USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 207 hydrogens (14 hets) HEADER DNA/RNA 18-MAR-11 2LAR TITLE DNA / RNA HYBRID CONTAINING A CENTRAL STEREO SPECIFIC RP 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 12-OCT-11 2LAR 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 2LAR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB102167. 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, 90% H2O/10% D2O; 1.0 MM DNA (5'-D(*AP*TP*GP*GP*TP* REMARK 210 BGR*CP*TP*C)-3'), 1.0 MM RNA (5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3' REMARK 210 ), 50 MM SODIUM CHLORIDE, 10 MM SODIUM PHOSPHATE, 0.5 MM EDTA, REMARK 210 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, MATRIX REMARK 210 RELAXATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURE WITH THE LOWEST REMARK 210 RESTRAINT 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 OP2 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. = 3.6 DEGREES REMARK 500 DA A 1 C4 - C5 - C6 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA A 1 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DA A 1 N1 - C6 - N6 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DG A 3 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES REMARK 500 DG A 4 O4' - C4' - C3' ANGL. DEV. = 6.0 DEGREES REMARK 500 DG A 4 C3' - C2' - C1' ANGL. DEV. = 7.8 DEGREES REMARK 500 DT A 5 O4' - C4' - C3' ANGL. DEV. = 6.4 DEGREES REMARK 500 DT A 5 C3' - C2' - C1' ANGL. DEV. = 7.7 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT A 8 O4' - C4' - C3' ANGL. DEV. = 5.2 DEGREES REMARK 500 DT A 8 C5 - C6 - N1 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 G B 10 C3' - C2' - C1' ANGL. DEV. = 6.2 DEGREES REMARK 500 A B 11 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 A B 11 N1 - C6 - N6 ANGL. DEV. = -4.6 DEGREES REMARK 500 C B 13 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES REMARK 500 A B 14 O4' - C1' - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 A B 14 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 A B 14 N1 - C6 - N6 ANGL. DEV. = -4.1 DEGREES REMARK 500 C B 16 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES REMARK 500 A B 17 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES REMARK 500 U B 18 O4' - C1' - N1 ANGL. DEV. = 6.6 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 DA A 1 0.08 SIDE CHAIN REMARK 500 DT A 2 0.08 SIDE CHAIN REMARK 500 DG A 3 0.07 SIDE CHAIN REMARK 500 DT A 8 0.14 SIDE CHAIN REMARK 500 G B 10 0.10 SIDE CHAIN REMARK 500 A B 11 0.08 SIDE CHAIN REMARK 500 A B 14 0.10 SIDE CHAIN REMARK 500 U B 18 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LB4 RELATED DB: PDB REMARK 900 RELATED ID: 17535 RELATED DB: BMRB DBREF 2LAR A 1 9 PDB 2LAR 2LAR 1 9 DBREF 2LAR B 10 18 PDB 2LAR 2LAR 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 (180deg=-1.16) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.462 (180deg=-0.462) USER MOD Single : A 9 DC O3' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot -124:sc= 1.2 USER MOD Single : B 10 G O5' : rot 180:sc= 0 USER MOD Single : B 11 A O2' : rot -22:sc= 0.0348 USER MOD Single : B 12 G O2' : rot 180:sc= 0 USER MOD Single : B 13 C O2' : rot -13:sc= -0.131 USER MOD Single : B 14 A O2' : rot 180:sc= 0 USER MOD Single : B 15 C O2' : rot -24:sc= 0.116 USER MOD Single : B 16 C O2' : rot 180:sc= 0 USER MOD Single : B 17 A O2' : rot 180:sc=-0.00629 USER MOD Single : B 18 U O2' : rot -21:sc= 0.0129 USER MOD Single : B 18 U O3' : rot 180:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 33.439 18.297 19.130 1.00 0.00 O ATOM 2 C5' DA A 1 34.504 17.402 19.453 1.00 0.00 C ATOM 3 C4' DA A 1 35.098 17.582 20.863 1.00 0.00 C ATOM 4 O4' DA A 1 35.714 18.861 20.941 1.00 0.00 O ATOM 5 C3' DA A 1 34.065 17.421 21.990 1.00 0.00 C ATOM 6 O3' DA A 1 34.518 16.484 22.964 1.00 0.00 O ATOM 7 C2' DA A 1 33.989 18.831 22.589 1.00 0.00 C ATOM 8 C1' DA A 1 35.250 19.553 22.092 1.00 0.00 C ATOM 9 N9 DA A 1 34.872 20.933 21.784 1.00 0.00 N ATOM 10 C8 DA A 1 34.385 21.277 20.579 1.00 0.00 C ATOM 11 N7 DA A 1 33.837 22.449 20.493 1.00 0.00 N ATOM 12 C5 DA A 1 33.977 22.923 21.810 1.00 0.00 C ATOM 13 C6 DA A 1 33.586 24.095 22.503 1.00 0.00 C ATOM 14 N6 DA A 1 32.924 25.102 21.965 1.00 0.00 N ATOM 15 N1 DA A 1 33.874 24.257 23.790 1.00 0.00 N ATOM 16 C2 DA A 1 34.517 23.281 24.411 1.00 0.00 C ATOM 17 N3 DA A 1 34.925 22.113 23.924 1.00 0.00 N ATOM 18 C4 DA A 1 34.619 22.001 22.602 1.00 0.00 C ATOM 0 H5' DA A 1 35.301 17.529 18.720 1.00 0.00 H new ATOM 0 H5'' DA A 1 34.141 16.379 19.355 1.00 0.00 H new ATOM 0 H4' DA A 1 35.829 16.788 21.012 1.00 0.00 H new ATOM 0 H3' DA A 1 33.103 17.046 21.641 1.00 0.00 H new ATOM 0 H2' DA A 1 33.086 19.348 22.264 1.00 0.00 H new ATOM 0 H2'' DA A 1 33.961 18.794 23.678 1.00 0.00 H new ATOM 0 HO5' DA A 1 33.123 18.115 18.220 1.00 0.00 H new ATOM 0 H1' DA A 1 36.050 19.568 22.832 1.00 0.00 H new ATOM 0 H8 DA A 1 34.447 20.613 19.729 1.00 0.00 H new ATOM 0 H61 DA A 1 32.679 25.913 22.533 1.00 0.00 H new ATOM 0 H62 DA A 1 32.657 25.069 20.981 1.00 0.00 H new ATOM 0 H2 DA A 1 34.740 23.457 25.453 1.00 0.00 H new ATOM 31 P DT A 2 33.537 15.811 24.043 1.00 0.00 P ATOM 32 OP1 DT A 2 34.221 14.602 24.554 1.00 0.00 O ATOM 33 OP2 DT A 2 32.199 15.642 23.434 1.00 0.00 O ATOM 34 O5' DT A 2 33.348 16.847 25.239 1.00 0.00 O ATOM 35 C5' DT A 2 34.386 17.146 26.169 1.00 0.00 C ATOM 36 C4' DT A 2 33.915 18.172 27.217 1.00 0.00 C ATOM 37 O4' DT A 2 33.676 19.416 26.570 1.00 0.00 O ATOM 38 C3' DT A 2 32.623 17.742 27.937 1.00 0.00 C ATOM 39 O3' DT A 2 32.763 17.684 29.351 1.00 0.00 O ATOM 40 C2' DT A 2 31.628 18.819 27.445 1.00 0.00 C ATOM 41 C1' DT A 2 32.550 20.011 27.177 1.00 0.00 C ATOM 42 N1 DT A 2 31.962 21.022 26.270 1.00 0.00 N