USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 207 hydrogens (14 hets) HEADER DNA/RNA 22-MAR-11 2LB4 TITLE DNA / RNA HYBRID CONTAINING A CENTRAL STEREO SPECIFIC SP BORANO TITLE 2 PHOSPHATE LINKAGE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS NUCLEIC ACID HETERODUPLEX, RNASE H1 ACTIVITY, DNA-RNA COMPLEX EXPDTA SOLUTION NMR AUTHOR C.N.JOHNSON,A.M.SPRING,B.R.SHAW,M.W.GERMANN REVDAT 1 29-JUN-11 2LB4 0 JRNL AUTH C.N.JOHNSON,A.M.SPRING,D.SERGUEEV,B.R.SHAW,M.W.GERMANN JRNL TITL STRUCTURAL BASIS OF THE RNASE H1 ACTIVITY ON STEREO REGULAR JRNL TITL 2 BORANO PHOSPHONATE DNA/RNA HYBRIDS. JRNL REF BIOCHEMISTRY V. 50 3903 2011 JRNL REFN ISSN 0006-2960 JRNL PMID 21443203 JRNL DOI 10.1021/BI200083D REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 9.0, MARDIGRAS 5.21 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, AND KOLLM (AMBER), THOMAS JAMES REMARK 3 (MARDIGRAS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2LB4 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB102180. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0 MM DNA (5'-D(*AP*TP*GP*GP* REMARK 210 TP*BGR*CP*TP*C)-3'), 1.0 MM RNA (5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U) REMARK 210 -3'), 50 MM SODIUM CHLORIDE, 10 MM SODIUM PHOSPHATE, 0.5 MM EDTA, REMARK 210 0.3 UM DSS, 10 % D2O, 90 % H2O, 90% H2O/10% D2O; 1.0 MM DNA (5'- REMARK 210 D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3'), 1.0 MM RNA (5'-R(*GP*AP*GP* REMARK 210 CP*AP*CP*CP*AP*U)-3'), 50 MM SODIUM CHLORIDE, 10 MM SODIUM REMARK 210 PHOSPHATE, 0.5 MM EDTA, 0.3 UM DSS, 99.999 % D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-13C HSQC; REMARK 210 2D 1H-1H TOCSY; 2D DQF-COSY; 2D REMARK 210 1H-31P CORR REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AMBER 9.0, XWINNMR 3.5, TOPSPIN REMARK 210 2.1, CORMA 5.21, SPARKY 3.98 REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURE WITH LOWEST RESTRAINT REMARK 210 VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 BGR A 6 OP1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA A 1 O4' - C4' - C3' ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 1 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 1 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA A 1 C5 - C6 - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA A 1 N1 - C6 - N6 ANGL. DEV. = -6.5 DEGREES REMARK 500 DT A 2 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT A 5 C4' - C3' - C2' ANGL. DEV. = -4.8 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT A 5 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC A 7 C3' - C2' - C1' ANGL. DEV. = 7.5 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -4.1 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 G B 10 C3' - C2' - C1' ANGL. DEV. = 4.8 DEGREES REMARK 500 A B 11 C5 - C6 - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 A B 14 C5 - C6 - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 A B 14 N1 - C6 - N6 ANGL. DEV. = -4.6 DEGREES REMARK 500 C B 15 C5' - C4' - O4' ANGL. DEV. = 6.5 DEGREES REMARK 500 C B 16 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 A B 17 C4 - C5 - C6 ANGL. DEV. = -4.5 DEGREES REMARK 500 A B 17 C6 - C5 - N7 ANGL. DEV. = 4.5 DEGREES REMARK 500 A B 17 N1 - C6 - N6 ANGL. DEV. = -7.0 DEGREES REMARK 500 U B 18 O4' - C1' - N1 ANGL. DEV. = 5.6 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 DG A 3 0.07 SIDE CHAIN REMARK 500 DG A 4 0.07 SIDE CHAIN REMARK 500 A B 17 0.07 SIDE CHAIN REMARK 500 U B 18 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LAR RELATED DB: PDB REMARK 900 DNA / RNA HYBRID CONTAINING OTHER STEREO SPECIFIC BORANO REMARK 900 MODIFICATION REMARK 900 RELATED ID: 17535 RELATED DB: BMRB REMARK 900 DNA / RNA HYBRID CONTAINING OTHER STEREO SPECIFIC BORANO REMARK 900 MODIFICATION DBREF 2LB4 A 1 9 PDB 2LB4 2LB4 1 9 DBREF 2LB4 B 10 18 PDB 2LB4 2LB4 10 18 SEQRES 1 A 9 DA DT DG DG DT BGR DC DT DC SEQRES 1 B 9 G A G C A C C A U HET BGR A 6 36 HETNAM BGR [[(2R,3S,5R)-5-(2-AZANYL-6-OXO-1H-PURIN-9-YL)-3- HETNAM 2 BGR HYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY- HETNAM 3 BGR PHOSPHORYL]BORANUIDE FORMUL 1 BGR C10 H16 B N5 O6 P 1- LINK O3' DT A 5 P BGR A 6 1555 1555 1.63 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.703 (180deg=-0.982) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0396 (180deg=-0.139) USER MOD Single : A 9 DC O3' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot -120:sc= 0.915 USER MOD Single : B 10 G O5' : rot 180:sc= 0 USER MOD Single : B 11 A O2' : rot -30:sc= 0.0986 USER MOD Single : B 12 G O2' : rot -124:sc= 0.206 USER MOD Single : B 13 C O2' : rot 180:sc= 0 USER MOD Single : B 14 A O2' : rot -108:sc= 0.0271 USER MOD Single : B 15 C O2' : rot -16:sc= 0.00919 USER MOD Single : B 16 C O2' : rot -26:sc= 0.0666 USER MOD Single : B 17 A O2' : rot -124:sc= 0.601 USER MOD Single : B 18 U O2' : rot -24:sc= 0.103 USER MOD Single : B 18 U O3' : rot 180:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 30.431 25.205 12.889 1.00 0.00 O ATOM 2 C5' DA A 1 30.112 24.602 11.637 1.00 0.00 C ATOM 3 C4' DA A 1 29.784 23.103 11.762 1.00 0.00 C ATOM 4 O4' DA A 1 30.904 22.398 12.302 1.00 0.00 O ATOM 5 C3' DA A 1 28.530 22.844 12.616 1.00 0.00 C ATOM 6 O3' DA A 1 27.560 22.152 11.830 1.00 0.00 O ATOM 7 C2' DA A 1 29.052 21.995 13.762 1.00 0.00 C ATOM 8 C1' DA A 1 30.470 21.571 13.374 1.00 0.00 C ATOM 9 N9 DA A 1 31.328 21.708 14.558 1.00 0.00 N ATOM 10 C8 DA A 1 32.005 22.828 14.866 1.00 0.00 C ATOM 11 N7 DA A 1 32.551 22.857 16.055 1.00 0.00 N ATOM 12 C5 DA A 1 32.155 21.610 16.584 1.00 0.00 C ATOM 13 C6 DA A 1 32.315 20.925 17.818 1.00 0.00 C ATOM 14 N6 DA A 1 32.998 21.333 18.873 1.00 0.00 N ATOM 15 N1 DA A 1 31.762 19.732 18.012 1.00 0.00 N ATOM 16 C2 DA A 1 31.027 19.210 17.043 1.00 0.00 C ATOM 17 N3 DA A 1 30.789 19.712 15.840 1.00 0.00 N ATOM 18 C4 DA A 1 31.383 20.922 15.679 1.00 0.00 C ATOM 0 H5' DA A 1 30.951 24.730 10.953 1.00 0.00 H new ATOM 0 H5'' DA A 1 29.260 25.120 11.196 1.00 0.00 H new ATOM 0 H4' DA A 1 29.570 22.735 10.759 1.00 0.00 H new ATOM 0 H3' DA A 1 28.037 23.746 12.978 1.00 0.00 H new ATOM 0 H2' DA A 1 29.057 22.561 14.694 1.00 0.00 H new ATOM 0 H2'' DA A 1 28.416 21.124 13.921 1.00 0.00 H new ATOM 0 HO5' DA A 1 30.632 26.154 12.753 1.00 0.00 H new ATOM 0 H1' DA A 1 30.511 20.534 13.041 1.00 0.00 H new ATOM 0 H8 DA A 1 32.093 23.653 14.175 1.00 0.00 H new ATOM 0 H61 DA A 1 33.041 20.750 19.709 1.00 0.00 H new ATOM 0 H62 DA A 1 33.482 22.231 18.851 1.00 0.00 H new ATOM 0 H2 DA A 1 30.565 18.258 17.259 1.00 0.00 H new ATOM 31 P DT A 2 25.988 22.210 12.148 1.00 0.00 P ATOM 32 OP1 DT A 2 25.307 21.543 11.006 1.00 0.00 O ATOM 33 OP2 DT A 2 25.631 23.602 12.450 1.00 0.00 O ATOM 34 O5' DT A 2 25.735 21.296 13.442 1.00 0.00 O ATOM 35 C5' DT A 2 25.746 19.876 13.350 1.00 0.00 C ATOM 36 C4' DT A 2 25.587 19.164 14.700 1.00 0.00 C ATOM 37 O4' DT A 2 26.778 19.307 15.449 1.00 0.00 O ATOM 38 C3' DT A 2 24.387 19.595 15.572 1.00 0.00 C ATOM 39 O3' DT A 2 23.528 18.518 15.942 1.00 0.00 O ATOM 40 C2' DT A 2 25.104 20.093 16.817 1.00 0.00 C ATOM 41 C1' DT A 2 26.408 19.286 16.807 1.00 0.00 C ATOM 42 N1 DT A 2 27.437 19.939 17.629 1.00 0.00 N ATOM 43 C2 DT A 2 27.899 19.308 18.775 1.00 0.00 C ATOM 44 O2 DT A 2 27.564 18.175 19.107 1.00 0.00 O ATOM 45 N3 DT A 2 28.768 20.041 19.542 1.00 0.00 N ATOM 46 C4 DT A 2 29.225 21.311 19.303 1.00 0.00 C ATOM 47 O4 DT A 2 29.986 21.830 20.120 1.00 0.00 O ATOM 48 C5 DT A 2 28.720 21.893 18.061 1.00 0.00 C ATOM 49 C7 DT A 2 29.160 23.269 17.618 1.00 0.00 C ATOM 50 C6 DT A 2 27.849 21.194 17.290 1.00 0.00 C ATOM 0 H5' DT A 2 26.682 19.559 12.891 1.00 0.00 H new ATOM 0 H5'' DT A 2 24.942 19.559 12.686 1.00 0.00 H new ATOM 0 H4' DT A 2 25.379 18.127 14.437 1.00 0.00 H new ATOM 0 H3' DT A 2 23.739 20.304 15.057 1.00 0.00 H new ATOM 0 H2' DT A 2 25.292 21.166 16.773 1.00 0.00 H new ATOM 0 H2'' DT A 2 24.522 19.909 17.720 1.00 0.00 H new ATOM 0 H1' DT A 2 26.293 18.281 17.214 1.00 0.00 H new ATOM 0 H3 DT A 2 29.114 19.589 20.388 1.00 0.00 H new ATOM 0 H71 DT A 2 29.385 23.878 18.493 1.00 0.00 H new ATOM 0 H72 DT A 2 30.051 23.183 16.996 1.00 0.00 H new ATOM 0 H73 DT A 2 28.361 23.739 17.044 1.00 0.00 H new ATOM 0 H6 DT A 2 27.472 21.644 16.383 1.00 0.00 H new ATOM 63 P DG A 3 22.021 18.785 16.467 1.00 0.00 P ATOM 64 OP1 DG A 3 21.127 18.866 15.303 1.00 0.00 O ATOM 65 OP2 DG A 3 22.080 19.895 17.453 1.00 0.00 O ATOM 66 O5' DG A 3 21.659 17.497 17.360 1.00 0.00 O ATOM 67 C5' DG A 3 21.720 16.158 16.887 1.00 0.00 C ATOM 68 C4' DG A 3 21.865 15.164 18.064 1.00 0.00 C ATOM 69 O4' DG A 3 23.158 15.305 18.646 1.00 0.00 O ATOM 70 C3' DG A 3 20.810 15.356 19.173 1.00 0.00 C ATOM 71 O3' DG A 3 20.366 14.107 19.695 1.00 0.00 O ATOM 72 C2' DG A 3 21.607 16.118 20.222 1.00 0.00 C ATOM 73 C1' DG A 3 23.045 15.616 20.026 1.00 0.00 C ATOM 74 N9 DG A 3 23.920 16.767 20.323 1.00 0.00 N ATOM 75 C8 DG A 3 23.946 17.887 19.556 1.00 0.00 C ATOM 76 N7 DG A 3 24.469 18.942 20.116 1.00 0.00 N ATOM 77 C5 DG A 3 24.909 18.439 21.353 1.00 0.00 C ATOM 78 C6 DG A 3 25.614 19.071 22.436 1.00 0.00 C ATOM 79 O6 DG A 3 26.082 20.206 22.501 1.00 0.00 O ATOM 80 N1 DG A 3 25.764 18.256 23.538 1.00 0.00 N ATOM 81 C2 DG A 3 