Browse entries in the PDBbind-CN Database
HEADER RNA 19-MAY-00 1F1T TITLE CRYSTAL STRUCTURE OF THE MALACHITE GREEN APTAMER COMPLEXED TITLE 2 WITH TETRAMETHYL-ROSAMINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MALACHITE GREEN APTAMER RNA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: ALL URIDINES ARE 5-BROMO-URIDINE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: IN VITRO T7 TRANSCRIPTION OF A LINEARIZED SOURCE 4 PLASMID TEMPLATE KEYWDS U-TURN, BASE QUADRUPLE, BASE TRIPLE, GNRA TETRALOOP, 5- KEYWDS 2 BROMO-URIDINE, RNA EXPDTA X-RAY DIFFRACTION AUTHOR C.BAUGH,D.GRATE,C.WILSON REVDAT 3 24-FEB-09 1F1T 1 VERSN REVDAT 2 28-SEP-00 1F1T 1 JRNL REVDAT 1 04-SEP-00 1F1T 0 JRNL AUTH C.BAUGH,D.GRATE,C.WILSON JRNL TITL 2.8 A CRYSTAL STRUCTURE OF THE MALACHITE GREEN JRNL TITL 2 APTAMER. JRNL REF J.MOL.BIOL. V. 301 117 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10926496 JRNL DOI 10.1006/JMBI.2000.3951 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.9 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 3188 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) : 0.261 REMARK 3 FREE R VALUE : 0.282 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL 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 : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL 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 : 0 REMARK 3 NUCLEIC ACID ATOMS : 816 REMARK 3 HETEROGEN ATOMS : 39 REMARK 3 SOLVENT ATOMS : 5 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.013 REMARK 3 BOND ANGLES (DEGREES) : 1.96 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F1T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011139. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-AUG-99 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 5.0.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.92070, 0.92090, 0.90830, REMARK 200 1.0000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3188 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 40.300 REMARK 200 R MERGE (I) : 0.05700 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 40.5900 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CACODYLATE, MGCL2, SRCL2, KCL, REMARK 280 SPERMINE, MPD, PH 4.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 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 95.94667 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 47.97333 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 71.96000 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 23.98667 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 119.93333 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 95.94667 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 47.97333 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 23.98667 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 71.96000 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 119.93333 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OP2 5BU A 4 O HOH A 305 1.94 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 C A 7 O3' - P - OP2 ANGL. DEV. = 6.9 DEGREES REMARK 500 G A 8 N9 - C1' - C2' ANGL. DEV. = 9.9 DEGREES REMARK 500 G A 15 N9 - C1' - C2' ANGL. DEV. = -7.7 DEGREES REMARK 500 G A 24 N9 - C1' - C2' ANGL. DEV. = 8.3 DEGREES REMARK 500 G A 29 N9 - C1' - C2' ANGL. DEV. = 10.6 DEGREES 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 G A 23 0.05 SIDE_CHAIN REMARK 500 G A 24 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 SR A 206 SR REMARK 620 N RES CSSEQI ATOM REMARK 620 1 G A 33 OP1 REMARK 620 2 HOH A 304 O 59.7 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 SR A 201 SR REMARK 620 N RES CSSEQI ATOM REMARK 620 1 G A 34 OP1 REMARK 620 2 5BU A 32 O2 80.4 REMARK 620 3 A A 16 OP1 88.6 74.9 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 SR A 205 SR REMARK 620 N RES CSSEQI ATOM REMARK 620 1 G A 33 OP2 REMARK 620 2 A A 31 OP2 93.5 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 205 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 206 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ROS A 101 DBREF 1F1T A 1 38 PDB 1F1T 1F1T 1 38 SEQRES 1 A 38 G G A 5BU C C C G A C 5BU G G SEQRES 2 A 38 C G A G A G C C A G G 5BU A SEQRES 3 A 38 A C G A A 5BU G G A 5BU C C MODRES 1F1T 5BU A 4 U 5-BROMO-URIDINE-5'-MONOPHOSPHATE MODRES 1F1T 5BU A 11 U 5-BROMO-URIDINE-5'-MONOPHOSPHATE MODRES 1F1T 5BU A 25 U 5-BROMO-URIDINE-5'-MONOPHOSPHATE MODRES 1F1T 5BU A 32 U 5-BROMO-URIDINE-5'-MONOPHOSPHATE MODRES 1F1T 5BU A 36 U 5-BROMO-URIDINE-5'-MONOPHOSPHATE HET 5BU A 4 21 HET 5BU A 11 21 HET 5BU A 25 21 HET 5BU A 32 21 HET 5BU A 36 21 HET SR A 201 1 HET SR A 202 1 HET SR A 203 1 HET SR A 204 1 HET SR A 205 1 HET SR A 206 1 HET SR A 208 1 HET SR A 209 1 HET ROS A 101 26 HETNAM 5BU 5-BROMO-URIDINE-5'-MONOPHOSPHATE HETNAM SR STRONTIUM ION HETNAM ROS N,N'-TETRAMETHYL-ROSAMINE HETSYN ROS (6-DIMETHYLAMINO-9-PHENYL-XANTHEN-3-YLIDENE)-DIMETHYL- HETSYN 2 ROS AMMONIUM FORMUL 1 5BU 5(C9 H12 BR N2 O9 P) FORMUL 2 SR 8(SR 2+) FORMUL 10 ROS C23 H23 N2 O 1+ FORMUL 11 HOH *5(H2 O) LINK OP1 G A 33 SR SR A 206 1555 1555 2.62 LINK OP1 G A 34 SR SR A 201 1555 1555 2.64 LINK SR SR A 206 O HOH A 304 1555 1555 2.72 LINK O2 5BU A 32 SR SR A 201 1555 1555 2.77 LINK O3' A A 3 P 5BU A 4 1555 1555 1.60 LINK O3' 5BU A 4 P C A 5 1555 1555 1.61 LINK O3' C A 10 P 5BU A 11 1555 1555 1.60 LINK O3' 5BU A 11 P G A 12 1555 1555 1.61 LINK O3' G A 24 P 5BU A 25 1555 1555 1.66 LINK O3' 5BU A 25 P A A 26 1555 1555 1.60 LINK O3' A A 31 P 5BU A 32 1555 1555 1.59 LINK O3' 5BU A 32 P G A 33 1555 1555 1.61 LINK O3' A A 35 P 5BU A 36 1555 1555 1.59 LINK O3' 5BU A 36 P C A 37 1555 1555 1.60 LINK SR SR A 205 OP2 G A 33 1555 1555 3.15 LINK SR SR A 205 OP2 A A 31 1555 1555 3.20 LINK SR SR A 201 OP1 A A 16 1555 6434 2.86 SITE 1 AC1 3 A A 16 5BU A 32 G A 34 SITE 1 AC2 2 A A 31 G A 33 SITE 1 AC3 2 G A 33 HOH A 304 SITE 1 AC4 6 C A 7 G A 8 G A 24 C A 28 SITE 2 AC4 6 G A 29 A A 30 CRYST1 55.297 55.297 143.920 90.00 90.00 120.00 P 65 2 2 12 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 0.018084 0.010441 0.000000 0.00000 SCALE2 0.000000 0.020882 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006948 0.00000 ATOM 1 O5' G A 1 127.495 -76.030 -95.477 1.00 70.49 O ATOM 2 C5' G A 1 127.431 -77.324 -96.081 1.00 70.50 C ATOM 3 C4' G A 1 128.354 -78.303 -95.394 1.00 70.44 C ATOM 4 O4' G A 1 129.622 -77.650 -95.151 1.00 70.31 O ATOM 5 C3' G A 1 127.924 -78.737 -94.006 1.00 70.50 C ATOM 6 O3' G A 1 126.952 -79.770 -94.025 1.00 70.72 O ATOM 7 C2' G A 1 129.231 -79.191 -93.395 1.00 70.35 C ATOM 8 O2' G A 1 129.579 -80.482 -93.869 1.00 70.19 O ATOM 9 C1' G A 1 130.166 -78.094 -93.918 1.00 70.27 C ATOM 10 N9 G A 1 130.292 -76.911 -93.067 1.00 70.09 N ATOM 11 C8 G A 1 129.872 -75.645 -93.385 1.00 69.96 C ATOM 12 N7 G A 1 130.169 -74.760 -92.474 1.00 69.88 N ATOM 13 C5 G A 1 130.812 -75.486 -91.481 1.00 69.92 C ATOM 14 C6 G A 1 131.382 -75.059 -90.242 1.00 69.83 C ATOM 15 O6 G A 1 131.435 -73.927 -89.767 1.00 69.70 O ATOM 16 N1 G A 1 131.937 -76.118 -89.544 1.00 69.83 N ATOM 17 C2 G A 1 131.949 -77.417 -89.966 1.00 69.89 C ATOM 18 N2 G A 1 132.528 -78.292 -89.129 1.00 69.93 N ATOM 19 N3 G A 1 131.429 -77.833 -91.116 1.00 69.99 N ATOM 20 C4 G A 1 130.883 -76.819 -91.820 1.00 69.99 C ATOM 21 P G A 2 125.919 -79.888 -92.794 1.00 70.81 P ATOM 