Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 28-MAY-07 2Q2K TITLE STRUCTURE OF NUCLEIC-ACID BINDING PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*TP*AP*TP*AP*(5IU)P*AP*CP*(5IU) COMPND 3 P*AP*GP*TP*AP*TP*AP*TP*AP*CP*T)-3'); COMPND 4 CHAIN: F; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: HYPOTHETICAL PROTEIN; COMPND 8 CHAIN: A, B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 5 ORGANISM_TAXID: 1280; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS PROTEIN-DNA, PARTITION, SEGREGATION, PARB, DNA BINDING KEYWDS 2 PROTEIN/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.A.SCHUMACHER,T.GLOVER,N.FIRTH REVDAT 2 24-FEB-09 2Q2K 1 VERSN REVDAT 1 05-FEB-08 2Q2K 0 JRNL AUTH M.A.SCHUMACHER,T.C.GLOVER,A.J.BRZOSKA,S.O.JENSEN, JRNL AUTH 2 T.D.DUNHAM,R.A.SKURRAY,N.FIRTH JRNL TITL SEGROSOME STRUCTURE REVEALED BY A COMPLEX OF PARR JRNL TITL 2 WITH CENTROMERE DNA. JRNL REF NATURE V. 450 1268 2007 JRNL REFN ISSN 0028-0836 JRNL PMID 18097417 JRNL DOI 10.1038/NATURE06392 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.27 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1236191.320 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.7 REMARK 3 NUMBER OF REFLECTIONS : 4506 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.258 REMARK 3 FREE R VALUE : 0.297 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.500 REMARK 3 FREE R VALUE TEST SET COUNT : 426 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.014 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 69.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 492 REMARK 3 BIN R VALUE (WORKING SET) : 0.4230 REMARK 3 BIN FREE R VALUE : 0.3850 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 49 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.061 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 762 REMARK 3 NUCLEIC ACID ATOMS : 407 REMARK 3 HETEROGEN ATOMS : 15 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 87.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 77.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 8.22000 REMARK 3 B22 (A**2) : 8.22000 REMARK 3 B33 (A**2) : -16.43000 REMARK 3 B12 (A**2) : 21.74000 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) : 0.46 REMARK 3 ESD FROM SIGMAA (A) : 0.58 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.55 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.52 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.29 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.630 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.470 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.660 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.690 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.34 REMARK 3 BSOL : 50.06 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 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : DNA-RNA.PARAM.TXT REMARK 3 PARAMETER FILE 5 : HEPES.PARAM REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 5 : HEPES.TOP REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2Q2K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUN-07. REMARK 100 THE RCSB ID CODE IS RCSB043068. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-APR-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.03 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 4506 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000 REMARK 200 RESOLUTION RANGE LOW (A) : 77.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : 0.06000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.19 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.00 REMARK 200 R MERGE FOR SHELL (I) : 0.37200 REMARK 200 R SYM FOR SHELL (I) : 0.36500 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.06 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, ISOPROPANOL, HEPES, PH REMARK 280 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 155.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 77.50000 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 116.25000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 38.75000 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 193.75000 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 155.00000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 77.50000 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 38.75000 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 116.25000 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 193.75000 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: HEXAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: F, A, B 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 350 BIOMT1 2 0.500000 -0.866025 0.000000 28.15000 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 48.75723 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 38.75000 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 MET A -18 REMARK 465 GLY A -17 REMARK 465 SER A -16 REMARK 465 SER A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 HIS A -11 REMARK 465 HIS A -10 REMARK 465 HIS A -9 REMARK 465 SER A -8 REMARK 465 SER A -7 REMARK 465 GLY A -6 REMARK 465 LEU A -5 REMARK 465 VAL A -4 REMARK 465 PRO A -3 REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 ASP A 2 REMARK 465 LYS A 3 REMARK 465 GLU A 49 REMARK 465 ASN A 50 REMARK 465 PRO A 51 REMARK 465 MET B -18 REMARK 465 GLY B -17 REMARK 465 SER B -16 REMARK 465 SER B -15 REMARK 465 HIS B -14 REMARK 465 HIS B -13 REMARK 465 HIS B -12 REMARK 465 HIS B -11 REMARK 465 HIS B -10 REMARK 465 HIS B -9 REMARK 465 SER B -8 REMARK 465 SER B -7 REMARK 465 GLY B -6 REMARK 465 LEU B -5 REMARK 465 VAL B -4 REMARK 465 PRO B -3 REMARK 465 GLY B -2 REMARK 465 SER B -1 REMARK 465 HIS B 0 REMARK 465 MET B 1 REMARK 465 ASP B 2 REMARK 465 LYS B 3 REMARK 465 GLY B 48 REMARK 465 GLU B 49 REMARK 465 ASN B 50 REMARK 465 PRO B 51 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O3S EPE A 3022 O3S EPE A 3022 10665 1.75 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 A 21 -70.74 -38.20 REMARK 500 PHE A 23 -73.32 -63.67 REMARK 500 ILE A 44 -81.09 -31.18 REMARK 500 ILE A 47 -99.60 -79.74 REMARK 500 LYS B 14 -81.55 -35.12 REMARK 500 GLU B 46 37.20 -63.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DT F 31 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EPE A 3022 DBREF 2Q2K A 1 51 UNP Q2FDA3 Q2FDA3_STAA3 1 51 DBREF 2Q2K B 1 51 UNP Q2FDA3 Q2FDA3_STAA3 1 51 DBREF 2Q2K F 12 31 PDB 2Q2K 2Q2K 12 31 SEQADV 2Q2K MET A -18 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY A -17 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER A -16 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER A -15 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -14 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -13 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -12 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -11 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -10 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A -9 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER A -8 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER A -7 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY A -6 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K LEU A -5 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K VAL A -4 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K PRO A -3 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY A -2 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER A -1 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS A 0 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K MET B -18 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY B -17 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER B -16 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER B -15 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -14 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -13 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -12 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -11 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -10 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B -9 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER B -8 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER B -7 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY B -6 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K LEU B -5 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K VAL B -4 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K PRO B -3 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K GLY B -2 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K SER B -1 UNP Q2FDA3 EXPRESSION TAG SEQADV 2Q2K HIS B 0 UNP Q2FDA3 EXPRESSION TAG SEQRES 1 F 20 DA DG DT DA DT DA 5IU DA DC 5IU DA DG DT SEQRES 2 F 20 DA DT DA DT DA DC DT SEQRES 1 A 70 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 70 LEU VAL PRO GLY SER HIS MET ASP LYS LYS GLU THR LYS SEQRES 3 A 70 HIS LEU LEU LYS ILE LYS LYS GLU ASP TYR PRO GLN ILE SEQRES 4 A 70 PHE ASP PHE LEU GLU ASN VAL PRO ARG GLY THR LYS THR SEQRES 5 A 70 ALA HIS ILE ARG GLU ALA LEU ARG ARG TYR ILE GLU GLU SEQRES 6 A 70 ILE GLY GLU ASN PRO SEQRES 1 B 70 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 B 70 LEU VAL PRO GLY SER HIS MET ASP LYS LYS GLU THR LYS SEQRES 3 B 70 HIS LEU LEU LYS ILE LYS LYS GLU ASP TYR PRO GLN ILE SEQRES 4 B 70 PHE ASP PHE LEU GLU ASN VAL PRO ARG GLY THR LYS THR SEQRES 5 B 70 ALA HIS ILE ARG GLU ALA LEU ARG ARG TYR ILE GLU GLU SEQRES 6 B 70 ILE GLY GLU ASN PRO MODRES 2Q2K 5IU F 18 DU 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE MODRES 2Q2K 5IU F 21 DU 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE HET 5IU F 18 20 HET 5IU F 21 20 HET EPE A3022 15 HETNAM 5IU 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE HETNAM EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID HETSYN EPE HEPES FORMUL 1 5IU 2(C9 H12 I N2 O8 P) FORMUL 4 EPE C8 H18 N2 O4 S HELIX 1 1 TYR A 17 GLU A 25 1 9 HELIX 2 2 THR A 31 ILE A 47 1 17 HELIX 3 3 TYR B 17 VAL B 27 1 11 HELIX 4 4 THR B 31 GLU B 46 1 16 SHEET 1 A 2 GLU A 5 LYS A 13 0 SHEET 2 A 2 GLU B 5 LYS B 13 -1 O LEU B 10 N HIS A 8 LINK O3' DA F 17 P 5IU F 18 1555 1555 1.61 LINK O3' 5IU F 18 P DA F 19 1555 1555 1.61 LINK O3' DC F 20 P 5IU F 21 1555 1555 1.59 LINK O3' 5IU F 21 P DA F 22 1555 1555 1.61 SITE 1 AC1 1 PRO A 28 CRYST1 56.300 56.300 232.500 90.00 90.00 120.00 P 65 2 2 24 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 0.017762 0.010255 0.000000 0.00000 SCALE2 0.000000 0.020510 0.000000 0.00000 SCALE3 0.000000 0.000000 0.004301 0.00000 ATOM 1 O5' DA F 12 10.101 -2.584 7.575 1.00 97.59 O ATOM 2 C5' DA F 12 10.372 -3.413 6.443 1.00 86.45 C ATOM 3 C4' DA F 12 10.805 -2.534 5.296 1.00 83.53 C ATOM 4 O4' DA F 12 9.659 -2.162 4.499 1.00 82.79 O ATOM 5 C3' DA F 12 11.453 -1.223 5.733 1.00 80.94 C ATOM 6 O3' DA F 12 12.504 -0.876 4.831 1.00 79.60 O ATOM 7 C2' DA F 12 10.309 -0.224 5.676 1.00 81.43 C ATOM 8 C1' DA F 12 9.477 -0.750 4.514 1.00 79.98 C ATOM 9 N9 DA F 12 8.039 -0.507 4.596 1.00 76.31 N ATOM 10 C8 DA F 12 7.172 -0.736 5.643 1.00 77.11 C ATOM 11 N7 DA F 12 5.916 -0.492 5.349 1.00 79.71 N ATOM 12 C5 DA F 12 5.964 -0.050 4.027 1.00 77.88 C ATOM 13 C6 DA F 12 4.959 0.377 3.115 1.00 75.96 C ATOM 14 N6 DA F 12 3.648 0.407 3.396 1.00 66.66 N ATOM 15 N1 DA F 12 5.360 0.773 1.882 1.00 77.05 N ATOM 16 C2 DA F 12 6.667 0.729 1.586 1.00 78.65 C ATOM 17 N3 DA F 12 7.693 0.344 2.348 1.00 77.21 N ATOM 18 C4 DA F 12 7.269 -0.036 3.566 1.00 75.90 C ATOM 19 P DG F 13 13.355 0.447 5.085 1.00 74.58 P ATOM 20 OP1 DG F 13 14.764 0.120 4.774 1.00 75.12 O ATOM 21 OP2 DG F 13 13.002 1.003 6.411 1.00 75.89 O ATOM 22 O5' DG F 13 12.768 1.434 3.998 1.00 70.61 O ATOM 23 C5' DG F 13 12.818 1.093 2.635 1.00 66.48 C ATOM 24 C4' DG F 13 12.178 2.182 1.807 1.00 67.21 C ATOM 25 O4' DG F 13 10.739 2.183 1.972 1.00 68.49 O ATOM 26 C3' DG F 13 12.644 3.603 2.115 1.00 66.45 C ATOM 27 O3' DG F 13 12.771 4.300 0.880 1.00 67.83 O ATOM 28 C2' DG F 13 11.504 4.174 2.933 1.00 69.07 C ATOM 29 C1' DG F 13 10.296 3.477 2.329 1.00 69.66 C ATOM 30 N9 DG F 13 9.141 3.329 3.217 1.00 74.69 N ATOM 31 C8 DG F 13 9.116 2.841 4.509 1.00 74.99 C ATOM 32 N7 DG F 13 7.918 2.856 5.040 1.00 73.42 N ATOM 33 C5 DG F 13 7.105 3.378 4.039 1.00 74.37 C ATOM 34 C6 DG F 13 5.713 3.634 4.022 1.00 73.53 C ATOM 35 O6 DG F 13 4.880 3.460 4.926 1.00 77.66 O ATOM 36 N1 DG F 13 5.310 4.154 2.799 1.00 69.82 N ATOM 37 C2 DG F 13 6.133 4.400 1.738 1.00 65.53 C ATOM 38 N2 DG F 13 5.568 4.890 0.645 1.00 69.46 N ATOM 39 N3 DG F 13 7.420 4.183 1.742 1.00 69.13 N ATOM 40 C4 DG F 13 7.842 3.671 2.910 1.00 73.60 C ATOM 41 P DT F 14 13.288 5.808 0.869 1.00 70.92 P ATOM 42 OP1 DT F 14 14.131 6.009 -0.334 1.00 62.34 O ATOM 43 OP2 DT F 14 13.862 6.029 2.227 1.00 69.43 O ATOM 44 O5' DT F 14 11.950 6.662 0.713 1.00 68.71 O ATOM 45 C5' DT F 14 10.940 6.273 -0.219 1.00 68.50 C ATOM 46 C4' DT F 14 9.679 7.093 -0.045 1.00 67.19 C ATOM 47 O4' DT F 14 8.811 6.550 0.978 1.00 68.09 O ATOM 48 C3' DT F 14 9.853 8.578 0.284 1.00 67.73 C ATOM 49 O3' DT F 14 9.149 9.382 -0.643 1.00 72.18 O ATOM 50 C2' DT F 14 9.189 8.744 1.641 1.00 67.08 C ATOM 51 C1' DT F 14 8.171 7.632 1.642 1.00 65.14 C ATOM 52 N1 DT F 14 7.754 7.188 2.999 1.00 62.91 N ATOM 53 C2 DT F 14 6.433 7.356 3.338 1.00 64.40 C ATOM 54 O2 DT F 14 5.581 7.785 2.555 1.00 70.33 O ATOM 55 N3 DT F 14 6.132 6.996 4.629 1.00 60.96 N ATOM 56 C4 DT F 14 6.994 6.469 5.583 1.00 59.85 C ATOM 57 O4 DT F 14 6.581 6.190 6.729 1.00 65.01 O ATOM 58 C5 DT F 14 8.344 6.283 5.142 1.00 56.48 C ATOM 59 C7 DT F 14 9.333 5.684 6.091 1.00 53.51 C ATOM 60 C6 DT F 14 8.656 6.654 3.895 1.00 56.89 C ATOM 61 P DA F 15 9.488 10.954 -0.753 1.00 77.40 P ATOM 62 OP1 DA F 15 9.915 11.214 -2.160 1.00 74.53 O ATOM 63 OP2 DA F 15 10.342 11.426 0.376 1.00 78.60 O ATOM 64 O5' DA F 15 8.071 11.627 -0.498 1.00 83.38 O ATOM 65 C5' DA F 15 6.896 11.189 -1.188 1.00 81.82 C ATOM 66 C4' DA F 15 5.691 11.888 -0.613 1.00 80.16 C ATOM 67 O4' DA F 15 5.284 11.244 0.621 1.00 82.31 O ATOM 68 C3' DA F 15 6.026 13.328 -0.249 1.00 80.31 C ATOM 69 O3' DA F 15 5.015 14.211 -0.684 1.00 84.99 O ATOM 70 C2' DA F 15 6.187 13.306 1.262 1.00 80.58 C ATOM 71 C1' DA F 15 5.265 12.182 1.690 1.00 83.34 C ATOM 72 N9 DA F 15 5.650 11.468 2.915 1.00 86.11 N ATOM 73 C8 DA F 15 6.907 11.087 3.351 1.00 86.89 C ATOM 74 N7 DA F 15 6.892 10.404 4.476 1.00 83.48 N ATOM 75 C5 DA F 15 5.547 10.342 4.811 1.00 82.99 C ATOM 76 C6 DA F 15 4.870 9.749 5.889 1.00 83.43 C ATOM 77 N6 DA F 15 5.477 9.095 6.872 1.00 84.00 N ATOM 78 N1 DA F 15 3.526 9.859 5.925 1.00 85.59 N ATOM 79 C2 DA F 15 2.912 10.538 4.944 1.00 88.67 C ATOM 80 N3 DA F 15 3.437 11.150 3.880 1.00 86.28 N ATOM 81 C4 DA F 15 4.772 11.007 3.869 1.00 86.38 C ATOM 82 P DT F 16 5.327 15.781 -0.752 1.00 92.23 P ATOM 83 OP1 DT F 16 4.742 16.300 -2.022 1.00 92.13 O ATOM 84 OP2 DT F 16 6.777 15.995 -0.471 1.00 90.33 O ATOM 85 O5' DT F 16 4.491 16.329 0.487 1.00 90.65 O ATOM 86 C5' DT F 16 4.326 15.505 1.622 1.00 89.99 C ATOM 87 C4' DT F 16 3.146 15.948 2.440 1.00 91.66 C ATOM 88 O4' DT F 16 2.999 14.924 3.454 1.00 91.33 O ATOM 89 C3' DT F 16 3.394 17.266 3.170 1.00 93.14 C ATOM 90 O3' DT F 16 2.209 18.078 3.218 1.00101.72 O ATOM 91 C2' DT F 16 3.851 16.833 4.551 1.00 90.61 C ATOM 92 C1' DT F 16 3.237 15.449 4.747 1.00 87.22 C ATOM 93 N1 DT F 16 4.117 14.496 5.494 1.00 83.24 N ATOM 94 C2 DT F 16 3.541 13.639 6.414 1.00 81.98 C ATOM 95 O2 DT F 16 2.337 13.542 6.586 1.00 86.53 O ATOM 96 N3 DT F 16 4.434 12.892 7.141 1.00 77.26 N ATOM 97 C4 DT F 16 5.805 12.902 7.051 1.00 74.97 C ATOM 98 O4 DT F 16 6.465 12.212 7.817 1.00 68.68 O ATOM 99 C5 DT F 16 6.348 13.776 6.029 1.00 76.65 C ATOM 100 C7 DT F 16 7.830 13.831 5.830 1.00 75.33 C ATOM 101 C6 DT F 16 5.489 14.507 5.304 1.00 79.97 C ATOM 102 P DA F 17 2.125 19.333 4.239 1.00107.80 P ATOM 103 OP1 DA F 17 1.169 20.335 3.693 1.00104.19 O ATOM 104 OP2 DA F 17 3.507 19.765 4.618 1.00108.21 O ATOM 105 O5' DA F 17 1.444 18.690 5.527 1.00103.08 O ATOM 106 C5' DA F 17 0.087 18.246 5.496 1.00 97.54 C ATOM 107 C4' DA F 17 -0.413 18.024 6.903 1.00 96.15 C ATOM 108 O4' DA F 17 0.257 16.855 7.438 1.00 96.29 O ATOM 109 C3' DA F 17 -0.068 19.190 7.836 1.00 97.42 C ATOM 110 O3' DA F 17 -1.104 19.561 8.728 1.00 96.45 O ATOM 111 C2' DA F 17 1.061 18.661 8.685 1.00 99.99 C ATOM 112 C1' DA F 17 0.865 17.166 8.685 1.00 97.61 C ATOM 113 N9 DA F 17 2.183 16.534 8.744 1.00 98.36 N ATOM 114 C8 DA F 17 3.198 16.609 7.817 1.00 97.27 C ATOM 115 N7 DA F 17 4.315 16.048 8.209 1.00 97.03 N ATOM 116 C5 DA F 17 4.010 15.543 9.466 1.00 97.84 C ATOM 117 C6 DA F 17 4.777 14.847 10.420 1.00 97.24 C ATOM 118 N6 DA F 17 6.064 14.526 10.252 1.00 95.94 N ATOM 119 N1 DA F 17 4.168 14.490 11.569 1.00 96.10 N ATOM 120 C2 DA F 17 2.880 14.811 11.743 1.00 96.78 C ATOM 121 N3 DA F 17 2.056 15.464 10.928 1.00 97.97 N ATOM 122 C4 DA F 17 2.691 15.809 9.794 1.00 98.55 C HETATM 123 N1 5IU F 18 2.043 18.954 12.448 1.00 95.05 N HETATM 124 C2 5IU F 18 2.905 18.143 13.153 1.00 92.86 C HETATM 125 N3 5IU F 18 4.122 17.945 12.557 1.00 95.41 N HETATM 126 C4 5IU F 18 4.563 18.479 11.369 1.00100.96 C HETATM 127 C5 5IU F 18 3.614 19.339 10.690 1.00 99.86 C HETATM 128 C6 5IU F 18 2.419 19.525 11.254 1.00 97.00 C HETATM 129 O2 5IU F 18 2.622 17.649 14.234 1.00 85.61 O HETATM 130 O4 5IU F 18 5.692 18.208 10.967 1.00105.16 O HETATM 131 I5 5IU F 18 4.089 20.255 8.936 1.00115.12 I HETATM 132 C1' 5IU F 18 0.701 19.182 13.038 1.00 98.98 C HETATM 133 C2' 5IU F 18 0.211 20.618 13.099 1.00100.05 C HETATM 134 C3' 5IU F 18 -1.269 20.379 13.332 1.00 99.11 C HETATM 135 C4' 5IU F 18 -1.555 19.123 12.497 1.00 97.49 C HETATM 136 O3' 5IU F 18 -1.485 20.107 14.720 1.00102.07 O HETATM 137 O4' 5IU F 18 -0.272 18.493 12.261 1.00100.86 O HETATM 138 C5' 5IU F 18 -2.267 19.414 11.201 1.00 93.15 C HETATM 139 O5' 5IU F 18 -1.940 20.727 10.767 1.00 92.58 O HETATM 140 P 5IU F 18 -1.000 20.961 9.509 1.00 93.60 P HETATM 141 OP1 5IU F 18 -1.613 21.987 8.628 1.00 94.56 O HETATM 142 OP2 5IU F 18 0.371 21.175 10.012 1.00 92.30 O ATOM 143 P DA F 19 -2.268 21.174 15.640 1.00103.63 P ATOM 144 OP1 DA F 19 -3.580 20.551 15.973 1.00103.46 O ATOM 145 OP2 DA F 19 -2.219 22.545 15.049 1.00101.62 O ATOM 146 O5' DA F 19 -1.421 21.182 16.980 1.00103.61 O ATOM 147 C5' DA F 19 -1.212 19.981 17.722 1.00102.52 C ATOM 148 C4' DA F 19 0.108 20.067 18.448 1.00102.17 C ATOM 149 O4' DA F 19 1.200 19.816 17.521 1.00100.44 O ATOM 150 C3' DA F 19 0.355 21.467 19.027 1.00104.73 C ATOM 151 O3' DA F 19 0.935 21.412 20.339 1.00106.95 O ATOM 152 C2' DA F 19 1.336 22.079 18.041 1.00103.44 C ATOM 153 C1' DA F 19 2.149 20.856 17.681 1.00 99.23 C ATOM 154 N9 DA F 19 2.990 20.945 16.485 1.00 93.54 N ATOM 155 C8 DA F 19 2.759 21.602 15.297 1.00 92.98 C ATOM 156 N7 DA F 19 3.757 21.518 14.445 1.00 89.92 N ATOM 157 C5 DA F 19 4.701 20.745 15.113 1.00 87.72 C ATOM 158 C6 DA F 19 5.974 20.285 14.746 1.00 82.11 C ATOM 159 N6 DA F 19 6.528 20.538 13.561 1.00 79.09 N ATOM 160 N1 DA F 19 6.660 19.537 15.644 1.00 77.84 N ATOM 161 C2 DA F 19 6.091 19.260 16.815 1.00 77.45 C ATOM 162 N3 DA F 19 4.896 19.621 17.273 1.00 85.00 N ATOM 163 C4 DA F 19 4.241 20.377 16.366 1.00 90.03 C ATOM 164 P DC F 20 0.776 22.671 21.334 1.00107.20 P ATOM 165 OP1 DC F 20 -0.544 22.553 21.997 1.00109.59 O ATOM 166 OP2 DC F 20 1.171 23.951 20.669 1.00105.88 O ATOM 167 