25.350 16.970 23.591 1.00 0.00 C ATOM 82 N2 DG A 3 25.511 16.337 24.720 1.00 0.00 N ATOM 83 N3 DG A 3 24.754 16.313 22.594 1.00 0.00 N ATOM 84 C4 DG A 3 24.551 17.111 21.499 1.00 0.00 C ATOM 0 H5' DG A 3 22.563 16.047 16.205 1.00 0.00 H new ATOM 0 H5'' DG A 3 20.819 15.927 16.319 1.00 0.00 H new ATOM 0 H4' DG A 3 21.716 14.170 17.643 1.00 0.00 H new ATOM 0 H3' DG A 3 19.906 15.861 18.833 1.00 0.00 H new ATOM 0 H2' DG A 3 21.536 17.196 20.074 1.00 0.00 H new ATOM 0 H2'' DG A 3 21.244 15.910 21.229 1.00 0.00 H new ATOM 0 H1' DG A 3 23.300 14.758 20.648 1.00 0.00 H new ATOM 0 H8 DG A 3 23.559 17.903 18.548 1.00 0.00 H new ATOM 0 H1 DG A 3 26.215 18.648 24.365 1.00 0.00 H new ATOM 0 H21 DG A 3 25.214 15.365 24.807 1.00 0.00 H new ATOM 0 H22 DG A 3 25.934 16.814 25.516 1.00 0.00 H new ATOM 96 P DG A 4 19.015 13.983 20.566 1.00 0.00 P ATOM 97 OP1 DG A 4 18.744 12.533 20.657 1.00 0.00 O ATOM 98 OP2 DG A 4 17.989 14.824 19.927 1.00 0.00 O ATOM 99 O5' DG A 4 19.356 14.545 22.049 1.00 0.00 O ATOM 100 C5' DG A 4 19.938 13.694 23.035 1.00 0.00 C ATOM 101 C4' DG A 4 20.356 14.346 24.371 1.00 0.00 C ATOM 102 O4' DG A 4 21.521 15.145 24.267 1.00 0.00 O ATOM 103 C3' DG A 4 19.327 15.184 25.142 1.00 0.00 C ATOM 104 O3' DG A 4 18.475 14.319 25.886 1.00 0.00 O ATOM 105 C2' DG A 4 20.244 15.925 26.106 1.00 0.00 C ATOM 106 C1' DG A 4 21.573 16.043 25.372 1.00 0.00 C ATOM 107 N9 DG A 4 21.828 17.400 24.857 1.00 0.00 N ATOM 108 C8 DG A 4 21.612 17.846 23.588 1.00 0.00 C ATOM 109 N7 DG A 4 22.146 19.012 23.324 1.00 0.00 N ATOM 110 C5 DG A 4 22.714 19.394 24.557 1.00 0.00 C ATOM 111 C6 DG A 4 23.464 20.559 24.970 1.00 0.00 C ATOM 112 O6 DG A 4 23.797 21.553 24.328 1.00 0.00 O ATOM 113 N1 DG A 4 23.850 20.525 26.295 1.00 0.00 N ATOM 114 C2 DG A 4 23.587 19.496 27.133 1.00 0.00 C ATOM 115 N2 DG A 4 23.957 19.615 28.377 1.00 0.00 N ATOM 116 N3 DG A 4 22.912 18.399 26.804 1.00 0.00 N ATOM 117 C4 DG A 4 22.506 18.406 25.499 1.00 0.00 C ATOM 0 H5' DG A 4 20.819 13.224 22.598 1.00 0.00 H new ATOM 0 H5'' DG A 4 19.228 12.897 23.255 1.00 0.00 H new ATOM 0 H4' DG A 4 20.513 13.435 24.949 1.00 0.00 H new ATOM 0 H3' DG A 4 18.689 15.815 24.524 1.00 0.00 H new ATOM 0 H2' DG A 4 19.843 16.907 26.357 1.00 0.00 H new ATOM 0 H2'' DG A 4 20.357 15.378 27.042 1.00 0.00 H new ATOM 0 H1' DG A 4 22.375 15.811 26.073 1.00 0.00 H new ATOM 0 H8 DG A 4 21.047 17.284 22.859 1.00 0.00 H new ATOM 0 H1 DG A 4 24.365 21.324 26.665 1.00 0.00 H new ATOM 0 H21 DG A 4 23.775 18.859 29.038 1.00 0.00 H new ATOM 0 H22 DG A 4 24.428 20.464 28.690 1.00 0.00 H new ATOM 129 P DT A 5 17.117 14.793 26.596 1.00 0.00 P ATOM 130 OP1 DT A 5 16.796 13.693 27.534 1.00 0.00 O ATOM 131 OP2 DT A 5 16.103 15.022 25.554 1.00 0.00 O ATOM 132 O5' DT A 5 17.401 16.130 27.435 1.00 0.00 O ATOM 133 C5' DT A 5 17.815 16.058 28.795 1.00 0.00 C ATOM 134 C4' DT A 5 18.353 17.375 29.370 1.00 0.00 C ATOM 135 O4' DT A 5 19.495 17.821 28.650 1.00 0.00 O ATOM 136 C3' DT A 5 17.361 18.540 29.484 1.00 0.00 C ATOM 137 O3' DT A 5 16.652 18.420 30.715 1.00 0.00 O ATOM 138 C2' DT A 5 18.401 19.682 29.561 1.00 0.00 C ATOM 139 C1' DT A 5 19.719 19.199 28.915 1.00 0.00 C ATOM 140 N1 DT A 5 19.985 19.973 27.679 1.00 0.00 N ATOM 141 C2 DT A 5 20.699 21.171 27.797 1.00 0.00 C ATOM 142 O2 DT A 5 21.156 21.585 28.858 1.00 0.00 O ATOM 143 N3 DT A 5 20.858 21.904 26.649 1.00 0.00 N ATOM 144 C4 DT A 5 20.323 21.601 25.418 1.00 0.00 C ATOM 145 O4 DT A 5 20.559 22.361 24.483 1.00 0.00 O ATOM 146 C5 DT A 5 19.527 20.364 25.380 1.00 0.00 C ATOM 147 C7 DT A 5 18.818 19.945 24.106 1.00 0.00 C ATOM 148 C6 DT A 5 19.405 19.592 26.495 1.00 0.00 C ATOM 0 H5' DT A 5 18.588 15.295 28.886 1.00 0.00 H new ATOM 0 H5'' DT A 5 16.970 15.730 29.401 1.00 0.00 H new ATOM 0 H4' DT A 5 18.600 17.102 30.396 1.00 0.00 H new ATOM 0 H3' DT A 5 16.601 18.637 28.708 1.00 0.00 H new ATOM 0 H2' DT A 5 18.029 20.567 29.044 1.00 0.00 H new ATOM 0 H2'' DT A 5 18.572 19.968 30.599 1.00 0.00 H new ATOM 0 H1' DT A 5 20.594 19.341 29.549 1.00 0.00 H new ATOM 0 H3 DT A 5 21.424 22.750 26.713 1.00 0.00 H new ATOM 0 H71 DT A 5 18.750 18.858 24.068 1.00 0.00 H new ATOM 0 H72 DT A 5 17.815 20.372 24.091 1.00 0.00 H new ATOM 0 H73 DT A 5 19.378 20.304 23.243 1.00 0.00 H new ATOM 0 H6 DT A 5 18.846 18.669 26.447 1.00 0.00 H new HETATM 161 P BGR A 6 15.428 19.392 31.165 1.00 0.00 P HETATM 162 N1 BGR A 6 20.210 26.785 27.089 1.00 0.00 N HETATM 163 C2 BGR A 6 20.377 26.969 28.417 1.00 0.00 C HETATM 164 N2 BGR A 6 21.046 28.018 28.804 1.00 0.00 N HETATM 165 N3 BGR A 6 19.866 26.192 29.362 1.00 0.00 N HETATM 166 C4 BGR A 6 19.122 25.170 28.841 