Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 12-JUL-01 1JKO 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*GP*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*CP*CP*AP*AP*AP*AP*AP*C)- COMPND 8 3'; COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: DNA-INVERTASE HIN; COMPND 13 CHAIN: C; COMPND 14 FRAGMENT: RESIDUES 139 TO 190; COMPND 15 SYNONYM: HIN RECOMBINASE; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS WATER-MEDIATED RECOGNITION, PROTEIN-DNA COMPLEX, HIN KEYWDS 2 RECOMBINASE, A10G 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 1JKO 1 VERSN REVDAT 1 22-FEB-02 1JKO 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. 2.24 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) : 2.24 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 14.00 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) (%) : 81.3 REMARK 3 NUMBER OF REFLECTIONS : 6235 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) : 0.244 REMARK 3 FREE R VALUE : 0.306 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.210 REMARK 3 FREE R VALUE TEST SET COUNT : 630 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) : 2.24 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 50.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 432 REMARK 3 BIN R VALUE (WORKING SET) : 0.4660 REMARK 3 BIN FREE R VALUE : 0.4314 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 42 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 : 323 REMARK 3 NUCLEIC ACID ATOMS : 568 REMARK 3 HETEROGEN ATOMS : 8 REMARK 3 SOLVENT ATOMS : 13 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 67.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 64.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 19.38000 REMARK 3 B22 (A**2) : 2.14000 REMARK 3 B33 (A**2) : -21.52000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.47 REMARK 3 ESD FROM SIGMAA (A) : 0.74 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) : 0.41 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.73 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.25 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.44 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.49 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) : 4.090 ; 4.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 6.220 ; 6.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 6.100 ; 6.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 9.240 ; 7.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 100.00 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JKO 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 RCSB013882. 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 : 7.50 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 : 6235 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.240 REMARK 200 RESOLUTION RANGE LOW (A) : 14.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 81.3 REMARK 200 DATA REDUNDANCY : 15.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06800 REMARK 200
FOR THE DATA SET : 19.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.24 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.34 REMARK 200 COMPLETENESS FOR SHELL (%) : 50.8 REMARK 200 DATA REDUNDANCY IN SHELL : 1.49 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.21500 REMARK 200
FOR SHELL : 2.100 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 (%): 51.74 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP VAPOR DIFFUSION AT 4C, REMARK 280 WITH INITIAL CONCENTRATION IN DROP OF 0.10 MM DNA, 0.06 MM REMARK 280 HIN, 10 MM HEPES (PH 7.5), 5 MM CACL2, 13 MM NACL, 2.8% V/V REMARK 280 PEG400, AND 1.56 MM NA CACODYLATE. RESERVOIR SOLUTION CONTAINS REMARK 280 100 MM HEPES (PH 7.5), 50 MM CACL2, AND 25% PEG400. REMARK 280 CONCENTRATION OF PEG400 IN RESERVOIR SOLUTION WAS INCREASED IN REMARK 280 5% INCREMENTS TO 35%., PH 7.50, VAPOR DIFFUSION, 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 21.86700 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 21.86700 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 42.80600 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.99800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.80600 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.99800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 21.86700 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.80600 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 40.99800 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 21.86700 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.80600 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 40.99800 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ILE C 185 REMARK 465 LYS C 186 REMARK 465 LYS C 187 REMARK 465 ARG C 188 REMARK 465 MET C 189 REMARK 465 ASN C 190 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS C 146 CG CD CE NZ REMARK 470 HIS C 147 CB CG ND1 CD2 CE1 NE2 REMARK 470 GLU C 148 CG CD OE1 OE2 REMARK 470 GLN C 149 CB CG CD OE1 NE2 REMARK 470 GLU C 150 CB CG CD OE1 OE2 REMARK 470 ARG C 154 CB CG CD NE CZ NH1 NH2 REMARK 470 GLU C 157 CB CG CD OE1 OE2 REMARK 470 LYS C 158 CG CD CE NZ REMARK 470 GLN C 163 CG CD OE1 NE2 REMARK 470 GLN C 164 CB CG CD OE1 NE2 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 PRO C 181 153.76 -46.91 REMARK 500 SER C 183 34.11 -96.57 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 0.07 SIDE_CHAIN REMARK 500 DA B 27 0.06 SIDE_CHAIN REMARK 500 DA B 28 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 208 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH C 212 DISTANCE = 8.45 ANGSTROMS REMARK 525 HOH C 214 DISTANCE = 5.41 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TRS A 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HCR RELATED DB: PDB REMARK 900 NATIVE WILD-TYPE HIN RECOMBINASE DNA-BINDING DOMAIN BOUND REMARK 900 TO UNDERIVATIZED HIXL HALF-SITE. REMARK 900 RELATED ID: 1IJW RELATED DB: PDB REMARK 900 FORM1 BR18 DERIVATIVE REMARK 900 RELATED ID: 1JJ6 RELATED DB: PDB REMARK 900 FORM1 I5 DERIVATIVE REMARK 900 RELATED ID: 1JJ8 RELATED DB: PDB REMARK 900 FORM2 I4 DERIVATIVE REMARK 900 RELATED ID: 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 1JKO C 139 190 UNP P03013 HIN_SALTY 139 190 DBREF 1JKO A 2 15 PDB 1JKO 1JKO 2 15 DBREF 1JKO B 16 29 PDB 1JKO 1JKO 16 29 SEQRES 1 A 14 DT DG DT DT DT DT DT DG DG DT DA DA DG SEQRES 2 A 14 DA SEQRES 1 B 14 DA DT DC DT DT DA DC DC DA DA DA DA DA SEQRES 2 B 14 DC SEQRES 1 C 52 GLY ARG PRO ARG ALA ILE ASN LYS HIS GLU GLN GLU GLN SEQRES 2 C 52 ILE SER ARG LEU LEU GLU LYS GLY HIS PRO ARG GLN GLN SEQRES 3 C 52 LEU ALA ILE ILE PHE GLY ILE GLY VAL SER THR LEU TYR SEQRES 4 C 52 ARG TYR PHE PRO ALA SER SER ILE LYS LYS ARG MET ASN HET TRS A 204 8 HETNAM TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL HETSYN TRS TRIS BUFFER FORMUL 4 TRS C4 H12 N O3 1+ FORMUL 5 HOH *13(H2 O) HELIX 1 1 HIS C 147 LYS C 158 1 12 HELIX 2 2 PRO C 161 ILE C 168 1 8 HELIX 3 3 GLY C 172 PHE C 180 1 9 SITE 1 AC1 3 DG A 9 DG A 10 DA B 25 CRYST1 85.612 81.996 43.734 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 0.011681 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012196 