Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 13-JUL-01 1JKP TITLE TESTING THE WATER-MEDIATED HIN RECOMBINASE DNA RECOGNITION TITLE 2 BY SYSTEMATIC MUTATIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*GP*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*CP*TP*CP*AP*AP*AP*AP*AP*C)- COMPND 8 3'; COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: DNA-INVERTASE HIN; COMPND 13 CHAIN: C; COMPND 14 FRAGMENT: RESIDUES 139 TO 190; COMPND 15 SYNONYM: HIN RECOMBINASE; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS WATER-MEDIATED RECOGNITION, PROTEIN-DNA COMPLEX, HIN KEYWDS 2 RECOMBINASE, T11G 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 1JKP 1 VERSN REVDAT 1 22-FEB-02 1JKP 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. 2.80 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) : 2.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.70 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) (%) : 91.2 REMARK 3 NUMBER OF REFLECTIONS : 3774 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) : 0.248 REMARK 3 FREE R VALUE : 0.328 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.720 REMARK 3 FREE R VALUE TEST SET COUNT : 402 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) : 2.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.93 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.37 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 338 REMARK 3 BIN R VALUE (WORKING SET) : 0.4163 REMARK 3 BIN FREE R VALUE : 0.5012 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.35 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 53 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 : 379 REMARK 3 NUCLEIC ACID ATOMS : 576 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 4 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 43.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 12.54000 REMARK 3 B22 (A**2) : 12.18400 REMARK 3 B33 (A**2) : -24.72400 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) : 0.42 REMARK 3 ESD FROM SIGMAA (A) : 0.62 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) : 0.60 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.71 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.36 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.09 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.60 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) : 6.930 ; 4.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 10.270; 6.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 10.700; 6.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 15.190; 7.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.20 REMARK 3 BSOL : 50.00 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : 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 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JKP 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 RCSB013883. 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 : 3774 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 REMARK 200 RESOLUTION RANGE LOW (A) : 42.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 REMARK 200 DATA REDUNDANCY : 13.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07700 REMARK 200
FOR THE DATA SET : 16.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.93 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.21800 REMARK 200
FOR SHELL : 4.060 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 (%): 53.11 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP VAPOR DIFFUSION AT 4C, REMARK 280 WITH INITIAL CONCENTRATION IN DROP OF 0.10 MM DNA, 0.06 MM REMARK 280 HIN, 10 MM TRIS (PH 8.5), 5 MM CACL2, 23 MM NACL, 2.5% V/V REMARK 280 PEG400, AND 1.56 MM NA CACODYLATE. RESERVOIR SOLUTION CONTAINS REMARK 280 100 MM TRIS (PH 8.5), 50 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 22.69500 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 22.69500 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 42.68100 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.77150 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.68100 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.77150 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 22.69500 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.68100 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 40.77150 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 22.69500 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.68100 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 40.77150 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LYS C 186 REMARK 465 LYS C 187 REMARK 465 ARG C 188 REMARK 465 MET C 189 REMARK 465 ASN C 190 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU C 157 CG CD OE1 OE2 REMARK 470 GLN C 164 CG CD OE1 NE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA B 16 C5' - C4' - C3' ANGL. DEV. = 11.8 DEGREES REMARK 500 ARG C 178 CB - CA - C ANGL. DEV. = -17.2 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 PHE C 169 9.66 -68.33 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 0.09 SIDE_CHAIN REMARK 500 DA B 28 0.09 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: 1JKQ RELATED DB: PDB REMARK 900 FORM1 G9T MUTANT REMARK 900 RELATED ID: 1JKR RELATED DB: PDB REMARK 900 FORM1 T11C MUTANT DBREF 1JKP C 139 190 UNP P03013 HIN_SALTY 139 190 DBREF 1JKP A 2 15 PDB 1JKP 1JKP 2 15 DBREF 1JKP B 16 29 PDB 1JKP 1JKP 16 29 SEQRES 1 A 14 DT DG DT DT DT DT DT DG DA DG DA DA DG SEQRES 2 A 14 DA SEQRES 1 B 14 DA DT DC DT DT DC DT DC DA DA DA DA DA SEQRES 2 B 14 DC SEQRES 1 C 52 GLY ARG PRO ARG ALA ILE ASN LYS HIS GLU GLN GLU GLN SEQRES 2 C 52 ILE SER ARG LEU LEU GLU LYS GLY HIS PRO ARG GLN GLN SEQRES 3 C 52 LEU ALA ILE ILE PHE GLY ILE GLY VAL SER THR LEU TYR SEQRES 4 C 52 ARG TYR PHE PRO ALA SER SER ILE LYS LYS ARG MET ASN FORMUL 4 HOH *4(H2 O) HELIX 1 1 ASN C 145 LYS C 158 1 14 HELIX 2 2 PRO C 161 PHE C 169 1 9 HELIX 3 3 GLY C 172 PHE C 180 1 9 CRYST1 85.362 81.543 45.390 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 0.011715 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012263 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022031 0.00000 ATOM 1 O5' DT A 2 -0.152 34.009 5.456 1.00 86.79 O ATOM 2 C5' DT A 2 1.000 33.683 6.236 1.00 93.55 C ATOM 3 C4' DT A 2 0.773 32.607 7.275 1.00 93.97 C ATOM 4 O4' DT A 2 0.564 31.333 6.609 1.00 93.67 O ATOM 5 C3' DT A 2 1.976 32.396 8.203 1.00 94.88 C ATOM 6 O3' DT A 2 1.563 32.045 9.529 1.00 94.94 O ATOM 7 C2' DT A 2 2.672 31.199 7.593 1.00 94.94 C ATOM 8 C1' DT A 2 1.478 30.385 7.146 1.00 94.84 C ATOM 9 N1 DT A 2 1.791 29.367 6.120 1.00 91.41 N ATOM 10 C2 DT A 2 1.306 28.097 6.318 1.00 82.84 C ATOM 11 O2 DT A 2 0.583 27.800 7.253 1.00 80.44 O ATOM 12 N3 DT A 2 1.692 27.182 5.374 1.00 79.13 N ATOM 13 C4 DT A 2 2.482 27.407 4.263 1.00 83.76 C ATOM 14 O4 DT A 2 2.755 26.472 3.506 1.00 82.89 O ATOM 15 C5 DT A 2 2.928 28.776 4.094 1.00 87.28 C ATOM 16 C7 DT A 2 3.764 29.128 2.902 1.00 88.97 C ATOM 17 C6 DT A 2 2.566 29.674 5.020 1.00 90.56 C ATOM 18 P DG A 3 2.677 31.841 10.687 1.00 95.00 P ATOM 19 OP1 DG A 3 2.541 32.996 11.620 1.00 95.00 O ATOM 20 OP2 DG A 3 4.007 31.536 10.075 1.00 94.84 O ATOM 21 O5' DG A 3 2.201 30.542 11.476 1.00 81.47 O ATOM 22 C5' DG A 3 1.209 30.621 12.494 1.00 69.41 C ATOM 23 C4' DG A 3 1.346 29.430 