ATOM 43 C2 DT A 2 31.971 22.376 26.627 1.00 0.00 C ATOM 44 O2 DT A 2 32.544 22.835 27.621 1.00 0.00 O ATOM 45 N3 DT A 2 31.324 23.230 25.766 1.00 0.00 N ATOM 46 C4 DT A 2 30.804 22.896 24.535 1.00 0.00 C ATOM 47 O4 DT A 2 30.248 23.765 23.864 1.00 0.00 O ATOM 48 C5 DT A 2 30.999 21.500 24.153 1.00 0.00 C ATOM 49 C7 DT A 2 30.684 21.033 22.747 1.00 0.00 C ATOM 50 C6 DT A 2 31.522 20.618 25.040 1.00 0.00 C ATOM 0 H5' DT A 2 35.253 17.537 25.637 1.00 0.00 H new ATOM 0 H5'' DT A 2 34.705 16.231 26.669 1.00 0.00 H new ATOM 0 H4' DT A 2 34.702 18.251 27.967 1.00 0.00 H new ATOM 0 H3' DT A 2 32.303 16.725 27.710 1.00 0.00 H new ATOM 0 H2' DT A 2 31.098 18.504 26.546 1.00 0.00 H new ATOM 0 H2'' DT A 2 30.873 19.049 28.196 1.00 0.00 H new ATOM 0 H1' DT A 2 32.763 20.558 28.095 1.00 0.00 H new ATOM 0 H3 DT A 2 31.219 24.199 26.066 1.00 0.00 H new ATOM 0 H71 DT A 2 29.879 21.640 22.334 1.00 0.00 H new ATOM 0 H72 DT A 2 31.572 21.134 22.123 1.00 0.00 H new ATOM 0 H73 DT A 2 30.374 19.988 22.771 1.00 0.00 H new ATOM 0 H6 DT A 2 31.593 19.575 24.769 1.00 0.00 H new ATOM 63 P DG A 3 31.672 16.912 30.235 1.00 0.00 P ATOM 64 OP1 DG A 3 32.423 15.973 31.098 1.00 0.00 O ATOM 65 OP2 DG A 3 30.631 16.359 29.332 1.00 0.00 O ATOM 66 O5' DG A 3 30.994 18.015 31.164 1.00 0.00 O ATOM 67 C5' DG A 3 31.516 18.316 32.456 1.00 0.00 C ATOM 68 C4' DG A 3 30.755 19.455 33.142 1.00 0.00 C ATOM 69 O4' DG A 3 31.069 20.671 32.505 1.00 0.00 O ATOM 70 C3' DG A 3 29.237 19.228 33.206 1.00 0.00 C ATOM 71 O3' DG A 3 28.784 18.981 34.541 1.00 0.00 O ATOM 72 C2' DG A 3 28.688 20.539 32.649 1.00 0.00 C ATOM 73 C1' DG A 3 29.899 21.432 32.357 1.00 0.00 C ATOM 74 N9 DG A 3 29.871 21.944 30.986 1.00 0.00 N ATOM 75 C8 DG A 3 30.167 21.174 29.915 1.00 0.00 C ATOM 76 N7 DG A 3 29.852 21.716 28.767 1.00 0.00 N ATOM 77 C5 DG A 3 29.372 22.991 29.123 1.00 0.00 C ATOM 78 C6 DG A 3 28.849 24.077 28.330 1.00 0.00 C ATOM 79 O6 DG A 3 28.680 24.147 27.112 1.00 0.00 O ATOM 80 N1 DG A 3 28.460 25.175 29.071 1.00 0.00 N ATOM 81 C2 DG A 3 28.546 25.236 30.424 1.00 0.00 C ATOM 82 N2 DG A 3 28.128 26.336 30.989 1.00 0.00 N ATOM 83 N3 DG A 3 29.013 24.256 31.210 1.00 0.00 N ATOM 84 C4 DG A 3 29.400 23.147 30.495 1.00 0.00 C ATOM 0 H5' DG A 3 32.568 18.588 32.366 1.00 0.00 H new ATOM 0 H5'' DG A 3 31.470 17.424 33.081 1.00 0.00 H new ATOM 0 H4' DG A 3 31.080 19.489 34.182 1.00 0.00 H new ATOM 0 H3' DG A 3 28.908 18.349 32.651 1.00 0.00 H new ATOM 0 H2' DG A 3 28.109 20.363 31.742 1.00 0.00 H new ATOM 0 H2'' DG A 3 28.020 21.015 33.366 1.00 0.00 H new ATOM 0 H1' DG A 3 29.873 22.272 33.051 1.00 0.00 H new ATOM 0 H8 DG A 3 30.623 20.199 30.000 1.00 0.00 H new ATOM 0 H1 DG A 3 28.088 25.984 28.574 1.00 0.00 H new ATOM 0 H21 DG A 3 28.170 26.436 32.003 1.00 0.00 H new ATOM 0 H22 DG A 3 27.760 27.095 30.416 1.00 0.00 H new ATOM 96 P DG A 4 27.281 18.479 34.856 1.00 0.00 