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022865 0.00000 ATOM 1 O5' DT A 2 -0.493 33.942 5.974 1.00110.00 O ATOM 2 C5' DT A 2 -0.141 32.565 5.811 1.00109.73 C ATOM 3 C4' DT A 2 0.143 31.879 7.128 1.00109.16 C ATOM 4 O4' DT A 2 0.124 30.445 6.927 1.00106.12 O ATOM 5 C3' DT A 2 1.499 32.196 7.760 1.00105.87 C ATOM 6 O3' DT A 2 1.360 32.218 9.191 1.00105.63 O ATOM 7 C2' DT A 2 2.373 31.049 7.282 1.00105.20 C ATOM 8 C1' DT A 2 1.399 29.881 7.218 1.00 99.19 C ATOM 9 N1 DT A 2 1.697 28.901 6.158 1.00 88.61 N ATOM 10 C2 DT A 2 1.335 27.587 6.358 1.00 84.51 C ATOM 11 O2 DT A 2 0.822 27.185 7.390 1.00 82.39 O ATOM 12 N3 DT A 2 1.594 26.758 5.301 1.00 84.77 N ATOM 13 C4 DT A 2 2.170 27.103 4.093 1.00 85.82 C ATOM 14 O4 DT A 2 2.316 26.251 3.219 1.00 88.05 O ATOM 15 C5 DT A 2 2.554 28.491 3.966 1.00 85.75 C ATOM 16 C7 DT A 2 3.209 28.954 2.704 1.00 87.30 C ATOM 17 C6 DT A 2 2.303 29.307 4.991 1.00 85.26 C ATOM 18 P DG A 3 2.631 31.924 10.144 1.00110.00 P ATOM 19 OP1 DG A 3 2.558 32.900 11.267 1.00109.12 O ATOM 20 OP2 DG A 3 3.893 31.797 9.361 1.00110.00 O ATOM 21 O5' DG A 3 2.297 30.503 10.774 1.00 98.51 O ATOM 22 C5' DG A 3 1.218 30.361 11.696 1.00 85.98 C ATOM 23 C4' DG A 3 1.496 29.212 12.629 1.00 74.97 C ATOM 24 O4' DG A 3 1.455 27.978 11.874 1.00 71.20 O ATOM 25 C3' DG A 3 2.893 29.289 13.234 1.00 71.81 C ATOM 26 O3' DG A 3 2.878 28.753 14.561 1.00 76.72 O ATOM 27 C2' DG A 3 3.718 28.438 12.290 1.00 75.54 C ATOM 28 C1' DG A 3 2.732 27.368 11.858 1.00 65.76 C ATOM 29 N9 DG A 3 2.982 26.870 10.507 1.00 60.96 N ATOM 30 C8 DG A 3 3.485 27.581 9.440 1.00 59.18 C ATOM 31 N7 DG A 3 3.667 26.844 8.374 1.00 59.52 N ATOM 32 C5 DG A 3 3.242 25.575 8.753 1.00 55.29 C ATOM 33 C6 DG A 3 3.221 24.366 8.023 1.00 50.04 C ATOM 34 O6 DG A 3 3.573 24.170 6.844 1.00 48.04 O ATOM 35 N1 DG A 3 2.730 23.311 8.793 1.00 47.16 N ATOM 36 C2 DG A 3 2.301 23.417 10.102 1.00 52.18 C ATOM 37 N2 DG A 3 1.866 22.295 10.692 1.00 50.56 N ATOM 38 N3 DG A 3 2.304 24.545 10.785 1.00 57.17 N ATOM 39 C4 DG A 3 2.796 25.576 10.057 1.00 57.35 C ATOM 40 P DT A 4 4.260 28.486 15.327 1.00 82.36 P ATOM 41 OP1 DT A 4 4.249 29.195 16.627 1.00 81.30 O ATOM 42 OP2 DT A 4 5.370 28.720 14.361 1.00 78.14 O ATOM 43 O5' DT A 4 4.170 26.946 15.687 1.00 77.25 O ATOM 44 C5' DT A 4 2.981 26.420 16.265 1.00 60.94 C ATOM 45 C4' DT A 4 3.098 24.921 16.382 1.00 57.09 C ATOM 46 O4' DT A 4 3.193 24.342 15.052 1.00 46.81 O ATOM 47 C3' DT A 4 4.370 24.507 17.111 1.00 56.60 C ATOM 48 O3' DT A 4 4.093 23.356 17.906 1.00 65.84 O ATOM 49 C2' DT A 4 5.332 24.187 15.979 1.00 56.48 C ATOM 50 C1' DT A 4 4.398 23.627 14.919 1.00 45.98 C ATOM 51 N1 DT A 4 4.867 23.767 13.529 1.00 45.57 N ATOM 52 C2 DT A 4 4.866 22.628 12.756 1.00 46.59 C ATOM 53 O2 DT A 4 4.494 21.548 13.179 1.00 50.11 O ATOM 54 N3 DT A 4 5.344 22.792 11.477 1.00 41.08 N ATOM 55 C4 DT A 4 5.838 23.953 10.924 1.00 44.57 C ATOM 56 O4 DT A 4 6.275 23.954 9.776 1.00 45.61 O ATOM 57 C5 DT A 4 5.801 25.110 11.781 1.00 41.99 C ATOM 58 C7 DT A 4 6.305 26.404 11.237 1.00 45.43 C ATOM 59 C6 DT A 4 5.313 24.972 13.025 1.00 43.42 C ATOM 60 P DT A 5 5.261 22.706 18.789 1.00 63.46 P ATOM 61 OP1 DT A 5 4.715 22.207 20.087 1.00 64.13 O ATOM 62 OP2 DT A 5 6.374 23.705 18.786 1.00 71.72 O ATOM 63 O5' DT A 5 5.659 21.404 17.972 1.00 59.12 O ATOM 64 C5' DT A 5 4.733 20.345 17.858 1.00 59.61 C ATOM 65 C4' DT A 5 5.315 19.221 17.037 1.00 64.79 C ATOM 66 O4' DT A 5 5.562 19.633 15.669 1.00 67.30 O ATOM 67 C3' DT A 5 6.636 18.679 17.564 1.00 60.98 C ATOM 68 O3' DT A 5 6.560 17.260 17.551 1.00 68.24 O ATOM 69 C2' DT A 5 7.665 19.192 16.568 1.00 61.25 C ATOM 70 C1' DT A 5 6.864 19.239 15.282 1.00 54.77 C ATOM 71 N1 DT A 5 7.349 20.195 14.260 1.00 51.66 N ATOM 72 C2 DT A 5 7.394 19.762 12.951 1.00 50.19 C ATOM 73 O2 DT A 5 6.971 18.664 12.597 1.00 46.55 O ATOM 74 N3 DT A 5 7.937 20.668 12.061 1.00 48.80 N ATOM 75 C4 DT A 5 8.402 21.939 12.345 1.00 49.82 C ATOM 76 O4 DT A 5 8.901 22.622 11.444 1.00 58.56 O ATOM 77 C5 DT A 5 8.262 22.352 13.741 1.00 47.23 C ATOM 78 C7 DT A 5 8.681 23.731 14.148 1.00 38.95 C ATOM 79 C6 DT A 5 7.755 21.466 14.607 1.00 51.24 C ATOM 80 P DT A 6 7.446 16.415 18.581 1.00 76.52 P ATOM 81 OP1 DT A 6 6.549 15.456 19.267 1.00 76.13 O ATOM 82 OP2 DT A 6 8.251 17.373 19.390 1.00 70.61 O ATOM 83 O5' DT A 6 8.366 15.586 17.587 1.00 73.31 O ATOM 84 C5' DT A 6 7.768 14.928 16.473 1.00 79.90 C ATOM 85 C4' DT A 6 8.806 14.625 15.423 1.00 75.87 C ATOM 86 O4' DT A 6 9.083 15.768 14.575 1.00 73.52 O ATOM 87 C3' DT A 6 10.142 14.201 16.020 1.00 81.69 C ATOM 88 O3' DT A 6 10.608 13.052 15.315 1.00 89.22 O ATOM 89 C2' DT A 6 11.038 15.414 15.787 1.00 76.06 C ATOM 90 C1' DT A 6 10.486 15.947 14.479 1.00 59.92 C ATOM 91 N1 DT A 6 10.765 17.367 14.138 1.00 44.87 N ATOM 92 C2 DT A 6 10.838 17.685 12.789 1.00 44.52 C ATOM 93 O2 DT A 6 10.673 16.861 11.896 1.00 47.90 O ATOM 94 N3 DT A 6 11.110 19.000 12.518 1.00 38.69 N ATOM 95 C4 DT A 6 11.306 20.015 13.432 1.00 34.49 C ATOM 96 O4 DT A 6 11.563 21.163 13.033 1.00 37.72 O ATOM 97 C5 DT A 6 11.189 19.619 14.830 1.00 32.48 C ATOM 98 C7 DT A 6 11.323 20.664 15.884 1.00 30.77 C ATOM 99 C6 DT A 6 10.944 18.329 15.106 1.00 36.12 C ATOM 100 P DT A 7 11.685 12.082 15.999 1.00 89.54 P ATOM 101 OP1 DT A 7 11.018 10.781 16.262 1.00 86.80 O ATOM 102 OP2 DT A 7 12.345 12.808 17.118 1.00 94.56 O ATOM 103 O5' DT A 7 12.717 11.886 14.813 1.00 78.17 O ATOM 104 C5' DT A 7 12.226 11.746 13.490 1.00 75.36 C ATOM 105 C4' DT A 7 13.176 12.385 12.509 1.00 77.49 C ATOM 106 O4' DT A 7 13.088 13.839 12.575 1.00 70.08 O ATOM 107 C3' DT A 7 14.651 12.013 12.711 1.00 72.20 C ATOM 108 O3' DT A 7 15.171 11.519 11.479 1.00 67.64 O ATOM 109 C2' DT A 7 15.306 13.328 13.098 1.00 74.77 C ATOM 110 C1' DT A 7 14.390 14.369 12.462 1.00 68.49 C ATOM 111 N1 DT A 7 14.428 15.698 13.120 1.00 61.62 N ATOM 112 C2 DT A 7 14.504 16.811 12.311 1.00 60.01 C ATOM 113 O2 DT A 7 14.427 16.758 11.087 1.00 57.73 O ATOM 114 N3 DT A 7 14.660 17.997 12.986 1.00 54.11 N ATOM 115 C4 DT A 7 14.719 18.183 14.353 1.00 55.00 C ATOM 116 O4 DT A 7 14.898 19.318 14.814 1.00 57.08 O ATOM 117 C5 DT A 7 14.574 16.988 15.143 1.00 54.21 C ATOM 118 C7 DT A 7 14.587 17.100 16.635 1.00 57.00 C ATOM 119 C6 DT A 7 14.433 15.818 14.497 1.00 57.63 C ATOM 120 P DT A 8 16.747 11.232 11.308 1.00 62.25 P ATOM 121 OP1 DT A 8 16.807 9.943 10.575 1.00 58.32 O ATOM 122 OP2 DT A 8 17.479 11.384 12.608 1.00 51.82 O ATOM 123 O5' DT A 8 17.108 12.340 10.225 1.00 57.05 O ATOM 124 C5' DT A 8 16.191 12.519 9.138 1.00 53.44 C ATOM 125 C4' DT A 8 16.686 13.538 8.143 1.00 53.05 C ATOM 126 O4' DT A 8 16.576 14.882 8.675 1.00 52.49 O ATOM 127 C3' DT A 8 18.130 13.343 7.707 1.00 46.35 C ATOM 128 O3' DT A 8 18.227 13.467 6.291 1.00 46.34 O ATOM 129 C2' DT A 8 18.876 14.455 8.432 1.00 50.27 C ATOM 130 C1' DT A 8 17.829 15.551 8.632 1.00 42.89 C ATOM 131 N1 DT A 8 17.968 16.303 9.911 1.00 33.79 N ATOM 132 C2 DT A 8 18.074 17.681 9.876 1.00 32.67 C ATOM 133 O2 DT A 8 18.113 18.320 8.824 1.00 35.18 O ATOM 134 N3 DT A 8 18.152 18.286 11.117 1.00 30.86 N ATOM 135 C4 DT A 8 18.145 17.652 12.350 1.00 40.90 C ATOM 136 O4 DT A 8 18.202 18.310 