13.403 1.00 62.09 C ATOM 24 O4' DG A 3 1.207 28.252 12.570 1.00 58.64 O ATOM 25 C3' DG A 3 2.749 29.349 14.001 1.00 59.32 C ATOM 26 O3' DG A 3 2.745 28.685 15.267 1.00 55.14 O ATOM 27 C2' DG A 3 3.491 28.496 12.999 1.00 58.28 C ATOM 28 C1' DG A 3 2.415 27.511 12.590 1.00 48.78 C ATOM 29 N9 DG A 3 2.649 26.961 11.261 1.00 39.42 N ATOM 30 C8 DG A 3 3.060 27.649 10.145 1.00 39.34 C ATOM 31 N7 DG A 3 3.299 26.876 9.121 1.00 35.43 N ATOM 32 C5 DG A 3 3.004 25.602 9.579 1.00 41.75 C ATOM 33 C6 DG A 3 3.089 24.358 8.918 1.00 50.44 C ATOM 34 O6 DG A 3 3.484 24.129 7.763 1.00 55.31 O ATOM 35 N1 DG A 3 2.670 23.310 9.743 1.00 55.62 N ATOM 36 C2 DG A 3 2.234 23.451 11.046 1.00 56.13 C ATOM 37 N2 DG A 3 1.869 22.322 11.675 1.00 54.15 N ATOM 38 N3 DG A 3 2.166 24.615 11.681 1.00 49.52 N ATOM 39 C4 DG A 3 2.567 25.640 10.891 1.00 43.36 C ATOM 40 P DT A 4 4.131 28.473 16.047 1.00 68.53 P ATOM 41 OP1 DT A 4 4.070 29.322 17.252 1.00 66.79 O ATOM 42 OP2 DT A 4 5.268 28.621 15.104 1.00 68.10 O ATOM 43 O5' DT A 4 4.075 26.959 16.511 1.00 66.36 O ATOM 44 C5' DT A 4 2.932 26.469 17.180 1.00 56.71 C ATOM 45 C4' DT A 4 3.050 24.978 17.354 1.00 48.88 C ATOM 46 O4' DT A 4 3.121 24.362 16.047 1.00 46.87 O ATOM 47 C3' DT A 4 4.313 24.548 18.090 1.00 48.53 C ATOM 48 O3' DT A 4 3.988 23.437 18.911 1.00 57.20 O ATOM 49 C2' DT A 4 5.262 24.144 16.978 1.00 33.72 C ATOM 50 C1' DT A 4 4.313 23.606 15.915 1.00 25.74 C ATOM 51 N1 DT A 4 4.787 23.782 14.528 1.00 28.18 N ATOM 52 C2 DT A 4 4.851 22.678 13.689 1.00 34.57 C ATOM 53 O2 DT A 4 4.557 21.544 14.044 1.00 45.08 O ATOM 54 N3 DT A 4 5.280 22.956 12.407 1.00 28.48 N ATOM 55 C4 DT A 4 5.654 24.204 11.898 1.00 43.14 C ATOM 56 O4 DT A 4 6.015 24.325 10.710 1.00 41.79 O ATOM 57 C5 DT A 4 5.577 25.299 12.843 1.00 40.98 C ATOM 58 C7 DT A 4 5.974 26.663 12.387 1.00 35.04 C ATOM 59 C6 DT A 4 5.151 25.040 14.089 1.00 32.59 C ATOM 60 P DT A 5 5.157 22.579 19.570 1.00 68.04 P ATOM 61 OP1 DT A 5 4.595 21.844 20.739 1.00 27.88 O ATOM 62 OP2 DT A 5 6.312 23.498 19.737 1.00 76.41 O ATOM 63 O5' DT A 5 5.480 21.493 18.460 1.00 59.07 O ATOM 64 C5' DT A 5 4.530 20.469 18.187 1.00 53.51 C ATOM 65 C4' DT A 5 5.218 19.271 17.582 1.00 54.23 C ATOM 66 O4' DT A 5 5.640 19.558 16.230 1.00 49.27 O ATOM 67 C3' DT A 5 6.470 18.846 18.334 1.00 41.38 C ATOM 68 O3' DT A 5 6.519 17.436 18.363 1.00 48.00 O ATOM 69 C2' DT A 5 7.603 19.409 17.497 1.00 40.28 C ATOM 70 C1' DT A 5 7.033 19.363 16.093 1.00 27.33 C ATOM 71 N1 DT A 5 7.538 20.413 15.184 1.00 40.41 N ATOM 72 C2 DT A 5 7.648 20.092 13.848 1.00 44.16 C ATOM 73 O2 DT A 5 7.300 19.016 13.399 1.00 49.30 O ATOM 74 N3 DT A 5 8.165 21.089 13.052 1.00 39.94 N ATOM 75 C4 DT A 5 8.549 22.359 13.448 1.00 38.22 C ATOM 76 O4 DT A 5 8.986 23.160 12.618 1.00 38.47 O ATOM 77 C5 DT A 5 8.387 22.638 14.860 1.00 33.70 C ATOM 78 C7 DT A 5 8.774 23.991 15.372 1.00 39.50 C ATOM 79 C6 DT A 5 7.895 21.663 15.650 1.00 41.89 C ATOM 80 P DT A 6 7.570 16.707 19.315 1.00 64.71 P ATOM 81 OP1 DT A 6 6.824 15.880 20.296 1.00 49.91 O ATOM 82 OP2 DT A 6 8.569 17.699 19.791 1.00 73.20 O ATOM 83 O5' DT A 6 8.276 15.740 18.285 1.00 63.83 O ATOM 84 C5' DT A 6 7.574 15.311 17.125 1.00 63.85 C ATOM 85 C4' DT A 6 8.563 14.854 16.086 1.00 66.44 C ATOM 86 O4' DT A 6 9.016 15.953 15.264 1.00 57.64 O ATOM 87 C3' DT A 6 9.814 14.272 16.730 1.00 70.00 C ATOM 88 O3' DT A 6 10.247 13.167 15.952 1.00 68.08 O ATOM 89 C2' DT A 6 10.805 15.424 16.667 1.00 54.51 C ATOM 90 C1' DT A 6 10.429 16.027 15.334 1.00 39.35 C ATOM 91 N1 DT A 6 10.819 17.422 15.100 1.00 34.42 N ATOM 92 C2 DT A 6 10.962 17.798 13.784 1.00 34.30 C ATOM 93 O2 DT A 6 10.810 17.022 12.862 1.00 33.04 O ATOM 94 N3 DT A 6 11.292 19.112 13.585 1.00 31.70 N ATOM 95 C4 DT A 6 11.501 20.061 14.550 1.00 31.74 C ATOM 96 O4 DT A 6 11.770 21.203 14.215 1.00 35.56 O ATOM 97 C5 DT A 6 11.372 19.594 15.920 1.00 29.83 C ATOM 98 C7 DT A 6 11.641 20.546 17.036 1.00 25.86 C ATOM 99 C6 DT A 6 11.028 18.315 16.126 1.00 34.45 C ATOM 100 P DT A 7 11.451 12.262 16.479 1.00 73.53 P ATOM 101 OP1 DT A 7 10.893 10.878 16.489 1.00 72.34 O ATOM 102 OP2 DT A 7 11.999 12.863 17.732 1.00 52.66 O ATOM 103 O5' DT A 7 12.519 12.405 15.309 1.00 50.30 O ATOM 104 C5' DT A 7 12.065 12.289 13.968 1.00 63.59 C ATOM 105 C4' DT A 7 13.046 12.906 13.003 1.00 70.98 C ATOM 106 O4' DT A 7 13.033 14.354 13.086 1.00 70.29 O ATOM 107 C3' DT A 7 14.497 12.461 13.161 1.00 68.89 C ATOM 108 O3' DT A 7 14.964 12.032 11.889 1.00 61.89 O ATOM 109 C2' DT A 7 15.210 13.726 13.605 1.00 77.27 C ATOM 110 C1' DT A 7 14.355 14.832 13.008 1.00 55.57 C ATOM 111 N1 DT A 7 14.431 16.137 13.720 1.00 38.85 N ATOM 112 C2 DT A 7 14.613 17.269 12.948 1.00 36.79 C ATOM 113 O2 DT A 7 14.656 17.236 11.726 1.00 42.72 O ATOM 114 N3 DT A 7 14.752 18.443 13.659 1.00 32.19 N ATOM 115 C4 DT A 7 14.727 18.595 15.032 1.00 33.26 C ATOM 116 O4 DT A 7 14.892 19.710 15.529 1.00 47.05 O ATOM 117 C5 DT A 7 14.502 17.372 15.783 1.00 26.37 C ATOM 118 C7 DT A 7 14.439 17.446 17.274 1.00 15.57 C ATOM 119 C6 DT A 7 14.359 16.221 15.100 1.00 22.74 C ATOM 120 P DT A 8 16.438 11.414 11.729 1.00 53.13 P ATOM 121 OP1 DT A 8 16.323 10.013 11.221 1.00 53.01 O ATOM 122 OP2 DT A 8 17.230 11.688 12.958 1.00 37.74 O ATOM 123 O5' DT A 8 16.950 12.279 10.504 1.00 37.87 O ATOM 124 C5' DT A 8 16.012 12.634 9.491 1.00 44.59 C ATOM 125 C4' DT A 8 16.497 13.832 8.717 1.00 53.62 C ATOM 126 O4' DT A 8 16.424 15.045 9.521 1.00 52.94 O ATOM 127 C3' DT A 8 17.950 13.667 8.294 1.00 47.45 C ATOM 128 O3' DT A 8 18.109 13.902 6.900 1.00 43.89 O ATOM 129 C2' DT A 8 18.702 14.681 9.140 1.00 53.75 C ATOM 130 C1' DT A 8 17.656 15.741 9.453 1.00 32.18 C ATOM 131 N1 DT A 8 17.882 16.463 10.747 1.00 22.96 N ATOM 132 C2 DT A 8 18.138 17.818 10.668 1.00 23.60 C ATOM 133 O2 DT A 8 18.200 18.418 9.609 1.00 23.79 O ATOM 134 N3 DT A 8 18.332 18.446 11.874 1.00 16.42 N ATOM 135 C4 DT A 8 18.302 17.872 13.131 1.00 30.07 C ATOM 136 O4 DT A 8 18.456 18.571 14.143 1.00 50.00 O ATOM 137 C5 DT A 8 18.067 16.453 13.150 1.00 22.88 C ATOM 138 C7 DT A 8 18.077 15.761 14.476 1.00 20.37 C ATOM 139 C6 DT A 8 17.856 15.819 11.973 1.00 15.38 C ATOM 140 P DG A 9 19.407 13.328 6.160 1.00 42.19 P ATOM 141 OP1 DG A 9 19.006 13.050 4.761 1.00 21.22 O ATOM 142 OP2 DG A 9 20.027 12.263 6.988 1.00 42.47 O ATOM 143 O5' DG A 9 20.414 14.550 6.179 1.00 50.64 O ATOM 144 C5' DG A 9 20.082 15.752 5.520 1.00 55.25 C ATOM 145 C4' DG A 9 21.137 16.790 5.797 1.00 48.94 C ATOM 146 O4' DG A 9 21.048 17.228 7.173 1.00 44.08 O ATOM 147 C3' DG A 9 22.566 16.285 5.601 1.00 37.08 C ATOM 148 O3' DG A 9 23.307 17.312 4.955 1.00 56.33 O ATOM 149 C2' DG A 9 23.056 16.058 7.024 1.00 17.87 C ATOM 150 C1' DG A 9 22.321 17.142 7.776 1.00 15.49 C ATOM 151 N9 DG A 9 22.121 16.940 9.204 1.00 19.03 N ATOM 152 C8 DG A 9 22.004 15.759 9.886 1.00 26.06 C ATOM 153 N7 DG A 9 21.813 15.929 11.170 1.00 33.12 N ATOM 154 C5 DG A 9 21.813 17.306 11.340 1.00 16.43 C ATOM 155 C6 DG A 9 21.667 18.087 12.507 1.00 23.48 C ATOM 156 O6 DG A 9 21.492 17.715 13.673 1.00 36.99 O ATOM 157 N1 DG A 9 21.741 19.436 12.228 1.00 19.00 N ATOM 158 C2 DG A 9 21.924 19.972 10.987 1.00 37.48 C ATOM 159 N2 DG A 9 21.958 21.311 10.922 1.00 49.84 N ATOM 160 N3 DG A 9 22.062 19.260 9.889 1.00 26.09 N ATOM 161 C4 DG A 9 22.000 17.942 10.139 1.00 21.82 C ATOM 162 P DA A 10 24.593 16.946 4.074 1.00 72.22 P ATOM 