P ATOM 97 OP1 DG A 4 27.251 17.943 36.238 1.00 0.00 O ATOM 98 OP2 DG A 4 26.849 17.598 33.751 1.00 0.00 O ATOM 99 O5' DG A 4 26.328 19.764 34.793 1.00 0.00 O ATOM 100 C5' DG A 4 26.430 20.826 35.730 1.00 0.00 C ATOM 101 C4' DG A 4 25.651 22.059 35.257 1.00 0.00 C ATOM 102 O4' DG A 4 26.275 22.727 34.168 1.00 0.00 O ATOM 103 C3' DG A 4 24.161 21.888 35.040 1.00 0.00 C ATOM 104 O3' DG A 4 23.583 22.222 36.296 1.00 0.00 O ATOM 105 C2' DG A 4 23.957 22.918 33.924 1.00 0.00 C ATOM 106 C1' DG A 4 25.304 23.469 33.458 1.00 0.00 C ATOM 107 N9 DG A 4 25.487 23.167 32.022 1.00 0.00 N ATOM 108 C8 DG A 4 25.740 21.945 31.466 1.00 0.00 C ATOM 109 N7 DG A 4 25.804 21.945 30.161 1.00 0.00 N ATOM 110 C5 DG A 4 25.473 23.265 29.822 1.00 0.00 C ATOM 111 C6 DG A 4 25.273 23.905 28.547 1.00 0.00 C ATOM 112 O6 DG A 4 25.436 23.456 27.412 1.00 0.00 O ATOM 113 N1 DG A 4 24.826 25.205 28.655 1.00 0.00 N ATOM 114 C2 DG A 4 24.621 25.840 29.834 1.00 0.00 C ATOM 115 N2 DG A 4 24.117 27.039 29.793 1.00 0.00 N ATOM 116 N3 DG A 4 24.813 25.300 31.034 1.00 0.00 N ATOM 117 C4 DG A 4 25.241 24.006 30.962 1.00 0.00 C ATOM 0 H5' DG A 4 27.478 21.088 35.874 1.00 0.00 H new ATOM 0 H5'' DG A 4 26.047 20.499 36.697 1.00 0.00 H new ATOM 0 H4' DG A 4 25.704 22.709 36.130 1.00 0.00 H new ATOM 0 H3' DG A 4 23.741 20.923 34.758 1.00 0.00 H new ATOM 0 H2' DG A 4 23.435 22.457 33.085 1.00 0.00 H new ATOM 0 H2'' DG A 4 23.327 23.733 34.282 1.00 0.00 H new ATOM 0 H1' DG A 4 25.374 24.545 33.620 1.00 0.00 H new ATOM 0 H8 DG A 4 25.876 21.051 32.057 1.00 0.00 H new ATOM 0 H1 DG A 4 24.638 25.720 27.795 1.00 0.00 H new ATOM 0 H21 DG A 4 23.947 27.551 30.659 1.00 0.00 H new ATOM 0 H22 DG A 4 23.892 27.467 28.895 1.00 0.00 H new ATOM 129 P DT A 5 22.138 21.785 36.769 1.00 0.00 P ATOM 130 OP1 DT A 5 22.089 21.967 38.237 1.00 0.00 O ATOM 131 OP2 DT A 5 21.798 20.467 36.187 1.00 0.00 O ATOM 132 O5' DT A 5 21.249 22.913 36.116 1.00 0.00 O ATOM 133 C5' DT A 5 21.290 24.241 36.628 1.00 0.00 C ATOM 134 C4' DT A 5 20.594 25.205 35.675 1.00 0.00 C ATOM 135 O4' DT A 5 21.376 25.254 34.490 1.00 0.00 O ATOM 136 C3' DT A 5 19.158 24.723 35.411 1.00 0.00 C ATOM 137 O3' DT A 5 18.203 25.585 36.035 1.00 0.00 O ATOM 138 C2' DT A 5 19.162 24.798 33.879 1.00 0.00 C ATOM 139 C1' DT A 5 20.517 25.284 33.380 1.00 0.00 C ATOM 140 N1 DT A 5 21.015 24.363 32.310 1.00 0.00 N ATOM 141 C2 DT A 5 21.129 24.866 31.009 1.00 0.00 C ATOM 142 O2 DT A 5 20.909 26.047 30.722 1.00 0.00 O ATOM 143 N3 DT A 5 21.477 23.967 30.025 1.00 0.00 N ATOM 144 C4 DT A 5 21.715 22.623 30.218 1.00 0.00 C ATOM 145 O4 DT A 5 22.117 21.959 29.267 1.00 0.00 O ATOM 146 C5 DT A 5 21.488 22.129 31.577 1.00 0.00 C ATOM 147 C7 DT A 5 21.647 20.631 31.849 1.00 0.00 C ATOM 148 C6 DT A 5 21.167 23.008 32.573 1.00 0.00 C ATOM 0 H5' DT A 5 22.326 24.549 36.773 1.00 0.00 H new ATOM 0 H5'' DT A 5 20.808 24.275 37.605 