13.403 1.00 45.94 O ATOM 137 C5 DT A 8 18.074 16.229 12.304 1.00 40.48 C ATOM 138 C7 DT A 8 18.125 15.476 13.594 1.00 48.60 C ATOM 139 C6 DT A 8 17.983 15.628 11.108 1.00 36.70 C ATOM 140 P DG A 9 19.624 13.183 5.593 1.00 55.61 P ATOM 141 OP1 DG A 9 19.530 12.904 4.119 1.00 45.90 O ATOM 142 OP2 DG A 9 20.247 12.173 6.493 1.00 53.41 O ATOM 143 O5' DG A 9 20.375 14.570 5.774 1.00 64.72 O ATOM 144 C5' DG A 9 20.112 15.670 4.917 1.00 58.35 C ATOM 145 C4' DG A 9 21.150 16.739 5.153 1.00 50.94 C ATOM 146 O4' DG A 9 21.045 17.224 6.515 1.00 49.02 O ATOM 147 C3' DG A 9 22.585 16.233 5.027 1.00 45.55 C ATOM 148 O3' DG A 9 23.394 17.300 4.583 1.00 59.45 O ATOM 149 C2' DG A 9 22.965 15.944 6.467 1.00 39.30 C ATOM 150 C1' DG A 9 22.300 17.100 7.161 1.00 33.66 C ATOM 151 N9 DG A 9 22.059 16.864 8.573 1.00 33.64 N ATOM 152 C8 DG A 9 21.920 15.642 9.179 1.00 31.17 C ATOM 153 N7 DG A 9 21.753 15.734 10.479 1.00 37.84 N ATOM 154 C5 DG A 9 21.762 17.096 10.742 1.00 34.22 C ATOM 155 C6 DG A 9 21.573 17.792 11.967 1.00 44.10 C ATOM 156 O6 DG A 9 21.311 17.335 13.079 1.00 53.70 O ATOM 157 N1 DG A 9 21.686 19.169 11.803 1.00 43.38 N ATOM 158 C2 DG A 9 21.914 19.795 10.603 1.00 47.94 C ATOM 159 N2 DG A 9 22.026 21.123 10.674 1.00 55.05 N ATOM 160 N3 DG A 9 22.029 19.156 9.426 1.00 37.92 N ATOM 161 C4 DG A 9 21.952 17.816 9.580 1.00 34.89 C ATOM 162 P DG A 10 24.461 17.047 3.433 1.00 71.58 P ATOM 163 OP1 DG A 10 23.739 16.777 2.163 1.00 66.28 O ATOM 164 OP2 DG A 10 25.407 16.038 3.974 1.00 74.57 O ATOM 165 O5' DG A 10 25.193 18.453 3.314 1.00 66.47 O ATOM 166 C5' DG A 10 24.448 19.652 3.143 1.00 58.94 C ATOM 167 C4' DG A 10 25.091 20.781 3.914 1.00 58.79 C ATOM 168 O4' DG A 10 24.843 20.633 5.334 1.00 59.25 O ATOM 169 C3' DG A 10 26.604 20.917 3.755 1.00 56.98 C ATOM 170 O3' DG A 10 26.913 22.300 3.595 1.00 62.02 O ATOM 171 C2' DG A 10 27.160 20.364 5.062 1.00 52.03 C ATOM 172 C1' DG A 10 26.055 20.641 6.081 1.00 47.96 C ATOM 173 N9 DG A 10 25.916 19.609 7.102 1.00 43.78 N ATOM 174 C8 DG A 10 25.940 18.251 6.883 1.00 50.35 C ATOM 175 N7 DG A 10 25.711 17.548 7.962 1.00 46.36 N ATOM 176 C5 DG A 10 25.548 18.492 8.956 1.00 40.62 C ATOM 177 C6 DG A 10 25.257 18.321 10.321 1.00 43.31 C ATOM 178 O6 DG A 10 25.076 17.277 10.934 1.00 45.22 O ATOM 179 N1 DG A 10 25.170 19.540 10.987 1.00 41.02 N ATOM 180 C2 DG A 10 25.347 20.762 10.403 1.00 42.80 C ATOM 181 N2 DG A 10 25.268 21.801 11.237 1.00 45.25 N ATOM 182 N3 DG A 10 25.596 20.945 9.107 1.00 40.90 N ATOM 183 C4 DG A 10 25.685 19.775 8.449 1.00 40.60 C ATOM 184 P DT A 11 28.437 22.770 3.503 1.00 66.08 P ATOM 185 OP1 DT A 11 28.412 24.153 2.973 1.00 67.37 O ATOM 186 OP2 DT A 11 29.216 21.719 2.794 1.00 67.86 O ATOM 187 O5' DT A 11 28.913 22.784 5.021 1.00 59.60 O ATOM 188 C5' DT A 11 28.095 23.360 6.035 1.00 61.81 C ATOM 189 C4' DT A 11 28.851 23.420 7.340 1.00 56.89 C ATOM 190 O4' DT A 11 28.430 22.380 8.262 1.00 61.68 O ATOM 191 C3' DT A 11 30.371 23.291 7.200 1.00 61.33 C ATOM 192 O3' DT A 11 30.997 24.269 8.022 1.00 72.45 O ATOM 193 C2' DT A 11 30.658 21.906 7.759 1.00 51.59 C ATOM 194 C1' DT A 11 29.578 21.775 8.826 1.00 46.86 C ATOM 195 N1 DT A 11 29.230 20.398 9.226 1.00 41.71 N ATOM 196 C2 DT A 11 28.890 20.174 10.555 1.00 45.07 C ATOM 197 O2 DT A 11 28.762 21.074 11.371 1.00 52.37 O ATOM 198 N3 DT A 11 28.684 18.848 10.886 1.00 35.51 N ATOM 199 C4 DT A 11 28.761 17.784 10.036 1.00 32.82 C ATOM 200 O4 DT A 11 28.594 16.670 10.458 1.00 40.27 O ATOM 201 C5 DT A 11 29.057 18.097 8.652 1.00 30.72 C ATOM 202 C7 DT A 11 29.115 16.978 7.674 1.00 35.86 C ATOM 203 C6 DT A 11 29.270 19.365 8.316 1.00 34.89 C ATOM 204 P DA A 12 32.323 25.022 7.511 1.00 74.79 P ATOM 205 OP1 DA A 12 31.881 26.074 6.566 1.00 69.46 O ATOM 206 OP2 DA A 12 33.339 24.019 7.077 1.00 78.00 O ATOM 207 O5' DA A 12 32.830 25.711 8.851 1.00 67.98 O ATOM 208 C5' DA A 12 31.894 26.326 9.722 1.00 64.77 C ATOM 209 C4' DA A 12 32.091 25.853 11.143 1.00 69.79 C ATOM 210 O4' DA A 12 31.696 24.461 11.309 1.00 66.72 O ATOM 211 C3' DA A 12 33.513 25.970 11.687 1.00 71.08 C ATOM 212 O3' DA A 12 33.455 26.587 12.982 1.00 79.12 O ATOM 213 C2' DA A 12 33.987 24.524 11.758 1.00 68.26 C ATOM 214 C1' DA A 12 32.702 23.749 12.022 1.00 63.02 C ATOM 215 N9 DA A 12 32.701 22.362 11.536 1.00 58.70 N ATOM 216 C8 DA A 12 33.069 21.944 10.278 1.00 56.86 C ATOM 217 N7 DA A 12 32.933 20.653 10.089 1.00 54.88 N ATOM 218 C5 DA A 12 32.446 20.182 11.304 1.00 52.91 C ATOM 219 C6 DA A 12 32.086 18.880 11.748 1.00 51.46 C ATOM 220 N6 DA A 12 32.102 17.793 10.967 1.00 49.94 N ATOM 221 N1 DA A 12 31.686 18.742 13.027 1.00 49.49 N ATOM 222 C2 DA A 12 31.617 19.842 13.792 1.00 51.91 C ATOM 223 N3 DA A 12 31.897 21.117 13.481 1.00 56.84 N ATOM 224 C4 DA A 12 32.315 21.219 12.211 1.00 54.92 C ATOM 225 P DA A 13 34.803 26.816 13.831 1.00 83.67 P ATOM 226 OP1 DA A 13 34.539 27.860 14.860 1.00 75.40 O ATOM 227 OP2 DA A 13 35.958 26.972 12.902 1.00 81.76 O ATOM 228 O5' DA A 13 34.950 25.448 14.629 1.00 86.60 O ATOM 229 C5' DA A 13 33.991 25.093 15.622 1.00 87.81 C ATOM 230 C4' DA A 13 34.515 23.949 16.453 1.00 83.89 C ATOM 231 O4' DA A 13 34.413 22.705 15.715 1.00 81.98 O ATOM 232 C3' DA A 13 35.992 24.105 16.812 1.00 80.12 C ATOM 233 O3' DA A 13 36.214 23.576 18.118 1.00 75.98 O ATOM 234 C2' DA A 13 36.690 23.247 15.772 1.00 74.08 C ATOM 235 C1' DA A 13 35.698 22.110 15.614 1.00 71.43 C ATOM 236 N9 DA A 13 35.758 21.410 14.335 1.00 60.13 N ATOM 237 C8 DA A 13 36.111 21.898 13.104 1.00 58.33 C ATOM 238 N7 DA A 13 36.018 21.014 12.147 1.00 56.54 N ATOM 239 C5 DA A 13 35.574 19.867 12.796 1.00 45.50 C ATOM 240 C6 DA A 13 35.235 18.592 12.330 1.00 43.27 C ATOM 241 N6 DA A 13 35.206 18.264 11.037 1.00 45.48 N ATOM 242 N1 DA A 13 34.879 17.665 13.240 1.00 44.31 N ATOM 243 C2 DA A 13 34.805 18.032 14.521 1.00 47.18 C ATOM 244 N3 DA A 13 35.045 19.216 15.071 1.00 43.48 N ATOM 245 C4 DA A 13 35.436 20.093 14.142 1.00 48.71 C ATOM 246 P DG A 14 37.599 23.862 18.869 1.00 80.48 P ATOM 247 OP1 DG A 14 37.265 24.568 20.133 1.00 76.31 O ATOM 248 OP2 DG A 14 38.562 24.467 17.903 1.00 73.11 O ATOM 249 O5' DG A 14 38.095 22.398 19.244 1.00 80.34 O ATOM 250 C5' DG A 14 37.228 21.523 19.958 1.00 76.33 C ATOM 251 C4' DG A 14 37.731 20.105 19.874 1.00 73.02 C ATOM 252 O4' DG A 14 37.426 19.516 18.583 1.00 71.57 O ATOM 253 C3' DG A 14 39.240 19.981 20.063 1.00 73.89 C ATOM 254 O3' DG A 14 39.498 18.844 20.889 1.00 85.92 O ATOM 255 C2' DG A 14 39.741 19.735 18.648 1.00 69.63 C ATOM 256 C1' DG A 14 38.598 18.920 18.059 1.00 60.38 C ATOM 257 N9 DG A 14 38.498 18.896 16.597 1.00 47.11 N ATOM 258 C8 DG A 14 38.655 19.950 15.742 1.00 46.39 C ATOM 259 N7 DG A 14 38.575 19.604 14.485 1.00 43.91 N ATOM 260 C5 DG A 14 38.325 18.242 14.515 1.00 38.97 C ATOM 261 C6 DG A 14 38.138 17.328 13.454 1.00 44.34 C ATOM 262 O6 DG A 14 38.130 17.554 12.232 1.00 49.76 O ATOM 263 N1 DG A 14 37.931 16.034 13.921 1.00 43.30 N ATOM 264 C2 DG A 14 37.887 15.682 15.240 1.00 46.65 C ATOM 265 N2 DG A 14 37.686 14.384 15.491 1.00 53.61 N ATOM 266 N3 DG A 14 38.035 16.534 16.239 1.00 44.55 N ATOM 267 C4 DG A 14 38.258 17.788 15.804 1.00 40.80 C ATOM 268 P DA A 15 39.206 18.924 