22 OP1 G A 2 124.965 -81.013 -93.119 1.00 70.82 O ATOM 23 OP2 G A 2 125.385 -78.529 -92.420 1.00 70.79 O ATOM 24 O5' G A 2 126.879 -80.370 -91.631 1.00 70.35 O ATOM 25 C5' G A 2 127.530 -81.605 -91.769 1.00 69.76 C ATOM 26 C4' G A 2 128.422 -81.821 -90.606 1.00 69.29 C ATOM 27 O4' G A 2 129.495 -80.828 -90.654 1.00 69.27 O ATOM 28 C3' G A 2 127.774 -81.539 -89.268 1.00 68.86 C ATOM 29 O3' G A 2 126.800 -82.493 -88.838 1.00 68.02 O ATOM 30 C2' G A 2 129.017 -81.366 -88.415 1.00 69.02 C ATOM 31 O2' G A 2 129.701 -82.602 -88.241 1.00 68.94 O ATOM 32 C1' G A 2 129.813 -80.423 -89.329 1.00 69.06 C ATOM 33 N9 G A 2 129.359 -79.043 -89.170 1.00 69.04 N ATOM 34 C8 G A 2 128.412 -78.360 -89.910 1.00 69.04 C ATOM 35 N7 G A 2 128.234 -77.129 -89.502 1.00 69.00 N ATOM 36 C5 G A 2 129.114 -77.001 -88.428 1.00 69.00 C ATOM 37 C6 G A 2 129.394 -75.888 -87.566 1.00 68.95 C ATOM 38 O6 G A 2 128.907 -74.753 -87.567 1.00 68.90 O ATOM 39 N1 G A 2 130.361 -76.209 -86.630 1.00 68.93 N ATOM 40 C2 G A 2 130.993 -77.421 -86.530 1.00 68.95 C ATOM 41 N2 G A 2 131.914 -77.529 -85.567 1.00 68.97 N ATOM 42 N3 G A 2 130.748 -78.450 -87.311 1.00 68.91 N ATOM 43 C4 G A 2 129.808 -78.176 -88.222 1.00 68.96 C ATOM 44 P A A 3 125.315 -81.955 -88.420 1.00 67.49 P ATOM 45 OP1 A A 3 124.278 -83.009 -88.711 1.00 67.44 O ATOM 46 OP2 A A 3 125.158 -80.591 -89.013 1.00 67.50 O ATOM 47 O5' A A 3 125.425 -81.732 -86.845 1.00 66.20 O ATOM 48 C5' A A 3 126.119 -82.685 -86.066 1.00 64.27 C ATOM 49 C4' A A 3 126.918 -81.998 -84.999 1.00 62.79 C ATOM 50 O4' A A 3 127.756 -80.985 -85.610 1.00 62.41 O ATOM 51 C3' A A 3 126.095 -81.212 -84.005 1.00 61.84 C ATOM 52 O3' A A 3 125.513 -82.065 -83.038 1.00 60.50 O ATOM 53 C2' A A 3 127.131 -80.255 -83.441 1.00 61.88 C ATOM 54 O2' A A 3 127.999 -80.843 -82.494 1.00 61.68 O ATOM 55 C1' A A 3 127.900 -79.895 -84.713 1.00 62.00 C ATOM 56 N9 A A 3 127.335 -78.707 -85.343 1.00 61.73 N ATOM 57 C8 A A 3 126.568 -78.603 -86.475 1.00 61.68 C ATOM 58 N7 A A 3 126.203 -77.377 -86.748 1.00 61.52 N ATOM 59 C5 A A 3 126.774 -76.626 -85.726 1.00 61.39 C ATOM 60 C6 A A 3 126.754 -75.249 -85.428 1.00 61.31 C ATOM 61 N6 A A 3 126.109 -74.333 -86.167 1.00 61.08 N ATOM 62 N1 A A 3 127.424 -74.841 -84.324 1.00 61.22 N ATOM 63 C2 A A 3 128.060 -75.756 -83.588 1.00 61.22 C ATOM 64 N3 A A 3 128.150 -77.065 -83.766 1.00 61.26 N ATOM 65 C4 A A 3 127.476 -77.437 -84.861 1.00 61.46 C HETATM 66 P 5BU A 4 123.945 -81.938 -82.746 1.00 59.62 P HETATM 67 OP1 5BU A 4 123.516 -83.245 -82.211 1.00 59.71 O HETATM 68 OP2 5BU A 4 123.292 -81.379 -83.958 1.00 59.57 O HETATM 69 O5' 5BU A 4 123.885 -80.867 -81.579 1.00 58.71 O HETATM 70 C5' 5BU A 4 124.676 -81.086 -80.432 1.00 57.28 C HETATM 71 C4' 5BU A 4 124.928 -79.805 -79.699 1.00 56.20 C HETATM 72 O4' 5BU A 4 125.771 -78.925 -80.473 1.00 56.43 O HETATM 73 C3' 5BU A 4 123.729 -78.945 -79.367 1.00 55.27 C HETATM 74 O3' 5BU A 4 123.034 -79.459 -78.237 1.00 52.77 O HETATM 75 C2' 5BU A 4 124.418 -77.633 -79.021 1.00 55.95 C HETATM 76 O2' 5BU A 4 124.949 -77.700 -77.706 1.00 56.02 O HETATM 77 C1' 5BU A 4 125.524 -77.583 -80.088 1.00 56.71 C HETATM 78 N1 5BU A 4 125.066 -76.867 -81.281 1.00 57.68 N HETATM 79 C2 5BU A 4 125.146 -75.495 -81.294 1.00 57.96 C HETATM 80 O2 5BU A 4 125.657 -74.858 -80.382 1.00 57.99 O HETATM 81 N3 5BU A 4 124.603 -74.902 -82.409 1.00 58.15 N HETATM 82 C4 5BU A 4 124.016 -75.546 -83.483 1.00 58.81 C HETATM 83 O4 5BU A 4 123.501 -74.907 -84.402 1.00 58.42 O HETATM 84 C5 5BU A 4 124.027 -76.941 -83.397 1.00 59.08 C HETATM 85 C6 5BU A 4 124.536 -77.549 -82.338 1.00 58.67 C HETATM 86 BR 5BU A 4 123.391 -77.942 -84.843 1.00 61.91 BR ATOM 87 P C A 5 121.506 -79.010 -77.972 1.00 51.05 P ATOM 88 OP1 C A 5 121.135 -79.623 -76.650 1.00 51.20 O ATOM 89 OP2 C A 5 120.611 -79.222 -79.161 1.00 50.78 O ATOM 90 O5' C A 5 121.627 -77.442 -77.713 1.00 48.84 O ATOM 91 C5' C A 5 122.287 -76.978 -76.552 1.00 45.26 C ATOM 92 C4' C A 5 122.173 -75.488 -76.449 1.00 42.72 C ATOM 93 O4' C A 5 123.007 -74.858 -77.452 1.00 42.10 O ATOM 94 C3' C A 5 120.800 -74.853 -76.639 1.00 41.16 C ATOM 95 O3' C A 5 120.114 -74.945 -75.410 1.00 39.15 O ATOM 96 C2' C A 5 121.213 -73.413 -76.886 1.00 41.14 C ATOM 97 O2' C A 5 121.653 -72.767 -75.713 1.00 41.32 O ATOM 98 C1' C A 5 122.454 -73.599 -77.763 1.00 41.19 C ATOM 99 N1 C A 5 122.025 -73.599 -79.148 1.00 40.56 N ATOM 100 C2 C A 5 121.846 -72.388 -79.724 1.00 40.24 C ATOM 101 O2 C A 5 122.123 -71.402 -79.054 1.00 40.15 O ATOM 102 N3 C A 5 121.369 -72.302 -80.973 1.00 40.10 N ATOM 103 C4 C A 5 121.065 -73.411 -81.634 1.00 40.09 C ATOM 104 N4 C A 5 120.570 -73.283 -82.846 1.00 40.07 N ATOM 105 C5 C A 5 121.258 -74.702 -81.066 1.00 40.10 C ATOM 106 C6 C A 5 121.755 -74.750 -79.832 1.00 40.26 C ATOM 107 P C A 6 118.523 -75.112 -75.358 1.00 37.58 P ATOM 108 OP1 C A 6 118.281 -75.446 -73.945 1.00 37.65 O ATOM 109 OP2 C A 6 118.011 -76.028 -76.385 1.00 37.62 O ATOM 110 O5' C A 6 118.016 -73.634 -75.654 1.00 36.54 O ATOM 111 C5' C A 6 118.600 -72.517 -74.971 1.00 34.58 C ATOM 112 C4' C A 6 118.027 -71.217 -75.478 1.00 33.30 C ATOM 113 O4' C A 6 118.763 -70.721 -76.628 1.00 32.73 O ATOM 114 C3' C A 6 116.592 -71.278 -75.953 1.00 32.83 C ATOM 115 O3' C A 6 115.702 -71.264 -74.837 1.00 32.27 O ATOM 116 C2' C A 6 116.525 -70.031 -76.817 1.00 32.61 C ATOM 117 O2' C A 6 116.448 -68.875 -76.009 1.00 32.83 O ATOM 118 C1' C A 6 117.885 -70.074 -77.512 1.00 32.32 C ATOM 119 N1 C A 6 117.839 -70.848 -78.760 1.00 31.85 N ATOM 120 C2 C A 6 117.380 -70.225 -79.936 1.00 31.64 C ATOM 121 O2 C A 6 117.104 -69.027 -79.916 1.00 31.44 O ATOM 122 N3 C A 6 117.242 -70.955 -81.059 1.00 31.45 N ATOM 123 C4 C A 6 117.536 -72.251 -81.048 1.00 31.25 C ATOM 124 N4 C A 6 117.328 -72.943 -82.163 1.00 30.93 N ATOM 125 C5 C A 6 118.040 -72.897 -79.884 1.00 31.36 C ATOM 126 C6 C A 6 118.187 -72.162 -78.776 1.00 31.59 C ATOM 127 P C A 7 114.112 -71.493 -75.037 1.00 31.97 P ATOM 128 OP1 C A 7 113.731 -70.862 -73.761 1.00 32.19 O ATOM 129 OP2 C A 7 113.651 -72.878 -75.322 1.00 31.87 O ATOM 130 O5' C A 7 113.695 -70.658 -76.338 1.00 31.69 O ATOM 131 C5' C A 7 113.092 -69.378 -76.266 1.00 31.65 C ATOM 132 C4' C A 7 112.638 -68.955 -77.636 1.00 31.75 C ATOM 133 O4' C A 7 113.767 -69.049 -78.544 1.00 31.64 O ATOM 134 C3' C A 7 111.577 -69.825 -78.290 1.00 31.91 C ATOM 135 O3' C A 7 110.289 -69.384 -77.843 1.00 32.49 O ATOM 136 C2' C A 7 111.826 -69.541 -79.780 1.00 31.75 C ATOM 137 O2' C A 7 111.375 -68.321 -80.358 1.00 31.70 O ATOM 138 C1' C A 7 113.340 -69.481 -79.818 1.00 31.51 C ATOM 139 N1 C A 7 113.871 -70.818 -80.068 1.00 31.34 N ATOM 140 C2 C A 7 113.763 -71.331 -81.332 1.00 31.12 C ATOM 141 O2 C A 7 113.274 -70.626 -82.194 1.00 30.95 O ATOM 142 N3 C A 7 114.192 -72.588 -81.585 1.00 31.22 N ATOM 143 C4 C A 7 114.734 -73.311 -80.601 1.00 31.22 C ATOM 144 N4 C A 7 115.162 -74.537 -80.875 1.00 31.25 N ATOM 145 C5 C A 7 114.870 -72.799 -79.289 1.00 31.20 C ATOM 146 C6 C A 7 114.434 -71.555 -79.067 1.00 31.36 C ATOM 147 P G A 8 109.223 -70.422 -77.211 1.00 32.73 P ATOM 148 OP1 G A 8 108.061 -69.573 -76.867 1.00 32.72 O ATOM 149 OP2 G A 8 109.846 -71.272 -76.161 1.00 32.48 O ATOM 150 O5' G A 8 108.757 -71.280 -78.453 1.00 32.82 O ATOM 151 C5' G A 8 108.018 -70.668 -79.497 1.00 33.39 C ATOM 152 C4' G A 8 106.998 -71.644 -80.001 1.00 33.77 C ATOM 