1.00 0.00 H new ATOM 0 H4' DT A 5 20.513 26.208 36.094 1.00 0.00 H new ATOM 0 H3' DT A 5 18.886 23.745 35.807 1.00 0.00 H new ATOM 0 H2' DT A 5 18.942 23.817 33.459 1.00 0.00 H new ATOM 0 H2'' DT A 5 18.377 25.473 33.539 1.00 0.00 H new ATOM 0 H1' DT A 5 20.459 26.287 32.957 1.00 0.00 H new ATOM 0 H3 DT A 5 21.566 24.326 29.074 1.00 0.00 H new ATOM 0 H71 DT A 5 21.974 20.481 32.878 1.00 0.00 H new ATOM 0 H72 DT A 5 20.691 20.130 31.695 1.00 0.00 H new ATOM 0 H73 DT A 5 22.389 20.214 31.168 1.00 0.00 H new ATOM 0 H6 DT A 5 21.029 22.643 33.580 1.00 0.00 H new HETATM 161 P BGR A 6 16.597 25.348 35.959 1.00 0.00 P HETATM 162 N1 BGR A 6 18.486 22.093 26.620 1.00 0.00 N HETATM 163 C2 BGR A 6 17.678 23.170 26.496 1.00 0.00 C HETATM 164 N2 BGR A 6 17.308 23.499 25.286 1.00 0.00 N HETATM 165 N3 BGR A 6 17.184 23.860 27.519 1.00 0.00 N HETATM 166 C4 BGR A 6 17.546 23.323 28.728 1.00 0.00 C HETATM 167 C5 BGR A 6 18.335 22.218 28.973 1.00 0.00 C HETATM 168 C6 BGR A 6 18.889 21.550 27.824 1.00 0.00 C HETATM 169 O6 BGR A 6 19.639 20.577 27.764 1.00 0.00 O HETATM 170 N7 BGR A 6 18.381 21.940 30.358 1.00 0.00 N HETATM 171 C8 BGR A 6 17.639 22.888 30.877 1.00 0.00 C HETATM 172 N9 BGR A 6 17.157 23.767 29.961 1.00 0.00 N HETATM 173 BP BGR A 6 15.672 26.919 36.635 1.00 0.00 B HETATM 174 C1' BGR A 6 16.278 24.891 30.248 1.00 0.00 C HETATM 175 C2' BGR A 6 14.851 24.393 30.491 1.00 0.00 C HETATM 176 C3' BGR A 6 14.431 24.939 31.849 1.00 0.00 C HETATM 177 O3' BGR A 6 13.203 25.654 31.732 1.00 0.00 O HETATM 178 C4' BGR A 6 15.587 25.887 32.155 1.00 0.00 C HETATM 179 O4' BGR A 6 16.734 25.468 31.455 1.00 0.00 O HETATM 180 C5' BGR A 6 15.842 26.244 33.615 1.00 0.00 C HETATM 181 O5' BGR A 6 16.189 25.134 34.423 1.00 0.00 O HETATM 182 OP1 BGR A 6 16.364 24.032 36.622 1.00 0.00 O HETATM 0 HN2A BGR A 6 16.699 24.304 25.140 1.00 0.00 H new HETATM 0 H5'A BGR A 6 16.643 26.982 33.664 1.00 0.00 H new HETATM 0 H3BP BGR A 6 15.962 27.792 36.050 1.00 0.00 H new HETATM 0 H2BP BGR A 6 14.595 26.770 36.555 1.00 0.00 H new HETATM 0 H2'A BGR A 6 14.179 24.742 29.707 1.00 0.00 H new HETATM 0 H1BP BGR A 6 15.940 27.077 37.680 1.00 0.00 H new HETATM 0 HN2 BGR A 6 17.629 22.951 24.488 1.00 0.00 H new HETATM 0 HN1 BGR A 6 18.821 21.651 25.764 1.00 0.00 H new HETATM 0 H8 BGR A 6 17.429 22.964 31.944 1.00 0.00 H new HETATM 0 H5' BGR A 6 14.949 26.715 34.025 1.00 0.00 H new HETATM 0 H4' BGR A 6 15.267 26.861 31.785 1.00 0.00 H new HETATM 0 H3' BGR A 6 14.261 24.182 32.615 1.00 0.00 H new HETATM 0 H2' BGR A 6 14.813 23.304 30.482 1.00 0.00 H new HETATM 0 H1' BGR A 6 16.284 25.595 29.416 1.00 0.00 H new ATOM 197 P DC A 7 11.788 24.920 31.638 1.00 0.00 P ATOM 198 OP1 DC A 7 10.746 25.962 31.817 1.00 0.00 O ATOM 199 OP2 DC A 7 11.808 23.773 32.574 1.00 0.00 O ATOM 200 O5' DC A 7 11.676 24.340 30.149 1.00 0.00 O ATOM 201 C5' DC A 7 11.419 25.204 29.045 