22.472 1.00 93.51 P ATOM 269 OP1 DA A 15 37.893 18.290 22.753 1.00 95.90 O ATOM 270 OP2 DA A 15 39.463 20.320 22.929 1.00 96.75 O ATOM 271 O5' DA A 15 40.330 17.998 23.100 1.00 91.86 O ATOM 272 C5' DA A 15 41.685 18.135 22.689 1.00 87.74 C ATOM 273 C4' DA A 15 42.249 19.444 23.189 1.00 81.44 C ATOM 274 O4' DA A 15 41.948 19.587 24.601 1.00 75.92 O ATOM 275 C3' DA A 15 43.766 19.516 23.092 1.00 78.33 C ATOM 276 O3' DA A 15 44.171 20.888 23.129 1.00 83.78 O ATOM 277 C2' DA A 15 44.181 18.890 24.407 1.00 69.44 C ATOM 278 C1' DA A 15 43.124 19.426 25.360 1.00 57.78 C ATOM 279 N9 DA A 15 42.842 18.498 26.448 1.00 52.77 N ATOM 280 C8 DA A 15 42.254 17.251 26.398 1.00 53.66 C ATOM 281 N7 DA A 15 42.278 16.608 27.552 1.00 54.20 N ATOM 282 C5 DA A 15 42.899 17.504 28.422 1.00 52.59 C ATOM 283 C6 DA A 15 43.283 17.411 29.782 1.00 52.69 C ATOM 284 N6 DA A 15 43.144 16.309 30.529 1.00 52.23 N ATOM 285 N1 DA A 15 43.861 18.498 30.347 1.00 52.87 N ATOM 286 C2 DA A 15 44.077 19.580 29.583 1.00 57.10 C ATOM 287 N3 DA A 15 43.798 19.775 28.294 1.00 54.34 N ATOM 288 C4 DA A 15 43.207 18.689 27.765 1.00 51.05 C TER 289 DA A 15 ATOM 290 O5' DA B 16 42.688 16.945 2.520 1.00 74.12 O ATOM 291 C5' DA B 16 43.591 16.233 1.668 1.00 75.96 C ATOM 292 C4' DA B 16 44.013 14.919 2.280 1.00 72.82 C ATOM 293 O4' DA B 16 44.880 15.216 3.406 1.00 61.65 O ATOM 294 C3' DA B 16 42.834 14.110 2.828 1.00 74.56 C ATOM 295 O3' DA B 16 42.848 12.725 2.485 1.00 86.25 O ATOM 296 C2' DA B 16 42.937 14.236 4.332 1.00 66.36 C ATOM 297 C1' DA B 16 44.366 14.656 4.608 1.00 53.15 C ATOM 298 N9 DA B 16 44.294 15.729 5.580 1.00 47.99 N ATOM 299 C8 DA B 16 44.065 17.073 5.371 1.00 50.48 C ATOM 300 N7 DA B 16 43.940 17.767 6.481 1.00 44.99 N ATOM 301 C5 DA B 16 44.129 16.816 7.473 1.00 40.12 C ATOM 302 C6 DA B 16 44.145 16.914 8.844 1.00 37.30 C ATOM 303 N6 DA B 16 43.965 18.074 9.491 1.00 36.52 N ATOM 304 N1 DA B 16 44.366 15.781 9.552 1.00 40.16 N ATOM 305 C2 DA B 16 44.586 14.634 8.885 1.00 40.88 C ATOM 306 N3 DA B 16 44.615 14.423 7.571 1.00 35.27 N ATOM 307 C4 DA B 16 44.368 15.565 6.925 1.00 40.72 C ATOM 308 P DT B 17 41.572 11.820 2.875 1.00 95.42 P ATOM 309 OP1 DT B 17 41.734 10.455 2.313 1.00 92.71 O ATOM 310 OP2 DT B 17 40.341 12.605 2.576 1.00 94.32 O ATOM 311 O5' DT B 17 41.670 11.699 4.453 1.00 90.04 O ATOM 312 C5' DT B 17 42.539 10.757 5.037 1.00 83.22 C ATOM 313 C4' DT B 17 41.973 10.310 6.359 1.00 73.46 C ATOM 314 O4' DT B 17 42.191 11.328 7.370 1.00 63.89 O ATOM 315 C3' DT B 17 40.465 10.052 6.323 1.00 68.54 C ATOM 316 O3' DT B 17 40.175 8.907 7.117 1.00 75.52 O ATOM 317 C2' DT B 17 39.892 11.274 7.004 1.00 60.35 C ATOM 318 C1' DT B 17 40.976 11.581 8.024 1.00 54.04 C ATOM 319 N1 DT B 17 40.997 12.959 8.472 1.00 45.68 N ATOM 320 C2 DT B 17 41.202 13.187 9.799 1.00 49.06 C ATOM 321 O2 DT B 17 41.380 12.291 10.603 1.00 53.42 O ATOM 322 N3 DT B 17 41.193 14.500 10.159 1.00 46.92 N ATOM 323 C4 DT B 17 41.008 15.591 9.333 1.00 45.25 C ATOM 324 O4 DT B 17 41.074 16.732 9.793 1.00 52.06 O ATOM 325 C5 DT B 17 40.771 15.273 7.949 1.00 42.76 C ATOM 326 C7 DT B 17 40.504 16.383 6.987 1.00 34.70 C ATOM 327 C6 DT B 17 40.794 13.986 7.587 1.00 42.36 C ATOM 328 P DC B 18 38.719 8.246 7.071 1.00 72.55 P ATOM 329 OP1 DC B 18 38.965 6.794 6.872 1.00 68.47 O ATOM 330 OP2 DC B 18 37.860 8.992 6.108 1.00 71.08 O ATOM 331 O5' DC B 18 38.212 8.438 8.566 1.00 71.70 O ATOM 332 C5' DC B 18 39.048 8.029 9.638 1.00 61.86 C ATOM 333 C4' DC B 18 38.549 8.580 10.953 1.00 59.96 C ATOM 334 O4' DC B 18 38.805 10.016 11.070 1.00 55.81 O ATOM 335 C3' DC B 18 37.056 8.365 11.232 1.00 55.15 C ATOM 336 O3' DC B 18 36.895 7.819 12.565 1.00 52.35 O ATOM 337 C2' DC B 18 36.480 9.774 11.105 1.00 52.69 C ATOM 338 C1' DC B 18 37.642 10.638 11.587 1.00 46.25 C ATOM 339 N1 DC B 18 37.652 12.056 11.195 1.00 39.91 N ATOM 340 C2 DC B 18 37.842 13.003 12.189 1.00 44.62 C ATOM 341 O2 DC B 18 37.988 12.620 13.359 1.00 55.96 O ATOM 342 N3 DC B 18 37.865 14.310 11.872 1.00 37.11 N ATOM 343 C4 DC B 18 37.707 14.687 10.610 1.00 34.36 C ATOM 344 N4 DC B 18 37.757 15.999 10.346 1.00 41.01 N ATOM 345 C5 DC B 18 37.502 13.742 9.562 1.00 34.35 C ATOM 346 C6 DC B 18 37.483 12.445 9.901 1.00 40.08 C ATOM 347 P DT B 19 35.582 6.956 12.947 1.00 53.77 P ATOM 348 OP1 DT B 19 35.990 5.780 13.764 1.00 53.12 O ATOM 349 OP2 DT B 19 34.749 6.748 11.721 1.00 51.20 O ATOM 350 O5' DT B 19 34.835 7.927 13.969 1.00 45.79 O ATOM 351 C5' DT B 19 35.187 9.307 14.021 1.00 45.72 C ATOM 352 C4' DT B 19 34.856 9.907 15.368 1.00 42.82 C ATOM 353 O4' DT B 19 35.233 11.302 15.262 1.00 48.06 O ATOM 354 C3' DT B 19 33.363 9.908 15.685 1.00 54.94 C ATOM 355 O3' DT B 19 33.108 9.776 17.095 1.00 55.60 O ATOM 356 C2' DT B 19 32.873 11.237 15.132 1.00 53.06 C ATOM 357 C1' DT B 19 34.090 12.149 15.192 1.00 45.50 C ATOM 358 N1 DT B 19 34.211 12.965 13.966 1.00 36.74 N ATOM 359 C2 DT B 19 34.266 14.342 14.054 1.00 38.83 C ATOM 360 O2 DT B 19 34.223 14.949 15.114 1.00 49.08 O ATOM 361 N3 DT B 19 34.346 14.989 12.849 1.00 32.21 N ATOM 362 C4 DT B 19 34.342 14.415 11.605 1.00 37.29 C ATOM 363 O4 DT B 19 34.391 15.124 10.607 1.00 41.22 O ATOM 364 C5 DT B 19 34.273 12.978 11.591 1.00 34.33 C ATOM 365 C7 DT B 19 34.234 12.266 10.280 1.00 43.63 C ATOM 366 C6 DT B 19 34.235 12.334 12.754 1.00 33.38 C ATOM 367 P DT B 20 31.596 9.514 17.610 1.00 62.20 P ATOM 368 OP1 DT B 20 31.556 8.416 18.608 1.00 66.36 O ATOM 369 OP2 DT B 20 30.737 9.421 16.397 1.00 64.72 O ATOM 370 O5' DT B 20 31.309 10.856 18.408 1.00 57.03 O ATOM 371 C5' DT B 20 31.978 12.053 18.006 1.00 61.25 C ATOM 372 C4' DT B 20 31.371 13.264 18.676 1.00 62.08 C ATOM 373 O4' DT B 20 31.728 14.386 17.823 1.00 65.90 O ATOM 374 C3' DT B 20 29.844 13.252 18.758 1.00 63.20 C ATOM 375 O3' DT B 20 29.394 13.752 20.033 1.00 68.71 O ATOM 376 C2' DT B 20 29.401 14.081 17.564 1.00 62.61 C ATOM 377 C1' DT B 20 30.590 14.983 17.228 1.00 55.20 C ATOM 378 N1 DT B 20 30.843 15.103 15.757 1.00 46.77 N ATOM 379 C2 DT B 20 31.396 16.251 15.227 1.00 43.73 C ATOM 380 O2 DT B 20 31.825 17.180 15.902 1.00 47.24 O ATOM 381 N3 DT B 20 31.456 16.271 13.855 1.00 39.75 N ATOM 382 C4 DT B 20 31.095 15.278 12.992 1.00 37.26 C ATOM 383 O4 DT B 20 31.227 15.434 11.793 1.00 43.15 O ATOM 384 C5 DT B 20 30.592 14.092 13.602 1.00 35.84 C ATOM 385 C7 DT B 20 30.223 12.935 12.730 1.00 40.37 C ATOM 386 C6 DT B 20 30.482 14.062 14.935 1.00 41.00 C ATOM 387 P DA B 21 27.820 13.686 20.437 1.00 69.78 P ATOM 388 OP1 DA B 21 27.702 13.347 21.884 1.00 62.13 O ATOM 389 OP2 DA B 21 27.063 12.889 19.452 1.00 70.75 O ATOM 390 O5' DA B 21 27.437 15.224 20.318 1.00 65.53 O ATOM 391 C5' DA B 21 28.273 16.187 20.969 1.00 64.73 C ATOM 392 C4' DA B 21 27.898 17.597 20.581 1.00 66.81 C ATOM 393 O4' DA B 21 28.260 17.831 19.202 1.00 65.04 O ATOM 394 C3' DA B 21 26.427 17.989 20.729 1.00 67.18 C ATOM 395 O3' DA B 21 26.353 19.291 21.358 1.00 70.94 O ATOM 396 C2' DA B 21 25.908 17.935 19.295 1.00 62.19 C ATOM 397 C1' DA B 21 27.139 18.198 18.420 1.00 50.75 C ATOM 398 N9 DA B 21 27.198 17.403 17.182 1.00 43.68 N ATOM 399 C8 DA B 21 26.879 16.073 17.074 1.00 35.52 C ATOM 400 N7 DA B 21 27.007 15.598 15.844 1.00 38.62 N