1.00 0.00 C HETATM 167 C5 BGR A 6 18.869 24.893 27.514 1.00 0.00 C HETATM 168 C6 BGR A 6 19.480 25.754 26.534 1.00 0.00 C HETATM 169 O6 BGR A 6 19.417 25.725 25.308 1.00 0.00 O HETATM 170 N7 BGR A 6 17.998 23.795 27.407 1.00 0.00 N HETATM 171 C8 BGR A 6 17.799 23.444 28.650 1.00 0.00 C HETATM 172 N9 BGR A 6 18.464 24.210 29.561 1.00 0.00 N HETATM 173 BP BGR A 6 14.074 19.726 29.819 1.00 0.00 B HETATM 174 C1' BGR A 6 18.500 24.075 31.022 1.00 0.00 C HETATM 175 C2' BGR A 6 17.317 24.776 31.690 1.00 0.00 C HETATM 176 C3' BGR A 6 16.426 23.624 32.135 1.00 0.00 C HETATM 177 O3' BGR A 6 15.672 23.953 33.293 1.00 0.00 O HETATM 178 C4' BGR A 6 17.488 22.555 32.417 1.00 0.00 C HETATM 179 O4' BGR A 6 18.445 22.704 31.386 1.00 0.00 O HETATM 180 C5' BGR A 6 16.924 21.133 32.474 1.00 0.00 C HETATM 181 O5' BGR A 6 16.146 20.827 31.331 1.00 0.00 O HETATM 182 OP2 BGR A 6 15.051 18.972 32.541 1.00 0.00 O HETATM 0 HN2A BGR A 6 21.193 28.191 29.798 1.00 0.00 H new HETATM 0 H5'A BGR A 6 17.744 20.420 32.556 1.00 0.00 H new HETATM 0 H3BP BGR A 6 13.389 20.496 30.175 1.00 0.00 H new HETATM 0 H2BP BGR A 6 14.551 20.062 28.898 1.00 0.00 H new HETATM 0 H2'A BGR A 6 17.637 25.386 32.535 1.00 0.00 H new HETATM 0 H1BP BGR A 6 13.519 18.808 29.626 1.00 0.00 H new HETATM 0 HN2 BGR A 6 21.423 28.666 28.113 1.00 0.00 H new HETATM 0 HN1 BGR A 6 20.652 27.451 26.456 1.00 0.00 H new HETATM 0 H8 BGR A 6 17.157 22.610 28.934 1.00 0.00 H new HETATM 0 H5' BGR A 6 16.313 21.020 33.370 1.00 0.00 H new HETATM 0 H4' BGR A 6 17.923 22.698 33.406 1.00 0.00 H new HETATM 0 H3' BGR A 6 15.664 23.327 31.414 1.00 0.00 H new HETATM 0 H2' BGR A 6 16.800 25.439 30.997 1.00 0.00 H new HETATM 0 H1' BGR A 6 19.429 24.536 31.357 1.00 0.00 H new ATOM 197 P DC A 7 14.292 24.764 33.169 1.00 0.00 P ATOM 198 OP1 DC A 7 13.728 24.822 34.532 1.00 0.00 O ATOM 199 OP2 DC A 7 13.514 24.108 32.089 1.00 0.00 O ATOM 200 O5' DC A 7 14.726 26.247 32.702 1.00 0.00 O ATOM 201 C5' DC A 7 15.398 27.147 33.588 1.00 0.00 C ATOM 202 C4' DC A 7 16.001 28.369 32.864 1.00 0.00 C ATOM 203 O4' DC A 7 16.905 27.957 31.848 1.00 0.00 O ATOM 204 C3' DC A 7 14.998 29.336 32.259 1.00 0.00 C ATOM 205 O3' DC A 7 14.610 30.370 33.163 1.00 0.00 O ATOM 206 C2' DC A 7 15.871 29.907 31.145 1.00 0.00 C ATOM 207 C1' DC A 7 17.087 29.018 30.929 1.00 0.00 C ATOM 208 N1 DC A 7 17.052 28.542 29.524 1.00 0.00 N ATOM 209 C2 DC A 7 17.747 29.215 28.506 1.00 0.00 C ATOM 210 O2 DC A 7 18.460 30.199 28.731 1.00 0.00 O ATOM 211 N3 DC A 7 17.629 28.800 27.221 1.00 0.00 N ATOM 212 C4 DC A 7 16.877 27.743 26.970 1.00 0.00 C ATOM 213 N4 DC A 7 16.831 27.311 25.749 1.00 0.00 N ATOM 214 C5 DC A 7 16.131 27.047 27.956 1.00 0.00 C ATOM 215 C6 DC A 7 16.195 27.526 29.220 1.00 0.00 C ATOM 0 H5' DC A 7 16.192 26.611 34.107 1.00 0.00 H new ATOM 0 H5'' DC A 7 14.696 27.492 34.348 1.00 0.00 H new ATOM 0 H4' DC A 7 16.511 28.917 33.656 1.00 0.00 H new ATOM 0 H3' DC A 7 14.053 28.881 31.962 1.00 0.00 H new ATOM 0 H2' DC A 7 15.295 29.980 30.222 1.00 0.00 H new ATOM 0 H2'' DC A 7 16.190 30.917 31.403 1.00 0.00 H new ATOM 0 H1' DC A 7 18.047 29.509 31.086 1.00 0.00 H new ATOM 0 H41 DC A 7 16.261 26.497 25.517 1.00 0.00 H new ATOM 0 H42 DC A 7 17.365 27.785 25.020 1.00 0.00 H new ATOM 0 H5 DC A 7 15.541 26.177 27.710 1.00 0.00 H new ATOM 0 H6 DC A 7 15.566 27.103 29.989 1.00 0.00 H new ATOM 227 P DT A 8 13.540 31.504 32.767 1.00 0.00 P ATOM 228 OP1 DT A 8 13.061 32.142 34.011 1.00 0.00 O ATOM 229 OP2 DT A 8 12.492 30.871 31.944 1.00 0.00 O ATOM 230 O5' DT A 8 14.284 32.600 31.854 1.00 0.00 O ATOM 231 C5' DT A 8 15.405 33.346 32.322 1.00 0.00 C ATOM 232 C4' DT A 8 16.105 34.112 31.181 1.00 0.00 C ATOM 233 O4' DT A 8 16.426 33.223 30.120 1.00 0.00 O ATOM 234 C3' DT A 8 15.276 35.275 30.610 1.00 0.00 C ATOM 235 O3' DT A 8 16.028 36.489 30.622 1.00 0.00 O ATOM 236 C2' DT A 8 14.995 34.812 29.175 1.00 0.00 C ATOM 237 C1' DT A 8 16.130 33.836 28.878 1.00 0.00 C ATOM 238 N1 DT A 8 15.705 32.815 27.882 1.00 0.00 N ATOM 239 C2 DT A 8 16.156 32.917 26.555 1.00 0.00 C ATOM 240 O2 DT A 8 16.895 33.817 26.169 1.00 0.00 O ATOM 241 N3 DT A 8 15.717 31.954 25.666 1.00 0.00 N ATOM 242 C4 DT A 8 14.876 30.908 25.994 1.00 0.00 C ATOM 243 O4 DT A 8 14.576 30.086 25.137 1.00 0.00 O ATOM 244 C5 DT A 8 14.393 30.900 27.374 1.00 0.00 C ATOM 245 C7 DT A 8 13.402 29.846 27.837 1.00 0.00 C ATOM 246 C6 DT A 8 14.814 31.836 28.260 1.00 0.00 C ATOM 0 H5' DT A 8 16.117 32.671 32.796 1.00 0.00 H new ATOM 0 H5'' DT A 8 15.078 34.052 33.085 1.00 0.00 H new ATOM 0 H4' DT A 8 17.004 34.541 31.624 1.00 0.00 H new ATOM 0 H3' DT A 8 14.372 35.488 31.180 