163 OP1 DA A 10 24.167 16.610 2.688 1.00 50.41 O ATOM 164 OP2 DA A 10 25.411 15.980 4.848 1.00 73.43 O ATOM 165 O5' DA A 10 25.357 18.340 4.041 1.00 83.55 O ATOM 166 C5' DA A 10 24.620 19.554 3.873 1.00 74.77 C ATOM 167 C4' DA A 10 25.167 20.656 4.757 1.00 61.41 C ATOM 168 O4' DA A 10 24.799 20.469 6.149 1.00 50.39 O ATOM 169 C3' DA A 10 26.680 20.871 4.725 1.00 60.64 C ATOM 170 O3' DA A 10 26.953 22.264 4.526 1.00 74.20 O ATOM 171 C2' DA A 10 27.144 20.369 6.086 1.00 53.13 C ATOM 172 C1' DA A 10 25.934 20.574 6.992 1.00 24.32 C ATOM 173 N9 DA A 10 25.784 19.558 8.037 1.00 31.55 N ATOM 174 C8 DA A 10 25.773 18.193 7.863 1.00 40.12 C ATOM 175 N7 DA A 10 25.574 17.517 8.975 1.00 43.38 N ATOM 176 C5 DA A 10 25.455 18.503 9.952 1.00 28.36 C ATOM 177 C6 DA A 10 25.222 18.445 11.360 1.00 30.20 C ATOM 178 N6 DA A 10 25.040 17.310 12.045 1.00 30.66 N ATOM 179 N1 DA A 10 25.173 19.612 12.037 1.00 22.98 N ATOM 180 C2 DA A 10 25.330 20.749 11.353 1.00 26.59 C ATOM 181 N3 DA A 10 25.537 20.936 10.039 1.00 31.82 N ATOM 182 C4 DA A 10 25.594 19.764 9.389 1.00 23.72 C ATOM 183 P DG A 11 28.400 22.737 4.012 1.00 78.46 P ATOM 184 OP1 DG A 11 28.177 23.972 3.219 1.00 74.66 O ATOM 185 OP2 DG A 11 29.099 21.596 3.378 1.00 74.19 O ATOM 186 O5' DG A 11 29.112 23.129 5.386 1.00 56.87 O ATOM 187 C5' DG A 11 28.499 24.103 6.235 1.00 62.81 C ATOM 188 C4' DG A 11 28.984 23.980 7.661 1.00 71.12 C ATOM 189 O4' DG A 11 28.467 22.789 8.307 1.00 63.21 O ATOM 190 C3' DG A 11 30.503 23.939 7.855 1.00 79.67 C ATOM 191 O3' DG A 11 30.856 24.743 8.995 1.00 79.38 O ATOM 192 C2' DG A 11 30.748 22.483 8.201 1.00 71.55 C ATOM 193 C1' DG A 11 29.528 22.234 9.050 1.00 56.68 C ATOM 194 N9 DG A 11 29.235 20.841 9.342 1.00 44.65 N ATOM 195 C8 DG A 11 29.166 19.795 8.457 1.00 42.97 C ATOM 196 N7 DG A 11 28.942 18.646 9.040 1.00 33.87 N ATOM 197 C5 DG A 11 28.854 18.955 10.393 1.00 29.56 C ATOM 198 C6 DG A 11 28.642 18.109 11.530 1.00 35.90 C ATOM 199 O6 DG A 11 28.529 16.875 11.570 1.00 44.36 O ATOM 200 N1 DG A 11 28.582 18.841 12.709 1.00 30.80 N ATOM 201 C2 DG A 11 28.726 20.201 12.803 1.00 33.86 C ATOM 202 N2 DG A 11 28.597 20.714 14.040 1.00 25.11 N ATOM 203 N3 DG A 11 28.964 20.999 11.760 1.00 27.39 N ATOM 204 C4 DG A 11 29.008 20.309 10.594 1.00 31.40 C ATOM 205 P DA A 12 32.303 25.446 9.067 1.00 66.98 P ATOM 206 OP1 DA A 12 32.391 26.392 7.914 1.00 39.46 O ATOM 207 OP2 DA A 12 33.348 24.404 9.257 1.00 66.23 O ATOM 208 O5' DA A 12 32.260 26.267 10.427 1.00 43.72 O ATOM 209 C5' DA A 12 31.126 26.195 11.282 1.00 55.29 C ATOM 210 C4' DA A 12 31.524 25.646 12.631 1.00 60.40 C ATOM 211 O4' DA A 12 31.177 24.247 12.770 1.00 70.08 O ATOM 212 C3' DA A 12 33.015 25.746 12.914 1.00 57.38 C ATOM 213 O3' DA A 12 33.202 26.092 14.274 1.00 65.76 O ATOM 214 C2' DA A 12 33.505 24.333 12.672 1.00 66.33 C ATOM 215 C1' DA A 12 32.323 23.504 13.144 1.00 62.71 C ATOM 216 N9 DA A 12 32.223 22.183 12.518 1.00 52.83 N ATOM 217 C8 DA A 12 32.313 21.883 11.180 1.00 47.48 C ATOM 218 N7 DA A 12 32.202 20.603 10.913 1.00 44.00 N ATOM 219 C5 DA A 12 32.025 20.018 12.157 1.00 44.60 C ATOM 220 C6 DA A 12 31.858 18.672 12.555 1.00 47.95 C ATOM 221 N6 DA A 12 31.863 17.646 11.696 1.00 42.88 N ATOM 222 N1 DA A 12 31.696 18.418 13.879 1.00 43.59 N ATOM 223 C2 DA A 12 31.714 19.458 14.733 1.00 48.13 C ATOM 224 N3 DA A 12 31.877 20.769 14.477 1.00 44.50 N ATOM 225 C4 DA A 12 32.027 20.980 13.157 1.00 42.63 C ATOM 226 P DA A 13 34.555 26.812 14.721 1.00 75.42 P ATOM 227 OP1 DA A 13 34.175 28.152 15.236 1.00 78.28 O ATOM 228 OP2 DA A 13 35.532 26.693 13.601 1.00 56.67 O ATOM 229 O5' DA A 13 35.029 25.923 15.948 1.00 60.53 O ATOM 230 C5' DA A 13 34.079 25.450 16.897 1.00 61.67 C ATOM 231 C4' DA A 13 34.522 24.116 17.447 1.00 72.74 C ATOM 232 O4' DA A 13 34.220 23.043 16.511 1.00 79.74 O ATOM 233 C3' DA A 13 36.031 24.054 17.699 1.00 66.28 C ATOM 234 O3' DA A 13 36.319 23.412 18.939 1.00 59.33 O ATOM 235 C2' DA A 13 36.547 23.197 16.558 1.00 60.72 C ATOM 236 C1' DA A 13 35.384 22.243 16.352 1.00 58.51 C ATOM 237 N9 DA A 13 35.345 21.602 15.037 1.00 43.07 N ATOM 238 C8 DA A 13 35.554 22.181 13.808 1.00 39.61 C ATOM 239 N7 DA A 13 35.490 21.334 12.804 1.00 36.76 N ATOM 240 C5 DA A 13 35.213 20.116 13.413 1.00 34.89 C ATOM 241 C6 DA A 13 35.015 18.815 12.890 1.00 21.74 C ATOM 242 N6 DA A 13 35.068 18.534 11.602 1.00 18.24 N ATOM 243 N1 DA A 13 34.750 17.812 13.758 1.00 16.71 N ATOM 244 C2 DA A 13 34.685 18.110 15.067 1.00 28.28 C ATOM 245 N3 DA A 13 34.849 19.297 15.681 1.00 35.28 N ATOM 246 C4 DA A 13 35.114 20.266 14.787 1.00 37.27 C ATOM 247 P DG A 14 37.798 23.514 19.541 1.00 74.77 P ATOM 248 OP1 DG A 14 37.707 24.192 20.867 1.00 66.18 O ATOM 249 OP2 DG A 14 38.675 24.065 18.469 1.00 66.37 O ATOM 250 O5' DG A 14 38.218 22.009 19.811 1.00 76.95 O ATOM 251 C5' DG A 14 37.542 21.268 20.806 1.00 67.84 C ATOM 252 C4' DG A 14 37.767 19.791 20.606 1.00 52.22 C ATOM 253 O4' DG A 14 37.352 19.383 19.274 1.00 50.56 O ATOM 254 C3' DG A 14 39.210 19.315 20.772 1.00 41.95 C ATOM 255 O3' DG A 14 39.161 18.061 21.447 1.00 66.53 O ATOM 256 C2' DG A 14 39.651 19.059 19.340 1.00 48.29 C ATOM 257 C1' DG A 14 38.351 18.540 18.734 1.00 27.72 C ATOM 258 N9 DG A 14 38.244 18.551 17.273 1.00 29.33 N ATOM 259 C8 DG A 14 38.270 19.646 16.434 1.00 31.20 C ATOM 260 N7 DG A 14 38.214 19.322 15.165 1.00 31.76 N ATOM 261 C5 DG A 14 38.129 17.930 15.163 1.00 25.09 C ATOM 262 C6 DG A 14 38.059 16.997 14.067 1.00 29.09 C ATOM 263 O6 DG A 14 38.051 17.233 12.848 1.00 28.85 O ATOM 264 N1 DG A 14 37.998 15.678 14.517 1.00 22.09 N ATOM 265 C2 DG A 14 37.997 15.297 15.840 1.00 37.80 C ATOM 266 N2 DG A 14 37.933 13.979 16.073 1.00 45.61 N ATOM 267 N3 DG A 14 38.059 16.147 16.862 1.00 31.06 N ATOM 268 C4 DG A 14 38.128 17.437 16.453 1.00 27.53 C ATOM 269 P DA A 15 38.648 17.996 22.966 1.00 83.49 P ATOM 270 OP1 DA A 15 38.720 16.575 23.431 1.00 84.57 O ATOM 271 OP2 DA A 15 37.367 18.734 23.041 1.00 77.35 O ATOM 272 O5' DA A 15 39.727 18.860 23.742 1.00 86.20 O ATOM 273 C5' DA A 15 41.106 18.714 23.444 1.00 90.01 C ATOM 274 C4' DA A 15 41.897 19.792 24.139 1.00 72.84 C ATOM 275 O4' DA A 15 41.643 19.695 25.564 1.00 66.14 O ATOM 276 C3' DA A 15 43.403 19.632 23.962 1.00 65.68 C ATOM 277 O3' DA A 15 44.049 20.897 24.051 1.00 94.58 O ATOM 278 C2' DA A 15 43.797 18.855 25.199 1.00 61.14 C ATOM 279 C1' DA A 15 42.847 19.416 26.246 1.00 42.88 C ATOM 280 N9 DA A 15 42.576 18.445 27.300 1.00 32.83 N ATOM 281 C8 DA A 15 42.095 17.172 27.162 1.00 39.29 C ATOM 282 N7 DA A 15 42.140 16.469 28.267 1.00 38.24 N ATOM 283 C5 DA A 15 42.654 17.353 29.205 1.00 24.64 C ATOM 284 C6 DA A 15 43.013 17.203 30.573 1.00 29.54 C ATOM 285 N6 DA A 15 42.947 16.041 31.244 1.00 30.51 N ATOM 286 N1 DA A 15 43.479 18.297 31.223 1.00 31.33 N ATOM 287 C2 DA A 15 43.606 19.443 30.535 1.00 37.80 C ATOM 288 N3 DA A 15 43.340 19.693 29.247 1.00 37.22 N ATOM 289 C4 DA A 15 42.867 18.594 28.634 1.00 27.35 C TER 290 DA A 15 ATOM 291 O5' DA B 16 42.750 17.237 3.117 1.00 78.50 O ATOM 292 C5' DA B 16 43.268 16.266 2.199 1.00 69.82 C ATOM 293 C4' DA B 16 43.763 14.950 2.762 1.00 61.37 C ATOM 294 O4' DA B 16 44.774 15.219 3.765 1.00 46.18 O ATOM 295 C3'A DA B 16 42.924 13.812 3.341 0.50 58.97 C ATOM 296 C3'B DA B 16 42.552 14.382 3.520 0.50 59.24 C ATOM 297 O3'A DA B 16 43.536 12.583 2.848 0.50 62.14 O ATOM 298 