ATOM 401 C5 DA B 21 27.452 16.686 15.099 1.00 31.19 C ATOM 402 C6 DA B 21 27.770 16.831 13.715 1.00 35.13 C ATOM 403 N6 DA B 21 27.689 15.824 12.832 1.00 36.68 N ATOM 404 N1 DA B 21 28.175 18.056 13.275 1.00 35.23 N ATOM 405 C2 DA B 21 28.257 19.043 14.175 1.00 37.95 C ATOM 406 N3 DA B 21 27.976 19.023 15.505 1.00 38.87 N ATOM 407 C4 DA B 21 27.574 17.805 15.902 1.00 35.57 C ATOM 408 P DC B 22 24.928 19.917 21.796 1.00 72.00 P ATOM 409 OP1 DC B 22 24.967 20.439 23.187 1.00 73.60 O ATOM 410 OP2 DC B 22 23.872 18.945 21.412 1.00 70.64 O ATOM 411 O5' DC B 22 24.838 21.159 20.814 1.00 68.05 O ATOM 412 C5' DC B 22 25.086 20.943 19.439 1.00 67.99 C ATOM 413 C4' DC B 22 25.462 22.225 18.746 1.00 60.11 C ATOM 414 O4' DC B 22 25.918 21.826 17.437 1.00 64.03 O ATOM 415 C3' DC B 22 24.290 23.174 18.514 1.00 61.44 C ATOM 416 O3' DC B 22 24.771 24.526 18.480 1.00 66.67 O ATOM 417 C2' DC B 22 23.734 22.712 17.177 1.00 58.91 C ATOM 418 C1' DC B 22 24.943 22.120 16.454 1.00 58.90 C ATOM 419 N1 DC B 22 24.693 20.874 15.706 1.00 51.13 N ATOM 420 C2 DC B 22 24.956 20.864 14.327 1.00 52.01 C ATOM 421 O2 DC B 22 25.372 21.908 13.793 1.00 52.29 O ATOM 422 N3 DC B 22 24.758 19.722 13.619 1.00 45.21 N ATOM 423 C4 DC B 22 24.330 18.621 14.238 1.00 43.16 C ATOM 424 N4 DC B 22 24.190 17.514 13.504 1.00 49.72 N ATOM 425 C5 DC B 22 24.038 18.602 15.640 1.00 34.96 C ATOM 426 C6 DC B 22 24.229 19.743 16.331 1.00 41.81 C ATOM 427 P DC B 23 23.774 25.752 18.809 1.00 72.02 P ATOM 428 OP1 DC B 23 24.628 26.944 19.030 1.00 65.85 O ATOM 429 OP2 DC B 23 22.776 25.357 19.840 1.00 68.76 O ATOM 430 O5' DC B 23 22.963 25.950 17.456 1.00 69.84 O ATOM 431 C5' DC B 23 23.613 26.304 16.246 1.00 64.08 C ATOM 432 C4' DC B 23 22.683 26.046 15.087 1.00 68.85 C ATOM 433 O4' DC B 23 22.574 24.618 14.851 1.00 69.65 O ATOM 434 C3' DC B 23 21.254 26.540 15.333 1.00 70.08 C ATOM 435 O3' DC B 23 20.716 27.066 14.125 1.00 64.31 O ATOM 436 C2' DC B 23 20.504 25.268 15.688 1.00 69.42 C ATOM 437 C1' DC B 23 21.202 24.280 14.779 1.00 60.05 C ATOM 438 N1 DC B 23 21.059 22.846 15.080 1.00 50.67 N ATOM 439 C2 DC B 23 21.332 21.947 14.051 1.00 49.20 C ATOM 440 O2 DC B 23 21.661 22.404 12.929 1.00 43.03 O ATOM 441 N3 DC B 23 21.231 20.615 14.288 1.00 49.32 N ATOM 442 C4 DC B 23 20.864 20.180 15.497 1.00 49.10 C ATOM 443 N4 DC B 23 20.789 18.855 15.681 1.00 46.98 N ATOM 444 C5 DC B 23 20.563 21.078 16.566 1.00 48.77 C ATOM 445 C6 DC B 23 20.672 22.393 16.315 1.00 49.73 C ATOM 446 P DA B 24 20.288 28.615 14.049 1.00 61.09 P ATOM 447 OP1 DA B 24 21.546 29.401 14.180 1.00 53.93 O ATOM 448 OP2 DA B 24 19.146 28.870 14.969 1.00 55.22 O ATOM 449 O5' DA B 24 19.803 28.791 12.548 1.00 56.10 O ATOM 450 C5' DA B 24 20.769 28.834 11.507 1.00 60.56 C ATOM 451 C4' DA B 24 20.321 27.985 10.343 1.00 60.41 C ATOM 452 O4' DA B 24 20.221 26.588 10.735 1.00 57.03 O ATOM 453 C3' DA B 24 18.955 28.373 9.786 1.00 58.53 C ATOM 454 O3' DA B 24 19.045 28.357 8.370 1.00 61.30 O ATOM 455 C2' DA B 24 18.023 27.291 10.316 1.00 60.65 C ATOM 456 C1' DA B 24 18.935 26.077 10.419 1.00 51.32 C ATOM 457 N9 DA B 24 18.567 25.104 11.454 1.00 52.32 N ATOM 458 C8 DA B 24 18.115 25.347 12.733 1.00 55.82 C ATOM 459 N7 DA B 24 17.885 24.257 13.433 1.00 52.15 N ATOM 460 C5 DA B 24 18.205 23.227 12.555 1.00 50.54 C ATOM 461 C6 DA B 24 18.173 21.829 12.687 1.00 47.33 C ATOM 462 N6 DA B 24 17.775 21.194 13.795 1.00 50.18 N ATOM 463 N1 DA B 24 18.560 21.093 11.627 1.00 48.93 N ATOM 464 C2 DA B 24 18.947 21.724 10.517 1.00 49.18 C ATOM 465 N3 DA B 24 19.012 23.026 10.266 1.00 51.05 N ATOM 466 C4 DA B 24 18.623 23.733 11.335 1.00 51.45 C ATOM 467 P DA B 25 17.727 28.561 7.485 1.00 65.52 P ATOM 468 OP1 DA B 25 18.260 29.008 6.165 1.00 56.83 O ATOM 469 OP2 DA B 25 16.758 29.404 8.213 1.00 58.21 O ATOM 470 O5' DA B 25 17.134 27.083 7.373 1.00 59.04 O ATOM 471 C5' DA B 25 17.798 26.092 6.590 1.00 56.09 C ATOM 472 C4' DA B 25 16.906 24.886 6.404 1.00 55.15 C ATOM 473 O4' DA B 25 16.839 24.121 7.632 1.00 62.61 O ATOM 474 C3' DA B 25 15.457 25.223 6.048 1.00 58.33 C ATOM 475 O3' DA B 25 14.942 24.223 5.171 1.00 58.67 O ATOM 476 C2' DA B 25 14.744 25.101 7.383 1.00 53.65 C ATOM 477 C1' DA B 25 15.475 23.918 7.969 1.00 49.01 C ATOM 478 N9 DA B 25 15.364 23.776 9.416 1.00 41.21 N ATOM 479 C8 DA B 25 15.148 24.765 10.343 1.00 39.42 C ATOM 480 N7 DA B 25 15.020 24.313 11.578 1.00 48.19 N ATOM 481 C5 DA B 25 15.172 22.934 11.451 1.00 42.47 C ATOM 482 C6 DA B 25 15.139 21.876 12.397 1.00 47.23 C ATOM 483 N6 DA B 25 14.856 22.037 13.687 1.00 53.17 N ATOM 484 N1 DA B 25 15.390 20.631 11.951 1.00 47.44 N ATOM 485 C2 DA B 25 15.605 20.460 10.625 1.00 45.87 C ATOM 486 N3 DA B 25 15.625 21.359 9.643 1.00 39.62 N ATOM 487 C4 DA B 25 15.411 22.593 10.126 1.00 38.40 C ATOM 488 P DA B 26 15.036 24.435 3.582 1.00 57.50 P ATOM 489 OP1 DA B 26 16.432 24.813 3.296 1.00 63.23 O ATOM 490 OP2 DA B 26 13.933 25.319 3.118 1.00 57.47 O ATOM 491 O5' DA B 26 14.782 22.971 3.024 1.00 56.63 O ATOM 492 C5' DA B 26 15.787 21.982 3.135 1.00 56.00 C ATOM 493 C4' DA B 26 15.174 20.649 3.490 1.00 60.74 C ATOM 494 O4' DA B 26 14.838 20.557 4.895 1.00 62.40 O ATOM 495 C3' DA B 26 13.912 20.270 2.728 1.00 53.22 C ATOM 496 O3' DA B 26 14.021 18.889 2.409 1.00 60.39 O ATOM 497 C2' DA B 26 12.809 20.492 3.751 1.00 52.01 C ATOM 498 C1' DA B 26 13.493 20.133 5.059 1.00 45.95 C ATOM 499 N9 DA B 26 12.969 20.839 6.223 1.00 43.73 N ATOM 500 C8 DA B 26 12.658 22.180 6.309 1.00 48.03 C ATOM 501 N7 DA B 26 12.253 22.554 7.501 1.00 46.05 N ATOM 502 C5 DA B 26 12.287 21.383 8.242 1.00 42.53 C ATOM 503 C6 DA B 26 11.989 21.115 9.585 1.00 45.56 C ATOM 504 N6 DA B 26 11.547 22.038 10.434 1.00 45.99 N ATOM 505 N1 DA B 26 12.160 19.848 10.029 1.00 44.15 N ATOM 506 C2 DA B 26 12.583 18.924 9.160 1.00 45.78 C ATOM 507 N3 DA B 26 12.886 19.054 7.868 1.00 44.92 N ATOM 508 C4 DA B 26 12.721 20.321 7.467 1.00 41.07 C ATOM 509 P DA B 27 12.892 18.178 1.528 1.00 67.58 P ATOM 510 OP1 DA B 27 13.619 17.068 0.842 1.00 73.16 O ATOM 511 OP2 DA B 27 12.148 19.183 0.723 1.00 73.04 O ATOM 512 O5' DA B 27 11.933 17.548 2.625 1.00 61.04 O ATOM 513 C5' DA B 27 12.455 16.604 3.551 1.00 64.91 C ATOM 514 C4' DA B 27 11.341 16.048 4.399 1.00 63.60 C ATOM 515 O4' DA B 27 10.950 16.972 5.441 1.00 63.51 O ATOM 516 C3' DA B 27 10.073 15.733 3.610 1.00 67.48 C ATOM 517 O3' DA B 27 9.573 14.494 4.101 1.00 79.35 O ATOM 518 C2' DA B 27 9.157 16.904 3.934 1.00 59.02 C ATOM 519 C1' DA B 27 9.552 17.219 5.368 1.00 53.08 C ATOM 520 N9 DA B 27 9.340 18.587 5.834 1.00 45.24 N ATOM 521 C8 DA B 27 9.355 19.758 5.114 1.00 40.12 C ATOM 522 N7 DA B 27 9.295 20.835 5.862 1.00 42.83 N ATOM 523 C5 DA B 27 9.183 20.336 7.155 1.00 40.67 C ATOM 524 C6 DA B 27 9.098 20.966 8.401 1.00 45.42 C ATOM 525 N6 DA B 27 9.085 22.292 8.554 1.00 57.93 N ATOM 526 N1 DA B 27 9.018 20.179 9.501 1.00 45.82 N ATOM 527 C2 DA B 27 8.997 18.851 9.332 1.00 49.22 C ATOM 528 N3 DA B 27 9.062 18.145 8.211 1.00 48.51 N ATOM 529 C4 DA B 27 9.167 18.956 7.147 1.00 43.86 C ATOM 530 P DA B 28 8.452 13.694 3.284 1.00 88.97 P ATOM 531 OP1 DA B 28 9.019 12.354 2.989 1.00 86.69 O ATOM 532 OP2 DA B 28 7.925 14.538 2.179 1.00 88.42 O