O5' DC F 20 1.849 22.402 22.458 1.00106.13 O ATOM 168 C5' DC F 20 2.193 21.084 22.837 1.00103.18 C ATOM 169 C4' DC F 20 3.656 21.045 23.202 1.00 97.71 C ATOM 170 O4' DC F 20 4.467 20.993 22.012 1.00 96.66 O ATOM 171 C3' DC F 20 4.117 22.285 23.960 1.00 95.54 C ATOM 172 O3' DC F 20 4.952 21.901 25.030 1.00 93.76 O ATOM 173 C2' DC F 20 4.893 23.086 22.929 1.00 92.93 C ATOM 174 C1' DC F 20 5.480 21.976 22.089 1.00 93.53 C ATOM 175 N1 DC F 20 5.892 22.296 20.709 1.00 90.62 N ATOM 176 C2 DC F 20 7.161 21.865 20.268 1.00 87.04 C ATOM 177 O2 DC F 20 7.905 21.249 21.057 1.00 90.23 O ATOM 178 N3 DC F 20 7.536 22.116 19.000 1.00 82.21 N ATOM 179 C4 DC F 20 6.709 22.746 18.173 1.00 79.41 C ATOM 180 N4 DC F 20 7.113 22.928 16.924 1.00 76.41 N ATOM 181 C5 DC F 20 5.425 23.209 18.591 1.00 82.68 C ATOM 182 C6 DC F 20 5.061 22.972 19.858 1.00 87.17 C HETATM 183 N1 5IU F 21 8.898 24.911 22.168 1.00 93.46 N HETATM 184 C2 5IU F 21 9.597 24.679 21.012 1.00 92.95 C HETATM 185 N3 5IU F 21 8.988 25.131 19.873 1.00 96.51 N HETATM 186 C4 5IU F 21 7.780 25.792 19.777 1.00103.69 C HETATM 187 C5 5IU F 21 7.108 26.018 21.025 1.00105.90 C HETATM 188 C6 5IU F 21 7.686 25.571 22.151 1.00101.51 C HETATM 189 O2 5IU F 21 10.676 24.115 20.993 1.00 89.52 O HETATM 190 O4 5IU F 21 7.352 26.147 18.679 1.00103.25 O HETATM 191 I5 5IU F 21 5.351 27.014 21.068 1.00128.45 I HETATM 192 C1' 5IU F 21 9.507 24.396 23.405 1.00 90.99 C HETATM 193 C2' 5IU F 21 9.307 25.168 24.695 1.00 89.18 C HETATM 194 C3' 5IU F 21 9.598 24.084 25.724 1.00 89.17 C HETATM 195 C4' 5IU F 21 9.084 22.810 25.054 1.00 91.43 C HETATM 196 O3' 5IU F 21 11.006 23.946 25.941 1.00 85.73 O HETATM 197 O4' 5IU F 21 8.958 23.118 23.648 1.00 91.14 O HETATM 198 C5' 5IU F 21 7.795 22.264 25.620 1.00 95.77 C HETATM 199 O5' 5IU F 21 6.847 23.314 25.809 1.00 98.49 O HETATM 200 P 5IU F 21 5.324 22.982 26.139 1.00 96.89 P HETATM 201 OP1 5IU F 21 5.213 22.288 27.450 1.00 93.94 O HETATM 202 OP2 5IU F 21 4.535 24.222 25.882 1.00 92.27 O ATOM 203 P DA F 22 11.568 23.797 27.438 1.00 83.13 P ATOM 204 OP1 DA F 22 10.821 22.730 28.167 1.00 83.29 O ATOM 205 OP2 DA F 22 11.688 25.158 28.030 1.00 87.63 O ATOM 206 O5' DA F 22 13.032 23.252 27.227 1.00 77.83 O ATOM 207 C5' DA F 22 13.234 21.960 26.700 1.00 72.38 C ATOM 208 C4' DA F 22 14.259 22.017 25.596 1.00 66.87 C ATOM 209 O4' DA F 22 13.789 22.881 24.542 1.00 67.18 O ATOM 210 C3' DA F 22 15.632 22.549 25.979 1.00 64.67 C ATOM 211 O3' DA F 22 16.539 21.779 25.212 1.00 63.77 O ATOM 212 C2' DA F 22 15.577 24.009 25.548 1.00 62.05 C ATOM 213 C1' DA F 22 14.680 23.956 24.330 1.00 64.09 C ATOM 214 N9 DA F 22 13.843 25.123 24.079 1.00 66.18 N ATOM 215 C8 DA F 22 13.047 25.812 24.956 1.00 65.58 C ATOM 216 N7 DA F 22 12.331 26.754 24.390 1.00 67.36 N ATOM 217 C5 DA F 22 12.703 26.696 23.053 1.00 69.09 C ATOM 218 C6 DA F 22 12.302 27.431 21.917 1.00 71.11 C ATOM 219 N6 DA F 22 11.399 28.412 21.952 1.00 70.55 N ATOM 220 N1 DA F 22 12.871 27.113 20.725 1.00 71.64 N ATOM 221 C2 DA F 22 13.772 26.121 20.689 1.00 70.45 C ATOM 222 N3 DA F 22 14.228 25.364 21.686 1.00 71.14 N ATOM 223 C4 DA F 22 13.648 25.707 22.852 1.00 68.18 C ATOM 224 P DG F 23 18.115 21.970 25.376 1.00 62.00 P ATOM 225 OP1 DG F 23 18.740 20.618 25.501 1.00 59.53 O ATOM 226 OP2 DG F 23 18.383 23.023 26.390 1.00 58.40 O ATOM 227 O5' DG F 23 18.512 22.517 23.953 1.00 59.16 O ATOM 228 C5' DG F 23 19.342 23.623 23.850 1.00 64.39 C ATOM 229 C4' DG F 23 19.441 24.054 22.414 1.00 64.89 C ATOM 230 O4' DG F 23 18.228 24.738 22.021 1.00 66.04 O ATOM 231 C3' DG F 23 20.563 25.069 22.301 1.00 64.35 C ATOM 232 O3' DG F 23 21.352 24.861 21.154 1.00 60.67 O ATOM 233 C2' DG F 23 19.877 26.419 22.326 1.00 65.57 C ATOM 234 C1' DG F 23 18.479 26.136 21.815 1.00 67.26 C ATOM 235 N9 DG F 23 17.476 26.879 22.575 1.00 66.29 N ATOM 236 C8 DG F 23 17.284 26.820 23.932 1.00 68.48 C ATOM 237 N7 DG F 23 16.313 27.582 24.342 1.00 70.74 N ATOM 238 C5 DG F 23 15.836 28.183 23.186 1.00 70.83 C ATOM 239 C6 DG F 23 14.785 29.109 23.013 1.00 71.39 C ATOM 240 O6 DG F 23 14.035 29.593 23.878 1.00 71.90 O ATOM 241 N1 DG F 23 14.630 29.461 21.675 1.00 68.14 N ATOM 242 C2 DG F 23 15.388 28.979 20.639 1.00 68.12 C ATOM 243 N2 DG F 23 15.069 29.420 19.419 1.00 65.63 N ATOM 244 N3 DG F 23 16.382 28.119 20.791 1.00 69.57 N ATOM 245 C4 DG F 23 16.548 27.762 22.084 1.00 68.24 C ATOM 246 P DT F 24 22.503 25.900 20.862 1.00 67.82 P ATOM 247 OP1 DT F 24 23.339 25.543 19.677 1.00 62.61 O ATOM 248 OP2 DT F 24 23.133 26.148 22.198 1.00 60.65 O ATOM 249 O5' DT F 24 21.654 27.160 20.435 1.00 64.94 O ATOM 250 C5' DT F 24 20.895 27.121 19.251 1.00 65.23 C ATOM 251 C4' DT F 24 20.573 28.522 18.809 1.00 69.10 C ATOM 252 O4' DT F 24 19.396 28.946 19.539 1.00 68.53 O ATOM 253 C3' DT F 24 21.681 29.524 19.134 1.00 68.56 C ATOM 254 O3' DT F 24 22.245 30.119 17.985 1.00 68.23 O ATOM 255 C2' DT F 24 21.021 30.569 20.018 1.00 68.89 C ATOM 256 C1' DT F 24 19.524 30.294 19.934 1.00 68.84 C ATOM 257 N1 DT F 24 18.843 30.441 21.247 1.00 67.33 N ATOM 258 C2 DT F 24 17.677 31.186 21.333 1.00 66.49 C ATOM 259 O2 DT F 24 17.159 31.744 20.362 1.00 63.85 O ATOM 260 N3 DT F 24 17.145 31.265 22.613 1.00 62.36 N ATOM 261 C4 DT F 24 17.666 30.704 23.779 1.00 57.72 C ATOM 262 O4 DT F 24 17.083 30.855 24.864 1.00 48.42 O ATOM 263 C5 DT F 24 18.895 29.959 23.598 1.00 59.64 C ATOM 264 C7 DT F 24 19.564 29.354 24.786 1.00 57.79 C ATOM 265 C6 DT F 24 19.395 29.850 22.365 1.00 62.48 C ATOM 266 P DA F 25 23.384 31.235 18.159 1.00 70.26 P ATOM 267 OP1 DA F 25 24.045 31.409 16.816 1.00 61.20 O ATOM 268 OP2 DA F 25 24.214 30.962 19.366 1.00 67.90 O ATOM 269 O5' DA F 25 22.503 32.514 18.493 1.00 71.50 O ATOM 270 C5' DA F 25 21.479 32.917 17.595 1.00 69.51 C ATOM 271 C4' DA F 25 20.987 34.299 17.929 1.00 70.14 C ATOM 272 O4' DA F 25 20.023 34.214 19.004 1.00 72.42 O ATOM 273 C3' DA F 25 22.045 35.306 18.369 1.00 71.66 C ATOM 274 O3' DA F 25 21.878 36.514 17.623 1.00 72.24 O ATOM 275 C2' DA F 25 21.760 35.491 19.858 1.00 71.06 C ATOM 276 C1' DA F 25 20.267 35.223 19.957 1.00 70.41 C ATOM 277 N9 DA F 25 19.774 34.731 21.246 1.00 70.73 N ATOM 278 C8 DA F 25 20.259 33.681 21.986 1.00 73.63 C ATOM 279 N7 DA F 25 19.581 33.447 23.089 1.00 74.04 N ATOM 280 C5 DA F 25 18.588 34.415 23.081 1.00 73.82 C ATOM 281 C6 DA F 25 17.532 34.707 23.985 1.00 75.14 C ATOM 282 N6 DA F 25 17.305 34.026 25.118 1.00 75.00 N ATOM 283 N1 DA F 25 16.714 35.738 23.679 1.00 73.71 N ATOM 284 C2 DA F 25 16.948 36.425 22.551 1.00 73.31 C ATOM 285 N3 DA F 25 17.907 36.255 21.631 1.00 70.93 N ATOM 286 C4 DA F 25 18.700 35.220 21.955 1.00 71.80 C ATOM 287 P DT F 26 22.994 37.680 17.706 1.00 76.50 P ATOM 288 OP1 DT F 26 23.149 38.247 16.340 1.00 75.66 O ATOM 289 OP2 DT F 26 24.206 37.264 18.468 1.00 69.15 O ATOM 290 O5' DT F 26 22.266 38.786 18.572 1.00 72.25 O ATOM 291 C5' DT F 26 21.423 38.407 19.622 1.00 73.22 C ATOM 292 C4' DT F 26 20.668 39.607 20.104 1.00 79.09 C ATOM 293 O4' DT F 26 19.745 39.170 21.119 1.00 81.73 O ATOM 294 C3' DT F 26 21.571 40.650 20.738 1.00 82.87 C ATOM 295 O3' DT F 26 21.203 41.953 20.300 1.00 88.51 O ATOM 296 C2' DT F 26 21.387 40.440 22.231 1.00 84.99 C ATOM 297 C1' DT F 26 20.038 39.750 22.364 1.00 82.87 C ATOM 298 N1 DT F 26 20.028 38.661 23.354 1.00 82.40 N ATOM 299 C2 DT F 26 18.870 38.453 24.049 1.00 82.28 C ATOM 300 O2 DT F 26 17.850 39.081 23.836 1.00 81.52 O ATOM 301 N3 DT F 26 18.945 37.480 25.010 1.00 84.58 N ATOM 302 C4 DT F 26 20.044 36.708 25.338 1.00 88.35 C ATOM 303 O4 DT F 26 19.970 35.896 26.266 1.00 89.78 O ATOM 304 C5 DT F 26 21.226 36.955 24.534 1.00 88.24 C ATOM 305 C7 DT F 26 22.469 36.166 24.800 1.00 91.81 C ATOM 306 C6 DT F 26 21.153 37.895 23.587 1.00 85.28 C ATOM 307 P DA F 27 21.770 43.234 21.069 1.00 93.08 P ATOM 308 OP1 DA F 27 21.481 44.374 20.182 1.00 94.77 O ATOM 309 OP2 DA F 27 23.162 42.976 21.514 1.00 95.63 O ATOM 310 O5' DA F 27 20.840 43.335 22.356 1.00 96.39 O ATOM 311 C5' DA F 27 19.451 43.648 22.224 1.00100.73 C ATOM 312 C4' DA F 27 18.894 44.115 23.549 1.00102.22 C ATOM 313 O4' DA F 27 18.740 42.985 24.438 1.00103.54 O ATOM 314 C3' DA F 27 19.829 45.085 24.266 1.00102.83 C ATOM 315 O3' DA F 27 19.114 46.056 25.020 1.00102.33 O ATOM 316 C2' DA F 27 20.576 44.187 25.221 1.00103.46 C ATOM 317 C1' DA F 27 19.494 43.207 25.609 1.00101.81 C ATOM 318 N9 DA F 27 20.033 41.930 26.053 1.00100.11 N ATOM 319 C8 DA F 27 20.984 41.141 25.454 1.00 99.80 C ATOM 320 N7 DA F 27 21.310 40.082 26.159 1.00100.00 N ATOM 321 C5 DA F 27 20.503 40.173 27.284 1.00 99.79 C ATOM 322 C6 DA F 27 20.372 39.363 28.421 1.00100.94 C ATOM 323 N6 DA F 27 21.083 38.246 28.622 1.00101.38 N ATOM 324 N1 DA F 27 19.474 39.743 29.359 1.00 99.08 N ATOM 325 C2 DA F 27 18.762 40.859 29.154 1.00 95.62 C ATOM 326 N3 DA F 27 18.797 41.700 28.130 1.00 94.58 N ATOM 327 C4 DA F 27 19.699 41.298 27.222 1.00 98.20 C ATOM 328 P DT F 28 19.883 47.369 25.533 1.00102.97 P ATOM 329 OP1 DT F 28 19.465 48.508 24.678 1.00100.90 O ATOM 330 OP2 DT F 28 21.332 47.055 25.686 1.00102.89 O ATOM 331 O5' DT F 28 19.292 47.595 26.984 1.00 99.77 O ATOM 332 C5' DT F 28 17.910 47.408 27.229 1.00 99.12 C ATOM 333 C4' DT F 28 17.708 47.048 28.677 1.00 97.17 C ATOM 334 O4' DT F 28 18.284 45.743 28.910 1.00 96.83 O ATOM 335 C3' DT F 28 18.435 48.003 29.618 1.00 98.15 C ATOM 336 O3' DT F 28 17.628 48.234 30.776 1.00100.79 O ATOM 337 C2' DT F 28 19.722 47.260 29.947 1.00 95.23 C ATOM 338 C1' DT F 28 19.249 45.819 29.945 1.00 92.93 C ATOM 339 N1 DT F 28 20.266 44.765 29.707 1.00 89.36 N ATOM 340 C2 DT F 28 20.257 43.672 30.545 1.00 88.92 C ATOM 341 O2 DT F 28 19.460 43.529 31.468 1.00 91.32 O ATOM 342 N3 DT F 28 21.215 42.732 30.265 1.00 87.96 N ATOM 343 C4 DT F 28 22.143 