1.00 0.00 H new ATOM 0 H2' DT A 8 14.021 34.329 29.094 1.00 0.00 H new ATOM 0 H2'' DT A 8 14.995 35.649 28.477 1.00 0.00 H new ATOM 0 H1' DT A 8 16.997 34.342 28.453 1.00 0.00 H new ATOM 0 H3 DT A 8 16.036 32.020 24.700 1.00 0.00 H new ATOM 0 H71 DT A 8 12.775 29.543 26.999 1.00 0.00 H new ATOM 0 H72 DT A 8 13.943 28.980 28.217 1.00 0.00 H new ATOM 0 H73 DT A 8 12.776 30.258 28.628 1.00 0.00 H new ATOM 0 H6 DT A 8 14.446 31.813 29.275 1.00 0.00 H new ATOM 259 P DC A 9 15.327 37.920 30.391 1.00 0.00 P ATOM 260 OP1 DC A 9 16.356 38.886 30.831 1.00 0.00 O ATOM 261 OP2 DC A 9 14.004 37.890 31.050 1.00 0.00 O ATOM 262 O5' DC A 9 15.125 38.047 28.812 1.00 0.00 O ATOM 263 C5' DC A 9 16.219 38.281 27.928 1.00 0.00 C ATOM 264 C4' DC A 9 15.817 38.169 26.446 1.00 0.00 C ATOM 265 O4' DC A 9 15.526 36.819 26.117 1.00 0.00 O ATOM 266 C3' DC A 9 14.600 39.015 26.050 1.00 0.00 C ATOM 267 O3' DC A 9 14.981 40.148 25.278 1.00 0.00 O ATOM 268 C2' DC A 9 13.785 38.053 25.161 1.00 0.00 C ATOM 269 C1' DC A 9 14.654 36.799 25.003 1.00 0.00 C ATOM 270 N1 DC A 9 13.863 35.538 24.987 1.00 0.00 N ATOM 271 C2 DC A 9 13.779 34.761 23.825 1.00 0.00 C ATOM 272 O2 DC A 9 14.254 35.137 22.757 1.00 0.00 O ATOM 273 N3 DC A 9 13.115 33.579 23.836 1.00 0.00 N ATOM 274 C4 DC A 9 12.519 33.201 24.944 1.00 0.00 C ATOM 275 N4 DC A 9 11.948 32.031 24.902 1.00 0.00 N ATOM 276 C5 DC A 9 12.496 33.987 26.132 1.00 0.00 C ATOM 277 C6 DC A 9 13.186 35.156 26.109 1.00 0.00 C ATOM 0 H5' DC A 9 17.013 37.565 28.140 1.00 0.00 H new ATOM 0 H5'' DC A 9 16.627 39.274 28.116 1.00 0.00 H new ATOM 0 H4' DC A 9 16.677 38.550 25.895 1.00 0.00 H new ATOM 0 H3' DC A 9 14.063 39.397 26.918 1.00 0.00 H new ATOM 0 H2' DC A 9 12.827 37.810 25.622 1.00 0.00 H new ATOM 0 H2'' DC A 9 13.568 38.504 24.193 1.00 0.00 H new ATOM 0 HO3' DC A 9 14.183 40.665 25.040 1.00 0.00 H new ATOM 0 H1' DC A 9 15.177 36.816 24.047 1.00 0.00 H new ATOM 0 H41 DC A 9 11.465 31.669 25.724 1.00 0.00 H new ATOM 0 H42 DC A 9 11.984 31.476 24.047 1.00 0.00 H new ATOM 0 H5 DC A 9 11.955 33.668 27.010 1.00 0.00 H new ATOM 0 H6 DC A 9 13.199 35.788 26.985 1.00 0.00 H new TER 290 DC A 9 ATOM 291 O5' G B 10 11.762 26.528 15.349 1.00 0.00 O ATOM 292 C5' G B 10 11.700 27.505 14.316 1.00 0.00 C ATOM 293 C4' G B 10 12.268 28.873 14.733 1.00 0.00 C ATOM 294 O4' G B 10 11.545 29.454 15.818 1.00 0.00 O ATOM 295 C3' G B 10 13.752 28.869 15.110 1.00 0.00 C ATOM 296 O3' G B 10 14.685 28.992 14.034 1.00 0.00 O ATOM 297 C2' G B 10 13.827 30.060 16.061 1.00 0.00 C ATOM 298 O2' G B 10 14.221 31.281 15.461 1.00 0.00 O ATOM 299 C1' G B 10 12.430 30.283 16.571 1.00 0.00 C ATOM 300 N9 G B 10 12.399 29.948 17.993 1.00 0.00 N ATOM 301 C8 G B 10 12.165 28.725 18.511 1.00 0.00 C ATOM 302 N7 G B 10 12.163 28.678 19.822 1.00 0.00 N ATOM 303 C5 G B 10 12.463 30.005 20.180 1.00 0.00 C ATOM 304 C6 G B 10 12.572 30.644 21.466 1.00 0.00 C ATOM 305 O6 G B 10 12.401 30.140 22.578 1.00 0.00 O ATOM 306 N1 G B 10 12.907 31.981 21.395 1.00 0.00 N ATOM 307 C2 G B 10 13.061 32.653 20.228 1.00 0.00 C ATOM 308 N2 G B 10 13.409 33.907 20.299 1.00 0.00 N ATOM 309 N3 G B 10 12.882 32.127 19.019 1.00 0.00 N ATOM 310 C4 G B 10 12.606 30.789 19.058 1.00 0.00 C ATOM 0 H5' G B 10 10.662 27.630 14.006 1.00 0.00 H new ATOM 0 H5'' G B 10 12.250 27.141 13.448 1.00 0.00 H new ATOM 0 H4' G B 10 12.153 29.469 13.828 1.00 0.00 H new ATOM 0 H3' G B 10 14.048 27.906 15.526 1.00 0.00 H new ATOM 0 H2' G B 10 14.574 29.815 16.816 1.00 0.00 H new ATOM 0 HO2' G B 10 15.042 31.605 15.887 1.00 0.00 H new ATOM 0 HO5' G B 10 11.386 25.684 15.024 1.00 0.00 H new ATOM 0 H1' G B 10 12.118 31.321 16.456 1.00 0.00 H new ATOM 0 H8 G B 10 11.993 27.854 17.896 1.00 0.00 H new ATOM 0 H1 G B 10 13.046 32.491 22.267 1.00 0.00 H new ATOM 0 H21 G B 10 13.536 34.450 19.445 1.00 0.00 H new ATOM 0 H22 G B 10 13.554 34.345 21.209 1.00 0.00 H new ATOM 323 P A B 11 16.241 28.727 14.298 1.00 0.00 P ATOM 324 OP1 A B 11 16.941 28.624 12.998 1.00 0.00 O ATOM 325 OP2 A B 11 16.356 27.535 15.155 1.00 0.00 O ATOM 326 O5' A B 11 16.825 29.985 15.113 1.00 0.00 O ATOM 327 C5' A B 11 17.312 31.150 14.459 1.00 0.00 C ATOM 328 C4' A B 11 17.660 32.294 15.434 1.00 0.00 C ATOM 329 O4' A B 11 16.556 32.640 16.277 1.00 0.00 O ATOM 330 C3' A B 11 18.862 32.083 16.366 1.00 0.00 C ATOM 331 O3' A B 11 20.133 32.339 15.778 1.00 0.00 O ATOM 332 C2' A B 11 18.537 33.181 17.392 1.00 0.00 C ATOM 333 O2' A B 11 18.807 34.468 16.850 1.00 0.00 O ATOM 334 C1' A B 11 17.036 33.033 17.570 1.00 0.00 C ATOM 335 N9 A B 11 16.638 32.061 18.612 1.00 0.00 N ATOM 336 C8 A B 11 16.142 30.820 18.381 1.00 