ATOM 533 O5' DA B 28 7.342 13.561 4.405 1.00 88.03 O ATOM 534 C5' DA B 28 7.420 14.433 5.513 1.00 88.38 C ATOM 535 C4' DA B 28 6.163 14.373 6.333 1.00 88.00 C ATOM 536 O4' DA B 28 6.228 15.566 7.153 1.00 77.95 O ATOM 537 C3' DA B 28 4.874 14.480 5.507 1.00 86.14 C ATOM 538 O3' DA B 28 3.800 13.770 6.145 1.00 88.64 O ATOM 539 C2' DA B 28 4.594 15.963 5.499 1.00 80.61 C ATOM 540 C1' DA B 28 5.119 16.386 6.862 1.00 72.55 C ATOM 541 N9 DA B 28 5.544 17.776 6.883 1.00 56.43 N ATOM 542 C8 DA B 28 5.824 18.585 5.809 1.00 53.53 C ATOM 543 N7 DA B 28 5.988 19.843 6.132 1.00 57.04 N ATOM 544 C5 DA B 28 5.855 19.848 7.513 1.00 53.36 C ATOM 545 C6 DA B 28 5.901 20.870 8.448 1.00 58.23 C ATOM 546 N6 DA B 28 6.104 22.146 8.122 1.00 61.67 N ATOM 547 N1 DA B 28 5.732 20.541 9.745 1.00 60.19 N ATOM 548 C2 DA B 28 5.537 19.258 10.056 1.00 56.36 C ATOM 549 N3 DA B 28 5.469 18.207 9.263 1.00 49.46 N ATOM 550 C4 DA B 28 5.631 18.574 7.989 1.00 50.40 C ATOM 551 P DC B 29 2.360 13.633 5.414 1.00 83.92 P ATOM 552 OP1 DC B 29 1.982 12.200 5.481 1.00 77.30 O ATOM 553 OP2 DC B 29 2.377 14.323 4.098 1.00 78.30 O ATOM 554 O5' DC B 29 1.375 14.421 6.393 1.00 80.52 O ATOM 555 C5' DC B 29 1.306 14.067 7.776 1.00 78.39 C ATOM 556 C4' DC B 29 0.566 15.124 8.562 1.00 74.93 C ATOM 557 O4' DC B 29 1.332 16.355 8.625 1.00 69.81 O ATOM 558 C3' DC B 29 -0.790 15.502 7.973 1.00 73.59 C ATOM 559 O3' DC B 29 -1.695 15.759 9.051 1.00 82.78 O ATOM 560 C2' DC B 29 -0.480 16.784 7.226 1.00 72.18 C ATOM 561 C1' DC B 29 0.547 17.423 8.140 1.00 67.48 C ATOM 562 N1 DC B 29 1.434 18.405 7.484 1.00 61.94 N ATOM 563 C2 DC B 29 1.796 19.548 8.192 1.00 60.35 C ATOM 564 O2 DC B 29 1.442 19.652 9.383 1.00 59.21 O ATOM 565 N3 DC B 29 2.519 20.510 7.572 1.00 62.48 N ATOM 566 C4 DC B 29 2.880 20.353 6.299 1.00 65.10 C ATOM 567 N4 DC B 29 3.541 21.357 5.706 1.00 63.71 N ATOM 568 C5 DC B 29 2.569 19.174 5.571 1.00 66.18 C ATOM 569 C6 DC B 29 1.857 18.230 6.198 1.00 65.40 C TER 570 DC B 29 ATOM 571 N GLY C 139 6.980 14.113 12.796 1.00 72.69 N ATOM 572 CA GLY C 139 7.123 15.289 11.883 1.00 72.42 C ATOM 573 C GLY C 139 7.855 14.849 10.635 1.00 75.65 C ATOM 574 O GLY C 139 7.243 14.402 9.658 1.00 75.01 O ATOM 575 N ARG C 140 9.179 14.966 10.659 1.00 79.08 N ATOM 576 CA ARG C 140 9.961 14.545 9.508 1.00 76.15 C ATOM 577 C ARG C 140 10.213 13.057 9.615 1.00 73.06 C ATOM 578 O ARG C 140 10.637 12.540 10.657 1.00 72.47 O ATOM 579 CB ARG C 140 11.291 15.280 9.423 1.00 72.14 C ATOM 580 CG ARG C 140 12.102 14.881 8.212 1.00 63.48 C ATOM 581 CD ARG C 140 13.397 15.660 8.147 1.00 68.95 C ATOM 582 NE ARG C 140 14.126 15.321 6.935 1.00 69.08 N ATOM 583 CZ ARG C 140 14.895 16.170 6.274 1.00 66.57 C ATOM 584 NH1 ARG C 140 15.035 17.410 6.721 1.00 65.77 N ATOM 585 NH2 ARG C 140 15.503 15.787 5.157 1.00 65.31 N ATOM 586 N PRO C 141 9.927 12.342 8.531 1.00 67.24 N ATOM 587 CA PRO C 141 10.130 10.906 8.518 1.00 65.30 C ATOM 588 C PRO C 141 11.621 10.665 8.634 1.00 66.31 C ATOM 589 O PRO C 141 12.413 11.477 8.149 1.00 67.54 O ATOM 590 CB PRO C 141 9.571 10.502 7.162 1.00 70.47 C ATOM 591 CG PRO C 141 9.899 11.679 6.309 1.00 69.76 C ATOM 592 CD PRO C 141 9.527 12.835 7.204 1.00 67.01 C ATOM 593 N ARG C 142 11.995 9.581 9.309 1.00 69.66 N ATOM 594 CA ARG C 142 13.393 9.218 9.471 1.00 69.58 C ATOM 595 C ARG C 142 13.958 8.865 8.111 1.00 73.72 C ATOM 596 O ARG C 142 13.230 8.841 7.111 1.00 73.99 O ATOM 597 CB ARG C 142 13.539 8.012 10.396 1.00 55.68 C ATOM 598 CG ARG C 142 13.361 8.353 11.843 1.00 46.08 C ATOM 599 CD ARG C 142 13.488 7.143 12.702 1.00 44.88 C ATOM 600 NE ARG C 142 13.427 7.521 14.109 1.00 55.38 N ATOM 601 CZ ARG C 142 14.354 8.250 14.735 1.00 64.66 C ATOM 602 NH1 ARG C 142 15.431 8.679 14.077 1.00 71.31 N ATOM 603 NH2 ARG C 142 14.197 8.561 16.021 1.00 66.90 N ATOM 604 N ALA C 143 15.258 8.599 8.074 1.00 73.54 N ATOM 605 CA ALA C 143 15.897 8.231 6.827 1.00 79.02 C ATOM 606 C ALA C 143 16.219 6.743 6.863 1.00 80.72 C ATOM 607 O ALA C 143 16.369 6.113 5.821 1.00 82.18 O ATOM 608 CB ALA C 143 17.161 9.058 6.622 1.00 84.32 C ATOM 609 N ILE C 144 16.307 6.187 8.068 1.00 81.73 N ATOM 610 CA ILE C 144 16.601 4.764 8.245 1.00 82.79 C ATOM 611 C ILE C 144 15.723 4.091 9.314 1.00 87.72 C ATOM 612 O ILE C 144 15.826 4.381 10.507 1.00 92.00 O ATOM 613 CB ILE C 144 18.093 4.542 8.612 1.00 79.27 C ATOM 614 CG1 ILE C 144 18.461 5.360 9.855 1.00 80.33 C ATOM 615 CG2 ILE C 144 18.974 4.918 7.440 1.00 76.31 C ATOM 616 CD1 ILE C 144 19.928 5.262 10.257 1.00 78.56 C ATOM 617 N ASN C 145 14.866 3.180 8.874 1.00 86.71 N ATOM 618 CA ASN C 145 13.963 2.451 9.767 1.00 89.57 C ATOM 619 C ASN C 145 14.670 1.357 10.579 1.00 91.72 C ATOM 620 O ASN C 145 15.772 0.930 10.229 1.00 95.94 O ATOM 621 CB ASN C 145 12.855 1.844 8.930 1.00 83.85 C ATOM 622 CG ASN C 145 13.375 1.308 7.629 1.00 81.01 C ATOM 623 OD1 ASN C 145 14.111 0.326 7.607 1.00 81.64 O ATOM 624 ND2 ASN C 145 13.021 1.965 6.531 1.00 80.91 N ATOM 625 N LYS C 146 14.022 0.897 11.650 1.00 90.41 N ATOM 626 CA LYS C 146 14.597 -0.126 12.532 1.00 88.09 C ATOM 627 C LYS C 146 15.190 -1.331 11.813 1.00 85.25 C ATOM 628 O LYS C 146 16.020 -2.049 12.386 1.00 83.53 O ATOM 629 CB LYS C 146 13.555 -0.617 13.550 1.00 91.90 C ATOM 630 N HIS C 147 14.773 -1.554 10.566 1.00 82.02 N ATOM 631 CA HIS C 147 15.275 -2.688 9.787 1.00 82.53 C ATOM 632 C HIS C 147 16.729 -2.459 9.401 1.00 83.52 C ATOM 633 O HIS C 147 17.572 -3.347 9.560 1.00 79.49 O ATOM 634 N GLU C 148 17.003 -1.260 8.889 1.00 87.83 N ATOM 635 CA GLU C 148 18.346 -0.860 8.475 1.00 88.60 C ATOM 636 C GLU C 148 19.175 -0.664 9.727 1.00 85.99 C ATOM 637 O GLU C 148 20.355 -0.998 9.769 1.00 86.05 O ATOM 638 CB GLU C 148 18.286 0.454 7.706 1.00 89.56 C ATOM 639 N GLN C 149 18.550 -0.114 10.756 1.00 84.51 N ATOM 640 CA GLN C 149 19.264 0.103 11.996 1.00 85.80 C ATOM 641 C GLN C 149 19.934 -1.201 12.402 1.00 86.61 C ATOM 642 O GLN C 149 20.832 -1.211 13.235 1.00 91.68 O ATOM 643 N GLU C 150 19.495 -2.300 11.794 1.00 88.46 N ATOM 644 CA GLU C 150 20.072 -3.613 12.062 1.00 87.01 C ATOM 645 C GLU C 150 20.943 -4.065 10.893 1.00 78.06 C ATOM 646 O GLU C 150 22.057 -4.527 11.101 1.00 74.62 O ATOM 647 N GLN C 151 20.445 -3.929 9.670 1.00 73.39 N ATOM 648 CA GLN C 151 21.222 -4.307 8.492 1.00 76.13 C ATOM 649 C GLN C 151 22.505 -3.470 8.386 1.00 81.07 C ATOM 650 O GLN C 151 23.595 -3.997 8.141 1.00 80.76 O ATOM 651 CB GLN C 151 20.382 -4.127 7.225 1.00 74.48 C ATOM 652 CG GLN C 151 21.200 -3.805 5.994 1.00 74.58 C ATOM 653 CD GLN C 151 20.375 -3.815 4.733 1.00 83.94 C ATOM 654 OE1 GLN C 151 19.198 -3.432 4.738 1.00 82.81 O ATOM 655 NE2 GLN C 151 20.991 -4.238 3.631 1.00 86.85 N ATOM 656 N ILE C 152 22.363 -2.158 8.558 1.00 86.57 N ATOM 657 CA ILE C 152 23.493 -1.243 8.504 1.00 83.77 C ATOM 658 C ILE C 152 24.420 -1.524 9.677 1.00 85.02 C ATOM 659 O ILE C 152 25.639 -1.596 9.520 1.00 92.06 O ATOM 660 CB ILE C 152 23.019 0.229 8.563 1.00 77.61 C ATOM 661 CG1 ILE C 152 22.604 0.681 7.160 1.00 78.48 C ATOM 662 CG2 ILE C 152 24.109 1.118 9.145 1.00 70.38 C ATOM 663 CD1 ILE C 152 22.062 2.098 7.090 1.00 82.72 C ATOM 664 N SER C 153 23.841 -1.679 10.858 1.00 79.04 N ATOM 665 CA SER C 153 24.651 -1.959 12.025 1.00 82.40 C ATOM 666 C SER C 153 25.534 -3.163 11.714 1.00 86.13 C ATOM 667 O SER C 153 26.729 -3.175 12.035 1.00 88.50 O ATOM 668 CB SER C 153 23.765 -2.260 13.231 1.00 81.30 C ATOM 669 OG SER C 153 24.551 -2.503 14.383 1.00 79.71 O ATOM 670 N ARG C 154 24.939 -4.169 11.076 1.00 86.00 N ATOM 671 CA ARG C 154 25.659 -5.383 10.714 1.00 85.28 C ATOM 672 C ARG C 154 26.771 -4.988 9.753 1.00 81.30 C ATOM 673 O ARG C 154 27.937 -5.309 9.966 1.00 83.37 O ATOM 674 N LEU C 155 26.405 -4.280 8.695 1.00 73.05 N ATOM 675 CA LEU C 155 27.384 -3.836 7.723 1.00 68.72 C ATOM 676 C LEU C 155 28.577 -3.197 8.402 1.00 68.02 C ATOM 677 O LEU C 155 29.712 -3.550 8.116 1.00 68.14 O ATOM 678 CB LEU C 155 26.756 -2.826 6.777 1.00 64.97 C ATOM 679 CG LEU C 155 25.905 -3.456 5.702 1.00 57.04 C ATOM 680 CD1 LEU C 155 25.378 -2.369 4.771 1.00 62.19 C ATOM 681 CD2 LEU C 155 26.771 -4.439 4.941 1.00 58.55 C ATOM 682 N LEU C 156 28.318 -2.247 9.297 1.00 74.18 N ATOM 683 CA LEU C 156 29.392 -1.554 10.016 1.00 83.15 C ATOM 684 C LEU C 156 30.165 -2.510 10.933 1.00 89.36 C ATOM 685 O LEU C 156 31.362 -2.330 11.158 1.00 89.49 O ATOM 686 CB LEU C 156 28.823 -0.407 10.865 1.00 80.80 C ATOM 687 CG LEU C 156 28.093 0.754 10.188 1.00 74.94 C ATOM 688 CD1 LEU C 156 27.487 1.676 11.253 1.00 63.75 C ATOM 689 CD2 LEU C 156 29.063 1.504 9.307 1.00 71.72 C ATOM 690 N GLU C 157 29.471 -3.516 11.463 1.00 95.15 N ATOM 691 CA GLU C 157 30.082 -4.496 12.360 1.00100.81 C ATOM 692 C GLU C 157 31.059 -5.377 11.572 1.00102.40 C ATOM 693 O GLU C 157 31.945 -6.013 12.147 1.00105.93 O ATOM 694 N LYS C 158 30.881 -5.404 10.251 1.00 99.76 N ATOM 695 CA LYS C 158 31.740 -6.160 9.342 1.00 92.52 C ATOM 696 C LYS C 158 32.822 -5.208 8.837 1.00 90.87 C ATOM 697 O LYS C 158 33.511 -5.488 7.856 1.00 88.63 O ATOM 698 CB LYS C 158 30.947 -6.662 8.134 1.00 90.80 C ATOM 699 N GLY C 159 32.953 -4.071 9.511 1.00 88.68 N ATOM 700 CA GLY C 159 33.936 -3.085 9.116 1.00 82.26 C ATOM 701 C GLY C 159 33.522 -2.397 7.833 1.00 78.71 C ATOM 702 O GLY C 159 34.109 -2.608 6.776 1.00 75.33 O ATOM 703 N HIS C 160 32.482 -1.585 7.911 1.00 78.51 N ATOM 704 CA HIS C 160 32.031 -0.863 6.736 1.00 80.99 C ATOM 705 C HIS C 160 32.143 0.624 7.015 1.00 83.93 C ATOM 706 O HIS C 160 31.830 1.084 8.117 1.00 89.04 O ATOM 707 CB HIS C 160 30.595 -1.259 6.377 1.00 81.67 C ATOM 708 CG HIS C 160 30.517 -2.420 5.433 1.00 85.79 C ATOM 709 ND1 HIS C 160 30.989 -2.355 4.140 1.00 88.52 N ATOM 710 CD2 HIS C 160 30.048 -3.680 5.598 1.00 85.37 C ATOM 711 CE1 HIS C 160 30.815 -3.524 3.549 1.00 87.37 C ATOM 712 NE2 HIS C 160 30.246 -4.346 4.413 1.00 90.51 N ATOM 713 N PRO C 161 32.628 1.391 6.027 1.00 80.33 N ATOM 714 CA PRO C 161 32.800 2.840 6.146 1.00 76.38 C ATOM 715 C PRO C 161 31.498 3.622 6.108 1.00 71.33 C ATOM 716 O PRO C 161 30.782 3.610 5.099 1.00 70.91 O ATOM 717 CB PRO C 161 33.709 3.173 4.964 1.00 77.79 C ATOM 718 CG PRO C 161 33.260 2.197 3.928 1.00 74.88 C ATOM 719 CD PRO C 161 33.142 0.912 4.731 1.00 81.18 C ATOM 720 N ARG C 162 31.205 4.308 7.208 1.00 65.74 N ATOM 721 CA ARG C 162 29.997 5.105 7.293 1.00 67.14 C ATOM 722 C ARG C 162 29.918 6.063 6.112 1.00 71.73 C ATOM 723 O ARG C 162 28.866 6.235 5.496 1.00 71.95 O ATOM 724 CB ARG C 162 29.987 5.894 8.581 1.00 60.03 C ATOM 725 CG ARG C 162 30.064 5.055 9.835 1.00 50.08 C ATOM 726 CD ARG C 162 29.486 5.873 10.988 1.00 56.77 C ATOM 727 NE ARG C 162 29.793 5.356 12.318 1.00 55.24 N ATOM 728 CZ ARG C 162 30.964 4.830 12.673 1.00 58.94 C ATOM 729 NH1 ARG C 162 31.154 4.405 13.928 1.00 57.05 N ATOM 730 NH2 ARG C 162 31.934 4.686 11.763 1.00 56.29 N ATOM 731 N GLN C 163 31.046 6.674 5.789 1.00 71.67 N ATOM 732 CA GLN C 163 31.103 7.616 4.685 1.00 76.39 C ATOM 733 C GLN C 163 30.633 6.993 3.367 1.00 74.43 C ATOM 734 O GLN C 163 30.095 7.672 2.498 1.00 71.90 O ATOM 735 CB GLN C 163 32.532 8.161 4.547 1.00 84.36 C ATOM 736 N GLN C 164 30.829 5.691 3.222 1.00 77.70 N ATOM 737 CA GLN C 164 30.439 5.005 1.994 1.00 79.95 C ATOM 738 C GLN C 164 29.052 4.453 2.208 1.00 76.66 C ATOM 739 O GLN C 164 28.205 4.454 1.301 1.00 68.66 O ATOM 740 N LEU C 165 28.844 3.989 3.438 1.00 76.10 N ATOM 741 CA LEU C 165 27.577 3.419 3.852 1.00 79.38 C ATOM 742 C LEU C 165 26.490 4.471 3.730 1.00 84.70 C ATOM 743 O LEU C 165 25.310 4.168 3.871 1.00 89.80 O ATOM 744 CB LEU C 165 27.673 2.923 5.298 1.00 71.25 C ATOM 745 CG LEU C 165 26.768 1.729 5.624 1.00 71.03 C ATOM 746 CD1 LEU C 165 27.060 0.608 4.636 1.00 70.28 C ATOM 747 CD2 LEU C 165 26.993 1.254 7.039 1.00 66.11 C ATOM 748 N ALA C 166 26.900 5.706 3.455 1.00 84.80 N ATOM 749 CA ALA C 166 25.972 6.819 3.315 1.00 78.81 C ATOM 750 C ALA C 166 25.759 7.171 1.852 1.00 79.19 C ATOM 751 O ALA C 166 24.625 7.271 1.401 1.00 83.96 O ATOM 752 CB ALA C 166 26.496 8.020 4.061 1.00 73.80 C ATOM 753 N ILE C 167 26.845 7.373 1.115 1.00 80.26 N ATOM 754 CA ILE C 167 26.735 7.707 -0.299 1.00 84.04 C ATOM 755 C ILE C 167 25.680 6.794 -0.902 1.00 86.13 C ATOM 756 O ILE C 167 24.640 7.239 -1.387 1.00 82.13 O ATOM 757 CB ILE C 167 28.050 7.431 -1.068 1.00 86.10 C ATOM 758 CG1 ILE C 167 29.233 8.102 -0.363 1.00 88.18 C ATOM 759 CG2 ILE C 167 27.919 7.922 -2.513 1.00 81.96 C ATOM 760 CD1 ILE C 167 30.573 7.867 -1.051 1.00 81.97 C ATOM 761 N ILE C 168 25.975 5.501 -0.832 1.00 89.92 N ATOM 762 CA ILE C 168 25.132 4.442 -1.368 1.00 89.42 C ATOM 763 C ILE C 168 23.683 4.489 -0.892 1.00 87.82 C ATOM 764 O ILE C 168 22.762 4.657 -1.700 1.00 88.04 O ATOM 765 CB ILE C 168 25.747 3.073 -1.029 1.00 87.79 C ATOM 766 CG1 ILE C 168 27.195 3.028 -1.530 1.00 87.67 C ATOM 767 CG2 ILE C 168 24.953 1.972 -1.689 1.00 85.10 C ATOM 768 CD1 ILE C 168 28.004 1.864 -1.012 1.00 89.04 C ATOM 769 N PHE C 169 23.477 4.329 0.411 1.00 82.83 N ATOM 770 CA PHE C 169 22.131 4.371 0.955 1.00 83.07 C ATOM 771 C PHE C 169 21.388 5.619 0.495 1.00 87.64 C ATOM 772 O PHE C 169 20.353 5.531 -0.175 1.00 92.38 O ATOM 773 CB PHE C 169 22.178 4.324 2.474 1.00 83.12 C ATOM 774 CG PHE C 169 22.133 2.933 3.025 1.00 92.04 C ATOM 775 CD1 PHE C 169 23.176 2.046 2.793 1.00 94.05 C ATOM 776 CD2 PHE C 169 21.024 2.494 3.742 1.00 97.12 C ATOM 777 CE1 PHE C 169 23.115 0.739 3.264 1.00 96.92 C ATOM 778 CE2 PHE C 169 20.950 1.189 4.218 1.00 98.08 C ATOM 779 CZ PHE C 169 21.998 0.308 3.979 1.00 99.08 C ATOM 780 N GLY C 170 21.923 6.782 0.850 1.00 87.10 N ATOM 781 CA GLY C 170 21.300 8.033 0.453 1.00 81.90 C ATOM 782 C GLY C 170 21.332 9.068 1.560 1.00 75.40 C ATOM 783 O GLY C 170 21.189 10.254 1.308 1.00 71.71 O ATOM 784 N ILE C 171 21.532 8.605 2.788 1.00 72.74 N ATOM 785 CA ILE C 171 21.575 9.482 3.943 1.00 69.60 C ATOM 786 C ILE C 171 22.954 10.134 4.124 1.00 73.87 C ATOM 787 O ILE C 171 23.963 9.668 3.582 1.00 73.94 O ATOM 788 CB ILE C 171 21.197 8.713 5.232 1.00 59.94 C ATOM 789 CG1 ILE C 171 22.310 7.776 5.647 1.00 53.00 C ATOM 790 CG2 ILE C 171 19.999 7.840 4.989 1.00 57.28 C ATOM 791 CD1 ILE C 171 22.037 7.126 6.995 1.00 62.49 C ATOM 792 N GLY C 172 22.980 11.225 4.886 1.00 72.93 N ATOM 793 CA GLY C 172 24.218 11.940 5.133 1.00 66.20 C ATOM 794 C GLY C 172 25.034 11.298 6.231 1.00 57.93 C ATOM 795 O GLY C 172 24.492 10.588 7.088 1.00 56.27 O ATOM 