ATOM 753 NE ARG C 162 29.337 5.746 11.830 1.00 48.86 N ATOM 754 CZ ARG C 162 30.421 5.679 12.599 1.00 57.25 C ATOM 755 NH1 ARG C 162 30.338 5.243 13.859 1.00 46.78 N ATOM 756 NH2 ARG C 162 31.601 6.018 12.091 1.00 62.33 N ATOM 757 N GLN C 163 30.533 6.365 4.674 1.00 56.68 N ATOM 758 CA GLN C 163 30.265 7.257 3.539 1.00 61.21 C ATOM 759 C GLN C 163 29.539 6.593 2.391 1.00 60.82 C ATOM 760 O GLN C 163 28.641 7.191 1.806 1.00 55.07 O ATOM 761 CB GLN C 163 31.543 7.905 3.028 1.00 61.01 C ATOM 762 CG GLN C 163 32.094 8.939 3.991 1.00 75.74 C ATOM 763 CD GLN C 163 32.769 10.091 3.282 1.00 84.81 C ATOM 764 OE1 GLN C 163 32.149 10.784 2.470 1.00 83.27 O ATOM 765 NE2 GLN C 163 34.048 10.306 3.582 1.00 91.80 N ATOM 766 N GLN C 164 29.927 5.363 2.062 1.00 67.97 N ATOM 767 CA GLN C 164 29.256 4.628 0.989 1.00 67.66 C ATOM 768 C GLN C 164 27.815 4.416 1.459 1.00 66.19 C ATOM 769 O GLN C 164 26.862 4.762 0.750 1.00 61.44 O ATOM 770 CG GLN C 164 31.363 3.390 0.184 1.00 88.55 C ATOM 771 N LEU C 165 27.670 3.865 2.666 1.00 60.72 N ATOM 772 CA LEU C 165 26.354 3.628 3.252 1.00 54.44 C ATOM 773 C LEU C 165 25.545 4.903 3.110 1.00 52.33 C ATOM 774 O LEU C 165 24.471 4.904 2.491 1.00 56.95 O ATOM 775 CB LEU C 165 26.487 3.286 4.729 1.00 49.03 C ATOM 776 CG LEU C 165 27.112 1.918 4.973 1.00 46.76 C ATOM 777 CD1 LEU C 165 27.315 1.699 6.475 1.00 38.80 C ATOM 778 CD2 LEU C 165 26.207 0.846 4.357 1.00 36.00 C ATOM 779 N ALA C 166 26.077 5.985 3.676 1.00 46.05 N ATOM 780 CA ALA C 166 25.433 7.287 3.607 1.00 40.67 C ATOM 781 C ALA C 166 24.976 7.504 2.185 1.00 42.82 C ATOM 782 O ALA C 166 23.806 7.746 1.930 1.00 51.35 O ATOM 783 CB ALA C 166 26.411 8.357 3.999 1.00 43.18 C ATOM 784 N ILE C 167 25.918 7.392 1.260 1.00 47.89 N ATOM 785 CA ILE C 167 25.658 7.557 -0.171 1.00 50.66 C ATOM 786 C ILE C 167 24.580 6.589 -0.651 1.00 47.06 C ATOM 787 O ILE C 167 23.479 6.979 -0.999 1.00 45.65 O ATOM 788 CB ILE C 167 26.933 7.260 -0.992 1.00 52.30 C ATOM 789 CG1 ILE C 167 28.048 8.232 -0.619 1.00 59.12 C ATOM 790 CG2 ILE C 167 26.627 7.353 -2.457 1.00 51.07 C ATOM 791 CD1 ILE C 167 29.438 7.749 -1.032 1.00 73.10 C ATOM 792 N ILE C 168 24.927 5.312 -0.676 1.00 45.41 N ATOM 793 CA ILE C 168 24.018 4.284 -1.124 1.00 47.78 C ATOM 794 C ILE C 168 22.597 4.497 -0.582 1.00 45.51 C ATOM 795 O ILE C 168 21.658 4.650 -1.388 1.00 32.87 O ATOM 796 CB ILE C 168 24.559 2.919 -0.710 1.00 54.99 C ATOM 797 CG1 ILE C 168 26.057 2.879 -1.012 1.00 55.43 C ATOM 798 CG2 ILE C 168 23.867 1.807 -1.504 1.00 56.94 C ATOM 799 CD1 ILE C 168 26.845 1.883 -0.177 1.00 65.56 C ATOM 800 