O3'B DA B 16 41.814 13.291 2.964 0.50 58.72 O ATOM 299 C2' DA B 16 43.083 13.974 4.864 1.00 53.20 C ATOM 300 C1' DA B 16 44.445 14.615 5.009 1.00 27.94 C ATOM 301 N9 DA B 16 44.256 15.691 5.973 1.00 23.62 N ATOM 302 C8 DA B 16 44.036 17.030 5.738 1.00 29.99 C ATOM 303 N7 DA B 16 43.800 17.728 6.825 1.00 26.90 N ATOM 304 C5 DA B 16 43.890 16.788 7.841 1.00 15.37 C ATOM 305 C6 DA B 16 43.739 16.883 9.224 1.00 21.28 C ATOM 306 N6 DA B 16 43.447 18.017 9.866 1.00 28.14 N ATOM 307 N1 DA B 16 43.901 15.755 9.944 1.00 16.37 N ATOM 308 C2 DA B 16 44.199 14.617 9.309 1.00 15.09 C ATOM 309 N3 DA B 16 44.367 14.401 8.017 1.00 15.00 N ATOM 310 C4 DA B 16 44.193 15.536 7.330 1.00 15.45 C ATOM 311 P A DT B 17 42.850 11.165 3.162 0.50 64.75 P ATOM 312 P B DT B 17 40.254 13.105 3.392 0.50 61.38 P ATOM 313 OP1A DT B 17 43.847 10.109 3.477 0.50 66.56 O ATOM 314 OP1B DT B 17 39.559 12.326 2.334 0.50 54.50 O ATOM 315 OP2A DT B 17 41.805 10.880 2.151 0.50 62.43 O ATOM 316 OP2B DT B 17 39.707 14.431 3.797 0.50 52.23 O ATOM 317 O5'A DT B 17 42.153 11.553 4.519 0.50 63.33 O ATOM 318 O5'B DT B 17 40.305 12.215 4.715 0.50 54.33 O ATOM 319 C5'A DT B 17 40.877 11.107 4.808 0.50 62.71 C ATOM 320 C5'B DT B 17 41.075 11.012 4.740 0.50 59.70 C ATOM 321 C4'A DT B 17 40.941 10.323 6.084 0.50 65.51 C ATOM 322 C4'B DT B 17 40.962 10.320 6.081 0.50 64.00 C ATOM 323 O4' DT B 17 41.509 11.148 7.133 1.00 61.05 O ATOM 324 C3' DT B 17 39.561 9.919 6.542 1.00 66.72 C ATOM 325 O3' DT B 17 39.634 8.620 7.058 1.00 60.80 O ATOM 326 C2' DT B 17 39.226 10.935 7.619 1.00 63.98 C ATOM 327 C1' DT B 17 40.591 11.257 8.208 1.00 52.45 C ATOM 328 N1 DT B 17 40.703 12.622 8.745 1.00 30.63 N ATOM 329 C2 DT B 17 40.725 12.798 10.113 1.00 29.69 C ATOM 330 O2 DT B 17 40.630 11.885 10.907 1.00 33.68 O ATOM 331 N3 DT B 17 40.840 14.102 10.517 1.00 24.72 N ATOM 332 C4 DT B 17 40.911 15.228 9.710 1.00 34.13 C ATOM 333 O4 DT B 17 41.003 16.352 10.208 1.00 32.30 O ATOM 334 C5 DT B 17 40.868 14.975 8.302 1.00 33.63 C ATOM 335 C7 DT B 17 40.920 16.145 7.374 1.00 24.90 C ATOM 336 C6 DT B 17 40.777 13.699 7.886 1.00 35.95 C ATOM 337 P DC B 18 38.307 7.921 7.501 1.00 69.97 P ATOM 338 OP1 DC B 18 38.563 6.446 7.508 1.00 65.12 O ATOM 339 OP2 DC B 18 37.261 8.515 6.623 1.00 69.77 O ATOM 340 O5' DC B 18 38.150 8.461 8.983 1.00 36.38 O ATOM 341 C5' DC B 18 39.016 7.963 9.980 1.00 24.62 C ATOM 342 C4' DC B 18 38.480 8.306 11.342 1.00 41.70 C ATOM 343 O4' DC B 18 38.686 9.713 11.565 1.00 52.00 O ATOM 344 C3' DC B 18 36.988 8.047 11.529 1.00 36.76 C ATOM 345 O3' DC B 18 36.789 7.441 12.807 1.00 43.77 O ATOM 346 C2' DC B 18 36.390 9.439 11.454 1.00 48.67 C ATOM 347 C1' DC B 18 37.498 10.298 12.018 1.00 39.78 C ATOM 348 N1 DC B 18 37.515 11.679 11.560 1.00 35.87 N ATOM 349 C2 DC B 18 37.601 12.685 12.506 1.00 35.20 C ATOM 350 O2 DC B 18 37.645 12.367 13.692 1.00 41.83 O ATOM 351 N3 DC B 18 37.633 13.976 12.110 1.00 27.03 N ATOM 352 C4 DC B 18 37.578 14.267 10.812 1.00 37.30 C ATOM 353 N4 DC B 18 37.617 15.550 10.454 1.00 33.19 N ATOM 354 C5 DC B 18 37.484 13.252 9.816 1.00 31.69 C ATOM 355 C6 DC B 18 37.457 11.979 10.232 1.00 33.52 C ATOM 356 P DT B 19 35.380 6.776 13.175 1.00 51.28 P ATOM 357 OP1 DT B 19 35.672 5.564 13.988 1.00 49.27 O ATOM 358 OP2 DT B 19 34.509 6.681 11.971 1.00 31.31 O ATOM 359 O5' DT B 19 34.755 7.862 14.142 1.00 56.51 O ATOM 360 C5' DT B 19 35.592 8.461 15.105 1.00 59.43 C ATOM 361 C4' DT B 19 34.846 9.501 15.900 1.00 60.25 C ATOM 362 O4' DT B 19 35.078 10.799 15.337 1.00 47.77 O ATOM 363 C3' DT B 19 33.334 9.339 16.057 1.00 58.22 C ATOM 364 O3' DT B 19 33.017 9.350 17.454 1.00 51.33 O ATOM 365 C2' DT B 19 32.770 10.559 15.340 1.00 57.24 C ATOM 366 C1' DT B 19 33.907 11.562 15.446 1.00 49.55 C ATOM 367 N1 DT B 19 33.985 12.594 14.405 1.00 33.88 N ATOM 368 C2 DT B 19 34.071 13.910 14.798 1.00 25.52 C ATOM 369 O2 DT B 19 34.095 14.258 15.968 1.00 27.91 O ATOM 370 N3 DT B 19 34.147 14.807 13.770 1.00 19.16 N ATOM 371 C4 DT B 19 34.164 14.525 12.428 1.00 22.52 C ATOM 372 O4 DT B 19 34.217 15.440 11.618 1.00 32.10 O ATOM 373 C5 DT B 19 34.106 13.125 12.091 1.00 15.57 C ATOM 374 C7 DT B 19 34.186 12.721 10.658 1.00 16.38 C ATOM 375 C6 DT B 19 33.998 12.244 13.080 1.00 15.41 C ATOM 376 P DT B 20 31.535 8.989 17.947 1.00 54.30 P ATOM 377 OP1 DT B 20 31.617 7.979 19.025 1.00 42.82 O ATOM 378 OP2 DT B 20 30.661 8.730 16.778 1.00 53.27 O ATOM 379 O5' DT B 20 31.126 10.372 18.600 1.00 65.70 O ATOM 380 C5' DT B 20 32.122 11.135 19.258 1.00 67.58 C ATOM 381 C4' DT B 20 31.722 12.587 19.353 1.00 58.89 C ATOM 382 O4' DT B 20 32.020 13.301 18.130 1.00 54.84 O ATOM 383 C3' DT B 20 30.257 12.867 19.681 1.00 51.95 C ATOM 384 O3' DT B 20 30.185 13.725 20.826 1.00 71.16 O ATOM 385 C2' DT B 20 29.732 13.553 18.427 1.00 34.11 C ATOM 386 C1' DT B 20 30.975 14.222 17.871 1.00 37.53 C ATOM 387 N1 DT B 20 30.962 14.495 16.417 1.00 30.00 N ATOM 388 C2 DT B 20 31.295 15.766 15.960 1.00 35.33 C ATOM 389 O2 DT B 20 31.604 16.687 16.689 1.00 45.60 O ATOM 390 N3 DT B 20 31.261 15.913 14.599 1.00 21.52 N ATOM 391 C4 DT B 20 30.943 14.946 13.666 1.00 28.34 C ATOM 392 O4 DT B 20 30.961 15.217 12.472 1.00 29.15 O ATOM 393 C5 DT B 20 30.606 13.648 14.207 1.00 26.49 C ATOM 394 C7 DT B 20 30.246 12.550 13.260 1.00 31.75 C ATOM 395 C6 DT B 20 30.629 13.487 15.538 1.00 15.82 C ATOM 396 P DC B 21 28.759 14.043 21.506 1.00 94.71 P ATOM 397 OP1 DC B 21 28.984 14.199 22.970 1.00 94.92 O ATOM 398 OP2 DC B 21 27.723 13.074 21.031 1.00 90.32 O ATOM 399 O5' DC B 21 28.449 15.484 20.910 1.00 85.54 O ATOM 400 C5' DC B 21 29.413 16.521 21.027 1.00 74.11 C ATOM 401 C4' DC B 21 28.834 17.821 20.526 1.00 80.02 C ATOM 402 O4' DC B 21 29.051 17.938 19.098 1.00 70.82 O ATOM 403 C3' DC B 21 27.326 17.942 20.762 1.00 82.95 C ATOM 404 O3' DC B 21 26.963 19.252 21.218 1.00 93.84 O ATOM 405 C2' DC B 21 26.738 17.669 19.392 1.00 83.70 C ATOM 406 C1' DC B 21 27.817 18.159 18.436 1.00 56.12 C ATOM 407 N1 DC B 21 27.827 17.402 17.167 1.00 46.44 N ATOM 408 C2 DC B 21 28.147 18.074 15.974 1.00 43.68 C ATOM 409 O2 DC B 21 28.502 19.261 16.032 1.00 33.46 O ATOM 410 N3 DC B 21 28.068 17.400 14.795 1.00 32.36 N ATOM 411 C4 DC B 21 27.712 16.110 14.783 1.00 40.01 C ATOM 412 N4 DC B 21 27.616 15.493 13.599 1.00 45.83 N ATOM 413 C5 DC B 21 27.427 15.394 15.988 1.00 41.30 C ATOM 414 C6 DC B 21 27.497 16.070 17.143 1.00 40.33 C ATOM 415 P DT B 22 25.424 19.590 21.579 1.00 92.41 P ATOM 416 OP1 DT B 22 25.317 19.681 23.055 1.00 64.63 O ATOM 417 OP2 DT B 22 24.514 18.668 20.851 1.00 84.36 O ATOM 418 O5' DT B 22 25.264 21.045 20.947 1.00 81.24 O ATOM 419 C5' DT B 22 26.426 21.840 20.688 1.00 81.46 C ATOM 420 C4' DT B 22 26.277 22.604 19.391 1.00 85.75 C ATOM 421 O4' DT B 22 26.401 21.734 18.237 1.00 86.13 O ATOM 422 C3' DT B 22 24.946 23.334 19.227 1.00 91.95 C ATOM 423 O3' DT B 22 25.172 24.622 18.657 1.00 94.64 O ATOM 424 C2' DT B 22 24.187 22.469 18.238 1.00 88.83 C ATOM 425 C1' DT B 22 25.310 21.965 17.350 1.00 69.69 C ATOM 426 N1 DT B 22 25.003 20.697 16.648 1.00 50.56 N ATOM 427 C2 DT B 22 25.071 20.655 15.259 1.00 46.34 C ATOM 428 O2 DT B 22 25.390 21.612 14.566 1.00 39.18 O ATOM 429 N3 DT B 22 24.758 19.437 14.710 1.00 40.77 N ATOM 430 C4 DT B 22 24.401 18.281 15.388 1.00 43.54 C ATOM 431 O4 DT B 22 24.152 17.252 14.755 1.00 48.39 O ATOM 432 C5 DT B 22 24.354 18.399 16.837 1.00 