153 O4' G A 8 107.656 -72.832 -80.419 1.00 33.65 O ATOM 154 C3' G A 8 105.939 -72.027 -78.980 1.00 34.00 C ATOM 155 O3' G A 8 104.746 -71.729 -79.720 1.00 34.98 O ATOM 156 C2' G A 8 106.089 -73.529 -78.788 1.00 33.74 C ATOM 157 O2' G A 8 104.878 -74.247 -78.695 1.00 34.01 O ATOM 158 C1' G A 8 106.878 -73.911 -80.038 1.00 33.37 C ATOM 159 N9 G A 8 107.665 -75.122 -80.158 1.00 32.73 N ATOM 160 C8 G A 8 108.516 -75.718 -79.269 1.00 32.44 C ATOM 161 N7 G A 8 109.063 -76.802 -79.742 1.00 32.32 N ATOM 162 C5 G A 8 108.529 -76.917 -81.017 1.00 32.11 C ATOM 163 C6 G A 8 108.741 -77.882 -82.025 1.00 31.89 C ATOM 164 O6 G A 8 109.475 -78.888 -82.002 1.00 31.73 O ATOM 165 N1 G A 8 107.993 -77.593 -83.163 1.00 31.76 N ATOM 166 C2 G A 8 107.165 -76.523 -83.321 1.00 31.68 C ATOM 167 N2 G A 8 106.536 -76.425 -84.484 1.00 31.26 N ATOM 168 N3 G A 8 106.968 -75.614 -82.392 1.00 31.99 N ATOM 169 C4 G A 8 107.671 -75.879 -81.276 1.00 32.30 C ATOM 170 P A A 9 103.299 -71.848 -79.047 1.00 35.95 P ATOM 171 OP1 A A 9 103.468 -71.086 -77.783 1.00 35.70 O ATOM 172 OP2 A A 9 102.800 -73.251 -78.995 1.00 35.90 O ATOM 173 O5' A A 9 102.342 -71.093 -80.087 1.00 36.27 O ATOM 174 C5' A A 9 100.985 -71.516 -80.290 1.00 37.08 C ATOM 175 C4' A A 9 100.758 -71.782 -81.750 1.00 37.69 C ATOM 176 O4' A A 9 101.083 -70.568 -82.455 1.00 37.69 O ATOM 177 C3' A A 9 101.728 -72.849 -82.233 1.00 38.18 C ATOM 178 O3' A A 9 101.103 -74.103 -82.470 1.00 39.07 O ATOM 179 C2' A A 9 102.214 -72.375 -83.598 1.00 38.14 C ATOM 180 O2' A A 9 101.705 -73.085 -84.718 1.00 38.14 O ATOM 181 C1' A A 9 101.905 -70.869 -83.569 1.00 37.79 C ATOM 182 N9 A A 9 103.150 -70.119 -83.464 1.00 37.32 N ATOM 183 C8 A A 9 103.979 -69.994 -82.389 1.00 37.20 C ATOM 184 N7 A A 9 105.078 -69.334 -82.652 1.00 37.07 N ATOM 185 C5 A A 9 104.947 -68.988 -83.987 1.00 37.00 C ATOM 186 C6 A A 9 105.776 -68.293 -84.861 1.00 36.89 C ATOM 187 N6 A A 9 106.955 -67.780 -84.517 1.00 36.86 N ATOM 188 N1 A A 9 105.355 -68.131 -86.122 1.00 36.91 N ATOM 189 C2 A A 9 104.171 -68.630 -86.473 1.00 37.03 C ATOM 190 N3 A A 9 103.296 -69.296 -85.741 1.00 37.14 N ATOM 191 C4 A A 9 103.756 -69.448 -84.491 1.00 37.14 C ATOM 192 P C A 10 99.498 -74.213 -82.682 1.00 39.72 P ATOM 193 OP1 C A 10 98.956 -73.040 -83.438 1.00 39.57 O ATOM 194 OP2 C A 10 98.953 -74.542 -81.340 1.00 39.62 O ATOM 195 O5' C A 10 99.387 -75.494 -83.627 1.00 39.87 O ATOM 196 C5' C A 10 99.854 -75.416 -84.974 1.00 40.49 C ATOM 197 C4' C A 10 100.978 -76.384 -85.217 1.00 40.91 C ATOM 198 O4' C A 10 102.208 -75.941 -84.606 1.00 40.92 O ATOM 199 C3' C A 10 100.781 -77.771 -84.641 1.00 41.36 C ATOM 200 O3' C A 10 99.975 -78.548 -85.487 1.00 42.09 O ATOM 201 C2' C A 10 102.193 -78.333 -84.628 1.00 41.17 C ATOM 202 O2' C A 10 102.613 -78.862 -85.863 1.00 41.61 O ATOM 203 C1' C A 10 103.020 -77.083 -84.364 1.00 40.88 C ATOM 204 N1 C A 10 103.510 -77.073 -82.997 1.00 40.48 N ATOM 205 C2 C A 10 104.370 -78.075 -82.609 1.00 40.42 C ATOM 206 O2 C A 10 104.639 -78.966 -83.412 1.00 40.43 O ATOM 207 N3 C A 10 104.892 -78.051 -81.374 1.00 40.38 N ATOM 208 C4 C A 10 104.575 -77.065 -80.550 1.00 40.22 C ATOM 209 N4 C A 10 105.135 -77.042 -79.369 1.00 40.28 N ATOM 210 C5 C A 10 103.675 -76.052 -80.911 1.00 40.26 C ATOM 211 C6 C A 10 103.162 -76.094 -82.131 1.00 40.34 C HETATM 212 P 5BU A 11 99.060 -79.705 -84.857 1.00 43.04 P HETATM 213 OP1 5BU A 11 98.059 -80.016 -85.934 1.00 42.91 O HETATM 214 OP2 5BU A 11 98.581 -79.326 -83.476 1.00 42.81 O HETATM 215 O5' 5BU A 11 100.076 -80.933 -84.663 1.00 43.39 O HETATM 216 C5' 5BU A 11 100.663 -81.596 -85.774 1.00 44.00 C HETATM 217 C4' 5BU A 11 101.680 -82.606 -85.303 1.00 44.54 C HETATM 218 O4' 5BU A 11 102.801 -81.957 -84.656 1.00 44.84 O HETATM 219 C3' 5BU A 11 101.207 -83.536 -84.222 1.00 44.88 C HETATM 220 O3' 5BU A 11 100.392 -84.556 -84.768 1.00 45.07 O HETATM 221 C2' 5BU A 11 102.519 -84.081 -83.708 1.00 44.90 C HETATM 222 O2' 5BU A 11 103.048 -84.935 -84.687 1.00 44.87 O HETATM 223 C1' 5BU A 11 103.347 -82.812 -83.673 1.00 45.04 C HETATM 224 N1 5BU A 11 103.261 -82.104 -82.398 1.00 45.53 N HETATM 225 C2 5BU A 11 104.039 -82.529 -81.347 1.00 45.63 C HETATM 226 O2 5BU A 11 104.740 -83.498 -81.398 1.00 45.54 O HETATM 227 N3 5BU A 11 103.959 -81.766 -80.226 1.00 45.75 N HETATM 228 C4 5BU A 11 103.201 -80.660 -80.054 1.00 46.19 C HETATM 229 O4 5BU A 11 103.266 -80.036 -79.016 1.00 45.97 O HETATM 230 C5 5BU A 11 102.416 -80.312 -81.148 1.00 46.50 C HETATM 231 C6 5BU A 11 102.455 -81.027 -82.265 1.00 46.22 C HETATM 232 BR 5BU A 11 101.273 -78.844 -80.996 1.00 48.64 BR ATOM 233 P G A 12 99.218 -85.176 -83.861 1.00 44.91 P ATOM 234 OP1 G A 12 98.439 -85.942 -84.859 1.00 44.93 O ATOM 235 OP2 G A 12 98.561 -84.082 -83.103 1.00 44.70 O ATOM 236 O5' G A 12 100.008 -86.145 -82.859 1.00 44.82 O ATOM 237 C5' G A 12 100.732 -87.248 -83.382 1.00 44.82 C ATOM 238 C4' G A 12 101.582 -87.894 -82.332 1.00 44.87 C ATOM 239 O4' G A 12 102.647 -87.003 -81.897 1.00 44.81 O ATOM 240 C3' G A 12 100.896 -88.282 -81.046 1.00 45.04 C ATOM 241 O3' G A 12 100.184 -89.499 -81.207 1.00 45.48 O ATOM 242 C2' G A 12 102.106 -88.476 -80.142 1.00 44.90 C ATOM 243 O2' G A 12 102.816 -89.643 -80.526 1.00 44.96 O ATOM 244 C1' G A 12 102.948 -87.261 -80.526 1.00 44.62 C ATOM 245 N9 G A 12 102.576 -86.077 -79.765 1.00 44.28 N ATOM 246 C8 G A 12 101.701 -85.108 -80.189 1.00 44.35 C ATOM 247 N7 G A 12 101.541 -84.146 -79.325 1.00 44.18 N ATOM 248 C5 G A 12 102.358 -84.501 -78.268 1.00 44.07 C ATOM 249 C6 G A 12 102.569 -83.852 -77.063 1.00 44.08 C ATOM 250 O6 G A 12 102.082 -82.776 -76.677 1.00 44.09 O ATOM 251 N1 G A 12 103.446 -84.554 -76.254 1.00 43.98 N ATOM 252 C2 G A 12 104.049 -85.718 -76.582 1.00 43.88 C ATOM 253 N2 G A 12 104.873 -86.202 -75.655 1.00 43.81 N ATOM 254 N3 G A 12 103.864 -86.350 -77.728 1.00 43.92 N ATOM 255 C4 G A 12 103.005 -85.690 -78.518 1.00 44.05 C ATOM 256 P G A 13 98.856 -89.768 -80.323 1.00 45.84 P ATOM 257 OP1 G A 13 98.341 -91.119 -80.691 1.00 45.95 O ATOM 258 OP2 G A 13 97.974 -88.568 -80.491 1.00 45.82 O ATOM 259 O5' G A 13 99.373 -89.840 -78.829 1.00 45.35 O ATOM 260 C5' G A 13 100.228 -90.892 -78.467 1.00 45.25 C ATOM 261 C4' G A 13 100.670 -90.724 -77.045 1.00 45.03 C ATOM 262 O4' G A 13 101.482 -89.526 -76.924 1.00 44.74 O ATOM 263 C3' G A 13 99.527 -90.411 -76.108 1.00 44.95 C ATOM 264 O3' G A 13 98.776 -91.525 -75.719 1.00 44.74 O ATOM 265 C2' G A 13 100.266 -89.870 -74.921 1.00 44.90 C ATOM 266 O2' G A 13 100.800 -90.953 -74.172 1.00 45.19 O ATOM 267 C1' G A 13 101.310 -88.993 -75.625 1.00 44.75 C ATOM 268 N9 G A 13 100.799 -87.638 -75.749 1.00 44.46 N ATOM 269 C8 G A 13 100.104 -87.104 -76.798 1.00 44.49 C ATOM 270 N7 G A 13 99.740 -85.864 -76.589 1.00 44.40 N ATOM 271 C5 G A 13 100.236 -85.571 -75.329 1.00 44.32 C ATOM 272 C6 G A 13 100.142 -84.386 -74.559 1.00 44.39 C ATOM 273 O6 G A 13 99.583 -83.314 -74.854 1.00 44.50 O ATOM 274 N1 G A 13 100.776 -84.523 -73.328 1.00 44.21 N ATOM 275 C2 G A 13 101.419 -85.646 -72.903 1.00 44.11 C ATOM 276 N2 G A 13 101.965 -85.576 -71.707 1.00 43.96 N ATOM 277 N3 G A 13 101.516 -86.756 -73.608 1.00 44.19 N ATOM 278 C4 G A 13 100.900 -86.649 -74.803 1.00 44.33 C ATOM 279 P C A 14 97.223 -91.312 -75.357 1.00 44.72 P ATOM 280 OP1 C A 14 96.582 -92.653 -75.489 1.00 44.76 O ATOM 281 OP2 C A 14 96.744 -90.190 -76.212 1.00 44.73 O ATOM 282 O5' C A 14 97.232 -90.810 -73.837 1.00 44.12 O ATOM 283 C5' C A 14 98.086 -91.411 -72.863 1.00 43.21 C ATOM 284 C4' C A 14 98.134 -90.564 -71.612 1.00 42.62 C ATOM 285 O4' C A 14 98.976 -89.398 -71.811 1.00 42.41 O ATOM 286 C3' C A 14 96.830 -89.965 -71.146 1.00 42.44 C ATOM 287 O3' C A 14 96.078 -90.934 -70.441 1.00 42.30 O ATOM 288 C2' C A 14 97.348 -88.876 -70.218 1.00 42.38 C ATOM 289 O2' C A 14 97.950 -89.428 -69.069 1.00 42.67 O ATOM 290 C1' C A 14 98.497 -88.312 -71.035 1.00 42.11 C ATOM 291 N1 C A 14 98.059 -87.217 -71.920 1.00 41.84 N ATOM 292 C2 C A 14 97.998 -85.922 -71.395 1.00 41.73 C ATOM 293 O2 C A 14 98.357 -85.735 -70.232 1.00 41.84 O ATOM 294 N3 C A 14 97.553 -84.913 -72.164 1.00 41.49 N ATOM 295 C4 C A 14 97.171 -85.156 -73.410 1.00 41.38 C ATOM 296 N4 C A 14 96.677 -84.141 -74.115 1.00 41.16 N ATOM 297 C5 C A 14 97.258 -86.458 -73.986 1.00 41.38 C ATOM 298 C6 C A 14 97.701 -87.447 -73.215 1.00 41.53 C ATOM 299 P G A 15 94.471 -90.769 -70.278 1.00 42.32 P ATOM 300 OP1 G A 15 94.156 -91.761 -69.219 1.00 42.33 O ATOM 301 OP2 G A 15 93.724 -90.816 -71.590 1.00 42.27 O ATOM 302 O5' G A 15 94.260 -89.304 -69.676 1.00 42.05 O ATOM 303 C5' G A 15 93.313 -88.401 -70.268 1.00 41.55 C ATOM 304 C4' G A 15 93.354 -87.055 -69.574 1.00 41.16 C ATOM 305 O4' G A 15 94.526 -86.283 -69.998 1.00 40.98 O ATOM 306 C3' G A 15 92.182 -86.146 -69.898 1.00 41.09 C ATOM 307 O3' G A 15 91.064 -86.527 -69.088 1.00 41.11 O ATOM 308 C2' G A 15 92.761 -84.773 -69.560 1.00 40.98 C ATOM 309 O2' G A 15 92.740 -84.446 -68.183 1.00 41.29 O ATOM 310 C1' G A 15 94.186 -84.913 -70.091 1.00 40.56 C ATOM 311 N9 G A 15 94.075 -84.607 -71.493 1.00 39.86 N ATOM 312 C8 G A 15 94.073 -85.500 -72.523 1.00 39.62 C ATOM 313 N7 G A 15 93.861 -84.939 -73.681 1.00 39.54 N ATOM 314 C5 G A 15 93.747 -83.592 -73.391 1.00 39.45 C ATOM 315 C6 G A 15 93.517 -82.486 -74.238 1.00 39.27 C ATOM 316 O6 G A 15 93.411 -82.473 -75.464 1.00 39.23 O ATOM 317 N1 G A 15 93.429 -81.293 -73.516 1.00 38.99 N ATOM 318 C2 G A 15 93.570 -81.186 -72.165 1.00 38.84 C ATOM 319 N2 G A 15 93.431 -79.979 -71.678 1.00 38.71 N ATOM 320 N3 G A 15 93.820 -82.202 -71.364 1.00 39.07 N ATOM 321 C4 G A 15 93.887 -83.371 -72.039 1.00 39.55 C ATOM 322 P A A 16 89.737 -85.600 -69.013 1.00 41.04 P ATOM 323 OP1 A A 16 89.560 -85.257 -67.582 1.00 40.94 O ATOM 324 OP2 A A 16 88.634 -86.273 -69.769 1.00 41.07 O ATOM 325 O5' A A 16 90.113 -84.252 -69.769 1.00 40.77 O ATOM 326 C5' A A 16 89.134 -83.504 -70.441 1.00 40.35 C ATOM 327 C4' A A 16 89.601 -83.267 -71.839 1.00 40.09 C ATOM 328 O4' A A 16 90.580 -84.252 -72.160 1.00 40.18 O ATOM 329 C3' A A 16 88.482 -83.353 -72.850 1.00 39.90 C ATOM 330 O3' A A 16 88.118 -82.007 -73.192 1.00 39.06 O ATOM 331 C2' A A 16 88.992 -84.280 -73.963 1.00 40.16 C ATOM 332 O2' A A 16 89.105 -83.814 -75.288 1.00 40.57 O ATOM 333 C1' A A 16 90.365 -84.702 -73.458 1.00 40.51 C ATOM 334 N9 A A 16 90.597 -86.122 -73.467 1.00 40.92 N ATOM 335 C8 A A 16 90.598 -87.007 -72.418 1.00 41.13 C ATOM 336 N7 A A 16 90.953 -88.224 -72.756 1.00 41.32 N ATOM 337 C5 A A 16 91.170 -88.134 -74.122 1.00 41.32 C ATOM 338 C6 A A 16 91.566 -89.067 -75.069 1.00 41.45 C ATOM 339 N6 A A 16 91.836 -90.350 -74.777 1.00 41.40 N ATOM 340 N1 A A 16 91.685 -88.639 -76.355 1.00 41.57 N ATOM 341 C2 A A 16 91.431 -87.353 -76.640 1.00 41.38 C ATOM 342 N3 A A 16 91.059 -86.378 -75.829 1.00 41.25 N ATOM 343 C4 A A 16 90.939 -86.843 -74.573 1.00 41.22 C ATOM 344 P G A 17 89.251 -81.006 -73.745 1.00 38.31 P ATOM 345 OP1 G A 17 88.778 -80.269 -74.944 1.00 38.15 O ATOM 346 OP2 G A 17 90.529 -81.766 -73.777 1.00 38.07 O ATOM 347 O5' G A 17 89.348 -79.857 -72.660 1.00 37.92 O ATOM 348 C5' G A 17 88.768 -78.600 -72.957 1.00 36.93 C ATOM 349 C4' G A 17 88.912 -77.683 -71.793 1.00 36.29 C ATOM 350 O4' G A 17 88.524 -78.386 -70.586 1.00 36.14 O ATOM 351 C3' G A 17 90.322 -77.244 -71.474 1.00 35.92 C ATOM 352 O3' G A 17 90.695 -76.197 -72.346 1.00 35.47 O ATOM 353 C2' G A 17 90.144 -76.743 -70.052 1.00 35.80 C ATOM 354 O2' G A 17 89.459 -75.508 -70.057 1.00 35.61 O ATOM 355 C1' G A 17 89.218 -77.828 -69.484 1.00 35.84 C ATOM 356 N9 G A 17 89.930 -78.888 -68.775 1.00 35.57 N ATOM 357 C8 G A 17 90.316 -80.125 -69.218 1.00 35.51 C ATOM 358 N7 G A 17 90.966 -80.810 -68.315 1.00 35.36 N ATOM 359 C5 G A 17 91.001 -79.968 -67.227 1.00 35.48 C ATOM 360 C6 G A 17 91.575 -80.139 -65.957 1.00 35.65 C ATOM 361 O6 G A 17 92.186 -81.131 -65.507 1.00 35.90 O ATOM 362 N1 G A 17 91.388 -79.010 -65.159 1.00 35.56 N ATOM 363 C2 G A 17 90.718 -77.879 -65.541 1.00 35.53 C ATOM 364 N2 G A 17 90.623 -76.908 -64.658 1.00 35.58 N ATOM 365 N3 G A 17 90.174 -77.718 -66.711 1.00 35.62 N ATOM 366 C4 G A 17 90.357 -78.788 -67.501 1.00 35.53 C ATOM 367 P A A 18 92.212 -76.086 -72.849 1.00 35.16 P ATOM 368 OP1 A A 18 92.190 -75.022 -73.916 1.00 34.99 O ATOM 369 OP2 A A 18 92.742 -77.474 -73.153 1.00 34.91 O ATOM 370 O5' A A 18 92.982 -75.556 -71.556 1.00 34.68 O ATOM 371 C5' A A 18 92.771 -74.232 -71.068 1.00 33.95 C ATOM 372 C4' A A 18 93.366 -74.079 -69.686 1.00 33.45 C ATOM 373 O4' A A 18 92.628 -74.891 -68.743 1.00 33.41 O ATOM 374 C3' A A 18 94.806 -74.518 -69.487 1.00 33.17 C ATOM 375 O3' A A 18 95.593 -73.419 -69.769 1.00 33.14 O ATOM 376 C2' A A 18 94.864 -74.699 -67.987 1.00 33.15 C ATOM 377 O2' A A 18 94.974 -73.442 -67.320 1.00 33.15 O ATOM 378 C1' A A 18 93.500 -75.351 -67.723 1.00 32.81 C ATOM 379 N9 A A 18 93.608 -76.786 -67.875 1.00 31.99 N ATOM 380 C8 A A 18 93.367 -77.505 -69.002 1.00 31.75 C ATOM 381 N7 A A 18 93.658 -78.768 -68.888 1.00 31.49 N ATOM 382 C5 A A 18 94.094 -78.881 -67.586 1.00 31.43 C ATOM 383 C6 A A 18 94.536 -79.955 -66.857 1.00 31.18 C ATOM 384 N6 A A 18 94.639 -81.166 -67.374 1.00 30.98 N ATOM 385 N1 A A 18 94.869 -79.750 -65.564 1.00 31.09 N ATOM 386 C2 A A 18 94.754 -78.528 -65.071 1.00 31.24 C ATOM 387 N3 A A 18 94.355 -77.424 -65.671 1.00 31.45 N ATOM 388 C4 A A 18 94.037 -77.674 -66.944 1.00 31.57 C ATOM 389 P G A 19 97.079 -73.612 -70.262 1.00 33.15 P ATOM 390 OP1 G A 19 97.443 -72.248 -70.694 1.00 33.42 O ATOM 391 OP2 G A 19 97.270 -74.732 -71.173 1.00 33.40 O ATOM 392 O5' G A 19 97.880 -73.996 -68.968 1.00 33.15 O ATOM 393 C5' G A 19 98.890 -74.966 -69.035 1.00 33.05 C ATOM 394 C4' G A 19 98.703 -75.949 -67.917 1.00 33.20 C ATOM 395 O4' G A 19 97.375 -76.554 -68.009 1.00 32.98 O ATOM 396 C3' G A 19 99.688 -77.095 -67.958 1.00 33.26 C ATOM 397 O3' G A 19 100.822 -76.763 -67.180 1.00 33.72 O ATOM 398 C2' G A 19 98.911 -78.189 -67.276 1.00 33.05 C ATOM 399 O2' G A 19 98.983 -77.846 -65.915 1.00 33.12 O ATOM 400 C1' G A 19 97.496 -77.946 -67.823 1.00 32.79 C ATOM 401 N9 G A 19 97.201 -78.566 -69.109 1.00 32.37 N ATOM 402 C8 G A 19 96.753 -77.908 -70.229 1.00 32.36 C ATOM 403 N7 G A 19 96.553 -78.700 -71.247 1.00 32.17 N ATOM 404 C5 G A 19 96.885 -79.965 -70.770 1.00 31.98 C ATOM 405 C6 G A 19 96.862 -81.210 -71.406 1.00 31.66 C ATOM 406 O6 G A 19 96.521 -81.475 -72.535 1.00 31.56 O ATOM 407 N1 G A 19 97.285 -82.214 -70.578 1.00 31.53 N ATOM 408 C2 G A 19 97.673 -82.055 -69.309 1.00 31.63 C ATOM 409 N2 G A 19 98.055 -83.133 -68.713 1.00 31.84 N ATOM 410 N3 G A 19 97.693 -80.913 -68.670 1.00 32.05 N ATOM 411 C4 G A 19 97.291 -79.902 -69.458 1.00 32.19 C ATOM 412 P C A 20 102.287 -77.130 -67.732 1.00 34.25 