42.761 29.250 1.00 86.16 C ATOM 344 O4 DT F 28 22.937 41.830 29.120 1.00 86.35 O ATOM 345 C5 DT F 28 22.090 43.921 28.408 1.00 84.86 C ATOM 346 C7 DT F 28 23.043 44.023 27.261 1.00 86.04 C ATOM 347 C6 DT F 28 21.176 44.860 28.680 1.00 86.69 C ATOM 348 P DA F 29 17.984 49.445 31.767 1.00100.82 P ATOM 349 OP1 DA F 29 16.710 50.012 32.283 1.00102.06 O ATOM 350 OP2 DA F 29 18.995 50.329 31.118 1.00101.02 O ATOM 351 O5' DA F 29 18.668 48.721 32.995 1.00100.41 O ATOM 352 C5' DA F 29 17.921 47.823 33.793 1.00101.51 C ATOM 353 C4' DA F 29 18.826 47.190 34.816 1.00102.22 C ATOM 354 O4' DA F 29 19.695 46.203 34.204 1.00100.57 O ATOM 355 C3' DA F 29 19.746 48.207 35.483 1.00103.35 C ATOM 356 O3' DA F 29 19.817 47.912 36.861 1.00105.59 O ATOM 357 C2' DA F 29 21.095 47.944 34.835 1.00102.91 C ATOM 358 C1' DA F 29 21.023 46.445 34.628 1.00 97.55 C ATOM 359 N9 DA F 29 21.939 45.880 33.638 1.00 92.38 N ATOM 360 C8 DA F 29 22.370 46.419 32.455 1.00 91.72 C ATOM 361 N7 DA F 29 23.220 45.661 31.805 1.00 91.42 N ATOM 362 C5 DA F 29 23.354 44.543 32.616 1.00 93.86 C ATOM 363 C6 DA F 29 24.122 43.362 32.497 1.00 94.03 C ATOM 364 N6 DA F 29 24.955 43.119 31.480 1.00 96.60 N ATOM 365 N1 DA F 29 24.007 42.435 33.479 1.00 92.65 N ATOM 366 C2 DA F 29 23.190 42.686 34.505 1.00 90.21 C ATOM 367 N3 DA F 29 22.431 43.756 34.733 1.00 91.37 N ATOM 368 C4 DA F 29 22.560 44.659 33.741 1.00 92.51 C ATOM 369 P DC F 30 19.834 49.101 37.920 1.00105.47 P ATOM 370 OP1 DC F 30 18.432 49.554 38.073 1.00104.58 O ATOM 371 OP2 DC F 30 20.894 50.069 37.521 1.00104.26 O ATOM 372 O5' DC F 30 20.267 48.351 39.250 1.00104.84 O ATOM 373 C5' DC F 30 19.665 47.102 39.595 1.00104.47 C ATOM 374 C4' DC F 30 20.713 46.129 40.086 1.00102.86 C ATOM 375 O4' DC F 30 21.420 45.505 38.981 1.00101.38 O ATOM 376 C3' DC F 30 21.778 46.782 40.964 1.00103.27 C ATOM 377 O3' DC F 30 21.959 46.075 42.176 1.00102.68 O ATOM 378 C2' DC F 30 23.044 46.719 40.131 1.00100.97 C ATOM 379 C1' DC F 30 22.812 45.508 39.253 1.00 98.63 C ATOM 380 N1 DC F 30 23.548 45.566 37.972 1.00 94.57 N ATOM 381 C2 DC F 30 24.345 44.468 37.593 1.00 89.58 C ATOM 382 O2 DC F 30 24.347 43.452 38.303 1.00 87.36 O ATOM 383 N3 DC F 30 25.086 44.547 36.458 1.00 87.13 N ATOM 384 C4 DC F 30 25.041 45.657 35.708 1.00 88.14 C ATOM 385 N4 DC F 30 25.809 45.719 34.613 1.00 82.80 N ATOM 386 C5 DC F 30 24.208 46.766 36.050 1.00 89.54 C ATOM 387 C6 DC F 30 23.484 46.678 37.176 1.00 91.07 C ATOM 388 P DT F 31 22.804 46.753 43.357 1.00103.84 P ATOM 389 OP1 DT F 31 21.866 46.980 44.488 1.00102.93 O ATOM 390 OP2 DT F 31 23.604 47.892 42.817 1.00100.93 O ATOM 391 O5' DT F 31 23.826 45.601 43.726 1.00100.04 O ATOM 392 C5' DT F 31 24.425 44.860 42.684 1.00 98.80 C ATOM 393 C4' DT F 31 25.340 43.808 43.247 1.00 98.55 C ATOM 394 O4' DT F 31 26.051 43.289 42.102 1.00 96.46 O ATOM 395 C3' DT F 31 26.403 44.377 44.182 1.00 98.96 C ATOM 396 O3' DT F 31 26.910 43.446 45.146 1.00102.36 O ATOM 397 C2' DT F 31 27.508 44.799 43.229 1.00 98.88 C ATOM 398 C1' DT F 31 27.338 43.880 42.011 1.00 94.25 C ATOM 399 N1 DT F 31 27.425 44.595 40.709 1.00 86.97 N ATOM 400 C2 DT F 31 28.167 44.020 39.714 1.00 85.54 C ATOM 401 O2 DT F 31 28.636 42.893 39.793 1.00 83.40 O ATOM 402 N3 DT F 31 28.325 44.804 38.597 1.00 84.27 N ATOM 403 C4 DT F 31 27.796 46.055 38.369 1.00 83.93 C ATOM 404 O4 DT F 31 28.070 46.665 37.329 1.00 82.86 O ATOM 405 C5 DT F 31 26.951 46.552 39.416 1.00 83.81 C ATOM 406 C7 DT F 31 26.259 47.861 39.222 1.00 85.97 C ATOM 407 C6 DT F 31 26.817 45.816 40.522 1.00 82.74 C TER 408 DT F 31 ATOM 409 N LYS A 4 12.428 23.546 37.773 1.00 70.19 N ATOM 410 CA LYS A 4 13.618 24.436 37.967 1.00 71.29 C ATOM 411 C LYS A 4 14.526 24.569 36.732 1.00 72.11 C ATOM 412 O LYS A 4 14.515 23.726 35.823 1.00 71.93 O ATOM 413 CB LYS A 4 14.475 23.944 39.138 1.00 71.30 C ATOM 414 CG LYS A 4 13.803 23.976 40.501 1.00 73.16 C ATOM 415 CD LYS A 4 13.704 22.511 41.033 1.00 75.69 C ATOM 416 CE LYS A 4 14.066 22.422 42.538 1.00 70.42 C ATOM 417 NZ LYS A 4 15.561 22.294 42.769 1.00 67.71 N ATOM 418 N GLU A 5 15.341 25.619 36.743 1.00 70.47 N ATOM 419 CA GLU A 5 16.248 25.893 35.653 1.00 67.98 C ATOM 420 C GLU A 5 17.261 26.886 36.129 1.00 66.89 C ATOM 421 O GLU A 5 16.947 27.778 36.925 1.00 66.97 O ATOM 422 CB GLU A 5 15.496 26.534 34.502 1.00 69.77 C ATOM 423 CG GLU A 5 15.341 25.662 33.308 1.00 74.51 C ATOM 424 CD GLU A 5 13.962 25.843 32.692 1.00 80.52 C ATOM 425 OE1 GLU A 5 12.944 25.469 33.353 1.00 84.92 O ATOM 426 OE2 GLU A 5 13.900 26.377 31.556 1.00 85.27 O ATOM 427 N THR A 6 18.484 26.735 35.658 1.00 62.20 N ATOM 428 CA THR A 6 19.477 27.705 36.014 1.00 61.11 C ATOM 429 C THR A 6 19.778 28.366 34.682 1.00 63.60 C ATOM 430 O THR A 6 19.961 27.687 33.663 1.00 64.67 O ATOM 431 CB THR A 6 20.698 27.025 36.594 1.00 59.11 C ATOM 432 OG1 THR A 6 20.278 26.222 37.692 1.00 56.26 O ATOM 433 CG2 THR A 6 21.716 28.039 37.086 1.00 57.46 C ATOM 434 N LYS A 7 19.759 29.692 34.669 1.00 65.23 N ATOM 435 CA LYS A 7 20.061 30.424 33.453 1.00 65.51 C ATOM 436 C LYS A 7 21.346 31.139 33.829 1.00 67.50 C ATOM 437 O LYS A 7 21.484 31.612 34.956 1.00 68.69 O ATOM 438 CB LYS A 7 18.967 31.451 33.153 1.00 66.76 C ATOM 439 CG LYS A 7 17.548 31.073 33.616 1.00 67.52 C ATOM 440 CD LYS A 7 16.770 30.150 32.642 1.00 65.94 C ATOM 441 CE LYS A 7 15.342 29.866 33.164 1.00 62.72 C ATOM 442 NZ LYS A 7 14.347 29.521 32.111 1.00 55.85 N ATOM 443 N HIS A 8 22.296 31.181 32.908 1.00 67.77 N ATOM 444 CA HIS A 8 23.567 31.845 33.129 1.00 64.81 C ATOM 445 C HIS A 8 24.077 32.189 31.753 1.00 63.31 C ATOM 446 O HIS A 8 24.173 31.321 30.876 1.00 65.36 O ATOM 447 CB HIS A 8 24.554 30.903 33.810 1.00 66.24 C ATOM 448 CG HIS A 8 25.913 31.505 34.016 1.00 71.48 C ATOM 449 ND1 HIS A 8 26.238 32.256 35.133 1.00 70.37 N ATOM 450 CD2 HIS A 8 27.024 31.484 33.243 1.00 71.57 C ATOM 451 CE1 HIS A 8 27.491 32.661 35.032 1.00 72.70 C ATOM 452 NE2 HIS A 8 27.992 32.208 33.898 1.00 72.76 N ATOM 453 N LEU A 9 24.357 33.452 31.505 1.00 62.41 N ATOM 454 CA LEU A 9 24.881 33.724 30.181 1.00 64.81 C ATOM 455 C LEU A 9 26.351 33.944 30.366 1.00 64.49 C ATOM 456 O LEU A 9 26.765 34.686 31.265 1.00 65.42 O ATOM 457 CB LEU A 9 24.245 34.957 29.512 1.00 61.76 C ATOM 458 CG LEU A 9 24.804 36.311 29.896 1.00 54.77 C ATOM 459 CD1 LEU A 9 24.166 37.393 29.064 1.00 49.23 C ATOM 460 CD2 LEU A 9 24.552 36.490 31.383 1.00 51.42 C ATOM 461 N LEU A 10 27.147 33.265 29.555 1.00 60.12 N ATOM 462 CA LEU A 10 28.559 33.468 29.687 1.00 61.33 C ATOM 463 C LEU A 10 29.070 34.201 28.501 1.00 61.49 C ATOM 464 O LEU A 10 28.456 34.212 27.438 1.00 62.61 O ATOM 465 CB LEU A 10 29.321 32.163 29.818 1.00 56.29 C ATOM 466 CG LEU A 10 28.915 31.024 28.926 1.00 48.38 C ATOM 467 CD1 LEU A 10 30.096 30.155 28.605 1.00 40.61 C ATOM 468 CD2 LEU A 10 27.847 30.271 29.674 1.00 54.06 C ATOM 469 N LYS A 11 30.221 34.810 28.689 1.00 60.63 N ATOM 470 CA LYS A 11 30.816 35.557 27.631 1.00 60.78 C ATOM 471 C LYS A 11 32.260 35.130 27.648 1.00 61.63 C ATOM 472 O LYS A 11 32.902 35.144 28.708 1.00 62.79 O ATOM 473 CB LYS A 11 30.688 37.053 27.944 1.00 63.49 C ATOM 474 CG LYS A 11 29.510 37.433 28.842 1.00 64.88 C ATOM 475 CD LYS A 11 29.092 38.886 28.592 1.00 67.80 C ATOM 476 CE LYS A 11 27.831 39.242 29.384 1.00 71.35 C ATOM 477 NZ LYS A 11 27.209 40.546 28.948 1.00 71.84 N ATOM 478 N ILE A 12 32.771 34.696 26.504 1.00 61.66 N ATOM 479 CA ILE A 12 34.180 34.322 26.453 1.00 61.42 C ATOM 480 C ILE A 12 34.783 35.319 25.492 1.00 64.02 C ATOM 481 O ILE A 12 34.245 35.531 24.387 1.00 62.55 O ATOM 482 CB ILE A 12 34.417 32.838 25.967 1.00 54.27 C ATOM 483 CG1 ILE A 12 34.115 31.808 27.083 1.00 47.31 C ATOM 484 CG2 ILE A 12 35.884 32.655 25.591 1.00 53.14 C ATOM 485 CD1 ILE A 12 32.739 31.966 27.773 1.00 45.66 C ATOM 486 N LYS A 13 35.861 35.962 25.927 1.00 68.12 N ATOM 487 CA LYS A 13 36.471 36.943 25.072 1.00 74.93 C ATOM 488 C LYS A 13 37.578 36.389 24.214 1.00 80.23 C ATOM 489 O LYS A 13 38.524 35.766 24.703 1.00 83.16 O ATOM 490 CB LYS A 13 37.000 38.088 25.888 1.00 76.64 C ATOM 491 CG LYS A 13 36.271 39.379 25.592 1.00 78.93 C ATOM 492 CD LYS A 13 36.631 40.432 26.617 1.00 79.77 C ATOM 493 CE LYS A 13 36.187 39.998 27.988 1.00 81.74 C ATOM 494 NZ LYS A 13 36.834 40.787 29.039 1.00 85.05 N ATOM 495 N LYS A 14 37.421 36.604 22.917 1.00 83.25 N ATOM 496 CA LYS A 14 38.376 36.194 21.903 1.00 86.57 C ATOM 497 C LYS A 14 39.836 36.250 22.400 1.00 90.84 C ATOM 498 O LYS A 14 40.582 35.267 22.326 1.00 92.39 O ATOM 499 CB LYS A 14 38.188 37.134 20.709 1.00 84.65 C ATOM 500 CG LYS A 14 39.054 36.870 19.540 1.00 80.12 C ATOM 501 CD LYS A 14 38.703 35.567 18.952 1.00 84.56 C ATOM 502 CE LYS A 14 39.176 35.546 17.519 1.00 86.70 C ATOM 503 NZ LYS A 14 38.946 34.196 16.928 1.00 92.03 N ATOM 504 N GLU A 15 40.211 37.406 22.941 1.00 94.50 N ATOM 505 CA GLU A 15 41.568 37.661 23.397 1.00 97.05 C ATOM 506 C GLU A 15 42.040 36.893 24.615 1.00 97.13 C ATOM 507 O GLU A 15 43.128 36.318 24.628 1.00 96.05 O ATOM 508 CB GLU A 15 41.762 39.142 23.682 1.00101.50 C ATOM 509 CG GLU A 15 43.261 39.495 23.837 1.00110.46 C ATOM 510 CD GLU A 15 43.628 40.891 23.350 1.00114.63 C ATOM 511 OE1 GLU A 15 42.841 41.836 23.571 1.00115.14 O ATOM 512 OE2 GLU A 15 44.716 41.043 22.754 1.00119.10 O ATOM 513 N ASP A 16 41.228 36.897 25.657 1.00 97.91 N ATOM 514 CA ASP A 16 41.611 36.232 26.879 1.00 98.27 C ATOM 515 C ASP A 16 41.694 34.734 26.818 1.00 99.66 C ATOM 516 O ASP A 16 42.616 34.153 27.366 1.00101.34 O ATOM 517 CB ASP A 16 40.702 36.706 27.997 1.00 96.54 C ATOM 518 CG ASP A 16 40.844 38.182 28.222 1.00 97.11 C ATOM 519 OD1 ASP A 16 41.979 38.617 28.505 1.00 96.97 O ATOM 520 OD2 ASP A 16 39.837 38.902 28.104 1.00 98.25 O ATOM 521 N TYR