33.19 C ATOM 433 C7 DT B 22 23.971 17.208 17.656 1.00 25.47 C ATOM 434 C6 DT B 22 24.654 19.583 17.383 1.00 38.23 C ATOM 435 P DC B 23 24.070 25.771 18.850 1.00 86.86 P ATOM 436 OP1 DC B 23 24.768 27.084 18.827 1.00 88.93 O ATOM 437 OP2 DC B 23 23.212 25.400 20.012 1.00 76.77 O ATOM 438 O5' DC B 23 23.223 25.689 17.513 1.00 69.72 O ATOM 439 C5' DC B 23 23.769 26.190 16.296 1.00 67.45 C ATOM 440 C4' DC B 23 22.773 26.014 15.175 1.00 77.70 C ATOM 441 O4' DC B 23 22.674 24.611 14.807 1.00 66.88 O ATOM 442 C3' DC B 23 21.365 26.464 15.568 1.00 83.26 C ATOM 443 O3' DC B 23 20.712 27.093 14.458 1.00 75.95 O ATOM 444 C2' DC B 23 20.689 25.158 15.949 1.00 82.96 C ATOM 445 C1' DC B 23 21.356 24.151 15.017 1.00 68.56 C ATOM 446 N1 DC B 23 21.428 22.776 15.533 1.00 49.01 N ATOM 447 C2 DC B 23 21.624 21.748 14.616 1.00 43.60 C ATOM 448 O2 DC B 23 21.815 22.054 13.431 1.00 28.55 O ATOM 449 N3 DC B 23 21.603 20.456 15.044 1.00 46.93 N ATOM 450 C4 DC B 23 21.411 20.189 16.345 1.00 52.80 C ATOM 451 N4 DC B 23 21.359 18.904 16.727 1.00 44.62 N ATOM 452 C5 DC B 23 21.255 21.232 17.315 1.00 45.71 C ATOM 453 C6 DC B 23 21.275 22.499 16.868 1.00 45.64 C ATOM 454 P DA B 24 20.382 28.667 14.505 1.00 64.65 P ATOM 455 OP1 DA B 24 21.663 29.403 14.667 1.00 54.70 O ATOM 456 OP2 DA B 24 19.283 28.875 15.488 1.00 53.09 O ATOM 457 O5' DA B 24 19.871 28.967 13.024 1.00 43.92 O ATOM 458 C5' DA B 24 20.810 29.044 11.952 1.00 38.23 C ATOM 459 C4' DA B 24 20.363 28.201 10.778 1.00 51.30 C ATOM 460 O4' DA B 24 20.323 26.792 11.127 1.00 61.51 O ATOM 461 C3' DA B 24 19.001 28.532 10.178 1.00 37.89 C ATOM 462 O3' DA B 24 19.134 28.497 8.755 1.00 52.43 O ATOM 463 C2' DA B 24 18.100 27.419 10.701 1.00 53.74 C ATOM 464 C1' DA B 24 19.044 26.227 10.859 1.00 44.76 C ATOM 465 N9 DA B 24 18.738 25.292 11.959 1.00 42.65 N ATOM 466 C8 DA B 24 18.451 25.608 13.269 1.00 45.05 C ATOM 467 N7 DA B 24 18.289 24.562 14.052 1.00 26.29 N ATOM 468 C5 DA B 24 18.472 23.482 13.204 1.00 37.01 C ATOM 469 C6 DA B 24 18.456 22.080 13.428 1.00 34.25 C ATOM 470 N6 DA B 24 18.264 21.506 14.628 1.00 16.41 N ATOM 471 N1 DA B 24 18.655 21.279 12.364 1.00 31.90 N ATOM 472 C2 DA B 24 18.868 21.845 11.170 1.00 41.48 C ATOM 473 N3 DA B 24 18.926 23.139 10.833 1.00 36.95 N ATOM 474 C4 DA B 24 18.721 23.915 11.905 1.00 38.72 C ATOM 475 P DA B 25 17.863 28.794 7.829 1.00 77.09 P ATOM 476 OP1 DA B 25 18.326 29.215 6.467 1.00 57.93 O ATOM 477 OP2 DA B 25 16.946 29.660 8.609 1.00 76.21 O ATOM 478 O5' DA B 25 17.173 27.375 7.686 1.00 73.64 O ATOM 479 C5' DA B 25 17.789 26.352 6.926 1.00 74.49 C ATOM 480 C4' DA B 25 16.883 25.151 6.891 1.00 49.51 C ATOM 481 O4' DA B 25 16.927 24.457 8.168 1.00 53.18 O ATOM 482 C3' DA B 25 15.426 25.572 6.684 1.00 47.41 C ATOM 483 O3' DA B 25 14.751 24.624 5.853 1.00 54.34 O ATOM 484 C2' DA B 25 14.847 25.472 8.084 1.00 43.11 C ATOM 485 C1' DA B 25 15.591 24.254 8.588 1.00 43.66 C ATOM 486 N9 DA B 25 15.558 24.022 10.036 1.00 42.97 N ATOM 487 C8 DA B 25 15.566 24.936 11.058 1.00 32.30 C ATOM 488 N7 DA B 25 15.456 24.392 12.250 1.00 37.44 N ATOM 489 C5 DA B 25 15.386 23.027 11.997 1.00 34.91 C ATOM 490 C6 DA B 25 15.252 21.893 12.847 1.00 32.08 C ATOM 491 N6 DA B 25 15.153 21.947 14.177 1.00 28.40 N ATOM 492 N1 DA B 25 15.222 20.682 12.268 1.00 31.21 N ATOM 493 C2 DA B 25 15.321 20.610 10.939 1.00 43.15 C ATOM 494 N3 DA B 25 15.444 21.587 10.040 1.00 39.55 N ATOM 495 C4 DA B 25 15.468 22.785 10.640 1.00 41.82 C ATOM 496 P DA B 26 14.771 24.795 4.260 1.00 66.16 P ATOM 497 OP1 DA B 26 16.151 25.232 3.917 1.00 70.50 O ATOM 498 OP2 DA B 26 13.613 25.606 3.819 1.00 80.30 O ATOM 499 O5' DA B 26 14.560 23.299 3.772 1.00 70.48 O ATOM 500 C5' DA B 26 15.665 22.403 3.764 1.00 79.93 C ATOM 501 C4' DA B 26 15.218 20.997 4.084 1.00 74.01 C ATOM 502 O4' DA B 26 14.924 20.821 5.490 1.00 67.91 O ATOM 503 C3' DA B 26 13.976 20.539 3.338 1.00 60.80 C ATOM 504 O3' DA B 26 14.164 19.168 2.989 1.00 59.02 O ATOM 505 C2' DA B 26 12.875 20.737 4.367 1.00 49.88 C ATOM 506 C1' DA B 26 13.580 20.397 5.662 1.00 33.37 C ATOM 507 N9 DA B 26 13.075 21.086 6.843 1.00 36.83 N ATOM 508 C8 DA B 26 12.819 22.422 6.989 1.00 35.77 C ATOM 509 N7 DA B 26 12.481 22.764 8.211 1.00 35.72 N ATOM 510 C5 DA B 26 12.484 21.565 8.907 1.00 27.86 C ATOM 511 C6 DA B 26 12.224 21.248 10.258 1.00 37.03 C ATOM 512 N6 DA B 26 11.891 22.143 11.180 1.00 39.42 N ATOM 513 N1 DA B 26 12.325 19.958 10.631 1.00 37.26 N ATOM 514 C2 DA B 26 12.669 19.055 9.706 1.00 51.04 C ATOM 515 N3 DA B 26 12.939 19.228 8.408 1.00 45.02 N ATOM 516 C4 DA B 26 12.826 20.521 8.070 1.00 32.27 C ATOM 517 P DA B 27 12.944 18.328 2.401 1.00 64.01 P ATOM 518 OP1 DA B 27 13.505 17.108 1.781 1.00 75.03 O ATOM 519 OP2 DA B 27 12.068 19.215 1.610 1.00 71.59 O ATOM 520 O5' DA B 27 12.171 17.904 3.713 1.00 64.65 O ATOM 521 C5' DA B 27 12.738 16.950 4.588 1.00 61.73 C ATOM 522 C4' DA B 27 11.627 16.137 5.187 1.00 63.57 C ATOM 523 O4' DA B 27 11.055 16.865 6.286 1.00 46.51 O ATOM 524 C3' DA B 27 10.504 15.970 4.177 1.00 60.91 C ATOM 525 O3' DA B 27 9.845 14.737 4.419 1.00 73.30 O ATOM 526 C2' DA B 27 9.610 17.163 4.456 1.00 49.43 C ATOM 527 C1' DA B 27 9.752 17.315 5.961 1.00 49.12 C ATOM 528 N9 DA B 27 9.649 18.678 6.470 1.00 40.64 N ATOM 529 C8 DA B 27 9.817 19.861 5.805 1.00 29.11 C ATOM 530 N7 DA B 27 9.731 20.913 6.580 1.00 33.96 N ATOM 531 C5 DA B 27 9.474 20.385 7.838 1.00 24.26 C ATOM 532 C6 DA B 27 9.294 20.981 9.106 1.00 36.05 C ATOM 533 N6 DA B 27 9.346 22.298 9.323 1.00 43.00 N ATOM 534 N1 DA B 27 9.060 20.165 10.159 1.00 37.49 N ATOM 535 C2 DA B 27 9.008 18.849 9.942 1.00 44.17 C ATOM 536 N3 DA B 27 9.162 18.174 8.802 1.00 45.41 N ATOM 537 C4 DA B 27 9.400 19.012 7.779 1.00 31.51 C ATOM 538 P DA B 28 8.614 14.320 3.501 1.00 78.79 P ATOM 539 OP1 DA B 28 8.815 12.870 3.246 1.00 78.72 O ATOM 540 OP2 DA B 28 8.486 15.271 2.352 1.00 59.32 O ATOM 541 O5' DA B 28 7.384 14.526 4.487 1.00 64.24 O ATOM 542 C5' DA B 28 7.274 13.719 5.651 1.00 68.39 C ATOM 543 C4' DA B 28 6.108 14.161 6.499 1.00 67.68 C ATOM 544 O4' DA B 28 6.444 15.352 7.258 1.00 64.27 O ATOM 545 C3' DA B 28 4.868 14.503 5.676 1.00 62.06 C ATOM 546 O3' DA B 28 3.691 13.971 6.268 1.00 61.80 O ATOM 547 C2' DA B 28 4.806 16.009 5.765 1.00 67.15 C ATOM 548 C1' DA B 28 5.365 16.244 7.150 1.00 58.51 C ATOM 549 N9 DA B 28 5.839 17.612 7.327 1.00 40.53 N ATOM 550 C8 DA B 28 6.315 18.448 6.358 1.00 33.40 C ATOM 551 N7 DA B 28 6.454 19.687 6.754 1.00 42.90 N ATOM 552 C5 DA B 28 6.091 19.651 8.087 1.00 33.79 C ATOM 553 C6 DA B 28 5.983 20.651 9.058 1.00 45.59 C ATOM 554 N6 DA B 28 6.194 21.944 8.810 1.00 59.72 N ATOM 555 N1 DA B 28 5.625 20.280 10.306 1.00 42.61 N ATOM 556 C2 DA B 28 5.377 18.989 10.536 1.00 38.11 C ATOM 557 N3 DA B 28 5.416 17.960 9.693 1.00 31.50 N ATOM 558 C4 DA B 28 5.776 18.365 8.470 1.00 29.27 C ATOM 559 P DC B 29 2.270 14.236 5.561 1.00 63.46 P ATOM 560 OP1 DC B 29 1.643 12.927 5.270 1.00 70.09 O ATOM 561 OP2 DC B 29 2.494 15.196 4.453 1.00 62.31 O ATOM 562 O5' DC B 29 1.406 14.947 6.698 1.00 44.32 O ATOM 563 C5' DC B 29 1.296 14.356 7.991 1.00 43.49 C ATOM 564 C4' DC B 29 0.709 15.337 8.977 1.00 62.74 C ATOM 565 O4' DC B 29 1.560 16.510 9.026 1.00 66.11 O ATOM 566 C3' DC B 29 -0.686 15.846 8.616 1.00 74.05 C ATOM 567 O3' DC B 29 -1.418 16.170 9.799 1.00 85.77 O ATOM 568 C2' DC B 29 -0.394 17.162 7.921 