P ATOM 413 OP1 C A 20 103.352 -76.470 -66.909 1.00 34.14 O ATOM 414 OP2 C A 20 102.223 -76.869 -69.171 1.00 34.51 O ATOM 415 O5' C A 20 102.368 -78.715 -67.631 1.00 34.50 O ATOM 416 C5' C A 20 102.174 -79.343 -66.384 1.00 35.14 C ATOM 417 C4' C A 20 102.490 -80.793 -66.504 1.00 35.61 C ATOM 418 O4' C A 20 101.327 -81.520 -66.982 1.00 35.93 O ATOM 419 C3' C A 20 103.526 -81.082 -67.558 1.00 35.87 C ATOM 420 O3' C A 20 104.796 -80.777 -67.061 1.00 35.99 O ATOM 421 C2' C A 20 103.247 -82.558 -67.832 1.00 35.91 C ATOM 422 O2' C A 20 103.559 -83.409 -66.751 1.00 35.86 O ATOM 423 C1' C A 20 101.726 -82.518 -67.911 1.00 35.86 C ATOM 424 N1 C A 20 101.279 -82.079 -69.223 1.00 35.80 N ATOM 425 C2 C A 20 101.173 -82.999 -70.223 1.00 35.98 C ATOM 426 O2 C A 20 101.461 -84.166 -69.981 1.00 35.99 O ATOM 427 N3 C A 20 100.744 -82.610 -71.444 1.00 36.08 N ATOM 428 C4 C A 20 100.411 -81.350 -71.646 1.00 35.93 C ATOM 429 N4 C A 20 99.937 -81.021 -72.836 1.00 36.09 N ATOM 430 C5 C A 20 100.532 -80.375 -70.628 1.00 35.92 C ATOM 431 C6 C A 20 100.967 -80.777 -69.444 1.00 35.75 C ATOM 432 P C A 21 106.094 -81.293 -67.837 1.00 36.39 P ATOM 433 OP1 C A 21 107.205 -80.717 -67.002 1.00 36.26 O ATOM 434 OP2 C A 21 106.036 -81.012 -69.300 1.00 36.27 O ATOM 435 O5' C A 21 106.028 -82.891 -67.778 1.00 35.70 O ATOM 436 C5' C A 21 107.169 -83.639 -68.092 1.00 35.11 C ATOM 437 C4' C A 21 106.810 -84.811 -68.926 1.00 34.93 C ATOM 438 O4' C A 21 105.483 -84.657 -69.432 1.00 34.77 O ATOM 439 C3' C A 21 107.597 -84.830 -70.200 1.00 35.12 C ATOM 440 O3' C A 21 108.916 -85.212 -69.979 1.00 35.68 O ATOM 441 C2' C A 21 106.778 -85.702 -71.128 1.00 34.74 C ATOM 442 O2' C A 21 106.955 -87.086 -70.975 1.00 34.89 O ATOM 443 C1' C A 21 105.380 -85.289 -70.717 1.00 34.36 C ATOM 444 N1 C A 21 104.813 -84.318 -71.645 1.00 33.77 N ATOM 445 C2 C A 21 104.486 -84.720 -72.901 1.00 33.32 C ATOM 446 O2 C A 21 104.767 -85.838 -73.231 1.00 33.24 O ATOM 447 N3 C A 21 103.866 -83.875 -73.727 1.00 33.11 N ATOM 448 C4 C A 21 103.589 -82.642 -73.322 1.00 33.00 C ATOM 449 N4 C A 21 102.952 -81.845 -74.138 1.00 32.79 N ATOM 450 C5 C A 21 103.956 -82.178 -72.048 1.00 33.30 C ATOM 451 C6 C A 21 104.574 -83.039 -71.243 1.00 33.62 C ATOM 452 P A A 22 110.054 -84.262 -70.541 1.00 35.86 P ATOM 453 OP1 A A 22 111.381 -84.615 -69.998 1.00 36.05 O ATOM 454 OP2 A A 22 109.506 -82.897 -70.265 1.00 35.75 O ATOM 455 O5' A A 22 110.023 -84.752 -72.054 1.00 36.12 O ATOM 456 C5' A A 22 110.030 -86.157 -72.312 1.00 36.44 C ATOM 457 C4' A A 22 109.640 -86.461 -73.744 1.00 36.87 C ATOM 458 O4' A A 22 108.261 -86.059 -74.018 1.00 36.71 O ATOM 459 C3' A A 22 110.397 -85.681 -74.782 1.00 37.20 C ATOM 460 O3' A A 22 111.721 -86.088 -74.953 1.00 37.98 O ATOM 461 C2' A A 22 109.531 -85.839 -76.018 1.00 37.01 C ATOM 462 O2' A A 22 109.749 -87.071 -76.701 1.00 37.13 O ATOM 463 C1' A A 22 108.130 -85.753 -75.398 1.00 36.57 C ATOM 464 N9 A A 22 107.442 -84.463 -75.554 1.00 35.98 N ATOM 465 C8 A A 22 107.218 -83.457 -74.652 1.00 35.68 C ATOM 466 N7 A A 22 106.454 -82.498 -75.111 1.00 35.29 N ATOM 467 C5 A A 22 106.175 -82.890 -76.409 1.00 35.40 C ATOM 468 C6 A A 22 105.409 -82.305 -77.434 1.00 35.41 C ATOM 469 N6 A A 22 104.735 -81.153 -77.295 1.00 35.17 N ATOM 470 N1 A A 22 105.364 -82.944 -78.628 1.00 35.41 N ATOM 471 C2 A A 22 106.053 -84.078 -78.771 1.00 35.47 C ATOM 472 N3 A A 22 106.806 -84.724 -77.889 1.00 35.53 N ATOM 473 C4 A A 22 106.815 -84.072 -76.710 1.00 35.66 C ATOM 474 P G A 23 112.813 -84.940 -75.166 1.00 38.81 P ATOM 475 OP1 G A 23 114.186 -85.518 -75.036 1.00 38.62 O ATOM 476 OP2 G A 23 112.388 -83.808 -74.260 1.00 38.56 O ATOM 477 O5' G A 23 112.520 -84.441 -76.659 1.00 38.76 O ATOM 478 C5' G A 23 112.400 -85.366 -77.727 1.00 39.07 C ATOM 479 C4' G A 23 111.940 -84.678 -79.019 1.00 39.36 C ATOM 480 O4' G A 23 110.507 -84.550 -79.095 1.00 39.05 O ATOM 481 C3' G A 23 112.473 -83.311 -79.413 1.00 39.65 C ATOM 482 O3' G A 23 113.765 -83.449 -79.986 1.00 40.66 O ATOM 483 C2' G A 23 111.479 -82.893 -80.498 1.00 39.42 C ATOM 484 O2' G A 23 111.811 -83.282 -81.821 1.00 39.68 O ATOM 485 C1' G A 23 110.178 -83.550 -80.027 1.00 38.86 C ATOM 486 N9 G A 23 109.397 -82.539 -79.342 1.00 38.33 N ATOM 487 C8 G A 23 109.576 -82.089 -78.063 1.00 37.96 C ATOM 488 N7 G A 23 108.824 -81.068 -77.784 1.00 37.77 N ATOM 489 C5 G A 23 108.079 -80.862 -78.942 1.00 37.67 C ATOM 490 C6 G A 23 107.112 -79.886 -79.249 1.00 37.40 C ATOM 491 O6 G A 23 106.711 -78.985 -78.571 1.00 37.28 O ATOM 492 N1 G A 23 106.615 -80.037 -80.511 1.00 37.44 N ATOM 493 C2 G A 23 106.999 -80.994 -81.384 1.00 37.63 C ATOM 494 N2 G A 23 106.382 -80.965 -82.561 1.00 37.71 N ATOM 495 N3 G A 23 107.910 -81.910 -81.129 1.00 37.73 N ATOM 496 C4 G A 23 108.401 -81.783 -79.892 1.00 37.89 C ATOM 497 P G A 24 114.648 -82.157 -80.314 1.00 41.37 P ATOM 498 OP1 G A 24 115.397 -81.878 -79.081 1.00 41.37 O ATOM 499 OP2 G A 24 113.742 -81.109 -80.863 1.00 41.55 O ATOM 500 O5' G A 24 115.625 -82.651 -81.483 1.00 42.21 O ATOM 501 C5' G A 24 115.131 -82.840 -82.811 1.00 43.98 C ATOM 502 C4' G A 24 116.051 -83.746 -83.607 1.00 45.48 C ATOM 503 O4' G A 24 115.883 -83.483 -85.003 1.00 45.68 O ATOM 504 C3' G A 24 117.509 -83.531 -83.240 1.00 46.45 C ATOM 505 O3' G A 24 118.211 -84.727 -82.751 1.00 47.87 O ATOM 506 C2' G A 24 118.199 -83.010 -84.512 1.00 46.37 C ATOM 507 O2' G A 24 119.362 -83.707 -84.882 1.00 46.40 O ATOM 508 C1' G A 24 117.122 -83.192 -85.575 1.00 46.22 C ATOM 509 N9 G A 24 116.912 -82.230 -86.639 1.00 46.46 N ATOM 510 C8 G A 24 116.943 -82.542 -87.962 1.00 46.56 C ATOM 511 N7 G A 24 116.546 -81.567 -88.725 1.00 46.83 N ATOM 512 C5 G A 24 116.279 -80.523 -87.848 1.00 46.81 C ATOM 513 C6 G A 24 115.782 -79.232 -88.096 1.00 46.87 C ATOM 514 O6 G A 24 115.474 -78.719 -89.187 1.00 47.12 O ATOM 515 N1 G A 24 115.634 -78.511 -86.929 1.00 46.71 N ATOM 516 C2 G A 24 115.918 -78.958 -85.697 1.00 46.65 C ATOM 517 N2 G A 24 115.680 -78.091 -84.707 1.00 46.77 N ATOM 518 N3 G A 24 116.389 -80.159 -85.438 1.00 46.74 N ATOM 519 C4 G A 24 116.541 -80.894 -86.559 1.00 46.71 C HETATM 520 P 5BU A 25 117.460 -86.176 -82.467 1.00 49.00 P HETATM 521 OP1 5BU A 25 117.959 -86.586 -81.111 1.00 48.93 O HETATM 522 OP2 5BU A 25 117.569 -87.118 -83.602 1.00 48.90 O HETATM 523 O5' 5BU A 25 115.881 -85.978 -82.359 1.00 49.99 O HETATM 524 C5' 5BU A 25 115.012 -87.069 -82.654 1.00 51.21 C HETATM 525 C4' 5BU A 25 113.590 -86.595 -82.821 1.00 52.07 C HETATM 526 O4' 5BU A 25 113.583 -85.348 -83.539 1.00 52.73 O HETATM 527 C3' 5BU A 25 112.765 -87.529 -83.688 1.00 52.46 C HETATM 528 O3' 5BU A 25 112.167 -88.526 -82.898 1.00 52.53 O HETATM 529 C2' 5BU A 25 111.735 -86.600 -84.270 1.00 52.76 C HETATM 530 O2' 5BU A 25 110.784 -86.283 -83.277 1.00 52.76 O HETATM 531 C1' 5BU A 25 112.607 -85.386 -84.574 1.00 53.36 C HETATM 532 N1 5BU A 25 113.329 -85.482 -85.850 1.00 54.13 N HETATM 533 C2 5BU A 25 112.659 -85.230 -87.021 1.00 54.52 C HETATM 534 O2 5BU A 25 111.504 -84.883 -87.073 1.00 54.41 O HETATM 535 N3 5BU A 25 113.408 -85.393 -88.150 1.00 55.06 N HETATM 536 C4 5BU A 25 114.728 -85.750 -88.214 1.00 55.59 C HETATM 537 O4 5BU A 25 115.295 -85.851 -89.296 1.00 55.50 O HETATM 538 C5 5BU A 25 115.333 -85.960 -86.981 1.00 55.80 C HETATM 539 C6 5BU A 25 114.641 -85.827 -85.861 1.00 55.19 C HETATM 540 BR 5BU A 25 