1.00 0.00 C ATOM 202 C4' DC A 7 11.704 24.573 27.674 1.00 0.00 C ATOM 203 O4' DC A 7 13.063 24.183 27.601 1.00 0.00 O ATOM 204 C3' DC A 7 10.855 23.354 27.315 1.00 0.00 C ATOM 205 O3' DC A 7 9.762 23.774 26.509 1.00 0.00 O ATOM 206 C2' DC A 7 11.827 22.510 26.475 1.00 0.00 C ATOM 207 C1' DC A 7 13.196 23.129 26.673 1.00 0.00 C ATOM 208 N1 DC A 7 14.104 22.089 27.193 1.00 0.00 N ATOM 209 C2 DC A 7 14.880 21.339 26.307 1.00 0.00 C ATOM 210 O2 DC A 7 14.828 21.513 25.087 1.00 0.00 O ATOM 211 N3 DC A 7 15.675 20.352 26.770 1.00 0.00 N ATOM 212 C4 DC A 7 15.623 20.050 28.051 1.00 0.00 C ATOM 213 N4 DC A 7 16.397 19.080 28.424 1.00 0.00 N ATOM 214 C5 DC A 7 14.746 20.687 28.972 1.00 0.00 C ATOM 215 C6 DC A 7 13.976 21.697 28.494 1.00 0.00 C ATOM 0 H5' DC A 7 12.026 26.103 29.152 1.00 0.00 H new ATOM 0 H5'' DC A 7 10.376 25.518 29.079 1.00 0.00 H new ATOM 0 H4' DC A 7 11.446 25.354 26.959 1.00 0.00 H new ATOM 0 H3' DC A 7 10.445 22.822 28.174 1.00 0.00 H new ATOM 0 H2' DC A 7 11.819 21.469 26.798 1.00 0.00 H new ATOM 0 H2'' DC A 7 11.543 22.520 25.423 1.00 0.00 H new ATOM 0 H1' DC A 7 13.602 23.518 25.739 1.00 0.00 H new ATOM 0 H41 DC A 7 16.413 18.787 29.401 1.00 0.00 H new ATOM 0 H42 DC A 7 16.990 18.609 27.741 1.00 0.00 H new ATOM 0 H5 DC A 7 14.695 20.380 30.006 1.00 0.00 H new ATOM 0 H6 DC A 7 13.264 22.189 29.141 1.00 0.00 H new ATOM 227 P DT A 8 8.566 22.809 26.087 1.00 0.00 P ATOM 228 OP1 DT A 8 7.510 23.672 25.513 1.00 0.00 O ATOM 229 OP2 DT A 8 8.241 21.948 27.247 1.00 0.00 O ATOM 230 O5' DT A 8 9.157 21.878 24.922 1.00 0.00 O ATOM 231 C5' DT A 8 9.544 22.406 23.654 1.00 0.00 C ATOM 232 C4' DT A 8 10.252 21.338 22.802 1.00 0.00 C ATOM 233 O4' DT A 8 11.395 20.798 23.430 1.00 0.00 O ATOM 234 C3' DT A 8 9.320 20.232 22.305 1.00 0.00 C ATOM 235 O3' DT A 8 8.935 20.341 20.927 1.00 0.00 O ATOM 236 C2' DT A 8 10.210 19.017 22.445 1.00 0.00 C ATOM 237 C1' DT A 8 11.531 19.448 23.029 1.00 0.00 C ATOM 238 N1 DT A 8 11.907 18.661 24.218 1.00 0.00 N ATOM 239 C2 DT A 8 12.957 17.745 24.128 1.00 0.00 C ATOM 240 O2 DT A 8 13.392 17.310 23.063 1.00 0.00 O ATOM 241 N3 DT A 8 13.496 17.318 25.316 1.00 0.00 N ATOM 242 C4 DT A 8 13.050 17.684 26.570 1.00 0.00 C ATOM 243 O4 DT A 8 13.681 17.294 27.549 1.00 0.00 O ATOM 244 C5 DT A 8 11.845 18.525 26.585 1.00 0.00 C ATOM 245 C7 DT A 8 11.253 18.971 27.915 1.00 0.00 C ATOM 246 C6 DT A 8 11.304 18.967 25.413 1.00 0.00 C ATOM 0 H5' DT A 8 10.207 23.259 23.799 1.00 0.00 H new ATOM 0 H5'' DT A 8 8.664 22.773 23.125 1.00 0.00 H new ATOM 0 H4' DT A 8 10.593 21.878 21.919 1.00 0.00 H new ATOM 0 H3' DT A 8 8.379 20.236 22.855 1.00 0.00 H new ATOM 0 H2' DT A 8 9.737 18.275 23.088 1.00 0.00 H new ATOM 0 H2'' DT A 8 10.362 18.547 21.474 1.00 0.00 H new ATOM 0 H1' DT A 8 12.303 19.303 22.273 1.00 0.00 H new ATOM 0 H3 DT A 8 14.290 16.679 25.268 1.00 0.00 H new ATOM 0 H71 DT A 8 10.763 