1.00 76.23 C ATOM 569 C1' DC B 29 0.815 17.665 8.692 1.00 63.79 C ATOM 570 N1 DC B 29 1.689 18.567 7.927 1.00 56.57 N ATOM 571 C2 DC B 29 2.246 19.686 8.575 1.00 54.19 C ATOM 572 O2 DC B 29 2.046 19.842 9.790 1.00 41.21 O ATOM 573 N3 DC B 29 2.999 20.556 7.862 1.00 54.42 N ATOM 574 C4 DC B 29 3.230 20.330 6.566 1.00 65.40 C ATOM 575 N4 DC B 29 3.989 21.207 5.905 1.00 61.74 N ATOM 576 C5 DC B 29 2.698 19.187 5.889 1.00 63.60 C ATOM 577 C6 DC B 29 1.943 18.339 6.603 1.00 55.11 C TER 578 DC B 29 ATOM 579 N GLY C 139 6.283 14.460 12.867 1.00 54.67 N ATOM 580 CA GLY C 139 7.300 15.441 12.424 1.00 57.45 C ATOM 581 C GLY C 139 7.892 15.067 11.078 1.00 64.99 C ATOM 582 O GLY C 139 7.175 14.661 10.159 1.00 60.80 O ATOM 583 N ARG C 140 9.208 15.222 10.956 1.00 68.14 N ATOM 584 CA ARG C 140 9.917 14.883 9.726 1.00 62.30 C ATOM 585 C ARG C 140 10.191 13.382 9.739 1.00 53.56 C ATOM 586 O ARG C 140 10.713 12.842 10.710 1.00 44.02 O ATOM 587 CB ARG C 140 11.236 15.672 9.635 1.00 61.63 C ATOM 588 CG ARG C 140 12.252 15.147 8.614 1.00 72.00 C ATOM 589 CD ARG C 140 13.353 16.168 8.287 1.00 44.39 C ATOM 590 NE ARG C 140 14.356 15.576 7.415 1.00 55.50 N ATOM 591 CZ ARG C 140 15.163 16.255 6.610 1.00 61.77 C ATOM 592 NH1 ARG C 140 15.098 17.579 6.544 1.00 57.22 N ATOM 593 NH2 ARG C 140 16.047 15.596 5.873 1.00 66.97 N ATOM 594 N PRO C 141 9.830 12.688 8.660 1.00 42.59 N ATOM 595 CA PRO C 141 10.060 11.251 8.600 1.00 42.25 C ATOM 596 C PRO C 141 11.533 10.943 8.899 1.00 56.68 C ATOM 597 O PRO C 141 12.446 11.674 8.474 1.00 60.85 O ATOM 598 CB PRO C 141 9.665 10.917 7.169 1.00 51.92 C ATOM 599 CG PRO C 141 10.075 12.177 6.399 1.00 30.09 C ATOM 600 CD PRO C 141 9.561 13.245 7.322 1.00 45.76 C ATOM 601 N ARG C 142 11.763 9.869 9.648 1.00 52.85 N ATOM 602 CA ARG C 142 13.122 9.479 9.990 1.00 47.96 C ATOM 603 C ARG C 142 13.913 9.172 8.731 1.00 58.48 C ATOM 604 O ARG C 142 13.361 9.153 7.633 1.00 54.35 O ATOM 605 CB ARG C 142 13.121 8.261 10.928 1.00 21.86 C ATOM 606 CG ARG C 142 13.270 8.636 12.422 1.00 19.89 C ATOM 607 CD ARG C 142 13.286 7.416 13.326 1.00 20.46 C ATOM 608 NE ARG C 142 13.425 7.754 14.746 1.00 34.21 N ATOM 609 CZ ARG C 142 14.486 8.353 15.282 1.00 47.53 C ATOM 610 NH1 ARG C 142 15.511 8.697 14.511 1.00 63.38 N ATOM 611 NH2 ARG C 142 14.545 8.570 16.596 1.00 36.74 N ATOM 612 N ALA C 143 15.209 8.938 8.888 1.00 66.61 N ATOM 613 CA ALA C 143 16.054 8.644 7.742 1.00 71.96 C ATOM 614 C ALA C 143 16.120 7.146 7.417 1.00 69.50 C ATOM 615 O ALA C 143 16.291 6.752 6.253 1.00 55.72 O ATOM 616 CB ALA C 143 17.447 9.185 7.999 1.00 91.34 C ATOM 617 N ILE C 144 15.973 6.320 8.452 1.00 65.68 N ATOM 618 CA ILE C 144 16.040 4.873 8.304 1.00 59.71 C ATOM 619 C ILE C 144 15.236 4.083 9.374 1.00 66.81 C ATOM 620 O ILE C 144 15.316 4.367 10.571 1.00 68.91 O ATOM 621 CB ILE C 144 17.514 4.444 8.349 1.00 52.68 C ATOM 622 CG1 ILE C 144 18.134 4.950 9.648 1.00 29.58 C ATOM 623 CG2 ILE C 144 18.261 4.992 7.145 1.00 24.65 C ATOM 624 CD1 ILE C 144 19.632 5.076 9.629 1.00 46.04 C ATOM 625 N ASN C 145 14.479 3.081 8.929 1.00 63.35 N ATOM 626 CA ASN C 145 13.661 2.228 9.804 1.00 58.18 C ATOM 627 C ASN C 145 14.450 1.122 10.506 1.00 63.39 C ATOM 628 O ASN C 145 15.590 0.829 10.136 1.00 74.01 O ATOM 629 CB ASN C 145 12.590 1.579 8.972 1.00 51.37 C ATOM 630 CG ASN C 145 13.160 0.936 7.745 1.00 50.38 C ATOM 631 OD1 ASN C 145 13.766 -0.139 7.813 1.00 55.82 O ATOM 632 ND2 ASN C 145 12.998 1.606 6.603 1.00 34.35 N ATOM 633 N LYS C 146 13.824 0.481 11.493 1.00 60.88 N ATOM 634 CA LYS C 146 14.492 -0.569 12.255 1.00 63.05 C ATOM 635 C LYS C 146 15.186 -1.576 11.356 1.00 67.48 C ATOM 636 O LYS C 146 16.327 -1.951 11.615 1.00 77.54 O ATOM 637 CB LYS C 146 13.511 -1.287 13.195 1.00 61.91 C ATOM 638 CG LYS C 146 13.394 -0.680 14.617 1.00 74.05 C ATOM 639 CD LYS C 146 12.560 0.624 14.682 1.00 85.44 C ATOM 640 CE LYS C 146 11.012 0.410 14.595 1.00 94.85 C ATOM 641 NZ LYS C 146 10.267 0.294 15.912 1.00 88.75 N ATOM 642 N HIS C 147 14.507 -1.998 10.294 1.00 69.14 N ATOM 643 CA HIS C 147 15.055 -2.966 9.337 1.00 74.59 C ATOM 644 C HIS C 147 16.355 -2.387 8.755 1.00 72.29 C ATOM 645 O HIS C 147 17.419 -3.029 8.779 1.00 66.84 O ATOM 646 CB HIS C 147 14.019 -3.198 8.231 1.00 84.47 C ATOM 647 CG HIS C 147 14.149 -4.510 7.519 1.00 94.90 C ATOM 648 ND1 HIS C 147 14.694 -4.621 6.256 1.00 95.00 N ATOM 649 CD2 HIS C 147 13.757 -5.758 7.869 1.00 94.27 C ATOM 650 CE1 HIS C 147 14.628 -5.880 5.858 1.00 95.00 C ATOM 651 NE2 HIS C 147 14.063 -6.590 6.818 1.00 95.00 N ATOM 652 N GLU C 148 16.253 -1.164 8.237 1.00 71.52 N ATOM 653 CA GLU C 148 17.397 -0.468 7.669 1.00 58.02 C ATOM 654 C GLU C 148 18.447 -0.361 8.750 1.00 47.78 C ATOM 655 O GLU C 148 19.613 -0.637 8.507 1.00 55.17 O ATOM 656 CB GLU C 148 17.022 0.944 7.220 1.00 50.63 C ATOM 657 CG GLU C 148 16.068 1.041 6.039 1.00 60.92 C ATOM 658 CD GLU C 148 15.639 2.491 5.729 1.00 74.40 C ATOM 659 OE1 GLU C 148 14.722 3.035 6.397 1.00 72.19 O ATOM 660 OE2 GLU C 148 16.230 3.100 4.812 1.00 77.24 O ATOM 661 N GLN C 149 18.033 0.043 9.947 1.00 39.16 N ATOM 662 CA GLN C 149 18.973 0.187 11.059 1.00 53.28 C ATOM 663 C GLN C 149 19.758 -1.080 11.287 1.00 58.66 C ATOM 664 O GLN C 149 20.962 -1.020 11.499 1.00 66.32 O ATOM 665 CB GLN C 149 18.248 0.554 12.348 1.00 58.44 C ATOM 666 CG GLN C 149 17.708 1.966 12.370 1.00 72.91 C ATOM 667 CD GLN C 149 16.985 2.274 13.661 1.00 87.61 C ATOM 668 OE1 GLN C 149 17.560 2.164 14.747 1.00 83.35 O ATOM 669 NE2 GLN C 149 15.713 2.659 13.554 1.00 89.21 N ATOM 670 N GLU C 150 19.063 -2.218 11.255 1.00 67.13 N ATOM 671 CA GLU C 150 19.675 -3.540 11.442 1.00 60.91 C ATOM 672 C GLU C 150 20.637 -3.800 10.327 1.00 51.44 C ATOM 673 O GLU C 150 21.825 -4.041 10.534 1.00 44.71 O ATOM 674 CB GLU C 150 18.639 -4.631 11.371 1.00 63.22 C ATOM 675 CG GLU C 150 18.039 -4.983 12.676 1.00 81.32 C ATOM 676 CD GLU C 150 17.076 -6.126 12.515 1.00 94.85 C ATOM 677 OE1 GLU C 150 16.067 -5.932 11.792 1.00 95.00 O ATOM 678 OE2 GLU C 150 17.332 -7.213 13.091 1.00 95.00 O ATOM 679 N GLN C 151 20.086 -3.793 9.128 1.00 40.15 N ATOM 680 CA GLN C 151 20.896 -3.985 7.959 1.00 47.95 C ATOM 681 C GLN C 151 22.198 -3.186 8.145 1.00 60.49 C ATOM 682 O GLN C 151 23.295 -3.745 8.132 1.00 66.35 O ATOM 683 CB GLN C 151 20.115 -3.494 6.750 1.00 42.91 C ATOM 684 CG GLN C 151 20.931 -3.397 5.488 1.00 60.15 C ATOM 685 CD GLN C 151 20.060 -3.485 4.259 1.00 86.37 C ATOM 686 OE1 GLN C 151 19.074 -2.758 4.123 1.00 87.89 O ATOM 687 NE2 GLN C 151 20.418 -4.384 3.352 1.00 94.87 N ATOM 688 N ILE C 152 22.066 -1.883 8.365 1.00 68.12 N ATOM 689 CA ILE C 152 23.231 -1.028 8.537 1.00 54.15 C ATOM 690 C ILE C 152 24.114 -1.397 9.696 1.00 50.07 C ATOM 691 O ILE C 152 25.317 -1.549 9.534 1.00 65.30 O ATOM 692 CB ILE C 152 22.848 0.442 8.713 1.00 52.97 C ATOM 693 CG1 ILE C 152 22.452 1.033 7.358 1.00 46.03 C ATOM 694 CG2 ILE C 152 24.020 1.200 9.299 1.00 38.20 C ATOM 695 CD1 ILE C 152 21.918 2.429 7.417 1.00 56.28 C ATOM 696 N SER C 153 23.529 -1.525 10.875 1.00 41.12 N ATOM 697 CA SER C 153 24.319 -1.856 12.050 1.00 44.81 C ATOM 698 C SER C 153 25.171 -3.099 11.824 1.00 57.30 C ATOM 699 O SER C 153 26.263 -3.217 12.383 1.00 63.72 O ATOM 700 CB SER C 153 23.415 -2.068 13.259 1.00 34.00 C ATOM 701 OG SER C 153 24.194 -2.192 14.434 1.00 48.74 O ATOM 702 N ARG C 154 24.670 -4.023 11.007 1.00 62.49 