117.161 -86.415 -86.944 1.00 58.48 BR ATOM 541 P A A 26 112.664 -90.043 -83.038 1.00 52.44 P ATOM 542 OP1 A A 26 112.996 -90.493 -81.659 1.00 52.36 O ATOM 543 OP2 A A 26 113.701 -90.120 -84.112 1.00 52.34 O ATOM 544 O5' A A 26 111.369 -90.766 -83.607 1.00 52.17 O ATOM 545 C5' A A 26 111.496 -91.603 -84.742 1.00 51.93 C ATOM 546 C4' A A 26 110.432 -91.294 -85.763 1.00 51.59 C ATOM 547 O4' A A 26 109.146 -91.342 -85.102 1.00 51.68 O ATOM 548 C3' A A 26 110.477 -89.939 -86.440 1.00 51.27 C ATOM 549 O3' A A 26 111.355 -90.035 -87.560 1.00 50.81 O ATOM 550 C2' A A 26 109.021 -89.785 -86.879 1.00 51.37 C ATOM 551 O2' A A 26 108.690 -90.549 -88.023 1.00 51.28 O ATOM 552 C1' A A 26 108.281 -90.394 -85.687 1.00 51.48 C ATOM 553 N9 A A 26 107.940 -89.430 -84.654 1.00 51.42 N ATOM 554 C8 A A 26 108.517 -89.281 -83.422 1.00 51.42 C ATOM 555 N7 A A 26 108.013 -88.294 -82.723 1.00 51.44 N ATOM 556 C5 A A 26 107.035 -87.770 -83.554 1.00 51.39 C ATOM 557 C6 A A 26 106.154 -86.706 -83.402 1.00 51.36 C ATOM 558 N6 A A 26 106.099 -85.951 -82.312 1.00 51.35 N ATOM 559 N1 A A 26 105.316 -86.436 -84.419 1.00 51.44 N ATOM 560 C2 A A 26 105.362 -87.207 -85.512 1.00 51.45 C ATOM 561 N3 A A 26 106.147 -88.247 -85.769 1.00 51.49 N ATOM 562 C4 A A 26 106.974 -88.471 -84.738 1.00 51.39 C ATOM 563 P A A 27 112.086 -88.716 -88.152 1.00 50.39 P ATOM 564 OP1 A A 27 112.834 -89.116 -89.374 1.00 50.58 O ATOM 565 OP2 A A 27 112.846 -88.111 -87.014 1.00 50.52 O ATOM 566 O5' A A 27 110.884 -87.755 -88.618 1.00 49.80 O ATOM 567 C5' A A 27 110.133 -88.001 -89.807 1.00 48.75 C ATOM 568 C4' A A 27 109.007 -86.998 -89.954 1.00 48.15 C ATOM 569 O4' A A 27 107.999 -87.213 -88.936 1.00 47.95 O ATOM 570 C3' A A 27 109.366 -85.535 -89.801 1.00 47.99 C ATOM 571 O3' A A 27 109.889 -85.020 -91.013 1.00 47.84 O ATOM 572 C2' A A 27 108.016 -84.910 -89.459 1.00 47.87 C ATOM 573 O2' A A 27 107.139 -84.684 -90.561 1.00 47.84 O ATOM 574 C1' A A 27 107.438 -85.973 -88.534 1.00 47.74 C ATOM 575 N9 A A 27 107.873 -85.716 -87.170 1.00 47.71 N ATOM 576 C8 A A 27 108.819 -86.415 -86.462 1.00 47.55 C ATOM 577 N7 A A 27 109.052 -85.932 -85.273 1.00 47.48 N ATOM 578 C5 A A 27 108.204 -84.840 -85.179 1.00 47.51 C ATOM 579 C6 A A 27 107.997 -83.894 -84.167 1.00 47.54 C ATOM 580 N6 A A 27 108.686 -83.877 -83.010 1.00 47.52 N ATOM 581 N1 A A 27 107.057 -82.945 -84.383 1.00 47.43 N ATOM 582 C2 A A 27 106.389 -82.950 -85.542 1.00 47.50 C ATOM 583 N3 A A 27 106.512 -83.769 -86.581 1.00 47.58 N ATOM 584 C4 A A 27 107.451 -84.705 -86.334 1.00 47.65 C ATOM 585 P C A 28 110.966 -83.820 -90.974 1.00 47.76 P ATOM 586 OP1 C A 28 111.404 -83.587 -92.371 1.00 47.73 O ATOM 587 OP2 C A 28 111.979 -84.225 -89.940 1.00 47.45 O ATOM 588 O5' C A 28 110.135 -82.522 -90.525 1.00 47.28 O ATOM 589 C5' C A 28 109.045 -82.012 -91.304 1.00 46.74 C ATOM 590 C4' C A 28 108.372 -80.812 -90.610 1.00 46.49 C ATOM 591 O4' C A 28 107.841 -81.204 -89.310 1.00 46.36 O ATOM 592 C3' C A 28 109.209 -79.565 -90.322 1.00 46.27 C ATOM 593 O3' C A 28 109.219 -78.701 -91.460 1.00 45.78 O ATOM 594 C2' C A 28 108.449 -78.901 -89.171 1.00 46.27 C ATOM 595 O2' C A 28 107.357 -78.109 -89.569 1.00 46.48 O ATOM 596 C1' C A 28 107.856 -80.097 -88.434 1.00 46.25 C ATOM 597 N1 C A 28 108.561 -80.451 -87.192 1.00 46.16 N ATOM 598 C2 C A 28 108.400 -79.615 -86.097 1.00 46.05 C ATOM 599 O2 C A 28 107.658 -78.634 -86.217 1.00 45.94 O ATOM 600 N3 C A 28 109.051 -79.898 -84.941 1.00 45.99 N ATOM 601 C4 C A 28 109.822 -80.980 -84.860 1.00 46.06 C ATOM 602 N4 C A 28 110.451 -81.220 -83.708 1.00 46.28 N ATOM 603 C5 C A 28 109.993 -81.862 -85.957 1.00 46.07 C ATOM 604 C6 C A 28 109.354 -81.560 -87.100 1.00 46.13 C ATOM 605 P G A 29 110.622 -78.224 -92.093 1.00 45.41 P ATOM 606 OP1 G A 29 110.388 -77.939 -93.541 1.00 45.41 O ATOM 607 OP2 G A 29 111.645 -79.212 -91.680 1.00 45.40 O ATOM 608 O5' G A 29 111.009 -76.837 -91.381 1.00 45.15 O ATOM 609 C5' G A 29 110.088 -75.699 -91.323 1.00 44.42 C ATOM 610 C4' G A 29 110.808 -74.466 -90.786 1.00 43.74 C ATOM 611 O4' G A 29 111.423 -74.844 -89.556 1.00 43.60 O ATOM 612 C3' G A 29 111.922 -73.930 -91.693 1.00 43.33 C ATOM 613 O3' G A 29 111.722 -72.530 -92.001 1.00 42.79 O ATOM 614 C2' G A 29 113.178 -73.893 -90.820 1.00 43.35 C ATOM 615 O2' G A 29 113.825 -72.648 -90.880 1.00 43.37 O ATOM 616 C1' G A 29 112.600 -74.132 -89.434 1.00 43.48 C ATOM 617 N9 G A 29 113.351 -74.647 -88.306 1.00 43.70 N ATOM 618 C8 G A 29 113.972 -75.857 -88.146 1.00 43.73 C ATOM 619 N7 G A 29 114.446 -76.023 -86.938 1.00 43.83 N ATOM 620 C5 G A 29 114.141 -74.840 -86.282 1.00 43.84 C ATOM 621 C6 G A 29 114.393 -74.437 -84.955 1.00 44.02 C ATOM 622 O6 G A 29 114.987 -75.062 -84.061 1.00 44.42 O ATOM 623 N1 G A 29 113.898 -73.160 -84.701 1.00 43.95 N ATOM 624 C2 G A 29 113.263 -72.362 -85.626 1.00 43.95 C ATOM 625 N2 G A 29 112.875 -71.129 -85.226 1.00 43.81 N ATOM 626 N3 G A 29 113.028 -72.736 -86.868 1.00 43.93 N ATOM 627 C4 G A 29 113.490 -73.976 -87.121 1.00 43.81 C ATOM 628 P A A 30 110.504 -72.012 -92.931 1.00 42.38 P ATOM 629 OP1 A A 30 109.831 -73.152 -93.572 1.00 42.63 O ATOM 630 OP2 A A 30 111.020 -70.885 -93.778 1.00 42.40 O ATOM 631 O5' A A 30 109.430 -71.413 -91.923 1.00 42.02 O ATOM 632 C5' A A 30 109.279 -69.993 -91.745 1.00 41.25 C ATOM 633 C4' A A 30 107.952 -69.683 -91.087 1.00 40.71 C ATOM 634 O4' A A 30 107.621 -70.619 -90.047 1.00 40.56 O ATOM 635 C3' A A 30 107.866 -68.316 -90.441 1.00 40.57 C ATOM 636 O3' A A 30 106.944 -67.576 -91.219 1.00 40.29 O ATOM 637 C2' A A 30 107.078 -68.527 -89.142 1.00 40.50 C ATOM 638 O2' A A 30 105.929 -67.703 -89.116 1.00 40.77 O ATOM 639 C1' A A 30 106.676 -70.001 -89.234 1.00 40.29 C ATOM 640 N9 A A 30 106.518 -70.750 -88.005 1.00 39.91 N ATOM 641 C8 A A 30 105.564 -71.682 -87.669 1.00 39.74 C ATOM 642 N7 A A 30 105.716 -72.179 -86.469 1.00 39.56 N ATOM 643 C5 A A 30 106.835 -71.523 -85.993 1.00 39.44 C ATOM 644 C6 A A 30 107.516 -71.617 -84.813 1.00 39.39 C ATOM 645 N6 A A 30 107.167 -72.435 -83.823 1.00 39.42 N ATOM 646 N1 A A 30 108.600 -70.840 -84.659 1.00 39.49 N ATOM 647 C2 A A 30 108.963 -70.037 -85.665 1.00 39.52 C ATOM 648 N3 A A 30 108.401 -69.866 -86.842 1.00 39.39 N ATOM 649 C4 A A 30 107.330 -70.644 -86.933 1.00 39.59 C ATOM 650 P A A 31 107.428 -66.777 -92.494 1.00 40.04 P ATOM 651 OP1 A A 31 106.195 -66.478 -93.265 1.00 40.34 O ATOM 652 OP2 A A 31 108.514 -67.560 -93.106 1.00 40.17 O ATOM 653 O5' A A 31 108.115 -65.447 -91.941 1.00 39.92 O ATOM 654 C5' A A 31 107.436 -64.529 -91.085 1.00 39.45 C ATOM 655 C4' A A 31 108.420 -63.916 -90.096 1.00 39.08 C ATOM 656 O4' A A 31 108.709 -64.840 -89.012 1.00 38.98 O ATOM 657 C3' A A 31 109.764 -63.510 -90.684 1.00 38.67 C ATOM 658 O3' A A 31 109.621 -62.155 -91.069 1.00 38.58 O ATOM 659 C2' A A 31 110.695 -63.610 -89.484 1.00 38.58 C ATOM 660 O2' A A 31 110.636 -62.451 -88.687 1.00 38.13 O ATOM 661 C1' A A 31 110.089 -64.789 -88.702 1.00 38.67 C ATOM 662 N9 A A 31 110.678 -66.101 -89.006 1.00 38.35 N ATOM 663 C8 A A 31 111.086 -66.541 -90.226 1.00 38.36 C ATOM 664 N7 A A 31 111.641 -67.730 -90.197 1.00 38.32 N ATOM 665 C5 A A 31 111.571 -68.098 -88.867 1.00 37.98 C ATOM 666 C6 A A 31 111.993 -69.245 -88.188 1.00 37.78 C ATOM 667 N6 A A 31 112.583 -70.273 -88.770 1.00 37.64 N ATOM 668 N1 A A 31 111.785 -69.299 -86.871 1.00 37.62 N ATOM 669 C2 A A 