796 N VAL C 173 26.338 11.561 6.205 1.00 50.19 N ATOM 797 CA VAL C 173 27.274 11.007 7.179 1.00 41.46 C ATOM 798 C VAL C 173 26.926 11.372 8.625 1.00 42.23 C ATOM 799 O VAL C 173 27.079 10.542 9.526 1.00 44.69 O ATOM 800 CB VAL C 173 28.714 11.495 6.869 1.00 40.93 C ATOM 801 CG1 VAL C 173 29.698 10.904 7.854 1.00 47.00 C ATOM 802 CG2 VAL C 173 29.094 11.105 5.461 1.00 32.12 C ATOM 803 N SER C 174 26.456 12.592 8.872 1.00 38.41 N ATOM 804 CA SER C 174 26.138 12.947 10.263 1.00 40.91 C ATOM 805 C SER C 174 25.022 12.106 10.824 1.00 45.40 C ATOM 806 O SER C 174 25.027 11.780 12.017 1.00 48.94 O ATOM 807 CB SER C 174 25.734 14.429 10.416 1.00 39.38 C ATOM 808 OG SER C 174 25.367 15.015 9.180 1.00 54.84 O ATOM 809 N THR C 175 24.049 11.781 9.970 1.00 49.69 N ATOM 810 CA THR C 175 22.913 10.977 10.396 1.00 52.33 C ATOM 811 C THR C 175 23.496 9.662 10.853 1.00 55.31 C ATOM 812 O THR C 175 23.318 9.277 12.007 1.00 57.04 O ATOM 813 CB THR C 175 21.885 10.741 9.245 1.00 58.37 C ATOM 814 OG1 THR C 175 21.439 12.004 8.715 1.00 52.72 O ATOM 815 CG2 THR C 175 20.662 9.953 9.763 1.00 57.66 C ATOM 816 N LEU C 176 24.239 8.999 9.966 1.00 59.27 N ATOM 817 CA LEU C 176 24.877 7.714 10.318 1.00 57.81 C ATOM 818 C LEU C 176 25.710 7.747 11.608 1.00 59.90 C ATOM 819 O LEU C 176 25.527 6.892 12.469 1.00 70.00 O ATOM 820 CB LEU C 176 25.741 7.192 9.168 1.00 58.10 C ATOM 821 CG LEU C 176 25.022 6.537 7.981 1.00 63.17 C ATOM 822 CD1 LEU C 176 25.971 6.380 6.804 1.00 71.13 C ATOM 823 CD2 LEU C 176 24.484 5.177 8.390 1.00 61.16 C ATOM 824 N TYR C 177 26.611 8.709 11.774 1.00 55.21 N ATOM 825 CA TYR C 177 27.396 8.738 13.022 1.00 50.79 C ATOM 826 C TYR C 177 26.496 8.929 14.238 1.00 49.76 C ATOM 827 O TYR C 177 26.830 8.518 15.345 1.00 52.59 O ATOM 828 CB TYR C 177 28.445 9.861 12.991 1.00 44.38 C ATOM 829 CG TYR C 177 29.702 9.501 12.239 1.00 44.26 C ATOM 830 CD1 TYR C 177 30.595 8.571 12.747 1.00 35.69 C ATOM 831 CD2 TYR C 177 30.002 10.100 11.024 1.00 46.67 C ATOM 832 CE1 TYR C 177 31.758 8.251 12.059 1.00 47.70 C ATOM 833 CE2 TYR C 177 31.155 9.796 10.331 1.00 40.59 C ATOM 834 CZ TYR C 177 32.033 8.872 10.845 1.00 49.71 C ATOM 835 OH TYR C 177 33.180 8.576 10.144 1.00 53.08 O ATOM 836 N ARG C 178 25.352 9.569 14.022 1.00 55.09 N ATOM 837 CA ARG C 178 24.395 9.843 15.096 1.00 61.49 C ATOM 838 C ARG C 178 23.731 8.539 15.558 1.00 66.61 C ATOM 839 O ARG C 178 23.598 8.296 16.758 1.00 70.27 O ATOM 840 CB ARG C 178 23.358 10.870 14.601 1.00 63.34 C ATOM 841 CG ARG C 178 22.287 11.299 15.600 1.00 54.39 C ATOM 842 CD ARG C 178 21.861 12.748 15.337 1.00 58.11 C ATOM 843 NE ARG C 178 21.719 13.042 13.910 1.00 59.83 N ATOM 844 CZ ARG C 178 20.629 12.774 13.200 1.00 55.92 C ATOM 845 NH1 ARG C 178 20.581 13.060 11.905 1.00 46.65 N ATOM 846 NH2 ARG C 178 19.578 12.231 13.794 1.00 66.69 N ATOM 847 N TYR C 179 23.324 7.702 14.606 1.00 70.02 N ATOM 848 CA TYR C 179 22.719 6.412 14.930 1.00 71.06 C ATOM 849 C TYR C 179 23.803 5.397 15.386 1.00 69.99 C ATOM 850 O TYR C 179 23.562 4.554 16.246 1.00 70.72 O ATOM 851 CB TYR C 179 21.994 5.835 13.708 1.00 71.11 C ATOM 852 CG TYR C 179 20.639 6.436 13.353 1.00 67.71 C ATOM 853 CD1 TYR C 179 20.539 7.602 12.587 1.00 71.49 C ATOM 854 CD2 TYR C 179 19.464 5.763 13.671 1.00 67.67 C ATOM 855 CE1 TYR C 179 19.309 8.065 12.133 1.00 71.74 C ATOM 856 CE2 TYR C 179 18.234 6.215 13.225 1.00 71.70 C ATOM 857 CZ TYR C 179 18.160 7.362 12.449 1.00 72.82 C ATOM 858 OH TYR C 179 16.939 7.758 11.950 1.00 68.80 O ATOM 859 N PHE C 180 25.001 5.494 14.818 1.00 68.25 N ATOM 860 CA PHE C 180 26.064 4.573 15.171 1.00 64.83 C ATOM 861 C PHE C 180 27.344 5.233 15.656 1.00 63.50 C ATOM 862 O PHE C 180 28.342 5.285 14.936 1.00 58.12 O ATOM 863 CB PHE C 180 26.351 3.685 13.977 1.00 66.09 C ATOM 864 CG PHE C 180 25.122 3.071 13.407 1.00 67.89 C ATOM 865 CD1 PHE C 180 24.641 3.463 12.161 1.00 69.25 C ATOM 866 CD2 PHE C 180 24.402 2.135 14.144 1.00 59.34 C ATOM 867 CE1 PHE C 180 23.458 2.931 11.661 1.00 69.16 C ATOM 868 CE2 PHE C 180 23.230 1.606 13.653 1.00 60.10 C ATOM 869 CZ PHE C 180 22.752 2.000 12.411 1.00 64.97 C ATOM 870 N PRO C 181 27.333 5.731 16.902 1.00 61.85 N ATOM 871 CA PRO C 181 28.514 6.383 17.460 1.00 64.86 C ATOM 872 C PRO C 181 29.744 5.530 17.191 1.00 76.44 C ATOM 873 O PRO C 181 29.636 4.309 17.031 1.00 73.71 O ATOM 874 CB PRO C 181 28.193 6.464 18.948 1.00 58.40 C ATOM 875 CG PRO C 181 26.720 6.599 18.962 1.00 53.71 C ATOM 876 CD PRO C 181 26.267 5.615 17.911 1.00 58.93 C ATOM 877 N ALA C 182 30.910 6.169 17.131 1.00 83.01 N ATOM 878 CA ALA C 182 32.150 5.436 16.898 1.00 85.32 C ATOM 879 C ALA C 182 32.436 4.690 18.187 1.00 85.97 C ATOM 880 O ALA C 182 33.395 3.926 18.288 1.00 91.57 O ATOM 881 CB ALA C 182 33.283 6.390 16.571 1.00 85.46 C ATOM 882 N SER C 183 31.589 4.937 19.177 1.00 84.95 N ATOM 883 CA SER C 183 31.692 4.274 20.467 1.00 88.52 C ATOM 884 C SER C 183 30.715 3.098 20.416 1.00 90.88 C ATOM 885 O SER C 183 30.098 2.749 21.428 1.00 91.00 O ATOM 886 CB SER C 183 31.299 5.234 21.603 1.00 89.90 C ATOM 887 OG SER C 183 32.181 6.343 21.686 1.00 83.78 O ATOM 888 N SER C 184 30.578 2.508 19.223 1.00 91.31 N ATOM 889 CA SER C 184 29.683 1.371 18.980 1.00 89.86 C ATOM 890 C SER C 184 30.437 0.163 18.407 1.00 85.83 C ATOM 891 O SER C 184 30.186 -0.187 17.225 1.00 81.68 O ATOM 892 CB SER C 184 28.566 1.777 18.003 1.00 94.57 C ATOM 893 OG SER C 184 27.837 2.902 18.472 1.00 97.92 O TER 894 SER C 184 HETATM 895 C TRS A 204 21.057 22.339 5.492 1.00 60.94 C HETATM 896 C1 TRS A 204 21.637 22.833 4.156 1.00 53.70 C HETATM 897 C2 TRS A 204 21.699 21.136 5.796 1.00 59.18 C HETATM 898 C3 TRS A 204 19.530 22.273 5.296 1.00 67.62 C HETATM 899 N TRS A 204 21.354 23.313 6.563 1.00 45.41 N HETATM 900 O1 TRS A 204 21.392 21.968 3.132 1.00 68.86 O HETATM 901 O2 TRS A 204 20.991 20.171 6.483 1.00 67.07 O HETATM 902 O3 TRS A 204 18.782 21.856 6.411 1.00 78.93 O HETATM 903 O HOH A 202 8.598 27.348 14.795 1.00 74.95 O HETATM 904 O HOH A 203 17.060 11.056 1.601 1.00 65.84 O HETATM 905 O HOH A 206 7.073 30.601 12.353 1.00 56.85 O HETATM 906 O HOH A 207 7.368 26.017 8.629 1.00 49.10 O HETATM 907 O HOH A 209 37.008 22.138 9.590 1.00 80.94 O HETATM 908 O HOH A 210 30.303 23.576 15.748 1.00 55.97 O HETATM 909 O HOH B 201 25.368 28.866 13.096 1.00 70.15 O HETATM 910 O HOH B 208 2.014 10.270 10.985 1.00 55.48 O HETATM 911 O HOH B 211 5.576 12.987 -0.928 1.00 83.98 O HETATM 912 O HOH C 205 26.425 13.194 14.066 1.00 46.91 O HETATM 913 O HOH C 212 18.816 -9.507 17.115 1.00 58.21 O HETATM 914 O HOH C 213 9.851 1.637 11.548 1.00 51.80 O HETATM 915 O HOH C 214 16.444 3.922 17.672 1.00 83.20 O CONECT 895 896 897 898 899 CONECT 896 895 900 CONECT 897 895 901 CONECT 898 895 902 CONECT 899 895 CONECT 900 896 CONECT 901 897 CONECT 902 898 MASTER 355 0 1 3 0 0 1 6 912 3 8 8 END
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Entry Information
PDB ID
1jko
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-INVERTASE HIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
2.24(Å)
Affinity (Kd/Ki/IC50)
Kd=7.6nM
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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