0.00 C ATOM 337 N7 A B 11 15.814 30.134 19.439 1.00 0.00 N ATOM 338 C5 A B 11 16.090 31.039 20.472 1.00 0.00 C ATOM 339 C6 A B 11 15.959 30.990 21.878 1.00 0.00 C ATOM 340 N6 A B 11 15.537 29.916 22.506 1.00 0.00 N ATOM 341 N1 A B 11 16.226 32.047 22.654 1.00 0.00 N ATOM 342 C2 A B 11 16.672 33.136 22.031 1.00 0.00 C ATOM 343 N3 A B 11 16.888 33.322 20.726 1.00 0.00 N ATOM 344 C4 A B 11 16.563 32.227 19.984 1.00 0.00 C ATOM 0 H5' A B 11 16.562 31.501 13.750 1.00 0.00 H new ATOM 0 H5'' A B 11 18.200 30.891 13.882 1.00 0.00 H new ATOM 0 H4' A B 11 17.926 33.086 14.733 1.00 0.00 H new ATOM 0 H3' A B 11 18.963 31.056 16.717 1.00 0.00 H new ATOM 0 H2' A B 11 19.116 33.089 18.311 1.00 0.00 H new ATOM 0 HO2' A B 11 19.537 34.402 16.199 1.00 0.00 H new ATOM 0 H1' A B 11 16.604 33.969 17.923 1.00 0.00 H new ATOM 0 H8 A B 11 16.026 30.425 17.382 1.00 0.00 H new ATOM 0 H61 A B 11 15.455 29.919 23.523 1.00 0.00 H new ATOM 0 H62 A B 11 15.291 29.079 21.977 1.00 0.00 H new ATOM 0 H2 A B 11 16.888 33.982 22.666 1.00 0.00 H new ATOM 356 P G B 12 21.487 31.885 16.507 1.00 0.00 P ATOM 357 OP1 G B 12 22.673 32.384 15.804 1.00 0.00 O ATOM 358 OP2 G B 12 21.460 30.455 16.858 1.00 0.00 O ATOM 359 O5' G B 12 21.542 32.565 17.945 1.00 0.00 O ATOM 360 C5' G B 12 21.918 33.920 18.145 1.00 0.00 C ATOM 361 C4' G B 12 21.880 34.229 19.646 1.00 0.00 C ATOM 362 O4' G B 12 20.578 34.015 20.176 1.00 0.00 O ATOM 363 C3' G B 12 22.768 33.301 20.461 1.00 0.00 C ATOM 364 O3' G B 12 24.171 33.500 20.291 1.00 0.00 O ATOM 365 C2' G B 12 22.174 33.485 21.862 1.00 0.00 C ATOM 366 O2' G B 12 22.543 34.687 22.521 1.00 0.00 O ATOM 367 C1' G B 12 20.685 33.562 21.525 1.00 0.00 C ATOM 368 N9 G B 12 20.049 32.245 21.727 1.00 0.00 N ATOM 369 C8 G B 12 19.725 31.332 20.772 1.00 0.00 C ATOM 370 N7 G B 12 19.235 30.214 21.220 1.00 0.00 N ATOM 371 C5 G B 12 19.173 30.427 22.601 1.00 0.00 C ATOM 372 C6 G B 12 18.670 29.600 23.661 1.00 0.00 C ATOM 373 O6 G B 12 18.171 28.480 23.600 1.00 0.00 O ATOM 374 N1 G B 12 18.782 30.180 24.907 1.00 0.00 N ATOM 375 C2 G B 12 19.280 31.416 25.120 1.00 0.00 C ATOM 376 N2 G B 12 19.299 31.817 26.363 1.00 0.00 N ATOM 377 N3 G B 12 19.761 32.225 24.174 1.00 0.00 N ATOM 378 C4 G B 12 19.672 31.673 22.923 1.00 0.00 C ATOM 0 H5' G B 12 21.241 34.583 17.606 1.00 0.00 H new ATOM 0 H5'' G B 12 22.918 34.096 17.749 1.00 0.00 H new ATOM 0 H4' G B 12 22.211 35.265 19.722 1.00 0.00 H new ATOM 0 H3' G B 12 22.754 32.256 20.150 1.00 0.00 H new ATOM 0 H2' G B 12 22.505 32.699 22.540 1.00 0.00 H new ATOM 0 HO2' G B 12 22.949 34.474 23.387 1.00 0.00 H new ATOM 0 H1' G B 12 20.163 34.259 22.181 1.00 0.00 H new ATOM 0 H8 G B 12 19.865 31.522 19.718 1.00 0.00 H new ATOM 0 H1 G B 12 18.470 29.643 25.716 1.00 0.00 H new ATOM 0 H21 G B 12 19.663 32.741 26.595 1.00 0.00 H new ATOM 0 H22 G B 12 18.950 31.206 27.101 1.00 0.00 H new ATOM 390 P C B 13 25.171 32.315 20.637 1.00 0.00 P ATOM 391 OP1 C B 13 26.580 32.624 20.338 1.00 0.00 O ATOM 392 OP2 C B 13 24.595 31.066 20.094 1.00 0.00 O ATOM 393 O5' C B 13 25.152 32.240 22.221 1.00 0.00 O ATOM 394 C5' C B 13 25.448 33.384 23.016 1.00 0.00 C ATOM 395 C4' C B 13 25.005 33.176 24.472 1.00 0.00 C ATOM 396 O4' C B 13 23.602 32.960 24.640 1.00 0.00 O ATOM 397 C3' C B 13 25.706 31.978 25.092 1.00 0.00 C ATOM 398 O3' C B 13 27.051 32.305 25.421 1.00 0.00 O ATOM 399 C2' C B 13 24.773 31.702 26.277 1.00 0.00 C ATOM 400 O2' C B 13 24.936 32.666 27.307 1.00 0.00 O ATOM 401 C1' C B 13 23.404 31.947 25.638 1.00 0.00 C ATOM 402 N1 C B 13 22.810 30.702 25.066 1.00 0.00 N ATOM 403 C2 C B 13 22.105 29.843 25.918 1.00 0.00 C ATOM 404 O2 C B 13 21.969 30.094 27.117 1.00 0.00 O ATOM 405 N3 C B 13 21.547 28.707 25.435 1.00 0.00 N ATOM 406 C4 C B 13 21.698 28.411 24.157 1.00 0.00 C ATOM 407 N4 C B 13 21.128 27.328 23.712 1.00 0.00 N ATOM 408 C5 C B 13 22.402 29.240 23.248 1.00 0.00 C ATOM 409 C6 C B 13 22.947 30.370 23.743 1.00 0.00 C ATOM 0 H5' C B 13 24.946 34.258 22.601 1.00 0.00 H new ATOM 0 H5'' C B 13 26.519 33.586 22.984 1.00 0.00 H new ATOM 0 H4' C B 13 25.275 34.111 24.963 1.00 0.00 H new ATOM 0 H3' C B 13 25.837 31.096 24.465 1.00 0.00 H new ATOM 0 H2' C B 13 24.938 30.722 26.724 1.00 0.00 H new ATOM 0 HO2' C B 13 24.326 32.461 28.046 1.00 0.00 H new ATOM 0 H1' C B 13 22.684 32.274 26.388 1.00 0.00 H new ATOM 0 H41 C B 13 21.223 27.068 22.730 1.00 0.00 H new ATOM 0 H42 C B 13 20.586 26.740 24.345 1.00 0.00 H new ATOM 0 H5 C B 13 22.498 28.978 22.205 1.00 0.00 H new ATOM 0 H6 C B 13 23.501 31.024 23.086 1.00 0.00 H new ATOM 421 P A B 14 28.146 31.168 25.380 1.00 0.00 P ATOM 422 OP1 A B 14 29.472 