31 111.182 -68.273 -86.293 1.00 37.63 C ATOM 670 N3 A A 31 110.730 -67.144 -86.823 1.00 37.80 N ATOM 671 C4 A A 31 110.966 -67.115 -88.128 1.00 37.98 C HETATM 672 P 5BU A 32 110.151 -61.668 -92.482 1.00 38.26 P HETATM 673 OP1 5BU A 32 109.837 -60.224 -92.603 1.00 38.51 O HETATM 674 OP2 5BU A 32 109.588 -62.617 -93.458 1.00 38.27 O HETATM 675 O5' 5BU A 32 111.725 -61.840 -92.360 1.00 38.31 O HETATM 676 C5' 5BU A 32 112.540 -61.963 -93.505 1.00 38.44 C HETATM 677 C4' 5BU A 32 113.975 -61.874 -93.100 1.00 38.74 C HETATM 678 O4' 5BU A 32 114.174 -60.556 -92.564 1.00 39.15 O HETATM 679 C3' 5BU A 32 114.362 -62.797 -91.969 1.00 38.74 C HETATM 680 O3' 5BU A 32 114.744 -64.072 -92.454 1.00 38.12 O HETATM 681 C2' 5BU A 32 115.507 -62.042 -91.328 1.00 39.19 C HETATM 682 O2' 5BU A 32 116.677 -62.123 -92.077 1.00 39.48 O HETATM 683 C1' 5BU A 32 115.030 -60.606 -91.455 1.00 39.57 C HETATM 684 N1 5BU A 32 114.314 -60.126 -90.270 1.00 40.31 N HETATM 685 C2 5BU A 32 115.060 -59.955 -89.175 1.00 40.59 C HETATM 686 O2 5BU A 32 116.250 -60.165 -89.184 1.00 40.54 O HETATM 687 N3 5BU A 32 114.386 -59.533 -88.065 1.00 40.86 N HETATM 688 C4 5BU A 32 113.057 -59.263 -87.965 1.00 41.37 C HETATM 689 O4 5BU A 32 112.564 -58.895 -86.894 1.00 41.27 O HETATM 690 C5 5BU A 32 112.352 -59.447 -89.139 1.00 41.57 C HETATM 691 C6 5BU A 32 112.975 -59.867 -90.243 1.00 41.20 C HETATM 692 BR 5BU A 32 110.511 -59.052 -89.140 1.00 43.84 BR ATOM 693 P G A 33 113.756 -65.318 -92.210 1.00 38.19 P ATOM 694 OP1 G A 33 114.361 -66.618 -92.564 1.00 38.31 O ATOM 695 OP2 G A 33 112.367 -65.032 -92.682 1.00 38.00 O ATOM 696 O5' G A 33 113.753 -65.359 -90.628 1.00 37.65 O ATOM 697 C5' G A 33 114.981 -65.340 -89.954 1.00 36.76 C ATOM 698 C4' G A 33 114.758 -64.964 -88.544 1.00 36.11 C ATOM 699 O4' G A 33 113.857 -65.933 -87.953 1.00 36.02 O ATOM 700 C3' G A 33 116.008 -65.010 -87.695 1.00 35.61 C ATOM 701 O3' G A 33 116.684 -63.788 -87.851 1.00 34.91 O ATOM 702 C2' G A 33 115.412 -65.187 -86.307 1.00 35.69 C ATOM 703 O2' G A 33 114.949 -63.975 -85.736 1.00 35.94 O ATOM 704 C1' G A 33 114.245 -66.147 -86.609 1.00 35.60 C ATOM 705 N9 G A 33 114.716 -67.515 -86.496 1.00 35.35 N ATOM 706 C8 G A 33 114.861 -68.468 -87.462 1.00 35.05 C ATOM 707 N7 G A 33 115.384 -69.571 -87.004 1.00 35.10 N ATOM 708 C5 G A 33 115.577 -69.325 -85.656 1.00 35.15 C ATOM 709 C6 G A 33 116.115 -70.125 -84.618 1.00 35.14 C ATOM 710 O6 G A 33 116.543 -71.276 -84.668 1.00 35.24 O ATOM 711 N1 G A 33 116.128 -69.444 -83.408 1.00 35.05 N ATOM 712 C2 G A 33 115.684 -68.176 -83.222 1.00 34.89 C ATOM 713 N2 G A 33 115.814 -67.663 -82.046 1.00 35.13 N ATOM 714 N3 G A 33 115.164 -67.447 -84.143 1.00 35.07 N ATOM 715 C4 G A 33 115.150 -68.067 -85.334 1.00 35.29 C ATOM 716 P G A 34 118.276 -63.733 -87.702 1.00 34.85 P ATOM 717 OP1 G A 34 118.714 -62.357 -88.039 1.00 34.58 O ATOM 718 OP2 G A 34 118.884 -64.884 -88.448 1.00 34.86 O ATOM 719 O5' G A 34 118.510 -63.965 -86.137 1.00 34.25 O ATOM 720 C5' G A 34 118.067 -62.991 -85.198 1.00 33.69 C ATOM 721 C4' G A 34 118.565 -63.323 -83.826 1.00 33.19 C ATOM 722 O4' G A 34 117.880 -64.479 -83.279 1.00 33.11 O ATOM 723 C3' G A 34 120.013 -63.713 -83.824 1.00 32.93 C ATOM 724 O3' G A 34 120.792 -62.552 -83.789 1.00 32.81 O ATOM 725 C2' G A 34 120.136 -64.536 -82.555 1.00 32.84 C ATOM 726 O2' G A 34 120.331 -63.779 -81.380 1.00 32.93 O ATOM 727 C1' G A 34 118.794 -65.258 -82.538 1.00 32.67 C ATOM 728 N9 G A 34 118.936 -66.523 -83.224 1.00 32.42 N ATOM 729 C8 G A 34 118.609 -66.793 -84.520 1.00 32.35 C ATOM 730 N7 G A 34 118.860 -68.027 -84.856 1.00 32.41 N ATOM 731 C5 G A 34 119.388 -68.592 -83.707 1.00 32.18 C ATOM 732 C6 G A 34 119.839 -69.879 -83.460 1.00 32.04 C ATOM 733 O6 G A 34 119.877 -70.817 -84.199 1.00 32.02 O ATOM 734 N1 G A 34 120.276 -70.030 -82.172 1.00 32.15 N ATOM 735 C2 G A 34 120.268 -69.061 -81.230 1.00 32.13 C ATOM 736 N2 G A 34 120.689 -69.424 -80.053 1.00 32.29 N ATOM 737 N3 G A 34 119.865 -67.842 -81.437 1.00 32.19 N ATOM 738 C4 G A 34 119.436 -67.675 -82.696 1.00 32.28 C ATOM 739 P A A 35 122.356 -62.656 -84.057 1.00 32.69 P ATOM 740 OP1 A A 35 122.842 -61.298 -83.699 1.00 32.64 O ATOM 741 OP2 A A 35 122.559 -63.190 -85.428 1.00 32.43 O ATOM 742 O5' A A 35 122.796 -63.748 -82.983 1.00 32.65 O ATOM 743 C5' A A 35 124.128 -64.207 -82.891 1.00 32.82 C ATOM 744 C4' A A 35 124.242 -65.241 -81.804 1.00 33.02 C ATOM 745 O4' A A 35 123.214 -66.228 -81.975 1.00 32.42 O ATOM 746 C3' A A 35 125.512 -66.057 -81.847 1.00 33.45 C ATOM 747 O3' A A 35 126.594 -65.446 -81.196 1.00 35.01 O ATOM 748 C2' A A 35 125.150 -67.321 -81.123 1.00 32.75 C ATOM 749 O2' A A 35 125.300 -67.129 -79.762 1.00 32.48 O ATOM 750 C1' A A 35 123.687 -67.463 -81.495 1.00 32.31 C ATOM 751 N9 A A 35 123.496 -68.455 -82.530 1.00 31.73 N ATOM 752 C8 A A 35 122.917 -68.291 -83.732 1.00 31.56 C ATOM 753 N7 A A 35 122.782 -69.391 -84.404 1.00 31.47 N ATOM 754 C5 A A 35 123.352 -70.347 -83.592 1.00 31.15 C ATOM 755 C6 A A 35 123.517 -71.720 -83.733 1.00 30.89 C ATOM 756 N6 A A 35 123.110 -72.405 -84.797 1.00 30.28 N ATOM 757 N1 A A 35 124.125 -72.382 -82.724 1.00 30.92 N ATOM 758 C2 A A 35 124.534 -71.693 -81.664 1.00 30.96 C ATOM 759 N3 A A 35 124.429 -70.396 -81.421 1.00 31.21 N ATOM 760 C4 A A 35 123.815 -69.777 -82.441 1.00 31.38 C HETATM 761 P 5BU A 36 128.049 -65.663 -81.804 1.00 36.32 P HETATM 762 OP1 5BU A 36 128.854 -64.533 -81.315 1.00 36.25 O HETATM 763 OP2 5BU A 36 127.913 -65.917 -83.275 1.00 36.47 O HETATM 764 O5' 5BU A 36 128.529 -67.054 -81.219 1.00 37.69 O HETATM 765 C5' 5BU A 36 128.936 -67.165 -79.870 1.00 40.14 C HETATM 766 C4' 5BU A 36 129.155 -68.606 -79.526 1.00 41.83 C HETATM 767 O4' 5BU A 36 127.986 -69.349 -79.968 1.00 42.69 O HETATM 768 C3' 5BU A 36 130.254 -69.300 -80.295 1.00 42.72 C HETATM 769 O3' 5BU A 36 131.560 -69.022 -79.821 1.00 43.15 O HETATM 770 C2' 5BU A 36 129.865 -70.759 -80.119 1.00 43.17 C HETATM 771 O2' 5BU A 36 130.106 -71.212 -78.798 1.00 43.42 O HETATM 772 C1' 5BU A 36 128.360 -70.665 -80.323 1.00 43.53 C HETATM 773 N1 5BU A 36 127.952 -70.884 -81.707 1.00 44.51 N HETATM 774 C2 5BU A 36 128.032 -72.149 -82.191 1.00 44.93 C HETATM 775 O2 5BU A 36 128.514 -73.046 -81.562 1.00 44.96 O HETATM 776 N3 5BU A 36 127.543 -72.316 -83.445 1.00 45.30 N HETATM 777 C4 5BU A 36 127.031 -71.343 -84.244 1.00 46.05 C HETATM 778 O4 5BU A 36 126.603 -71.615 -85.356 1.00 46.02 O HETATM 779 C5 5BU A 36 127.039 -70.071 -83.687 1.00 46.32 C HETATM 780 C6 5BU A 36 127.486 -69.875 -82.465 1.00 45.63 C HETATM 781 BR 5BU A 36 126.441 -68.640 -84.721 1.00 49.39 BR ATOM 782 P C A 37 132.788 -69.192 -80.834 1.00 43.59 P ATOM 783 OP1 C A 37 133.970 -68.575 -80.177 1.00 43.37 O ATOM 784 OP2 C A 37 132.352 -68.746 -82.189 1.00 43.58 O ATOM 785 O5' C A 37 132.951 -70.764 -81.062 1.00 43.78 O ATOM 786 C5' C A 37 133.450 -71.609 -80.041 1.00 44.17 C ATOM 787 C4' C A 37 133.344 -73.029 -80.487 1.00 44.45 C ATOM 788 O4' C A 37 132.013 -73.221 -81.028 1.00 44.34 O ATOM 789 C3' C A 37 134.182 -73.399 -81.690 1.00 44.93 C ATOM 790 O3' C A 37 135.552 -73.528 -81.378 1.00 45.67 O ATOM 791 C2' C A 37 133.488 -74.670 -82.180 1.00 44.72 C ATOM 792 O2' C A 37 133.709 -75.847 -81.416 1.00 44.92 O ATOM 793 C1' C A 37 132.039 -74.261 -82.004 1.00 44.23 C ATOM 794 N1 C A 37 131.455 -73.769 -83.247 1.00 43.71 N ATOM 795 