N ATOM 703 CA ARG C 154 25.404 -5.248 10.697 1.00 62.22 C ATOM 704 C ARG C 154 26.525 -4.870 9.723 1.00 63.21 C ATOM 705 O ARG C 154 27.698 -5.140 9.984 1.00 72.91 O ATOM 706 CB ARG C 154 24.459 -6.284 10.070 1.00 77.45 C ATOM 707 CG ARG C 154 24.848 -7.755 10.293 1.00 81.54 C ATOM 708 CD ARG C 154 23.703 -8.692 9.904 1.00 75.55 C ATOM 709 NE ARG C 154 22.481 -8.377 10.646 1.00 76.25 N ATOM 710 CZ ARG C 154 21.283 -8.202 10.091 1.00 77.58 C ATOM 711 NH1 ARG C 154 21.129 -8.311 8.776 1.00 74.52 N ATOM 712 NH2 ARG C 154 20.237 -7.902 10.851 1.00 71.30 N ATOM 713 N LEU C 155 26.164 -4.230 8.612 1.00 56.11 N ATOM 714 CA LEU C 155 27.153 -3.796 7.630 1.00 51.18 C ATOM 715 C LEU C 155 28.274 -2.980 8.279 1.00 58.08 C ATOM 716 O LEU C 155 29.430 -3.096 7.889 1.00 60.94 O ATOM 717 CB LEU C 155 26.498 -2.944 6.541 1.00 40.84 C ATOM 718 CG LEU C 155 25.650 -3.612 5.467 1.00 46.74 C ATOM 719 CD1 LEU C 155 25.015 -2.565 4.565 1.00 61.78 C ATOM 720 CD2 LEU C 155 26.526 -4.507 4.646 1.00 55.22 C ATOM 721 N LEU C 156 27.934 -2.145 9.256 1.00 66.40 N ATOM 722 CA LEU C 156 28.939 -1.320 9.929 1.00 77.69 C ATOM 723 C LEU C 156 29.876 -2.170 10.746 1.00 84.61 C ATOM 724 O LEU C 156 31.030 -1.801 10.963 1.00 94.65 O ATOM 725 CB LEU C 156 28.301 -0.299 10.871 1.00 72.60 C ATOM 726 CG LEU C 156 27.791 1.003 10.268 1.00 70.64 C ATOM 727 CD1 LEU C 156 27.263 1.904 11.370 1.00 69.58 C ATOM 728 CD2 LEU C 156 28.913 1.677 9.526 1.00 69.14 C ATOM 729 N GLU C 157 29.376 -3.307 11.211 1.00 80.78 N ATOM 730 CA GLU C 157 30.191 -4.186 12.026 1.00 78.63 C ATOM 731 C GLU C 157 30.985 -5.179 11.195 1.00 74.09 C ATOM 732 O GLU C 157 31.782 -5.953 11.715 1.00 75.79 O ATOM 733 CB GLU C 157 29.315 -4.847 13.097 1.00 77.12 C ATOM 734 N LYS C 158 30.788 -5.120 9.886 1.00 68.32 N ATOM 735 CA LYS C 158 31.530 -5.971 8.974 1.00 67.19 C ATOM 736 C LYS C 158 32.711 -5.169 8.465 1.00 68.03 C ATOM 737 O LYS C 158 33.591 -5.711 7.803 1.00 71.41 O ATOM 738 CB LYS C 158 30.675 -6.383 7.780 1.00 75.01 C ATOM 739 CG LYS C 158 29.980 -7.693 7.950 1.00 77.39 C ATOM 740 CD LYS C 158 29.516 -8.211 6.612 1.00 80.44 C ATOM 741 CE LYS C 158 29.123 -9.672 6.745 1.00 84.81 C ATOM 742 NZ LYS C 158 28.618 -10.225 5.471 1.00 79.25 N ATOM 743 N GLY C 159 32.706 -3.867 8.747 1.00 65.26 N ATOM 744 CA GLY C 159 33.791 -3.015 8.307 1.00 64.45 C ATOM 745 C GLY C 159 33.426 -1.957 7.284 1.00 69.40 C ATOM 746 O GLY C 159 34.285 -1.174 6.882 1.00 78.97 O ATOM 747 N HIS C 160 32.171 -1.920 6.852 1.00 71.51 N ATOM 748 CA HIS C 160 31.760 -0.912 5.879 1.00 72.08 C ATOM 749 C HIS C 160 31.885 0.505 6.439 1.00 69.00 C ATOM 750 O HIS C 160 31.406 0.804 7.526 1.00 68.28 O ATOM 751 CB HIS C 160 30.325 -1.146 5.435 1.00 74.05 C ATOM 752 CG HIS C 160 30.146 -2.383 4.615 1.00 83.22 C ATOM 753 ND1 HIS C 160 30.373 -3.646 5.116 1.00 83.41 N ATOM 754 CD2 HIS C 160 29.755 -2.551 3.330 1.00 86.81 C ATOM 755 CE1 HIS C 160 30.127 -4.541 4.175 1.00 86.80 C ATOM 756 NE2 HIS C 160 29.750 -3.902 3.081 1.00 81.95 N ATOM 757 N PRO C 161 32.527 1.401 5.683 1.00 62.36 N ATOM 758 CA PRO C 161 32.724 2.789 6.090 1.00 56.93 C ATOM 759 C PRO C 161 31.418 3.546 6.073 1.00 54.58 C ATOM 760 O PRO C 161 30.611 3.411 5.147 1.00 47.30 O ATOM 761 CB PRO C 161 33.670 3.314 5.031 1.00 66.96 C ATOM 762 CG PRO C 161 33.155 2.630 3.812 1.00 51.47 C ATOM 763 CD PRO C 161 32.965 1.207 4.290 1.00 58.20 C ATOM 764 N ARG C 162 31.213 4.364 7.088 1.00 48.29 N ATOM 765 CA ARG C 162 29.987 5.128 7.140 1.00 41.78 C ATOM 766 C ARG C 162 29.871 6.017 5.915 1.00 43.80 C ATOM 767 O ARG C 162 28.775 6.292 5.448 1.00 57.19 O ATOM 768 CB ARG C 162 29.951 5.986 8.396 1.00 26.57 C ATOM 769 CG ARG C 162 30.031 5.202 9.680 1.00 16.33 C ATOM 770 CD ARG C 162 29.768 6.127 10.846 1.00 30.02 C ATOM 771 NE ARG C 162 29.545 5.388 12.083 1.00 40.89 N ATOM 772 CZ ARG C 162 30.425 4.549 12.618 1.00 54.34 C ATOM 773 NH1 ARG C 162 30.124 3.920 13.753 1.00 54.90 N ATOM 774 NH2 ARG C 162 31.601 4.345 12.018 1.00 61.42 N ATOM 775 N GLN C 163 30.998 6.474 5.392 1.00 46.85 N ATOM 776 CA GLN C 163 30.950 7.339 4.222 1.00 59.46 C ATOM 777 C GLN C 163 30.228 6.625 3.084 1.00 57.33 C ATOM 778 O GLN C 163 29.368 7.203 2.416 1.00 57.55 O ATOM 779 CB GLN C 163 32.362 7.702 3.776 1.00 75.03 C ATOM 780 CG GLN C 163 33.240 8.278 4.866 1.00 91.58 C ATOM 781 CD GLN C 163 33.736 9.679 4.532 1.00 95.00 C ATOM 782 OE1 GLN C 163 32.937 10.615 4.410 1.00 95.00 O ATOM 783 NE2 GLN C 163 35.062 9.831 4.382 1.00 95.00 N ATOM 784 N GLN C 164 30.588 5.361 2.875 1.00 57.08 N ATOM 785 CA GLN C 164 29.991 4.564 1.817 1.00 59.33 C ATOM 786 C GLN C 164 28.534 4.332 2.087 1.00 55.58 C ATOM 787 O GLN C 164 27.683 4.776 1.316 1.00 48.85 O ATOM 788 CB GLN C 164 30.700 3.230 1.690 1.00 70.83 C ATOM 789 N LEU C 165 28.261 3.625 3.184 1.00 51.36 N ATOM 790 CA LEU C 165 26.894 3.330 3.617 1.00 46.86 C ATOM 791 C LEU C 165 25.997 4.556 3.502 1.00 51.78 C ATOM 792 O LEU C 165 24.817 4.436 3.179 1.00 49.89 O ATOM 793 CB LEU C 165 26.881 2.873 5.070 1.00 31.52 C ATOM 794 CG LEU C 165 27.384 1.479 5.405 1.00 39.52 C ATOM 795 CD1 LEU C 165 27.133 1.186 6.870 1.00 31.45 C ATOM 796 CD2 LEU C 165 26.636 0.472 4.568 1.00 47.55 C ATOM 797 N ALA C 166 26.571 5.728 3.783 1.00 57.56 N ATOM 798 CA ALA C 166 25.862 7.004 3.720 1.00 47.88 C ATOM 799 C ALA C 166 25.443 7.306 2.287 1.00 48.45 C ATOM 800 O ALA C 166 24.267 7.573 2.015 1.00 48.99 O ATOM 801 CB ALA C 166 26.747 8.109 4.239 1.00 40.43 C ATOM 802 N ILE C 167 26.411 7.266 1.374 1.00 47.92 N ATOM 803 CA ILE C 167 26.136 7.517 -0.034 1.00 55.13 C ATOM 804 C ILE C 167 25.089 6.535 -0.529 1.00 63.66 C ATOM 805 O ILE C 167 24.180 6.894 -1.276 1.00 67.25 O ATOM 806 CB ILE C 167 27.356 7.273 -0.903 1.00 54.47 C ATOM 807 CG1 ILE C 167 28.584 7.922 -0.283 1.00 60.65 C ATOM 808 CG2 ILE C 167 27.098 7.816 -2.302 1.00 51.54 C ATOM 809 CD1 ILE C 167 29.830 7.738 -1.120 1.00 66.07 C ATOM 810 N ILE C 168 25.237 5.286 -0.106 1.00 67.47 N ATOM 811 CA ILE C 168 24.345 4.223 -0.520 1.00 73.52 C ATOM 812 C ILE C 168 22.915 4.336 -0.003 1.00 68.53 C ATOM 813 O ILE C 168 21.988 4.450 -0.798 1.00 57.14 O ATOM 814 CB ILE C 168 24.955 2.868 -0.135 1.00 83.05 C ATOM 815 CG1 ILE C 168 26.315 2.726 -0.830 1.00 88.22 C ATOM 816 CG2 ILE C 168 24.041 1.732 -0.558 1.00 82.32 C ATOM 817 CD1 ILE C 168 27.225 1.658 -0.249 1.00 94.96 C ATOM 818 N PHE C 169 22.724 4.316 1.313 1.00 65.67 N ATOM 819 CA PHE C 169 21.376 4.408 1.876 1.00 66.70 C ATOM 820 C PHE C 169 20.684 5.750 1.692 1.00 77.45 C ATOM 821 O PHE C 169 19.633 5.982 2.281 1.00 87.28 O ATOM 822 CB PHE C 169 21.386 4.082 3.368 1.00 63.52 C ATOM 823 CG PHE C 169 21.534 2.628 3.662 1.00 85.66 C ATOM 824 CD1 PHE C 169 22.744 1.989 3.469 1.00 89.31 C ATOM 825 CD2 PHE C 169 20.453 1.889 4.123 1.00 94.82 C ATOM 826 CE1 PHE C 169 22.877 0.629 3.733 1.00 94.91 C ATOM 827 CE2 PHE C 169 20.573 0.529 4.389 1.00 95.00 C ATOM 828 CZ PHE C 169 21.787 -0.102 4.194 1.00 94.98 C ATOM 829 N GLY C 170 21.257 6.637 0.887 1.00 79.61 N ATOM 830 CA GLY C 170 20.635 7.937 0.691 1.00 70.48 C ATOM 831 C GLY C 170 20.487 8.769 1.968 1.00 68.92 C ATOM 832 O GLY C 170 19.436 9.372 2.210 1.00 79.66 O ATOM 833 N ILE C 171 21.530 8.802 2.796 1.00 57.92 N ATOM 834 CA ILE C 171 21.498 9.583 4.024 1.00 52.25 C ATOM 835 C ILE C 171 22.889 10.131 4.328 1.00 55.95 C ATOM 836 O ILE C 171 23.896 9.534 