N PHE C 169 22.451 4.522 0.756 1.00 41.48 N ATOM 801 CA PHE C 169 21.146 4.731 1.424 1.00 46.18 C ATOM 802 C PHE C 169 20.573 6.145 1.265 1.00 51.46 C ATOM 803 O PHE C 169 19.485 6.457 1.782 1.00 54.42 O ATOM 804 CB PHE C 169 21.233 4.451 2.923 1.00 43.48 C ATOM 805 CG PHE C 169 21.388 3.012 3.259 1.00 45.62 C ATOM 806 CD1 PHE C 169 22.609 2.377 3.089 1.00 52.44 C ATOM 807 CD2 PHE C 169 20.300 2.276 3.709 1.00 43.76 C ATOM 808 CE1 PHE C 169 22.741 1.021 3.362 1.00 59.75 C ATOM 809 CE2 PHE C 169 20.414 0.928 3.984 1.00 48.71 C ATOM 810 CZ PHE C 169 21.630 0.294 3.812 1.00 59.05 C ATOM 811 N GLY C 170 21.312 7.005 0.577 1.00 49.24 N ATOM 812 CA GLY C 170 20.842 8.361 0.368 1.00 51.14 C ATOM 813 C GLY C 170 20.639 9.171 1.634 1.00 52.81 C ATOM 814 O GLY C 170 19.664 9.916 1.737 1.00 63.03 O ATOM 815 N ILE C 171 21.538 9.031 2.607 1.00 49.36 N ATOM 816 CA ILE C 171 21.410 9.802 3.840 1.00 43.00 C ATOM 817 C ILE C 171 22.752 10.398 4.274 1.00 43.59 C ATOM 818 O ILE C 171 23.812 9.755 4.223 1.00 34.89 O ATOM 819 CB ILE C 171 20.804 8.946 4.961 1.00 46.09 C ATOM 820 CG1 ILE C 171 21.852 8.022 5.553 1.00 47.23 C ATOM 821 CG2 ILE C 171 19.680 8.045 4.377 1.00 44.77 C ATOM 822 CD1 ILE C 171 21.373 7.385 6.835 1.00 50.55 C ATOM 823 N GLY C 172 22.695 11.655 4.689 1.00 45.86 N ATOM 824 CA GLY C 172 23.903 12.349 5.083 1.00 44.72 C ATOM 825 C GLY C 172 24.702 11.678 6.173 1.00 36.05 C ATOM 826 O GLY C 172 24.138 11.151 7.139 1.00 39.98 O ATOM 827 N VAL C 173 26.019 11.748 6.038 1.00 31.34 N ATOM 828 CA VAL C 173 26.928 11.135 6.988 1.00 30.19 C ATOM 829 C VAL C 173 26.655 11.467 8.447 1.00 38.97 C ATOM 830 O VAL C 173 26.705 10.578 9.309 1.00 46.78 O ATOM 831 CB VAL C 173 28.355 11.518 6.681 1.00 20.73 C ATOM 832 CG1 VAL C 173 29.279 10.612 7.437 1.00 35.22 C ATOM 833 CG2 VAL C 173 28.602 11.438 5.187 1.00 23.23 C ATOM 834 N SER C 174 26.369 12.735 8.730 1.00 35.71 N ATOM 835 CA SER C 174 26.097 13.174 10.102 1.00 38.83 C ATOM 836 C SER C 174 24.981 12.366 10.723 1.00 43.59 C ATOM 837 O SER C 174 25.050 11.964 11.892 1.00 46.27 O ATOM 838 CB SER C 174 25.696 14.628 10.099 1.00 34.62 C ATOM 839 OG SER C 174 25.716 15.097 8.762 1.00 50.91 O ATOM 840 N THR C 175 23.941 12.140 9.930 1.00 46.00 N ATOM 841 CA THR C 175 22.801 11.368 10.384 1.00 43.05 C ATOM 842 C THR C 175 23.310 10.026 10.890 1.00 40.27 C ATOM 843 O THR C 175 22.930 9.570 11.983 1.00 40.34 O ATOM 844 CB THR C 175 21.806 11.134 9.236 1.00 43.97 C ATOM 845 OG1 THR C 175 21.325 12.405 8.755 1.00 41.63 O ATOM 846 CG2 THR C 175 20.648 10.258 9.706 1.00 25.57 C ATOM 847 N