31.671 25.786 1.00 0.00 O ATOM 423 OP2 A B 14 28.022 30.490 24.075 1.00 0.00 O ATOM 424 O5' A B 14 27.666 30.226 26.555 1.00 0.00 O ATOM 425 C5' A B 14 27.712 30.709 27.895 1.00 0.00 C ATOM 426 C4' A B 14 27.018 29.772 28.879 1.00 0.00 C ATOM 427 O4' A B 14 25.642 29.572 28.603 1.00 0.00 O ATOM 428 C3' A B 14 27.682 28.408 28.885 1.00 0.00 C ATOM 429 O3' A B 14 28.913 28.532 29.578 1.00 0.00 O ATOM 430 C2' A B 14 26.568 27.611 29.580 1.00 0.00 C ATOM 431 O2' A B 14 26.548 27.808 30.987 1.00 0.00 O ATOM 432 C1' A B 14 25.317 28.232 28.947 1.00 0.00 C ATOM 433 N9 A B 14 24.857 27.484 27.761 1.00 0.00 N ATOM 434 C8 A B 14 25.145 27.779 26.466 1.00 0.00 C ATOM 435 N7 A B 14 24.533 27.043 25.581 1.00 0.00 N ATOM 436 C5 A B 14 23.795 26.154 26.386 1.00 0.00 C ATOM 437 C6 A B 14 22.925 25.063 26.131 1.00 0.00 C ATOM 438 N6 A B 14 22.540 24.658 24.936 1.00 0.00 N ATOM 439 N1 A B 14 22.428 24.342 27.132 1.00 0.00 N ATOM 440 C2 A B 14 22.768 24.664 28.372 1.00 0.00 C ATOM 441 N3 A B 14 23.542 25.672 28.786 1.00 0.00 N ATOM 442 C4 A B 14 24.027 26.385 27.721 1.00 0.00 C ATOM 0 H5' A B 14 27.241 31.691 27.940 1.00 0.00 H new ATOM 0 H5'' A B 14 28.752 30.840 28.195 1.00 0.00 H new ATOM 0 H4' A B 14 27.108 30.265 29.847 1.00 0.00 H new ATOM 0 H3' A B 14 27.977 27.940 27.946 1.00 0.00 H new ATOM 0 H2' A B 14 26.674 26.534 29.453 1.00 0.00 H new ATOM 0 HO2' A B 14 26.867 26.997 31.435 1.00 0.00 H new ATOM 0 H1' A B 14 24.493 28.197 29.659 1.00 0.00 H new ATOM 0 H8 A B 14 25.831 28.566 26.190 1.00 0.00 H new ATOM 0 H61 A B 14 21.910 23.861 24.846 1.00 0.00 H new ATOM 0 H62 A B 14 22.872 25.142 24.102 1.00 0.00 H new ATOM 0 H2 A B 14 22.368 24.029 29.149 1.00 0.00 H new ATOM 454 P C B 15 30.233 27.820 29.037 1.00 0.00 P ATOM 455 OP1 C B 15 31.386 28.363 29.770 1.00 0.00 O ATOM 456 OP2 C B 15 30.211 27.931 27.561 1.00 0.00 O ATOM 457 O5' C B 15 29.955 26.320 29.483 1.00 0.00 O ATOM 458 C5' C B 15 29.950 25.990 30.856 1.00 0.00 C ATOM 459 C4' C B 15 29.064 24.783 31.177 1.00 0.00 C ATOM 460 O4' C B 15 27.682 24.913 30.860 1.00 0.00 O ATOM 461 C3' C B 15 29.552 23.413 30.715 1.00 0.00 C ATOM 462 O3' C B 15 30.600 22.939 31.544 1.00 0.00 O ATOM 463 C2' C B 15 28.251 22.624 30.934 1.00 0.00 C ATOM 464 O2' C B 15 28.057 22.348 32.316 1.00 0.00 O ATOM 465 C1' C B 15 27.177 23.622 30.512 1.00 0.00 C ATOM 466 N1 C B 15 26.882 23.567 29.051 1.00 0.00 N ATOM 467 C2 C B 15 25.893 22.698 28.583 1.00 0.00 C ATOM 468 O2 C B 15 25.353 21.888 29.330 1.00 0.00 O ATOM 469 N3 C B 15 25.522 22.722 27.282 1.00 0.00 N ATOM 470 C4 C B 15 26.096 23.585 26.470 1.00 0.00 C ATOM 471 N4 C B 15 25.683 23.573 25.234 1.00 0.00 N ATOM 472 C5 C B 15 27.140 24.465 26.876 1.00 0.00 C ATOM 473 C6 C B 15 27.522 24.406 28.180 1.00 0.00 C ATOM 0 H5' C B 15 29.605 26.850 31.430 1.00 0.00 H new ATOM 0 H5'' C B 15 30.970 25.781 31.178 1.00 0.00 H new ATOM 0 H4' C B 15 29.171 24.810 32.261 1.00 0.00 H new ATOM 0 H3' C B 15 29.969 23.364 29.709 1.00 0.00 H new ATOM 0 H2' C B 15 28.245 21.676 30.396 1.00 0.00 H new ATOM 0 HO2' C B 15 28.900 22.480 32.797 1.00 0.00 H new ATOM 0 H1' C B 15 26.238 23.390 31.014 1.00 0.00 H new ATOM 0 H41 C B 15 26.088 24.217 24.555 1.00 0.00 H new ATOM 0 H42 C B 15 24.955 22.919 24.946 1.00 0.00 H new ATOM 0 H5 C B 15 27.606 25.147 26.181 1.00 0.00 H new ATOM 0 H6 C B 15 28.335 25.025 28.530 1.00 0.00 H new ATOM 485 P C B 16 31.583 21.808 31.038 1.00 0.00 P ATOM 486 OP1 C B 16 32.528 21.443 32.098 1.00 0.00 O ATOM 487 OP2 C B 16 32.140 22.121 29.712 1.00 0.00 O ATOM 488 O5' C B 16 30.681 20.538 30.753 1.00 0.00 O ATOM 489 C5' C B 16 30.105 19.759 31.785 1.00 0.00 C ATOM 490 C4' C B 16 29.148 18.735 31.166 1.00 0.00 C ATOM 491 O4' C B 16 28.018 19.307 30.518 1.00 0.00 O ATOM 492 C3' C B 16 29.838 17.891 30.105 1.00 0.00 C ATOM 493 O3' C B 16 30.666 16.914 30.712 1.00 0.00 O ATOM 494 C2' C B 16 28.632 17.303 29.394 1.00 0.00 C ATOM 495 O2' C B 16 28.052 16.248 30.147 1.00 0.00 O ATOM 496 C1' C B 16 27.680 18.496 29.391 1.00 0.00 C ATOM 497 N1 C B 16 27.781 19.249 28.107 1.00 0.00 N ATOM 498 C2 C B 16 27.059 18.778 27.002 1.00 0.00 C ATOM 499 O2 C B 16 26.426 17.726 27.039 1.00 0.00 O ATOM 500 N3 C B 16 27.070 19.456 25.834 1.00 0.00 N ATOM 501 C4 C B 16 27.790 20.551 25.746 1.00 0.00 C ATOM 502 N4 C B 16 27.761 21.160 24.597 1.00 0.00 N ATOM 503 C5 C B 16 28.610 21.037 26.800 1.00 0.00 C ATOM 504 C6 C B 16 28.587 20.352 27.971 1.00 0.00 C ATOM 0 H5' C B 16 29.569 20.400 32.485 1.00 0.00 H new ATOM 0 H5'' C B 16 30.885 19.250 32.352 1.00 0.00 H new ATOM 0 H4' C B 16 28.823 18.145 32.023 1.00 0.00 H new ATOM 0 H3' C B 16 