3.948 1.00 58.53 O ATOM 837 CB ILE C 171 21.000 8.746 5.227 1.00 42.16 C ATOM 838 CG1 ILE C 171 22.000 7.652 5.581 1.00 36.15 C ATOM 839 CG2 ILE C 171 19.680 8.103 4.895 1.00 46.90 C ATOM 840 CD1 ILE C 171 21.720 7.035 6.939 1.00 28.16 C ATOM 841 N GLY C 172 22.928 11.271 5.015 1.00 51.85 N ATOM 842 CA GLY C 172 24.187 11.922 5.354 1.00 48.10 C ATOM 843 C GLY C 172 25.006 11.282 6.462 1.00 48.90 C ATOM 844 O GLY C 172 24.457 10.666 7.395 1.00 42.06 O ATOM 845 N VAL C 173 26.324 11.474 6.380 1.00 35.20 N ATOM 846 CA VAL C 173 27.237 10.874 7.335 1.00 27.13 C ATOM 847 C VAL C 173 26.990 11.220 8.774 1.00 29.95 C ATOM 848 O VAL C 173 27.041 10.333 9.628 1.00 44.62 O ATOM 849 CB VAL C 173 28.678 11.216 7.031 1.00 21.60 C ATOM 850 CG1 VAL C 173 29.575 10.455 7.977 1.00 16.28 C ATOM 851 CG2 VAL C 173 29.011 10.838 5.602 1.00 15.26 C ATOM 852 N SER C 174 26.741 12.495 9.061 1.00 26.02 N ATOM 853 CA SER C 174 26.501 12.877 10.449 1.00 35.19 C ATOM 854 C SER C 174 25.329 12.098 11.007 1.00 34.14 C ATOM 855 O SER C 174 25.309 11.788 12.198 1.00 31.17 O ATOM 856 CB SER C 174 26.259 14.385 10.596 1.00 35.65 C ATOM 857 OG SER C 174 25.518 14.909 9.513 1.00 55.01 O ATOM 858 N THR C 175 24.373 11.756 10.144 1.00 43.08 N ATOM 859 CA THR C 175 23.208 10.991 10.576 1.00 47.96 C ATOM 860 C THR C 175 23.668 9.623 11.062 1.00 47.43 C ATOM 861 O THR C 175 23.283 9.187 12.136 1.00 35.41 O ATOM 862 CB THR C 175 22.176 10.803 9.433 1.00 56.65 C ATOM 863 OG1 THR C 175 21.620 12.068 9.059 1.00 56.62 O ATOM 864 CG2 THR C 175 21.045 9.924 9.886 1.00 67.21 C ATOM 865 N LEU C 176 24.504 8.947 10.281 1.00 44.00 N ATOM 866 CA LEU C 176 24.982 7.633 10.690 1.00 36.87 C ATOM 867 C LEU C 176 25.731 7.649 12.021 1.00 39.22 C ATOM 868 O LEU C 176 25.495 6.806 12.893 1.00 47.33 O ATOM 869 CB LEU C 176 25.892 7.031 9.624 1.00 33.42 C ATOM 870 CG LEU C 176 25.241 6.485 8.358 1.00 55.71 C ATOM 871 CD1 LEU C 176 26.320 5.904 7.468 1.00 65.64 C ATOM 872 CD2 LEU C 176 24.233 5.419 8.700 1.00 45.82 C ATOM 873 N TYR C 177 26.650 8.593 12.176 1.00 34.60 N ATOM 874 CA TYR C 177 27.415 8.657 13.406 1.00 40.23 C ATOM 875 C TYR C 177 26.484 8.831 14.582 1.00 36.90 C ATOM 876 O TYR C 177 26.810 8.458 15.708 1.00 38.98 O ATOM 877 CB TYR C 177 28.411 9.796 13.329 1.00 36.02 C ATOM 878 CG TYR C 177 29.656 9.428 12.569 1.00 36.25 C ATOM 879 CD1 TYR C 177 30.586 8.563 13.120 1.00 33.08 C ATOM 880 CD2 TYR C 177 29.909 9.946 11.298 1.00 35.52 C ATOM 881 CE1 TYR C 177 31.745 8.217 12.432 1.00 42.46 C ATOM 882 CE2 TYR C 177 31.065 9.607 10.601 1.00 24.06 C ATOM 883 CZ TYR C 177 31.974 8.742 11.174 1.00 38.49 C ATOM 884 OH TYR C 177 33.105 8.379 10.489 1.00 39.69 O ATOM 885 N ARG C 178 25.315 9.392 14.294 1.00 37.02 N ATOM 886 CA ARG C 178 24.293 9.623 15.301 1.00 42.87 C ATOM 887 C ARG C 178 23.597 8.304 15.618 1.00 43.47 C ATOM 888 O ARG C 178 23.458 7.954 16.778 1.00 42.40 O ATOM 889 CB AARG C 178 23.287 10.677 14.819 0.50 39.69 C ATOM 890 CB BARG C 178 23.101 10.197 14.676 0.50 49.86 C ATOM 891 CG AARG C 178 22.041 10.834 15.706 0.50 38.58 C ATOM 892 CG BARG C 178 21.849 10.122 15.524 0.50 50.14 C ATOM 893 CD AARG C 178 21.701 12.306 15.988 0.50 28.30 C ATOM 894 CD BARG C 178 21.722 11.342 16.427 0.50 50.17 C ATOM 895 NE AARG C 178 21.630 13.111 14.777 0.50 16.61 N ATOM 896 NE BARG C 178 22.257 12.558 15.822 0.50 50.09 N ATOM 897 CZ AARG C 178 20.643 13.043 13.903 0.50 17.50 C ATOM 898 CZ BARG C 178 22.801 13.563 16.503 0.50 50.22 C ATOM 899 NH1AARG C 178 20.664 13.810 12.822 0.50 15.12 N ATOM 900 NH1BARG C 178 23.258 14.632 15.851 0.50 50.04 N ATOM 901 NH2AARG C 178 19.630 12.213 14.127 0.50 19.69 N ATOM 902 NH2BARG C 178 22.894 13.496 17.832 0.50 50.17 N ATOM 903 N TYR C 179 23.154 7.576 14.590 1.00 44.41 N ATOM 904 CA TYR C 179 22.526 6.279 14.826 1.00 53.75 C ATOM 905 C TYR C 179 23.553 5.224 15.286 1.00 59.63 C ATOM 906 O TYR C 179 23.170 4.193 15.829 1.00 65.57 O ATOM 907 CB TYR C 179 21.857 5.749 13.566 1.00 59.64 C ATOM 908 CG TYR C 179 20.505 6.313 13.237 1.00 61.04 C ATOM 909 CD1 TYR C 179 20.368 7.615 12.804 1.00 59.03 C ATOM 910 CD2 TYR C 179 19.370 5.506 13.264 1.00 61.34 C ATOM 911 CE1 TYR C 179 19.143 8.100 12.389 1.00 61.80 C ATOM 912 CE2 TYR C 179 18.140 5.982 12.851 1.00 54.13 C ATOM 913 CZ TYR C 179 18.033 7.282 12.406 1.00 59.85 C ATOM 914 OH TYR C 179 16.828 7.771 11.931 1.00 54.74 O ATOM 915 N PHE C 180 24.844 5.453 15.040 1.00 55.17 N ATOM 916 CA PHE C 180 25.863 4.505 15.465 1.00 45.26 C ATOM 917 C PHE C 180 27.167 5.208 15.699 1.00 43.19 C ATOM 918 O PHE C 180 27.949 5.372 14.777 1.00 47.46 O ATOM 919 CB PHE C 180 26.108 3.444 14.412 1.00 52.33 C ATOM 920 CG PHE C 180 24.891 3.045 13.677 1.00 54.39 C ATOM 921 CD1 PHE C 180 24.548 3.680 12.497 1.00 54.70 C ATOM 922 CD2 PHE C 180 24.056 2.061 14.179 1.00 54.27 C ATOM 923 CE1 PHE C 180 23.375 3.339 11.816 1.00 63.99 C ATOM 924 CE2 PHE C 180 22.883 1.714 13.512 1.00 57.00 C ATOM 925 CZ PHE C 180 22.540 2.355 12.324 1.00 55.87 C ATOM 926 N PRO C 181 27.419 5.649 16.933 1.00 42.27 N ATOM 927 CA PRO C 181 28.666 6.342 17.274 1.00 55.67 C ATOM 928 C PRO C 181 29.818 5.390 17.030 1.00 63.60 C ATOM 929 O PRO C 181 29.682 4.202 17.266 1.00 63.48 O ATOM 930 CB PRO C 181 28.490 6.645 18.751 1.00 55.51 C ATOM 931 CG PRO C 181 27.008 6.873 18.845 1.00 42.90 C ATOM 932 CD PRO C 181 26.444 5.744 18.028 1.00 35.31 C ATOM 933 N ALA C 182 30.950 5.896 16.562 1.00 70.09 N ATOM 934 CA ALA C 182 32.083 5.018 16.292 1.00 66.63 C ATOM 935 C ALA C 182 32.470 4.280 17.566 1.00 66.53 C ATOM 936 O ALA C 182 33.131 3.245 17.525 1.00 69.29 O ATOM 937 CB ALA C 182 33.265 5.825 15.755 1.00 69.11 C ATOM 938 N SER C 183 32.055 4.821 18.701 1.00 63.05 N ATOM 939 CA SER C 183 32.346 4.193 19.972 1.00 67.81 C ATOM 940 C SER C 183 31.120 3.365 20.365 1.00 75.70 C ATOM 941 O SER C 183 30.925 3.041 21.535 1.00 74.46 O ATOM 942 CB SER C 183 32.643 5.264 21.022 1.00 74.87 C ATOM 943 OG SER C 183 31.604 6.232 21.055 1.00 89.03 O ATOM 944 N SER C 184 30.291 3.036 19.375 1.00 85.33 N ATOM 945 CA SER C 184 29.085 2.220 19.583 1.00 94.02 C ATOM 946 C SER C 184 29.109 1.017 18.629 1.00 94.92 C ATOM 947 O SER C 184 28.083 0.648 18.051 1.00 95.00 O ATOM 948 CB SER C 184 27.811 3.041 19.317 1.00 88.01 C ATOM 949 OG SER C 184 27.476 3.091 17.931 1.00 80.69 O ATOM 950 N ILE C 185 30.284 0.409 18.474 1.00 94.97 N ATOM 951 CA ILE C 185 30.456 -0.724 17.570 1.00 95.00 C ATOM 952 C ILE C 185 31.356 -1.817 18.145 1.00 95.00 C ATOM 953 O ILE C 185 30.958 -2.999 18.024 1.00 95.00 O ATOM 954 CB ILE C 185 31.041 -0.240 16.219 1.00 95.00 C ATOM 955 CG1 ILE C 185 29.961 0.505 15.425 1.00 94.50 C ATOM 956 CG2 ILE C 185 31.614 -1.412 15.437 1.00 95.00 C ATOM 957 CD1 ILE C 185 28.706 -0.318 15.145 1.00 93.57 C TER 958 ILE C 185 HETATM 959 O HOH A 201 20.672 21.963 6.101 1.00 44.04 O HETATM 960 O HOH B 202 29.660 22.776 19.397 1.00 37.97 O HETATM 961 O HOH B 203 26.558 12.969 14.885 1.00 31.69 O HETATM 962 O HOH B 204 23.802 25.393 9.050 1.00 43.60 O MASTER 343 0 0 3 0 0 0 6 959 3 0 8 END
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Entry Information
PDB ID
1jkp
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-INVERTASE HIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=2.05nM
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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