LEU C 176 24.183 9.402 10.107 1.00 38.03 N ATOM 848 CA LEU C 176 24.723 8.119 10.512 1.00 44.84 C ATOM 849 C LEU C 176 25.481 8.177 11.836 1.00 49.62 C ATOM 850 O LEU C 176 25.173 7.396 12.744 1.00 57.60 O ATOM 851 CB LEU C 176 25.605 7.537 9.412 1.00 44.88 C ATOM 852 CG LEU C 176 24.734 7.054 8.249 1.00 49.11 C ATOM 853 CD1 LEU C 176 25.568 6.426 7.123 1.00 51.53 C ATOM 854 CD2 LEU C 176 23.773 6.053 8.801 1.00 31.97 C ATOM 855 N TYR C 177 26.459 9.071 11.979 1.00 43.53 N ATOM 856 CA TYR C 177 27.169 9.122 13.259 1.00 46.89 C ATOM 857 C TYR C 177 26.165 9.327 14.404 1.00 46.74 C ATOM 858 O TYR C 177 26.459 9.009 15.569 1.00 40.90 O ATOM 859 CB TYR C 177 28.213 10.251 13.279 1.00 47.12 C ATOM 860 CG TYR C 177 29.469 9.946 12.496 1.00 48.50 C ATOM 861 CD1 TYR C 177 30.426 9.085 12.996 1.00 45.83 C ATOM 862 CD2 TYR C 177 29.691 10.517 11.249 1.00 47.57 C ATOM 863 CE1 TYR C 177 31.568 8.802 12.278 1.00 52.22 C ATOM 864 CE2 TYR C 177 30.832 10.237 10.526 1.00 43.94 C ATOM 865 CZ TYR C 177 31.767 9.379 11.043 1.00 52.73 C ATOM 866 OH TYR C 177 32.909 9.086 10.323 1.00 63.87 O ATOM 867 N ARG C 178 24.985 9.859 14.062 1.00 45.84 N ATOM 868 CA ARG C 178 23.942 10.099 15.057 1.00 47.59 C ATOM 869 C ARG C 178 23.295 8.798 15.458 1.00 46.23 C ATOM 870 O ARG C 178 23.310 8.452 16.628 1.00 51.96 O ATOM 871 CB ARG C 178 22.878 11.060 14.534 1.00 59.63 C ATOM 872 CG ARG C 178 22.675 12.247 15.488 1.00 73.64 C ATOM 873 CD ARG C 178 21.529 13.127 15.081 1.00 65.93 C ATOM 874 NE ARG C 178 20.267 12.396 15.061 1.00 69.31 N ATOM 875 CZ ARG C 178 19.526 12.127 16.133 1.00 71.75 C ATOM 876 NH1 ARG C 178 18.391 11.449 15.991 1.00 75.61 N ATOM 877 NH2 ARG C 178 19.902 12.544 17.336 1.00 60.66 N ATOM 878 N TYR C 179 22.718 8.082 14.497 1.00 40.12 N ATOM 879 CA TYR C 179 22.123 6.781 14.793 1.00 41.89 C ATOM 880 C TYR C 179 23.187 5.826 15.396 1.00 49.17 C ATOM 881 O TYR C 179 22.938 5.161 16.416 1.00 50.23 O ATOM 882 CB TYR C 179 21.543 6.143 13.519 1.00 42.42 C ATOM 883 CG TYR C 179 20.168 6.631 13.140 1.00 47.32 C ATOM 884 CD1 TYR C 179 19.931 7.973 12.870 1.00 52.95 C ATOM 885 CD2 TYR C 179 19.093 5.753 13.084 1.00 50.79 C ATOM 886 CE1 TYR C 179 18.648 8.434 12.555 1.00 55.83 C ATOM 887 CE2 TYR C 179 17.809 6.193 12.774 1.00 53.34 C ATOM 888 CZ TYR C 179 17.583 7.541 12.508 1.00 60.64 C ATOM 889 OH TYR C 179 16.300 7.992 12.204 1.00 46.64 O ATOM 890 N PHE C 180 24.366 5.755 14.774 1.00 41.83 N ATOM 891 CA PHE C 180 25.400 4.862 15.277 1.00 46.48 C ATOM 892 C PHE C 180 26.694 5.578 15.596 1.00 43.47 C ATOM 893 O PHE C 180 27.592 5.647 14.773 