30.514 18.423 29.435 1.00 0.00 H new ATOM 0 H2' C B 16 28.866 16.885 28.415 1.00 0.00 H new ATOM 0 HO2' C B 16 28.736 15.838 30.717 1.00 0.00 H new ATOM 0 H1' C B 16 26.642 18.171 29.469 1.00 0.00 H new ATOM 0 H41 C B 16 28.298 22.017 24.460 1.00 0.00 H new ATOM 0 H42 C B 16 27.202 20.781 23.833 1.00 0.00 H new ATOM 0 H5 C B 16 29.226 21.915 26.674 1.00 0.00 H new ATOM 0 H6 C B 16 29.203 20.675 28.797 1.00 0.00 H new ATOM 516 P A B 17 32.025 16.500 30.029 1.00 0.00 P ATOM 517 OP1 A B 17 32.672 15.519 30.926 1.00 0.00 O ATOM 518 OP2 A B 17 32.736 17.754 29.695 1.00 0.00 O ATOM 519 O5' A B 17 31.507 15.803 28.696 1.00 0.00 O ATOM 520 C5' A B 17 30.761 14.591 28.700 1.00 0.00 C ATOM 521 C4' A B 17 30.192 14.291 27.302 1.00 0.00 C ATOM 522 O4' A B 17 29.184 15.204 26.874 1.00 0.00 O ATOM 523 C3' A B 17 31.302 14.254 26.260 1.00 0.00 C ATOM 524 O3' A B 17 31.892 12.964 26.187 1.00 0.00 O ATOM 525 C2' A B 17 30.551 14.675 24.999 1.00 0.00 C ATOM 526 O2' A B 17 29.981 13.597 24.279 1.00 0.00 O ATOM 527 C1' A B 17 29.392 15.519 25.503 1.00 0.00 C ATOM 528 N9 A B 17 29.725 16.922 25.320 1.00 0.00 N ATOM 529 C8 A B 17 30.542 17.683 26.079 1.00 0.00 C ATOM 530 N7 A B 17 30.879 18.833 25.550 1.00 0.00 N ATOM 531 C5 A B 17 30.232 18.778 24.297 1.00 0.00 C ATOM 532 C6 A B 17 30.175 19.577 23.128 1.00 0.00 C ATOM 533 N6 A B 17 30.729 20.757 22.928 1.00 0.00 N ATOM 534 N1 A B 17 29.569 19.131 22.037 1.00 0.00 N ATOM 535 C2 A B 17 28.962 17.957 22.065 1.00 0.00 C ATOM 536 N3 A B 17 28.892 17.116 23.074 1.00 0.00 N ATOM 537 C4 A B 17 29.546 17.600 24.160 1.00 0.00 C ATOM 0 H5' A B 17 29.946 14.663 29.421 1.00 0.00 H new ATOM 0 H5'' A B 17 31.399 13.768 29.022 1.00 0.00 H new ATOM 0 H4' A B 17 29.720 13.313 27.394 1.00 0.00 H new ATOM 0 H3' A B 17 32.156 14.899 26.465 1.00 0.00 H new ATOM 0 H2' A B 17 31.249 15.174 24.326 1.00 0.00 H new ATOM 0 HO2' A B 17 30.311 13.609 23.356 1.00 0.00 H new ATOM 0 H1' A B 17 28.474 15.314 24.953 1.00 0.00 H new ATOM 0 H8 A B 17 30.892 17.367 27.051 1.00 0.00 H new ATOM 0 H61 A B 17 30.611 21.231 22.032 1.00 0.00 H new ATOM 0 H62 A B 17 31.276 21.196 23.669 1.00 0.00 H new ATOM 0 H2 A B 17 28.467 17.653 21.155 1.00 0.00 H new ATOM 549 P U B 18 33.193 12.724 25.328 1.00 0.00 P ATOM 550 OP1 U B 18 33.723 11.372 25.577 1.00 0.00 O ATOM 551 OP2 U B 18 34.150 13.814 25.581 1.00 0.00 O ATOM 552 O5' U B 18 32.770 12.829 23.803 1.00 0.00 O ATOM 553 C5' U B 18 32.198 11.747 23.086 1.00 0.00 C ATOM 554 C4' U B 18 31.971 12.225 21.645 1.00 0.00 C ATOM 555 O4' U B 18 31.227 13.433 21.622 1.00 0.00 O ATOM 556 C3' U B 18 33.289 12.588 20.972 1.00 0.00 C ATOM 557 O3' U B 18 33.986 11.463 20.454 1.00 0.00 O ATOM 558 C2' U B 18 32.932 13.614 19.919 1.00 0.00 C ATOM 559 O2' U B 18 32.650 13.037 18.654 1.00 0.00 O ATOM 560 C1' U B 18 31.680 14.235 20.535 1.00 0.00 C ATOM 561 N1 U B 18 31.952 15.653 20.898 1.00 0.00 N ATOM 562 C2 U B 18 31.727 16.623 19.918 1.00 0.00 C ATOM 563 O2 U B 18 31.223 16.374 18.827 1.00 0.00 O ATOM 564 N3 U B 18 32.157 17.900 20.192 1.00 0.00 N ATOM 565 C4 U B 18 32.819 18.313 21.319 1.00 0.00 C ATOM 566 O4 U B 18 33.282 19.454 21.361 1.00 0.00 O ATOM 567 C5 U B 18 32.952 17.276 22.332 1.00 0.00 C ATOM 568 C6 U B 18 32.563 15.992 22.083 1.00 0.00 C ATOM 0 H5' U B 18 31.257 11.439 23.542 1.00 0.00 H new ATOM 0 H5'' U B 18 32.860 10.881 23.104 1.00 0.00 H new ATOM 0 H4' U B 18 31.458 11.407 21.140 1.00 0.00 H new ATOM 0 H3' U B 18 33.999 12.997 21.691 1.00 0.00 H new ATOM 0 H2' U B 18 33.740 14.314 19.705 1.00 0.00 H new ATOM 0 HO2' U B 18 33.093 12.166 18.586 1.00 0.00 H new ATOM 0 HO3' U B 18 34.820 11.760 20.034 1.00 0.00 H new ATOM 0 H1' U B 18 30.862 14.255 19.814 1.00 0.00 H new ATOM 0 H3 U B 18 31.964 18.611 19.486 1.00 0.00 H new ATOM 0 H5 U B 18 33.366 17.527 23.297 1.00 0.00 H new ATOM 0 H6 U B 18 32.738 15.230 22.828 1.00 0.00 H new TER 580 U B 18 CONECT 137 161 CONECT 161 137 173 181 182 CONECT 162 163 168 183 CONECT 163 162 164 165 CONECT 164 163 191 192 CONECT 165 163 166 CONECT 166 165 167 172 CONECT 167 166 168 170 CONECT 168 162 167 169 CONECT 169 168 CONECT 170 167 171 CONECT 171 170 172 184 CONECT 172 166 171 174 CONECT 173 161 185 186 187 CONECT 174 172 175 179 188 CONECT 175 174 176 189 190 CONECT 176 175 177 178 193 CONECT 177 176 CONECT 178 176 179 180 194 CONECT 179 174 178 CONECT 180 178 181 195 196 CONECT 181 161 180 CONECT 182 161 CONECT 183 162 CONECT 184 171 CONECT 185 173 CONECT 186 173 CONECT 187 173 CONECT 188 174 CONECT 189 175 CONECT 190 175 CONECT 191 164 CONECT 192 164 CONECT 193 176 CONECT 194 178 CONECT 195 180 CONECT 196 180 END