A 17 40.750 34.103 26.142 1.00100.57 N ATOM 522 CA TYR A 17 40.750 32.654 26.025 1.00100.07 C ATOM 523 C TYR A 17 40.380 32.347 24.583 1.00 94.70 C ATOM 524 O TYR A 17 39.243 32.014 24.295 1.00 94.51 O ATOM 525 CB TYR A 17 39.706 32.030 26.962 1.00105.22 C ATOM 526 CG TYR A 17 39.591 32.681 28.325 1.00110.36 C ATOM 527 CD1 TYR A 17 38.878 33.859 28.496 1.00111.92 C ATOM 528 CD2 TYR A 17 40.148 32.085 29.452 1.00113.66 C ATOM 529 CE1 TYR A 17 38.711 34.422 29.761 1.00114.24 C ATOM 530 CE2 TYR A 17 39.987 32.641 30.719 1.00116.11 C ATOM 531 CZ TYR A 17 39.263 33.807 30.863 1.00114.91 C ATOM 532 OH TYR A 17 39.056 34.342 32.111 1.00114.52 O ATOM 533 N PRO A 18 41.334 32.477 23.652 1.00 89.71 N ATOM 534 CA PRO A 18 41.077 32.212 22.234 1.00 85.80 C ATOM 535 C PRO A 18 40.431 30.858 21.983 1.00 83.32 C ATOM 536 O PRO A 18 39.308 30.803 21.514 1.00 83.23 O ATOM 537 CB PRO A 18 42.464 32.328 21.606 1.00 86.89 C ATOM 538 CG PRO A 18 43.355 31.831 22.698 1.00 89.56 C ATOM 539 CD PRO A 18 42.781 32.559 23.899 1.00 87.40 C ATOM 540 N GLN A 19 41.140 29.776 22.311 1.00 82.25 N ATOM 541 CA GLN A 19 40.649 28.396 22.115 1.00 81.38 C ATOM 542 C GLN A 19 39.182 28.166 22.521 1.00 75.29 C ATOM 543 O GLN A 19 38.413 27.564 21.768 1.00 74.76 O ATOM 544 CB GLN A 19 41.515 27.393 22.884 1.00 89.55 C ATOM 545 CG GLN A 19 42.716 28.021 23.532 1.00 96.98 C ATOM 546 CD GLN A 19 43.986 27.568 22.875 1.00100.28 C ATOM 547 OE1 GLN A 19 44.939 28.331 22.757 1.00104.83 O ATOM 548 NE2 GLN A 19 44.015 26.307 22.451 1.00101.13 N ATOM 549 N ILE A 20 38.790 28.589 23.719 1.00 70.72 N ATOM 550 CA ILE A 20 37.389 28.414 24.098 1.00 63.48 C ATOM 551 C ILE A 20 36.530 29.210 23.098 1.00 63.10 C ATOM 552 O ILE A 20 35.697 28.640 22.413 1.00 64.93 O ATOM 553 CB ILE A 20 37.168 28.858 25.550 1.00 58.94 C ATOM 554 CG1 ILE A 20 37.772 27.810 26.476 1.00 54.22 C ATOM 555 CG2 ILE A 20 35.717 28.998 25.860 1.00 51.26 C ATOM 556 CD1 ILE A 20 37.529 28.049 27.906 1.00 56.29 C ATOM 557 N PHE A 21 36.743 30.516 22.991 1.00 60.69 N ATOM 558 CA PHE A 21 36.017 31.330 22.015 1.00 58.04 C ATOM 559 C PHE A 21 35.846 30.544 20.722 1.00 58.73 C ATOM 560 O PHE A 21 34.757 30.106 20.363 1.00 56.83 O ATOM 561 CB PHE A 21 36.818 32.603 21.699 1.00 57.55 C ATOM 562 CG PHE A 21 36.158 33.504 20.704 1.00 57.28 C ATOM 563 CD1 PHE A 21 35.388 34.571 21.138 1.00 60.35 C ATOM 564 CD2 PHE A 21 36.263 33.262 19.334 1.00 58.35 C ATOM 565 CE1 PHE A 21 34.726 35.389 20.227 1.00 62.99 C ATOM 566 CE2 PHE A 21 35.602 34.073 18.410 1.00 58.07 C ATOM 567 CZ PHE A 21 34.832 35.137 18.859 1.00 60.16 C ATOM 568 N ASP A 22 36.963 30.373 20.036 1.00 61.92 N ATOM 569 CA ASP A 22 37.035 29.674 18.762 1.00 66.64 C ATOM 570 C ASP A 22 36.197 28.403 18.726 1.00 67.59 C ATOM 571 O ASP A 22 35.603 28.033 17.710 1.00 70.70 O ATOM 572 CB ASP A 22 38.496 29.353 18.485 1.00 70.04 C ATOM 573 CG ASP A 22 38.697 28.558 17.225 1.00 75.06 C ATOM 574 OD1 ASP A 22 38.040 27.499 17.074 1.00 73.07 O ATOM 575 OD2 ASP A 22 39.528 28.997 16.396 1.00 78.51 O ATOM 576 N PHE A 23 36.163 27.718 19.847 1.00 67.14 N ATOM 577 CA PHE A 23 35.393 26.495 19.945 1.00 65.38 C ATOM 578 C PHE A 23 33.908 26.776 19.759 1.00 64.43 C ATOM 579 O PHE A 23 33.328 26.462 18.727 1.00 63.13 O ATOM 580 CB PHE A 23 35.621 25.877 21.323 1.00 66.57 C ATOM 581 CG PHE A 23 34.890 24.612 21.532 1.00 66.34 C ATOM 582 CD1 PHE A 23 35.149 23.523 20.718 1.00 64.66 C ATOM 583 CD2 PHE A 23 33.953 24.487 22.556 1.00 69.19 C ATOM 584 CE1 PHE A 23 34.486 22.323 20.907 1.00 65.94 C ATOM 585 CE2 PHE A 23 33.279 23.283 22.756 1.00 67.73 C ATOM 586 CZ PHE A 23 33.552 22.193 21.933 1.00 66.65 C ATOM 587 N LEU A 24 33.313 27.378 20.785 1.00 63.00 N ATOM 588 CA LEU A 24 31.891 27.687 20.806 1.00 62.91 C ATOM 589 C LEU A 24 31.438 28.315 19.533 1.00 61.83 C ATOM 590 O LEU A 24 30.319 28.096 19.073 1.00 58.77 O ATOM 591 CB LEU A 24 31.542 28.646 21.956 1.00 63.75 C ATOM 592 CG LEU A 24 31.512 28.161 23.413 1.00 62.49 C ATOM 593 CD1 LEU A 24 31.011 26.715 23.511 1.00 64.20 C ATOM 594 CD2 LEU A 24 32.882 28.225 23.964 1.00 66.26 C ATOM 595 N GLU A 25 32.325 29.110 18.968 1.00 62.19 N ATOM 596 CA GLU A 25 31.994 29.808 17.761 1.00 64.47 C ATOM 597 C GLU A 25 31.943 28.906 16.525 1.00 64.97 C ATOM 598 O GLU A 25 31.446 29.301 15.479 1.00 65.55 O ATOM 599 CB GLU A 25 32.981 30.954 17.569 1.00 66.53 C ATOM 600 CG GLU A 25 32.352 32.163 16.900 1.00 73.49 C ATOM 601 CD GLU A 25 31.339 32.877 17.784 1.00 75.84 C ATOM 602 OE1 GLU A 25 30.430 32.219 18.346 1.00 74.11 O ATOM 603 OE2 GLU A 25 31.453 34.114 17.903 1.00 78.76 O ATOM 604 N ASN A 26 32.412 27.675 16.641 1.00 66.08 N ATOM 605 CA ASN A 26 32.416 26.813 15.472 1.00 66.06 C ATOM 606 C ASN A 26 32.021 25.367 15.709 1.00 65.83 C ATOM 607 O ASN A 26 32.626 24.433 15.179 1.00 65.37 O ATOM 608 CB ASN A 26 33.785 26.892 14.836 1.00 67.49 C ATOM 609 CG ASN A 26 34.089 28.275 14.332 1.00 65.81 C ATOM 610 OD1 ASN A 26 33.513 28.730 13.347 1.00 66.67 O ATOM 611 ND2 ASN A 26 34.986 28.964 15.015 1.00 71.10 N ATOM 612 N VAL A 27 30.983 25.203 16.507 1.00 64.77 N ATOM 613 CA VAL A 27 30.446 23.910 16.842 1.00 62.35 C ATOM 614 C VAL A 27 29.180 23.798 15.998 1.00 63.06 C ATOM 615 O VAL A 27 28.576 24.816 15.661 1.00 62.37 O ATOM 616 CB VAL A 27 30.131 23.909 18.325 1.00 61.44 C ATOM 617 CG1 VAL A 27 29.082 22.889 18.650 1.00 68.22 C ATOM 618 CG2 VAL A 27 31.400 23.647 19.090 1.00 60.41 C ATOM 619 N PRO A 28 28.758 22.570 15.633 1.00 62.88 N ATOM 620 CA PRO A 28 27.547 22.439 14.821 1.00 62.01 C ATOM 621 C PRO A 28 26.314 23.102 15.422 1.00 64.71 C ATOM 622 O PRO A 28 26.172 23.232 16.642 1.00 68.36 O ATOM 623 CB PRO A 28 27.379 20.935 14.694 1.00 57.99 C ATOM 624 CG PRO A 28 28.767 20.433 14.762 1.00 60.24 C ATOM 625 CD PRO A 28 29.370 21.248 15.854 1.00 62.75 C ATOM 626 N ARG A 29 25.417 23.510 14.540 1.00 64.51 N ATOM 627 CA ARG A 29 24.186 24.161 14.926 1.00 65.06 C ATOM 628 C ARG A 29 23.350 23.416 15.972 1.00 62.62 C ATOM 629 O ARG A 29 22.946 22.273 15.764 1.00 60.45 O ATOM 630 CB ARG A 29 23.353 24.411 13.661 1.00 72.65 C ATOM 631 CG ARG A 29 23.722 25.703 12.962 1.00 82.40 C ATOM 632 CD ARG A 29 23.497 26.821 13.971 1.00 92.19 C ATOM 633 NE ARG A 29 24.422 27.940 13.845 1.00101.81 N ATOM 634 CZ ARG A 29 24.541 28.902 14.757 1.00107.36 C ATOM 635 NH1 ARG A 29 23.792 28.870 15.855 1.00108.78 N ATOM 636 NH2 ARG A 29 25.404 29.896 14.571 1.00112.10 N ATOM 637 N GLY A 30 23.098 24.060 17.105 1.00 59.73 N ATOM 638 CA GLY A 30 22.260 23.442 18.113 1.00 57.77 C ATOM 639 C GLY A 30 22.967 22.471 19.021 1.00 61.23 C ATOM 640 O GLY A 30 22.322 21.609 19.632 1.00 59.08 O ATOM 641 N THR A 31 24.286 22.635 19.129 1.00 63.20 N ATOM 642 CA THR A 31 25.139 21.784 19.954 1.00 60.58 C ATOM 643 C THR A 31 25.815 22.532 21.104 1.00 62.74 C ATOM 644 O THR A 31 26.405 21.925 21.999 1.00 63.15 O ATOM 645 CB THR A 31 26.221 21.182 19.120 1.00 59.05 C ATOM 646 OG1 THR A 31 25.676 20.812 17.860 1.00 54.93 O ATOM 647 CG2 THR A 31 26.763 19.964 19.798 1.00 66.80 C ATOM 648 N LYS A 32 25.745 23.855 21.070 1.00 62.14 N ATOM 649 CA LYS A 32 26.348 24.652 22.114 1.00 64.52 C ATOM 650 C LYS A 32 25.852 24.215 23.505 1.00 63.94 C ATOM 651 O LYS A 32 26.651 23.840 24.367 1.00 65.94 O ATOM 652 CB LYS A 32 26.069 26.151 21.870 1.00 68.26 C ATOM 653 CG LYS A 32 26.938 26.776 20.798 1.00 68.36 C ATOM 654 CD LYS A 32 26.521 28.196 20.417 1.00 70.46 C ATOM 655 CE LYS A 32 27.315 29.255 21.165 1.00 73.31 C ATOM 656 NZ LYS A 32 27.408 30.540 20.408 1.00 72.98 N ATOM 657 N THR A 33 24.552 24.250 23.747 1.00 62.30 N ATOM 658 CA THR A 33 24.094 23.840 25.064 1.00 63.05 C ATOM 659 C THR A 33 24.553 22.403 25.357 1.00 64.35 C ATOM 660 O THR A 33 25.101 22.131 26.440 1.00 60.85 O ATOM 661 CB THR A 33 22.564 23.971 25.179 1.00 65.12 C ATOM 662 OG1 THR A 33 22.205 25.361 25.068 1.00 67.71 O ATOM 663 CG2 THR A 33 22.066 23.414 26.513 1.00 58.82 C ATOM 664 N ALA A 34 24.368 21.497 24.386 1.00 64.45 N ATOM 665 CA ALA A 34 24.778 20.091 24.552 1.00 60.68 C ATOM 666 C ALA A 34 26.233 20.003 24.945 1.00 59.44 C ATOM 667 O ALA A 34 26.564 19.400 25.955 1.00 61.01 O ATOM 668 CB ALA A 34 24.564 19.303 23.274 1.00 60.71 C ATOM 669 N HIS A 35 27.112 20.599 24.141 1.00 57.65 N ATOM 670 CA HIS A 35 28.551 20.556 24.433 1.00 53.17 C ATOM 671 C HIS A 35 28.912 21.015 25.839 1.00 51.29 C ATOM 672 O HIS A 35 29.529 20.263 26.600 1.00 50.71 O ATOM 673 CB HIS A 35 29.337 21.399 23.426 1.00 49.87 C ATOM 674 CG HIS A 35 29.815 20.634 22.232 1.00 53.10 C ATOM 675 ND1 HIS A 35 29.483 20.976 20.930 1.00 52.15 N ATOM 676 CD2 HIS A 35 30.584 19.521 22.132 1.00 55.16 C ATOM 677 CE1 HIS A 35 30.014 20.108 20.091 1.00 51.68 C ATOM 678 NE2 HIS A 35 30.688 19.211 20.797 1.00 56.86 N ATOM 679 N ILE A 36 28.529 22.244 26.180 1.00 48.48 N ATOM 680 CA ILE A 36 28.854 22.791 27.490 1.00 47.50 C ATOM 681 C ILE A 36 28.313 21.834 28.542 1.00 48.11 C ATOM 682 O ILE A 36 28.982 21.475 29.537 1.00 44.04 O ATOM 683 CB ILE A 36 28.188 24.166 27.706 1.00 45.98 C ATOM 684 CG1 ILE A 36 28.566 25.130 26.596 1.00 42.35 C ATOM 685 CG2 ILE A 36 28.600 24.739 29.052 1.00 46.61 C ATOM 686 CD1 ILE A 36 27.924 26.469 26.774 1.00 43.54 C ATOM 687 N ARG A 37 27.079 21.420 28.300 1.00 49.60 N ATOM 688 CA ARG A 37 26.418 20.521 29.220 1.00 53.32 C ATOM 689 C ARG A 37 27.324 19.287 29.385 1.00 54.62 C ATOM 690 O ARG A 37 27.544 18.810 30.493 1.00 56.68 O ATOM 691 CB ARG A 37 25.026 20.198 28.666 1.00 54.15 C ATOM 692 CG ARG A 37 24.094 19.414 29.567 1.00 50.21 C ATOM 693 CD ARG A 37 22.712 19.328 28.861 1.00 49.99 C ATOM 694 NE ARG A 37 22.793 18.968 27.441 1.00 41.88 N ATOM 695 CZ ARG A 37 21.802 19.136 26.573 1.00 49.61 C ATOM 696 NH1 ARG A 37 20.657 19.654 26.974 