C2 C A 37 131.010 -74.710 -84.146 1.00 43.44 C ATOM 796 O2 C A 37 131.257 -75.892 -83.904 1.00 43.13 O ATOM 797 N3 C A 37 130.332 -74.315 -85.260 1.00 43.29 N ATOM 798 C4 C A 37 130.138 -73.010 -85.487 1.00 43.29 C ATOM 799 N4 C A 37 129.442 -72.659 -86.566 1.00 42.99 N ATOM 800 C5 C A 37 130.652 -72.006 -84.601 1.00 43.37 C ATOM 801 C6 C A 37 131.303 -72.431 -83.500 1.00 43.57 C ATOM 802 P C A 38 136.596 -72.564 -82.122 1.00 46.47 P ATOM 803 OP1 C A 38 137.342 -71.725 -81.117 1.00 46.19 O ATOM 804 OP2 C A 38 135.811 -71.905 -83.210 1.00 46.54 O ATOM 805 O5' C A 38 137.543 -73.568 -82.911 1.00 46.61 O ATOM 806 C5' C A 38 137.644 -74.908 -82.483 1.00 47.01 C ATOM 807 C4' C A 38 136.991 -75.838 -83.471 1.00 47.18 C ATOM 808 O4' C A 38 135.583 -75.540 -83.600 1.00 47.17 O ATOM 809 C3' C A 38 137.459 -75.778 -84.914 1.00 47.34 C ATOM 810 O3' C A 38 138.780 -76.328 -85.103 1.00 47.47 O ATOM 811 C2' C A 38 136.318 -76.512 -85.645 1.00 47.34 C ATOM 812 O2' C A 38 136.353 -77.924 -85.832 1.00 47.54 O ATOM 813 C1' C A 38 135.105 -76.129 -84.797 1.00 47.22 C ATOM 814 N1 C A 38 134.376 -75.139 -85.558 1.00 47.16 N ATOM 815 C2 C A 38 133.700 -75.571 -86.715 1.00 47.15 C ATOM 816 O2 C A 38 133.703 -76.802 -86.981 1.00 47.07 O ATOM 817 N3 C A 38 133.074 -74.643 -87.511 1.00 47.08 N ATOM 818 C4 C A 38 133.116 -73.343 -87.174 1.00 47.09 C ATOM 819 N4 C A 38 132.521 -72.454 -87.980 1.00 47.06 N ATOM 820 C5 C A 38 133.779 -72.891 -85.981 1.00 47.26 C ATOM 821 C6 C A 38 134.380 -73.819 -85.202 1.00 47.20 C TER 822 C A 38 HETATM 823 SR SR A 201 118.995 -59.884 -88.903 1.00 44.45 SR HETATM 824 SR SR A 202 121.008 -70.704 -88.597 1.00100.00 SR HETATM 825 SR SR A 203 115.135 -81.690 -92.803 0.77100.00 SR HETATM 826 SR SR A 204 107.542 -77.972 -74.382 0.96100.00 SR HETATM 827 SR SR A 205 111.121 -66.938 -94.861 0.54 70.89 SR HETATM 828 SR SR A 206 116.784 -67.606 -92.518 0.66 71.34 SR HETATM 829 SR SR A 208 95.755 -85.123 -78.557 0.73 98.99 SR HETATM 830 SR SR A 209 97.024 -75.247 -75.200 0.52 78.28 SR HETATM 831 C1 ROS A 101 111.283 -75.053 -81.421 1.00 22.07 C HETATM 832 C2 ROS A 101 111.875 -76.278 -81.938 1.00 21.96 C HETATM 833 C3 ROS A 101 111.580 -76.503 -83.284 1.00 22.28 C HETATM 834 O2 ROS A 101 112.210 -77.766 -83.761 1.00 22.55 O HETATM 835 C4 ROS A 101 111.944 -77.958 -84.994 1.00 22.63 C HETATM 836 C5 ROS A 101 112.592 -79.217 -85.361 1.00 22.60 C HETATM 837 C6 ROS A 101 112.404 -79.594 -86.738 1.00 22.78 C HETATM 838 C7 ROS A 101 111.666 -78.803 -87.653 1.00 22.81 C HETATM 839 C8 ROS A 101 111.039 -77.567 -87.223 1.00 22.81 C HETATM 840 C9 ROS A 101 111.202 -77.177 -85.844 1.00 22.51 C HETATM 841 C10 ROS A 101 110.505 -75.888 -85.477 1.00 22.51 C HETATM 842 C11 ROS A 101 110.813 -75.697 -84.118 1.00 22.29 C HETATM 843 C12 ROS A 101 110.220 -74.472 -83.577 1.00 22.06 C HETATM 844 C13 ROS A 101 110.509 -74.216 -82.201 1.00 22.00 C HETATM 845 C14 ROS A 101 109.762 -75.149 -86.378 1.00 22.90 C HETATM 846 C15 ROS A 101 110.121 -73.882 -86.894 1.00 22.88 C HETATM 847 C16 ROS A 101 109.392 -73.130 -87.817 1.00 23.03 C HETATM 848 C17 ROS A 101 108.135 -73.649 -88.335 1.00 23.09 C HETATM 849 C18 ROS A 101 107.799 -74.912 -87.791 1.00 23.29 C HETATM 850 C19 ROS A 101 108.496 -75.698 -86.863 1.00 23.13 C HETATM 851 N1 ROS A 101 111.487 -74.688 -80.098 1.00 21.81 N HETATM 852 C20 ROS A 101 112.301 -75.489 -79.188 1.00 21.63 C HETATM 853 C21 ROS A 101 110.950 -73.485 -79.427 1.00 22.11 C HETATM 854 N2 ROS A 101 113.013 -80.819 -87.060 1.00 22.90 N HETATM 855 C22 ROS A 101 113.777 -81.783 -86.237 1.00 22.74 C HETATM 856 C23 ROS A 101 112.885 -81.300 -88.481 1.00 22.90 C HETATM 857 O HOH A 301 98.321 -82.595 -77.899 1.00 60.84 O HETATM 858 O HOH A 302 110.467 -76.170 -75.553 1.00 35.25 O HETATM 859 O HOH A 303 116.460 -92.269 -81.016 1.00 38.95 O HETATM 860 O HOH A 304 114.624 -69.263 -92.500 1.00 18.55 O HETATM 861 O HOH A 305 121.414 -81.872 -83.924 1.00 20.31 O CONECT 52 66 CONECT 66 52 67 68 69 CONECT 67 66 CONECT 68 66 CONECT 69 66 70 CONECT 70 69 71 CONECT 71 70 72 73 CONECT 72 71 77 CONECT 73 71 74 75 CONECT 74 73 87 CONECT 75 73 76 77 CONECT 76 75 CONECT 77 72 75 78 CONECT 78 77 79 85 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 86 CONECT 85 78 84 CONECT 86 84 CONECT 87 74 CONECT 200 212 CONECT 212 200 213 214 215 CONECT 213 212 CONECT 214 212 CONECT 215 212 216 CONECT 216 215 217 CONECT 217 216 218 219 CONECT 218 217 223 CONECT 219 217 220 221 CONECT 220 219 233 CONECT 221 219 222 223 CONECT 222 221 CONECT 223 218 221 224 CONECT 224 223 225 231 CONECT 225 224 226 227 CONECT 226 225 CONECT 227 225 228 CONECT 228 227 229 230 CONECT 229 228 CONECT 230 228 231 232 CONECT 231 224 230 CONECT 232 230 CONECT 233 220 CONECT 505 520 CONECT 520 505 521 522 523 CONECT 521 520 CONECT 522 520 CONECT 523 520 524 CONECT 524 523 525 CONECT 525 524 526 527 CONECT 526 525 531 CONECT 527 525 528 529 CONECT 528 527 541 CONECT 529 527 530 531 CONECT 530 529 CONECT 531 526 529 532 CONECT 532 531 533 539 CONECT 533 532 534 535 CONECT 534 533 CONECT 535 533 536 CONECT 536 535 537 538 CONECT 537 536 CONECT 538 536 539 540 CONECT 539 532 538 CONECT 540 538 CONECT 541 528 CONECT 652 827 CONECT 658 672 CONECT 672 658 673 674 675 CONECT 673 672 CONECT 674 672 CONECT 675 672 676 CONECT 676 675 677 CONECT 677 676 678 679 CONECT 678 677 683 CONECT 679 677 680 681 CONECT 680 679 693 CONECT 681 679 682 683 CONECT 682 681 CONECT 683 678 681 684 CONECT 684 683 685 691 CONECT 685 684 686 687 CONECT 686 685 823 CONECT 687 685 688 CONECT 688 687 689 690 CONECT 689 688 CONECT 690 688 691 692 CONECT 691 684 690 CONECT 692 690 CONECT 693 680 CONECT 694 828 CONECT 695 827 CONECT 717 823 CONECT 747 761 CONECT 761 747 762 763 764 CONECT 762 761 CONECT 763 761 CONECT 764 761 765 CONECT 765 764 766 CONECT 766 765 767 768 CONECT 767 766 772 CONECT 768 766 769 770 CONECT 769 768 782 CONECT 770 768 771 772 CONECT 771 770 CONECT 772 767 770 773 CONECT 773 772 774 780 CONECT 774 773 775 776 CONECT 775 774 CONECT 776 774 777 CONECT 777 776 778 779 CONECT 778 777 CONECT 779 777 780 781 CONECT 780 773 779 CONECT 781 779 CONECT 782 769 CONECT 823 686 717 CONECT 827 652 695 CONECT 828 694 860 CONECT 831 832 844 851 CONECT 832 831 833 CONECT 833 832 834 842 CONECT 834 833 835 CONECT 835 834 836 840 CONECT 836 835 837 CONECT 837 836 838 854 CONECT 838 837 839 CONECT 839 838 840 CONECT 840 835 839 841 CONECT 841 840 842 845 CONECT 842 833 841 843 CONECT 843 842 844 CONECT 844 831 843 CONECT 845 841 846 850 CONECT 846 845 847 CONECT 847 846 848 CONECT 848 847 849 CONECT 849 848 850 CONECT 850 845 849 CONECT 851 831 852 853 CONECT 852 851 CONECT 853 851 CONECT 854 837 855 856 CONECT 855 854 CONECT 856 854 CONECT 860 828 MASTER 333 0 14 0 0 0 5 6 860 1 149 3 END
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Related entries of code: 1f1t
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
1f1t
Complex Type
Nucleic Acid-Ligand
PDBbind Subset
general set
Protein Name
MALACHITE GREEN APTAMER RNA
Ligand Name
ROS
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=40nM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. (2000) 301: 117-128
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Pubchem
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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