19.936 27.790 1.00 0.00 H new ATOM 0 H72 DT A 8 10.524 18.235 28.254 1.00 0.00 H new ATOM 0 H73 DT A 8 12.048 19.061 28.655 1.00 0.00 H new ATOM 0 H6 DT A 8 10.400 19.558 25.425 1.00 0.00 H new ATOM 259 P DC A 9 7.860 19.332 20.260 1.00 0.00 P ATOM 260 OP1 DC A 9 7.752 19.684 18.825 1.00 0.00 O ATOM 261 OP2 DC A 9 6.635 19.396 21.092 1.00 0.00 O ATOM 262 O5' DC A 9 8.470 17.832 20.347 1.00 0.00 O ATOM 263 C5' DC A 9 9.483 17.371 19.433 1.00 0.00 C ATOM 264 C4' DC A 9 10.228 16.069 19.833 1.00 0.00 C ATOM 265 O4' DC A 9 10.976 16.192 21.045 1.00 0.00 O ATOM 266 C3' DC A 9 9.272 14.889 20.092 1.00 0.00 C ATOM 267 O3' DC A 9 9.116 14.064 18.946 1.00 0.00 O ATOM 268 C2' DC A 9 9.942 14.081 21.238 1.00 0.00 C ATOM 269 C1' DC A 9 11.186 14.900 21.624 1.00 0.00 C ATOM 270 N1 DC A 9 11.247 14.954 23.117 1.00 0.00 N ATOM 271 C2 DC A 9 12.143 14.168 23.854 1.00 0.00 C ATOM 272 O2 DC A 9 12.947 13.406 23.313 1.00 0.00 O ATOM 273 N3 DC A 9 12.136 14.209 25.212 1.00 0.00 N ATOM 274 C4 DC A 9 11.215 14.938 25.816 1.00 0.00 C ATOM 275 N4 DC A 9 11.293 15.014 27.113 1.00 0.00 N ATOM 276 C5 DC A 9 10.239 15.703 25.125 1.00 0.00 C ATOM 277 C6 DC A 9 10.295 15.679 23.768 1.00 0.00 C ATOM 0 H5' DC A 9 10.221 18.164 19.311 1.00 0.00 H new ATOM 0 H5'' DC A 9 9.020 17.215 18.459 1.00 0.00 H new ATOM 0 H4' DC A 9 10.879 15.890 18.977 1.00 0.00 H new ATOM 0 H3' DC A 9 8.273 15.244 20.344 1.00 0.00 H new ATOM 0 H2' DC A 9 9.267 13.964 22.086 1.00 0.00 H new ATOM 0 H2'' DC A 9 10.215 13.079 20.908 1.00 0.00 H new ATOM 0 HO3' DC A 9 8.504 13.328 19.154 1.00 0.00 H new ATOM 0 H1' DC A 9 12.128 14.481 21.270 1.00 0.00 H new ATOM 0 H41 DC A 9 10.609 15.563 27.634 1.00 0.00 H new ATOM 0 H42 DC A 9 12.038 14.525 27.609 1.00 0.00 H new ATOM 0 H5 DC A 9 9.490 16.275 25.652 1.00 0.00 H new ATOM 0 H6 DC A 9 9.573 16.244 23.196 1.00 0.00 H new TER 290 DC A 9 ATOM 291 O5' G B 10 19.992 10.551 32.335 1.00 0.00 O ATOM 292 C5' G B 10 19.980 9.228 31.812 1.00 0.00 C ATOM 293 C4' G B 10 19.492 9.130 30.356 1.00 0.00 C ATOM 294 O4' G B 10 18.114 9.463 30.219 1.00 0.00 O ATOM 295 C3' G B 10 20.275 9.984 29.354 1.00 0.00 C ATOM 296 O3' G B 10 21.383 9.328 28.728 1.00 0.00 O ATOM 297 C2' G B 10 19.211 10.327 28.325 1.00 0.00 C ATOM 298 O2' G B 10 19.261 9.550 27.145 1.00 0.00 O ATOM 299 C1' G B 10 17.885 10.040 28.934 1.00 0.00 C ATOM 300 N9 G B 10 17.078 11.252 29.034 1.00 0.00 N ATOM 301 C8 G B 10 17.106 12.097 30.079 1.00 0.00 C ATOM 302 N7 G B 10 16.187 13.031 30.043 1.00 0.00 N ATOM 303 C5 G B 10 15.550 12.800 28.807 1.00 0.00 C ATOM 304 C6 G B 10 14.432 13.440 28.162 1.00 0.00 C ATOM 305 O6 G B 10 13.666 14.300 28.591 1.00 0.00 O ATOM 306 N1 G B 10 14.201 12.986 26.881 1.00 0.00 N ATOM 307 C2 G B 10 14.871 11.961 26.309 1.00 0.00 C ATOM 308 N2 G B 10 14.545 11.674 25.077 1.00 0.00 N ATOM 309 N3 G B 10 15.827 11.248 26.908 1.00 0.00 N ATOM 