1.00 59.46 N ATOM 697 NH2 ARG A 37 21.948 18.817 25.294 1.00 50.03 N ATOM 698 N GLU A 38 27.908 18.821 28.289 1.00 54.10 N ATOM 699 CA GLU A 38 28.799 17.670 28.348 1.00 56.33 C ATOM 700 C GLU A 38 30.061 17.989 29.143 1.00 57.53 C ATOM 701 O GLU A 38 30.432 17.246 30.053 1.00 55.12 O ATOM 702 CB GLU A 38 29.204 17.258 26.945 1.00 61.38 C ATOM 703 CG GLU A 38 30.176 16.106 26.931 1.00 67.19 C ATOM 704 CD GLU A 38 29.639 14.930 27.701 1.00 71.94 C ATOM 705 OE1 GLU A 38 28.415 14.684 27.628 1.00 77.62 O ATOM 706 OE2 GLU A 38 30.431 14.245 28.375 1.00 78.19 O ATOM 707 N ALA A 39 30.703 19.103 28.773 1.00 58.93 N ATOM 708 CA ALA A 39 31.931 19.600 29.397 1.00 58.72 C ATOM 709 C ALA A 39 31.841 19.656 30.911 1.00 60.03 C ATOM 710 O ALA A 39 32.754 19.196 31.623 1.00 59.40 O ATOM 711 CB ALA A 39 32.261 20.982 28.844 1.00 56.55 C ATOM 712 N LEU A 40 30.726 20.207 31.392 1.00 60.04 N ATOM 713 CA LEU A 40 30.497 20.337 32.827 1.00 60.73 C ATOM 714 C LEU A 40 30.311 18.985 33.465 1.00 61.13 C ATOM 715 O LEU A 40 30.965 18.660 34.453 1.00 62.10 O ATOM 716 CB LEU A 40 29.280 21.212 33.105 1.00 61.13 C ATOM 717 CG LEU A 40 29.483 22.686 32.715 1.00 61.47 C ATOM 718 CD1 LEU A 40 28.135 23.374 32.712 1.00 64.31 C ATOM 719 CD2 LEU A 40 30.463 23.394 33.665 1.00 56.89 C ATOM 720 N ARG A 41 29.426 18.194 32.881 1.00 60.00 N ATOM 721 CA ARG A 41 29.152 16.847 33.372 1.00 64.33 C ATOM 722 C ARG A 41 30.456 16.166 33.752 1.00 67.73 C ATOM 723 O ARG A 41 30.640 15.707 34.892 1.00 69.16 O ATOM 724 CB ARG A 41 28.472 16.050 32.277 1.00 67.13 C ATOM 725 CG ARG A 41 28.616 14.544 32.352 1.00 71.25 C ATOM 726 CD ARG A 41 27.326 13.934 31.854 1.00 79.88 C ATOM 727 NE ARG A 41 26.250 14.314 32.777 1.00 90.63 N ATOM 728 CZ ARG A 41 25.070 14.842 32.438 1.00 92.63 C ATOM 729 NH1 ARG A 41 24.764 15.074 31.159 1.00 84.49 N ATOM 730 NH2 ARG A 41 24.198 15.153 33.407 1.00 93.21 N ATOM 731 N ARG A 42 31.364 16.130 32.781 1.00 67.98 N ATOM 732 CA ARG A 42 32.677 15.527 32.949 1.00 65.65 C ATOM 733 C ARG A 42 33.508 16.276 33.954 1.00 64.66 C ATOM 734 O ARG A 42 34.124 15.666 34.816 1.00 61.93 O ATOM 735 CB ARG A 42 33.441 15.512 31.627 1.00 67.34 C ATOM 736 CG ARG A 42 32.762 14.767 30.525 1.00 67.08 C ATOM 737 CD ARG A 42 33.697 14.655 29.344 1.00 68.90 C ATOM 738 NE ARG A 42 33.018 14.062 28.198 1.00 73.39 N ATOM 739 CZ ARG A 42 33.589 13.854 27.021 1.00 72.96 C ATOM 740 NH1 ARG A 42 34.862 14.190 26.836 1.00 75.73 N ATOM 741 NH2 ARG A 42 32.880 13.327 26.032 1.00 71.92 N ATOM 742 N TYR A 43 33.553 17.597 33.817 1.00 60.81 N ATOM 743 CA TYR A 43 34.315 18.403 34.751 1.00 63.23 C ATOM 744 C TYR A 43 33.903 18.001 36.160 1.00 65.59 C ATOM 745 O TYR A 43 34.693 17.424 36.915 1.00 60.79 O ATOM 746 CB TYR A 43 34.022 19.885 34.505 1.00 66.20 C ATOM 747 CG TYR A 43 34.691 20.862 35.459 1.00 66.34 C ATOM 748 CD1 TYR A 43 33.920 21.635 36.318 1.00 67.69 C ATOM 749 CD2 TYR A 43 36.075 21.050 35.470 1.00 62.40 C ATOM 750 CE1 TYR A 43 34.494 22.578 37.169 1.00 69.89 C ATOM 751 CE2 TYR A 43 36.668 22.001 36.322 1.00 65.30 C ATOM 752 CZ TYR A 43 35.863 22.768 37.176 1.00 67.50 C ATOM 753 OH TYR A 43 36.367 23.726 38.053 1.00 57.42 O ATOM 754 N ILE A 44 32.640 18.281 36.483 1.00 68.26 N ATOM 755 CA ILE A 44 32.063 17.964 37.785 1.00 71.84 C ATOM 756 C ILE A 44 32.644 16.719 38.447 1.00 78.41 C ATOM 757 O ILE A 44 33.513 16.838 39.307 1.00 81.71 O ATOM 758 CB ILE A 44 30.540 17.775 37.706 1.00 69.90 C ATOM 759 CG1 ILE A 44 29.839 19.116 37.568 1.00 66.24 C ATOM 760 CG2 ILE A 44 30.036 17.118 38.963 1.00 66.60 C ATOM 761 CD1 ILE A 44 28.344 18.971 37.465 1.00 65.27 C ATOM 762 N GLU A 45 32.191 15.526 38.066 1.00 82.24 N ATOM 763 CA GLU A 45 32.720 14.341 38.732 1.00 89.65 C ATOM 764 C GLU A 45 34.244 14.226 38.736 1.00 93.75 C ATOM 765 O GLU A 45 34.808 13.596 39.631 1.00 91.76 O ATOM 766 CB GLU A 45 32.125 13.082 38.152 1.00 89.74 C ATOM 767 CG GLU A 45 32.428 12.867 36.720 1.00 95.14 C ATOM 768 CD GLU A 45 32.340 11.404 36.365 1.00 98.54 C ATOM 769 OE1 GLU A 45 33.284 10.668 36.741 1.00103.57 O ATOM 770 OE2 GLU A 45 31.335 10.990 35.734 1.00 97.11 O ATOM 771 N GLU A 46 34.909 14.829 37.749 1.00 99.41 N ATOM 772 CA GLU A 46 36.374 14.808 37.695 1.00104.84 C ATOM 773 C GLU A 46 36.874 15.391 38.999 1.00106.82 C ATOM 774 O GLU A 46 37.923 15.008 39.504 1.00106.56 O ATOM 775 CB GLU A 46 36.906 15.662 36.540 1.00107.66 C ATOM 776 CG GLU A 46 36.947 14.952 35.209 1.00116.57 C ATOM 777 CD GLU A 46 37.429 15.843 34.056 1.00122.73 C ATOM 778 OE1 GLU A 46 36.661 16.729 33.617 1.00127.41 O ATOM 779 OE2 GLU A 46 38.576 15.660 33.582 1.00124.40 O ATOM 780 N ILE A 47 36.099 16.329 39.534 1.00110.08 N ATOM 781 CA ILE A 47 36.434 16.988 40.788 1.00114.34 C ATOM 782 C ILE A 47 36.051 16.079 41.960 1.00116.99 C ATOM 783 O ILE A 47 36.780 15.147 42.304 1.00118.32 O ATOM 784 CB ILE A 47 35.674 18.335 40.944 1.00114.28 C ATOM 785 CG1 ILE A 47 35.674 19.118 39.625 1.00111.51 C ATOM 786 CG2 ILE A 47 36.317 19.160 42.054 1.00115.76 C ATOM 787 CD1 ILE A 47 37.022 19.611 39.179 1.00108.53 C ATOM 788 N GLY A 48 34.901 16.355 42.567 1.00118.93 N ATOM 789 CA GLY A 48 34.446 15.554 43.685 1.00122.69 C ATOM 790 C GLY A 48 33.725 14.304 43.222 1.00125.24 C ATOM 791 O GLY A 48 32.509 14.404 42.957 1.00127.16 O TER 792 GLY A 48 ATOM 793 N LYS B 4 36.538 40.318 19.882 1.00 59.61 N ATOM 794 CA LYS B 4 35.107 39.893 19.925 1.00 60.44 C ATOM 795 C LYS B 4 34.758 39.173 21.217 1.00 65.51 C ATOM 796 O LYS B 4 35.564 39.087 22.153 1.00 67.00 O ATOM 797 CB LYS B 4 34.765 38.980 18.734 1.00 56.55 C ATOM 798 CG LYS B 4 34.220 39.755 17.539 1.00 55.88 C ATOM 799 CD LYS B 4 35.092 39.542 16.303 1.00 54.60 C ATOM 800 CE LYS B 4 34.605 40.432 15.134 1.00 58.28 C ATOM 801 NZ LYS B 4 35.236 40.019 13.782 1.00 58.31 N ATOM 802 N GLU B 5 33.550 38.633 21.255 1.00 66.04 N ATOM 803 CA GLU B 5 33.094 37.938 22.424 1.00 63.52 C ATOM 804 C GLU B 5 31.998 37.008 21.956 1.00 65.68 C ATOM 805 O GLU B 5 31.368 37.256 20.933 1.00 66.78 O ATOM 806 CB GLU B 5 32.559 38.951 23.417 1.00 59.59 C ATOM 807 CG GLU B 5 32.470 38.420 24.822 1.00 72.22 C ATOM 808 CD GLU B 5 32.139 39.529 25.822 1.00 79.74 C ATOM 809 OE1 GLU B 5 31.667 40.601 25.343 1.00 85.98 O ATOM 810 OE2 GLU B 5 32.349 39.328 27.060 1.00 84.23 O ATOM 811 N THR B 6 31.799 35.910 22.676 1.00 69.06 N ATOM 812 CA THR B 6 30.746 34.960 22.339 1.00 66.48 C ATOM 813 C THR B 6 29.875 34.932 23.556 1.00 65.38 C ATOM 814 O THR B 6 30.324 34.519 24.617 1.00 66.50 O ATOM 815 CB THR B 6 31.258 33.539 22.164 1.00 65.04 C ATOM 816 OG1 THR B 6 32.460 33.543 21.389 1.00 65.86 O ATOM 817 CG2 THR B 6 30.200 32.705 21.456 1.00 65.46 C ATOM 818 N LYS B 7 28.646 35.399 23.433 1.00 67.29 N ATOM 819 CA LYS B 7 27.750 35.372 24.579 1.00 66.40 C ATOM 820 C LYS B 7 26.907 34.127 24.369 1.00 62.40 C ATOM 821 O LYS B 7 26.727 33.675 23.245 1.00 64.32 O ATOM 822 CB LYS B 7 26.831 36.605 24.604 1.00 70.13 C ATOM 823 CG LYS B 7 27.461 37.929 24.125 1.00 74.96 C ATOM 824 CD LYS B 7 28.420 38.542 25.137 1.00 79.31 C ATOM 825 CE LYS B 7 28.694 40.031 24.801 1.00 83.02 C ATOM 826 NZ LYS B 7 29.414 40.806 25.890 1.00 82.44 N ATOM 827 N HIS B 8 26.429 33.550 25.453 1.00 58.91 N ATOM 828 CA HIS B 8 25.570 32.387 25.366 1.00 58.67 C ATOM 829 C HIS B 8 24.823 32.159 26.667 1.00 60.31 C ATOM 830 O HIS B 8 25.406 32.164 27.764 1.00 60.93 O ATOM 831 CB HIS B 8 26.352 31.136 24.985 1.00 58.80 C ATOM 832 CG HIS B 8 25.476 29.932 24.772 1.00 62.39 C ATOM 833 ND1 HIS B 8 24.935 29.215 25.814 1.00 61.94 N ATOM 834 CD2 HIS B 8 25.022 29.353 23.631 1.00 63.24 C ATOM 835 CE1 HIS B 8 24.183 28.237 25.327 1.00 62.75 C ATOM 836 NE2 HIS B 8 24.219 28.300 24.009 1.00 65.00 N ATOM 837 N LEU B 9 23.516 31.983 26.534 1.00 60.03 N ATOM 838 CA LEU B 9 22.654 31.763 27.681 1.00 62.50 C ATOM 839 C LEU B 9 22.438 30.280 27.843 1.00 63.64 C ATOM 840 O LEU B 9 21.791 29.670 26.983 1.00 62.17 O ATOM 841 CB LEU B 9 21.282 32.423 27.469 1.00 63.37 C ATOM 842 CG LEU B 9 20.197 32.002 28.479 1.00 60.76 C ATOM 843 CD1 LEU B 9 20.607 32.443 29.858 1.00 63.25 C ATOM 844 CD2 LEU B 9 18.867 32.639 28.138 1.00 62.63 C ATOM 845 N LEU B 10 22.966 29.679 28.910 1.00 62.63 N ATOM 846 CA LEU B 10 22.707 28.253 29.062 1.00 62.29 C ATOM 847 C LEU B 10 21.638 27.987 30.109 1.00 61.98 C ATOM 848 O LEU B 10 21.528 28.696 31.120 1.00 60.01 O ATOM 849 CB LEU B 10 23.980 27.464 29.382 1.00 63.40 C ATOM 850 CG LEU B 10 24.772 27.491 30.683 1.00 63.95 C ATOM 851 CD1 LEU B 10 23.930 27.788 31.914 1.00 64.15 C ATOM 852 CD2 LEU B 10 25.403 26.120 30.789 1.00 62.46 C ATOM 853 N LYS B 11 20.816 26.981 29.861 1.00 60.31 N ATOM 854 CA LYS B 11 19.786 26.688 30.832 1.00 57.78 C ATOM 855 C LYS B 11 19.858 25.206 31.119 1.00 58.47 C ATOM 856 O LYS B 11 19.918 24.385 30.201 1.00 58.94 O ATOM 857 CB LYS B 11 18.395 27.046 30.290 1.00 57.72 C ATOM 858 CG LYS B 11 18.277 28.357 29.493 1.00 54.64 C ATOM 859 CD LYS B 11 16.908 28.419 28.791 1.00 52.61 C ATOM 860 CE LYS B 11 16.958 29.285 27.538 1.00 54.27 C ATOM 861 NZ LYS B 11 15.811 29.050 26.600 1.00 52.01 N ATOM 862 N ILE B 12 19.907 24.856 32.395 1.00 59.38 N ATOM 863 CA ILE B 12 19.940 23.452 32.770 1.00 58.69 C ATOM 864 C ILE B 12 18.693 23.134 33.589 1.00 63.39 C ATOM 865 O ILE B 12 18.212 23.972 34.385 1.00 66.27 O ATOM 866 CB ILE B 12 21.225 23.114 33.525 1.00 52.14 C ATOM 867 CG1 ILE B 12 22.341 22.822 32.520 1.00 47.37 C ATOM 868 CG2 ILE B 12 20.997 21.888 34.428 1.00 55.86 C ATOM 869 CD1 ILE B 12 22.287 23.703 31.264 1.00 48.07 C ATOM 870 N LYS B 13 18.152 21.940 33.401 1.00 65.30 N ATOM 871 CA LYS B 13 16.932 21.677 34.094 1.00 73.61 C ATOM 872 C LYS B 13 16.929 20.769 35.282 1.00 79.77 C ATOM 873 O LYS B 13 17.640 19.751 35.348 1.00 