1.00 41.54 O ATOM 894 CB PHE C 180 25.706 3.751 14.279 1.00 50.19 C ATOM 895 CG PHE C 180 24.509 3.235 13.549 1.00 53.25 C ATOM 896 CD1 PHE C 180 23.951 3.961 12.505 1.00 55.32 C ATOM 897 CD2 PHE C 180 24.008 1.978 13.823 1.00 60.15 C ATOM 898 CE1 PHE C 180 22.927 3.437 11.737 1.00 50.74 C ATOM 899 CE2 PHE C 180 22.973 1.441 13.052 1.00 67.43 C ATOM 900 CZ PHE C 180 22.438 2.176 12.004 1.00 59.88 C ATOM 901 N PRO C 181 26.803 6.124 16.810 1.00 49.12 N ATOM 902 CA PRO C 181 28.015 6.833 17.202 1.00 53.18 C ATOM 903 C PRO C 181 29.236 5.948 17.024 1.00 56.06 C ATOM 904 O PRO C 181 29.130 4.724 17.099 1.00 57.05 O ATOM 905 CB PRO C 181 27.753 7.161 18.669 1.00 54.60 C ATOM 906 CG PRO C 181 26.291 7.357 18.705 1.00 44.86 C ATOM 907 CD PRO C 181 25.799 6.187 17.888 1.00 51.23 C ATOM 908 N ALA C 182 30.384 6.574 16.776 1.00 55.48 N ATOM 909 CA ALA C 182 31.624 5.838 16.609 1.00 58.30 C ATOM 910 C ALA C 182 31.829 5.038 17.882 1.00 67.42 C ATOM 911 O ALA C 182 32.079 3.830 17.827 1.00 72.50 O ATOM 912 CB ALA C 182 32.778 6.791 16.409 1.00 59.68 C ATOM 913 N SER C 183 31.716 5.708 19.033 1.00 69.97 N ATOM 914 CA SER C 183 31.886 5.026 20.325 1.00 71.36 C ATOM 915 C SER C 183 30.687 4.113 20.638 1.00 71.40 C ATOM 916 O SER C 183 30.003 4.280 21.659 1.00 75.43 O ATOM 917 CB SER C 183 32.061 6.052 21.461 1.00 64.80 C ATOM 918 OG SER C 183 30.874 6.814 21.662 1.00 68.76 O ATOM 919 N SER C 184 30.431 3.157 19.753 1.00 67.21 N ATOM 920 CA SER C 184 29.324 2.217 19.930 1.00 69.99 C ATOM 921 C SER C 184 29.430 1.088 18.902 1.00 68.24 C ATOM 922 O SER C 184 28.423 0.627 18.361 1.00 64.20 O ATOM 923 CB SER C 184 27.974 2.946 19.793 1.00 69.05 C ATOM 924 OG SER C 184 27.911 3.730 18.608 1.00 73.55 O ATOM 925 N ILE C 185 30.665 0.646 18.661 1.00 67.97 N ATOM 926 CA ILE C 185 30.949 -0.408 17.700 1.00 64.42 C ATOM 927 C ILE C 185 32.070 -1.345 18.143 1.00 66.14 C ATOM 928 O ILE C 185 31.936 -2.558 17.839 1.00 66.40 O ATOM 929 CB ILE C 185 31.323 0.203 16.356 1.00 57.66 C ATOM 930 CG1 ILE C 185 30.176 1.094 15.879 1.00 55.07 C ATOM 931 CG2 ILE C 185 31.619 -0.903 15.341 1.00 61.54 C ATOM 932 CD1 ILE C 185 28.899 0.326 15.598 1.00 56.94 C TER 933 ILE C 185 MASTER 366 0 0 3 0 0 0 6 930 3 0 8 END
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Entry Information
PDB ID
1jkq
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-INVERTASE HIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
2.86(Å)
Affinity (Kd/Ki/IC50)
Kd=27.1nM
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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