81.35 O ATOM 874 CB LYS B 13 15.876 21.211 33.116 1.00 75.34 C ATOM 875 CG LYS B 13 15.411 22.302 32.158 1.00 78.18 C ATOM 876 CD LYS B 13 15.989 22.129 30.747 1.00 84.95 C ATOM 877 CE LYS B 13 17.514 22.021 30.736 1.00 85.31 C ATOM 878 NZ LYS B 13 17.990 21.565 29.395 1.00 90.25 N ATOM 879 N LYS B 14 16.110 21.196 36.236 1.00 85.04 N ATOM 880 CA LYS B 14 15.895 20.486 37.465 1.00 89.80 C ATOM 881 C LYS B 14 15.947 18.983 37.200 1.00 92.43 C ATOM 882 O LYS B 14 16.994 18.356 37.395 1.00 88.46 O ATOM 883 CB LYS B 14 14.524 20.884 38.052 1.00 91.64 C ATOM 884 CG LYS B 14 13.368 20.718 37.046 1.00 91.35 C ATOM 885 CD LYS B 14 12.045 20.346 37.721 1.00 89.67 C ATOM 886 CE LYS B 14 11.008 19.991 36.645 1.00 90.68 C ATOM 887 NZ LYS B 14 9.667 19.680 37.251 1.00 83.71 N ATOM 888 N GLU B 15 14.823 18.440 36.720 1.00 97.97 N ATOM 889 CA GLU B 15 14.663 17.011 36.484 1.00103.15 C ATOM 890 C GLU B 15 15.476 16.399 35.363 1.00103.93 C ATOM 891 O GLU B 15 15.774 15.201 35.396 1.00104.95 O ATOM 892 CB GLU B 15 13.196 16.669 36.267 1.00106.91 C ATOM 893 CG GLU B 15 12.620 17.140 34.968 1.00112.32 C ATOM 894 CD GLU B 15 11.417 16.319 34.607 1.00115.73 C ATOM 895 OE1 GLU B 15 10.851 16.507 33.513 1.00116.22 O ATOM 896 OE2 GLU B 15 11.052 15.459 35.431 1.00119.08 O ATOM 897 N ASP B 16 15.862 17.207 34.385 1.00103.73 N ATOM 898 CA ASP B 16 16.647 16.678 33.282 1.00103.88 C ATOM 899 C ASP B 16 18.084 16.326 33.651 1.00104.08 C ATOM 900 O ASP B 16 18.531 15.210 33.385 1.00103.62 O ATOM 901 CB ASP B 16 16.576 17.632 32.099 1.00104.81 C ATOM 902 CG ASP B 16 15.203 17.625 31.462 1.00104.47 C ATOM 903 OD1 ASP B 16 14.697 16.508 31.221 1.00103.88 O ATOM 904 OD2 ASP B 16 14.637 18.715 31.212 1.00103.64 O ATOM 905 N TYR B 17 18.798 17.242 34.291 1.00103.01 N ATOM 906 CA TYR B 17 20.174 16.965 34.683 1.00101.65 C ATOM 907 C TYR B 17 20.348 17.579 36.059 1.00 97.48 C ATOM 908 O TYR B 17 20.785 18.718 36.192 1.00 97.56 O ATOM 909 CB TYR B 17 21.171 17.586 33.694 1.00106.73 C ATOM 910 CG TYR B 17 20.715 17.618 32.238 1.00111.76 C ATOM 911 CD1 TYR B 17 19.831 18.598 31.782 1.00114.40 C ATOM 912 CD2 TYR B 17 21.202 16.693 31.308 1.00113.07 C ATOM 913 CE1 TYR B 17 19.458 18.656 30.439 1.00114.90 C ATOM 914 CE2 TYR B 17 20.830 16.746 29.976 1.00114.00 C ATOM 915 CZ TYR B 17 19.963 17.725 29.549 1.00115.68 C ATOM 916 OH TYR B 17 19.607 17.780 28.225 1.00116.59 O ATOM 917 N PRO B 18 20.001 16.818 37.109 1.00 91.27 N ATOM 918 CA PRO B 18 20.082 17.220 38.511 1.00 87.37 C ATOM 919 C PRO B 18 21.460 17.654 39.011 1.00 84.60 C ATOM 920 O PRO B 18 21.641 18.792 39.459 1.00 84.20 O ATOM 921 CB PRO B 18 19.586 15.978 39.241 1.00 85.46 C ATOM 922 CG PRO B 18 20.116 14.896 38.412 1.00 86.50 C ATOM 923 CD PRO B 18 19.731 15.372 37.027 1.00 88.79 C ATOM 924 N GLN B 19 22.427 16.745 38.948 1.00 81.05 N ATOM 925 CA GLN B 19 23.771 17.036 39.430 1.00 79.36 C ATOM 926 C GLN B 19 24.410 18.298 38.836 1.00 75.84 C ATOM 927 O GLN B 19 24.904 19.156 39.591 1.00 71.70 O ATOM 928 CB GLN B 19 24.649 15.817 39.218 1.00 80.60 C ATOM 929 CG GLN B 19 23.977 14.751 38.420 1.00 86.50 C ATOM 930 CD GLN B 19 24.642 13.403 38.576 1.00 94.13 C ATOM 931 OE1 GLN B 19 24.501 12.524 37.712 1.00 99.24 O ATOM 932 NE2 GLN B 19 25.361 13.220 39.683 1.00 95.77 N ATOM 933 N ILE B 20 24.404 18.417 37.504 1.00 73.65 N ATOM 934 CA ILE B 20 24.950 19.612 36.847 1.00 68.36 C ATOM 935 C ILE B 20 24.145 20.786 37.359 1.00 69.02 C ATOM 936 O ILE B 20 24.668 21.873 37.561 1.00 70.81 O ATOM 937 CB ILE B 20 24.761 19.589 35.331 1.00 64.52 C ATOM 938 CG1 ILE B 20 25.593 18.468 34.733 1.00 58.70 C ATOM 939 CG2 ILE B 20 25.159 20.942 34.723 1.00 62.62 C ATOM 940 CD1 ILE B 20 25.411 18.335 33.254 1.00 53.32 C ATOM 941 N PHE B 21 22.849 20.573 37.543 1.00 72.73 N ATOM 942 CA PHE B 21 22.012 21.644 38.062 1.00 72.36 C ATOM 943 C PHE B 21 22.513 21.978 39.472 1.00 69.49 C ATOM 944 O PHE B 21 22.936 23.097 39.736 1.00 66.09 O ATOM 945 CB PHE B 21 20.539 21.219 38.083 1.00 72.33 C ATOM 946 CG PHE B 21 19.640 22.196 38.778 1.00 75.10 C ATOM 947 CD1 PHE B 21 19.534 22.194 40.169 1.00 75.49 C ATOM 948 CD2 PHE B 21 18.921 23.148 38.051 1.00 77.92 C ATOM 949 CE1 PHE B 21 18.720 23.136 40.839 1.00 77.06 C ATOM 950 CE2 PHE B 21 18.106 24.092 38.712 1.00 78.12 C ATOM 951 CZ PHE B 21 18.010 24.080 40.111 1.00 75.14 C ATOM 952 N ASP B 22 22.516 21.011 40.374 1.00 70.20 N ATOM 953 CA ASP B 22 22.983 21.323 41.711 1.00 72.41 C ATOM 954 C ASP B 22 24.347 22.009 41.679 1.00 70.93 C ATOM 955 O ASP B 22 24.558 23.011 42.369 1.00 72.01 O ATOM 956 CB ASP B 22 23.055 20.062 42.578 1.00 78.53 C ATOM 957 CG ASP B 22 23.180 20.386 44.067 1.00 84.75 C ATOM 958 OD1 ASP B 22 22.274 21.063 44.615 1.00 90.26 O ATOM 959 OD2 ASP B 22 24.182 19.973 44.692 1.00 85.30 O ATOM 960 N PHE B 23 25.277 21.483 40.883 1.00 68.09 N ATOM 961 CA PHE B 23 26.602 22.088 40.820 1.00 62.55 C ATOM 962 C PHE B 23 26.555 23.594 40.603 1.00 62.67 C ATOM 963 O PHE B 23 27.030 24.355 41.435 1.00 61.47 O ATOM 964 CB PHE B 23 27.451 21.474 39.714 1.00 59.83 C ATOM 965 CG PHE B 23 28.756 22.191 39.516 1.00 58.67 C ATOM 966 CD1 PHE B 23 29.667 22.291 40.573 1.00 52.91 C ATOM 967 CD2 PHE B 23 29.047 22.853 38.316 1.00 58.53 C ATOM 968 CE1 PHE B 23 30.835 23.046 40.458 1.00 47.68 C ATOM 969 CE2 PHE B 23 30.230 23.618 38.191 1.00 55.03 C ATOM 970 CZ PHE B 23 31.124 23.711 39.273 1.00 49.97 C ATOM 971 N LEU B 24 26.002 24.017 39.474 1.00 65.23 N ATOM 972 CA LEU B 24 25.897 25.438 39.144 1.00 71.43 C ATOM 973 C LEU B 24 25.210 26.220 40.246 1.00 75.22 C ATOM 974 O LEU B 24 25.546 27.377 40.515 1.00 78.86 O ATOM 975 CB LEU B 24 25.070 25.665 37.868 1.00 74.87 C ATOM 976 CG LEU B 24 25.656 25.630 36.454 1.00 77.55 C ATOM 977 CD1 LEU B 24 26.940 26.429 36.463 1.00 77.70 C ATOM 978 CD2 LEU B 24 25.898 24.206 35.980 1.00 77.57 C ATOM 979 N GLU B 25 24.227 25.600 40.877 1.00 74.73 N ATOM 980 CA GLU B 25 23.499 26.291 41.913 1.00 75.71 C ATOM 981 C GLU B 25 24.210 26.435 43.259 1.00 76.84 C ATOM 982 O GLU B 25 23.714 27.137 44.133 1.00 80.62 O ATOM 983 CB GLU B 25 22.140 25.626 42.098 1.00 78.06 C ATOM 984 CG GLU B 25 21.139 25.918 40.990 1.00 82.43 C ATOM 985 CD GLU B 25 20.390 27.236 41.184 1.00 86.61 C ATOM 986 OE1 GLU B 25 20.179 27.938 40.171 1.00 94.71 O ATOM 987 OE2 GLU B 25 19.998 27.570 42.328 1.00 84.70 O ATOM 988 N ASN B 26 25.360 25.803 43.452 1.00 74.75 N ATOM 989 CA ASN B 26 26.034 25.948 44.737 1.00 76.43 C ATOM 990 C ASN B 26 27.431 26.559 44.627 1.00 76.38 C ATOM 991 O ASN B 26 28.048 26.938 45.630 1.00 75.58 O ATOM 992 CB ASN B 26 26.087 24.604 45.441 1.00 79.50 C ATOM 993 CG ASN B 26 24.731 23.938 45.509 1.00 82.46 C ATOM 994 OD1 ASN B 26 23.756 24.526 45.974 1.00 84.66 O ATOM 995 ND2 ASN B 26 24.660 22.700 45.041 1.00 86.00 N ATOM 996 N VAL B 27 27.930 26.641 43.400 1.00 74.92 N ATOM 997 CA VAL B 27 29.229 27.241 43.151 1.00 72.98 C ATOM 998 C VAL B 27 29.109 28.668 43.701 1.00 69.92 C ATOM 999 O VAL B 27 28.074 29.309 43.516 1.00 69.60 O ATOM 1000 CB VAL B 27 29.535 27.266 41.621 1.00 73.19 C ATOM 1001 CG1 VAL B 27 28.437 27.998 40.864 1.00 73.02 C ATOM 1002 CG2 VAL B 27 30.838 27.962 41.367 1.00 75.37 C ATOM 1003 N PRO B 28 30.144 29.172 44.406 1.00 65.81 N ATOM 1004 CA PRO B 28 30.095 30.526 44.961 1.00 63.59 C ATOM 1005 C PRO B 28 29.986 31.548 43.858 1.00 65.41 C ATOM 1006 O PRO B 28 30.775 31.535 42.913 1.00 63.61 O ATOM 1007 CB PRO B 28 31.406 30.638 45.733 1.00 56.86 C ATOM 1008 CG PRO B 28 32.296 29.830 44.961 1.00 62.56 C ATOM 1009 CD PRO B 28 31.471 28.591 44.645 1.00 66.39 C ATOM 1010 N ARG B 29 29.004 32.437 43.983 1.00 67.94 N ATOM 1011 CA ARG B 29 28.792 33.437 42.960 1.00 71.10 C ATOM 1012 C ARG B 29 29.963 34.385 42.765 1.00 67.84 C ATOM 1013 O ARG B 29 30.329 35.152 43.633 1.00 65.82 O ATOM 1014 CB ARG B 29 27.507 34.208 43.214 1.00 78.01 C ATOM 1015 CG ARG B 29 27.463 34.947 44.502 1.00 90.60 C ATOM 1016 CD ARG B 29 26.410 36.029 44.383 1.00100.63 C ATOM 1017 NE ARG B 29 26.861 37.095 43.491 1.00110.95 N ATOM 1018 CZ ARG B 29 26.051 37.891 42.800 1.00114.54 C ATOM 1019 NH1 ARG B 29 24.734 37.739 42.888 1.00114.63 N ATOM 1020 NH2 ARG B 29 26.561 38.852 42.034 1.00118.49 N ATOM 1021 N GLY B 30 30.524 34.307 41.568 1.00 67.37 N ATOM 1022 CA GLY B 30 31.666 35.095 41.185 1.00 64.42 C ATOM 1023 C GLY B 30 32.659 34.129 40.584 1.00 66.17 C ATOM 1024 O GLY B 30 33.675 34.546 40.039 1.00 66.25 O ATOM 1025 N THR B 31 32.354 32.829 40.675 1.00 67.18 N ATOM 1026 CA THR B 31 33.236 31.766 40.165 1.00 65.29 C ATOM 1027 C THR B 31 32.587 30.907 39.082 1.00 67.35 C ATOM 1028 O THR B 31 33.255 30.074 38.446 1.00 69.15 O ATOM 1029 CB THR B 31 33.665 30.786 41.278 1.00 60.43 C ATOM 1030 OG1 THR B 31 34.241 31.537 42.336 1.00 61.83 O ATOM 1031 CG2 THR B 31 34.710 29.790 40.799 1.00 61.13 C ATOM 1032 N LYS B 32 31.294 31.114 38.865 1.00 67.25 N ATOM 1033 CA LYS B 32 30.557 30.327 37.891 1.00 67.64 C ATOM 1034 C LYS B 32 31.215 30.273 36.518 1.00 65.46 C ATOM 1035 O LYS B 32 31.626 29.212 36.062 1.00 64.00 O ATOM 1036 CB LYS B 32 29.140 30.872 37.791 1.00 72.37 C ATOM 1037 CG LYS B 32 28.091 29.785 37.624 1.00 78.18 C ATOM 1038 CD LYS B 32 26.676 30.330 37.760 1.00 79.43 C ATOM 1039 CE LYS B 32 25.644 29.211 37.632 1.00 79.65 C ATOM 1040 NZ LYS B 32 24.253 29.735 37.796 1.00 82.14 N ATOM 1041 N THR B 33 31.304 31.419 35.864 1.00 63.43 N ATOM 1042 CA THR B 33 31.927 31.496 34.551 1.00 61.43 C ATOM 1043 C THR B 33 33.304 30.821 34.576 1.00 60.52 C ATOM 1044 O THR B 33 33.652 30.059 33.662 1.00 57.53 O ATOM 1045 CB THR B 33 32.084 32.973 34.117 1.00 61.76 C ATOM 1046 OG1 THR B 33 30.780 33.542 33.910 1.00 65.71 O ATOM 1047 CG2 THR B 33 32.905 33.089 32.843 1.00 53.60 C ATOM 1048 N ALA B 34 34.071 31.088 35.634 1.00 58.16 N ATOM 1049 CA ALA B 34 35.412 30.519 35.782 1.00 56.45 C ATOM 1050 C ALA B 34 35.380 29.011 35.567 1.00 55.30 C ATOM 1051 O ALA B 34 36.188 28.456 34.817 1.00 56.68 O ATOM 1052 CB ALA B 34 35.952 30.818 37.149 1.00 55.88 C ATOM 1053 N HIS B 35 34.455 28.349 36.251 1.00 53.93 N ATOM 1054 CA HIS B 35 34.299 26.907 36.119 1.00 53.97 C ATOM 1055 C HIS B 35 33.922 26.497 34.708 1.00 55.09 C ATOM 1056 O HIS B 35 34.667 25.807 34.025 1.00 56.79 O ATOM 1057 CB HIS B 35 33.211 26.434 37.048 1.00 53.72 C ATOM 1058 CG HIS B 35 33.625 26.397 38.472 1.00 57.46 C ATOM 1059 ND1 HIS B 35 34.497 25.444 38.966 1.00 61.96 N ATOM 1060 CD2 HIS B 35 33.297 27.187 39.514 1.00 57.85 C ATOM 1061 CE1 HIS B 35 34.680 25.651 40.255 1.00 62.40 C ATOM 1062 NE2 HIS B 35 33.964 26.702 40.617 1.00 63.75 N ATOM 1063 N ILE B 36 32.732 26.911 34.294 1.00 54.27 N ATOM 1064 CA ILE B 36 32.223 26.592 32.974 1.00 54.34 C ATOM 1065 C ILE B 36 33.428 26.661 32.039 1.00 53.10 C ATOM 1066 O ILE B 36 33.712 25.729 31.277 1.00 53.85 O ATOM 1067 CB ILE B 36 31.140 27.617 32.567 1.00 54.31 C ATOM 1068 CG1 ILE B 36 30.071 27.692 33.651 1.00 53.22 C ATOM 1069 CG2 ILE B 36 30.482 27.221 31.262 1.00 55.83 C ATOM 1070 CD1 ILE B 36 29.009 28.724 33.346 1.00 53.66 C ATOM 1071 N ARG B 37 34.155 27.763 32.144 1.00 52.82 N ATOM 1072 CA ARG B 37 35.347 27.990 31.343 1.00 55.62 C ATOM 1073 C ARG B 37 36.387 26.884 31.546 1.00 57.08 C ATOM 1074 O ARG B 37 36.997 26.384 30.615 1.00 59.44 O ATOM 1075 CB ARG B 37 35.947 29.325 31.736 1.00 54.84 C ATOM 1076 CG ARG B 37 36.814 29.927 30.693 1.00 56.30 C ATOM 1077 CD ARG B 37 37.192 31.332 31.087 1.00 62.45 C ATOM 1078 NE ARG B 37 36.204 31.921 31.977 1.00 71.13 N ATOM 1079 CZ ARG B 37 36.507 32.647 33.051 1.00 78.98 C ATOM 1080 NH1 ARG B 37 37.775 32.881 33.368 1.00 81.97 N ATOM 1081 NH2 ARG B 37 35.539 33.118 33.829 1.00 85.11 N ATOM 1082 N GLU B 38 36.607 26.513 32.786 1.00 56.38 N ATOM 1083 CA GLU B 38 37.553 25.464 33.058 1.00 56.93 C ATOM 1084 C GLU B 38 37.052 24.155 32.467 1.00 56.70 C ATOM 1085 O GLU B 38 37.758 23.505 31.704 1.00 60.26 O ATOM 1086 CB GLU B 38 37.714 25.300 34.553 1.00 64.32 C ATOM 1087 CG GLU B 38 39.124 25.053 34.960 1.00 72.42 C ATOM 1088 CD GLU B 38 39.700 23.859 34.273 1.00 78.03 C ATOM 1089 OE1 GLU B 38 40.016 23.950 33.062 1.00 83.47 O ATOM 1090 OE2 GLU B 38 39.825 22.825 34.957 1.00 81.33 O ATOM 1091 N ALA B 39 35.830 23.771 32.828 1.00 54.58 N ATOM 1092 CA ALA B 39 35.227 22.536 32.343 1.00 52.71 C ATOM 1093 C ALA B 39 35.408 22.462 30.829 1.00 53.93 C ATOM 1094 O ALA B 39 35.618 21.394 30.251 1.00 52.58 O ATOM 1095 CB ALA B 39 33.740 22.500 32.713 1.00 49.64 C ATOM 1096 N LEU B 40 35.335 23.614 30.186 1.00 55.03 N ATOM 1097 CA LEU B 40 35.515 23.644 28.758 1.00 59.15 C ATOM 1098 C LEU B 40 36.994 23.455 28.414 1.00 65.65 C ATOM 1099 O LEU B 40 37.356 22.606 27.589 1.00 65.58 O ATOM 1100 CB LEU B 40 34.982 24.965 28.199 1.00 54.51 C ATOM 1101 CG LEU B 40 33.447 25.012 28.119 1.00 52.72 C ATOM 1102 CD1 LEU B 40 32.979 26.368 27.604 1.00 49.27 C ATOM 1103 CD2 LEU B 40 32.963 23.908 27.197 1.00 43.67 C ATOM 1104 N ARG B 41 37.851 24.225 29.077 1.00 70.63 N ATOM 1105 CA ARG B 41 39.287 24.152 28.827 1.00 74.84 C ATOM 1106 C ARG B 41 39.748 22.706 28.707 1.00 74.98 C ATOM 1107 O ARG B 41 40.487 22.354 27.785 1.00 75.50 O ATOM 1108 CB ARG B 41 40.067 24.846 29.942 1.00 78.78 C ATOM 1109 CG ARG B 41 41.339 25.508 29.456 1.00 88.80 C ATOM 1110 CD ARG B 41 41.062 26.308 28.162 1.00 99.67 C ATOM 1111 NE ARG B 41 41.931 27.477 27.948 1.00106.42 N ATOM 1112 CZ ARG B 41 41.781 28.391 26.977 1.00109.43 C ATOM 1113 NH1 ARG B 41 40.797 28.320 26.089 1.00109.65 N ATOM 1114 NH2 ARG B 41 42.627 29.402 26.895 1.00112.04 N ATOM 1115 N ARG B 42 39.300 21.869 29.632 1.00 72.37 N ATOM 1116 CA ARG B 42 39.678 20.473 29.610 1.00 71.30 C ATOM 1117 C ARG B 42 38.905 19.753 28.555 1.00 73.49 C ATOM 1118 O ARG B 42 39.493 19.119 27.704 1.00 78.72 O ATOM 1119 CB ARG B 42 39.380 19.799 30.922 1.00 69.91 C ATOM 1120 CG ARG B 42 39.916 20.507 32.116 1.00 67.92 C ATOM 1121 CD ARG B 42 39.402 19.784 33.332 1.00 68.58 C ATOM 1122 NE ARG B 42 39.755 20.456 34.565 1.00 68.87 N ATOM 1123 CZ ARG B 42 39.409 20.021 35.767 1.00 70.18 C ATOM 1124 NH1 ARG B 42 38.695 18.906 35.875 1.00 68.37 N ATOM 1125 NH2 ARG B 42 39.783 20.699 36.851 1.00 72.36 N ATOM 1126 N TYR B 43 37.578 19.834 28.617 1.00 74.10 N ATOM 1127 CA TYR B 43 36.723 19.156 27.632 1.00 69.58 C ATOM 1128 C TYR B 43 37.311 19.319 26.229 1.00 65.53 C ATOM 1129 O TYR B 43 37.132 18.458 25.371 1.00 61.02 O ATOM 1130 CB TYR B 43 35.292 19.726 27.672 1.00 67.89 C ATOM 1131 CG TYR B 43 34.342 19.107 26.662 1.00 67.18 C ATOM 1132 CD1 TYR B 43 33.647 19.903 25.747 1.00 66.77 C ATOM 1133 CD2 TYR B 43 34.138 17.725 26.611 1.00 63.92 C ATOM 1134 CE1 TYR B 43 32.759 19.335 24.794 1.00 64.83 C ATOM 1135 CE2 TYR B 43 33.259 17.147 25.669 1.00 56.76 C ATOM 1136 CZ TYR B 43 32.574 17.958 24.769 1.00 62.72 C ATOM 1137 OH TYR B 43 31.668 17.420 23.875 1.00 62.60 O ATOM 1138 N ILE B 44 38.039 20.410 26.011 1.00 63.29 N ATOM 1139 CA ILE B 44 38.613 20.632 24.708 1.00 63.12 C ATOM 1140 C ILE B 44 39.862 19.838 24.450 1.00 65.20 C ATOM 1141 O ILE B 44 39.902 19.096 23.491 1.00 66.54 O ATOM 1142 CB ILE B 44 38.897 22.103 24.449 1.00 59.62 C ATOM 1143 CG1 ILE B 44 37.603 22.908 24.599 1.00 55.85 C ATOM 1144 CG2 ILE B 44 39.401 22.266 23.041 1.00 58.25 C ATOM 1145 CD1 ILE B 44 37.633 24.260 23.965 1.00 55.85 C ATOM 1146 N GLU B 45 40.887 19.987 25.275 1.00 70.41 N ATOM 1147 CA GLU B 45 42.107 19.206 25.066 1.00 78.63 C ATOM 1148 C GLU B 45 41.727 17.731 25.051 1.00 77.78 C ATOM 1149 O GLU B 45 42.142 16.971 24.183 1.00 77.83 O ATOM 1150 CB GLU B 45 43.119 19.468 26.186 1.00 88.28 C ATOM 1151 CG GLU B 45 42.552 19.335 27.601 1.00103.35 C ATOM 1152 CD GLU B 45 43.197 20.309 28.587 1.00113.37 C ATOM 1153 OE1 GLU B 45 42.768 20.357 29.769 1.00119.35 O ATOM 1154 OE2 GLU B 45 44.133 21.034 28.174 1.00117.56 O ATOM 1155 N GLU B 46 40.912 17.359 26.026 1.00 77.59 N ATOM 1156 CA GLU B 46 40.407 16.008 26.209 1.00 79.04 C ATOM 1157 C GLU B 46 39.548 15.659 24.993 1.00 77.55 C ATOM 1158 O GLU B 46 38.513 15.007 25.119 1.00 79.45 O ATOM 1159 CB GLU B 46 39.548 15.980 27.478 1.00 84.48 C ATOM 1160 CG GLU B 46 39.150 14.603 27.986 1.00 92.71 C ATOM 1161 CD GLU B 46 37.890 14.653 28.863 1.00 94.94 C ATOM 1162 OE1 GLU B 46 36.823 15.031 28.319 1.00 95.73 O ATOM 1163 OE2 GLU B 46 37.963 14.323 30.079 1.00 94.51 O ATOM 1164 N ILE B 47 39.973 16.119 23.820 1.00 74.10 N ATOM 1165 CA ILE B 47 39.280 15.874 22.545 1.00 73.54 C ATOM 1166 C ILE B 47 40.291 16.067 21.414 1.00 77.69 C ATOM 1167 O ILE B 47 40.934 15.058 21.033 1.00 79.14 O ATOM 1168 CB ILE B 47 38.100 16.877 22.285 1.00 67.76 C ATOM 1169 CG1 ILE B 47 36.845 16.457 23.064 1.00 67.04 C ATOM 1170 CG2 ILE B 47 37.801 16.954 20.795 1.00 64.12 C ATOM 1171 CD1 ILE B 47 35.590 17.223 22.669 1.00 65.39 C TER 1172 ILE B 47 HETATM 1173 N1 EPE A3022 31.711 19.006 15.201 1.00 92.34 N HETATM 1174 C2 EPE A3022 32.183 18.860 13.764 1.00 88.61 C HETATM 1175 C3 EPE A3022 33.004 20.122 13.366 1.00 89.01 C HETATM 1176 N4 EPE A3022 34.171 20.295 14.279 1.00 90.41 N HETATM 1177 C5 EPE A3022 33.707 20.388 15.714 1.00 91.17 C HETATM 1178 C6 EPE A3022 32.926 19.096 16.107 1.00 90.17 C HETATM 1179 C7 EPE A3022 34.892 21.540 13.876 1.00 86.72 C HETATM 1180 C8 EPE A3022 36.118 21.808 14.770 1.00 85.64 C HETATM 1181 O8 EPE A3022 37.074 20.757 14.595 1.00 81.49 O HETATM 1182 C9 EPE A3022 30.893 17.814 15.547 1.00 90.35 C HETATM 1183 C10 EPE A3022 30.355 17.897 16.992 1.00 90.83 C HETATM 1184 S EPE A3022 29.312 16.444 17.350 1.00 98.28 S HETATM 1185 O1S EPE A3022 28.073 16.425 16.628 1.00 93.40 O HETATM 1186 O2S EPE A3022 30.134 15.271 17.270 1.00 95.46 O HETATM 1187 O3S EPE A3022 28.884 16.592 18.803 1.00 99.21 O CONECT 110 140 CONECT 123 124 128 132 CONECT 124 123 125 129 CONECT 125 124 126 CONECT 126 125 127 130 CONECT 127 126 128 131 CONECT 128 123 127 CONECT 129 124 CONECT 130 126 CONECT 131 127 CONECT 132 123 133 137 CONECT 133 132 134 CONECT 134 133 135 136 CONECT 135 134 137 138 CONECT 136 134 143 CONECT 137 132 135 CONECT 138 135 139 CONECT 139 138 140 CONECT 140 110 139 141 142 CONECT 141 140 CONECT 142 140 CONECT 143 136 CONECT 172 200 CONECT 183 184 188 192 CONECT 184 183 185 189 CONECT 185 184 186 CONECT 186 185 187 190 CONECT 187 186 188 191 CONECT 188 183 187 CONECT 189 184 CONECT 190 186 CONECT 191 187 CONECT 192 183 193 197 CONECT 193 192 194 CONECT 194 193 195 196 CONECT 195 194 197 198 CONECT 196 194 203 CONECT 197 192 195 CONECT 198 195 199 CONECT 199 198 200 CONECT 200 172 199 201 202 CONECT 201 200 CONECT 202 200 CONECT 203 196 CONECT 1173 1174 1178 1182 CONECT 1174 1173 1175 CONECT 1175 1174 1176 CONECT 1176 1175 1177 1179 CONECT 1177 1176 1178 CONECT 1178 1173 1177 CONECT 1179 1176 1180 CONECT 1180 1179 1181 CONECT 1181 1180 CONECT 1182 1173 1183 CONECT 1183 1182 1184 CONECT 1184 1183 1185 1186 1187 CONECT 1185 1184 CONECT 1186 1184 CONECT 1187 1184 MASTER 375 0 3 4 2 0 1 6 1184 3 59 14 END
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Related entries of code: 2q2k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2q2k
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
ParR
Ligand Name
20 bp DNA
EC.Number
E.C.-.-.-.-
Resolution
3(Å)
Affinity (Kd/Ki/IC50)
Kd=17.5nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Nature Vol. 450: pp. 1268-1271
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):
O87365
Entrez Gene ID
NCBI Entrez Gene ID:
59697411
ASD
Information of known allosteric effects of PDB entries
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