310 C4 G B 10 16.140 11.737 28.153 1.00 0.00 C ATOM 0 H5' G B 10 19.341 8.607 32.440 1.00 0.00 H new ATOM 0 H5'' G B 10 20.987 8.815 31.875 1.00 0.00 H new ATOM 0 H4' G B 10 19.663 8.081 30.116 1.00 0.00 H new ATOM 0 H3' G B 10 20.746 10.833 29.849 1.00 0.00 H new ATOM 0 H2' G B 10 19.379 11.369 28.054 1.00 0.00 H new ATOM 0 HO2' G B 10 19.336 10.141 26.367 1.00 0.00 H new ATOM 0 HO5' G B 10 20.311 10.534 33.262 1.00 0.00 H new ATOM 0 H1' G B 10 17.325 9.346 28.307 1.00 0.00 H new ATOM 0 H8 G B 10 17.825 12.013 30.881 1.00 0.00 H new ATOM 0 H1 G B 10 13.480 13.452 26.331 1.00 0.00 H new ATOM 0 H21 G B 10 15.015 10.911 24.590 1.00 0.00 H new ATOM 0 H22 G B 10 13.821 12.213 24.602 1.00 0.00 H new ATOM 323 P A B 11 22.515 10.156 27.957 1.00 0.00 P ATOM 324 OP1 A B 11 23.588 9.187 27.649 1.00 0.00 O ATOM 325 OP2 A B 11 22.840 11.339 28.780 1.00 0.00 O ATOM 326 O5' A B 11 21.853 10.630 26.548 1.00 0.00 O ATOM 327 C5' A B 11 21.840 9.783 25.391 1.00 0.00 C ATOM 328 C4' A B 11 20.941 10.280 24.231 1.00 0.00 C ATOM 329 O4' A B 11 19.581 10.449 24.610 1.00 0.00 O ATOM 330 C3' A B 11 21.315 11.592 23.538 1.00 0.00 C ATOM 331 O3' A B 11 22.384 11.490 22.598 1.00 0.00 O ATOM 332 C2' A B 11 19.991 11.837 22.791 1.00 0.00 C ATOM 333 O2' A B 11 19.797 10.940 21.694 1.00 0.00 O ATOM 334 C1' A B 11 18.986 11.517 23.871 1.00 0.00 C ATOM 335 N9 A B 11 18.657 12.640 24.770 1.00 0.00 N ATOM 336 C8 A B 11 19.062 12.745 26.057 1.00 0.00 C ATOM 337 N7 A B 11 18.487 13.684 26.762 1.00 0.00 N ATOM 338 C5 A B 11 17.570 14.222 25.844 1.00 0.00 C ATOM 339 C6 A B 11 16.523 15.176 25.925 1.00 0.00 C ATOM 340 N6 A B 11 16.208 15.862 27.008 1.00 0.00 N ATOM 341 N1 A B 11 15.713 15.397 24.886 1.00 0.00 N ATOM 342 C2 A B 11 15.931 14.703 23.772 1.00 0.00 C ATOM 343 N3 A B 11 16.856 13.773 23.544 1.00 0.00 N ATOM 344 C4 A B 11 17.652 13.575 24.634 1.00 0.00 C ATOM 0 H5' A B 11 21.507 8.789 25.690 1.00 0.00 H new ATOM 0 H5'' A B 11 22.861 9.680 25.022 1.00 0.00 H new ATOM 0 H4' A B 11 21.105 9.462 23.529 1.00 0.00 H new ATOM 0 H3' A B 11 21.669 12.359 24.227 1.00 0.00 H new ATOM 0 H2' A B 11 19.933 12.835 22.357 1.00 0.00 H new ATOM 0 HO2' A B 11 20.664 10.589 21.401 1.00 0.00 H new ATOM 0 H1' A B 11 18.029 11.266 23.413 1.00 0.00 H new ATOM 0 H8 A B 11 19.814 12.093 26.476 1.00 0.00 H new ATOM 0 H61 A B 11 15.438 16.531 26.982 1.00 0.00 H new ATOM 0 H62 A B 11 16.734 15.723 27.871 1.00 0.00 H new ATOM 0 H2 A B 11 15.272 14.923 22.945 1.00 0.00 H new ATOM 356 P G B 12 23.181 12.793 22.124 1.00 0.00 P ATOM 357 OP1 G B 12 24.140 12.398 21.067 1.00 0.00 O ATOM 358 OP2 G B 12 23.706 13.429 23.344 1.00 0.00 O ATOM 359 O5' G B 12 22.087 13.794 21.498 1.00 0.00 O ATOM 360 C5' G B 12 21.500 13.574 20.215 1.00 0.00 C ATOM 361 C4' G B 12 20.291 14.488 19.924 1.00 0.00 C ATOM 362 O4' G B 12 19.223 14.344 20.841 1.00 0.00 O ATOM 363 C3' G B 12 20.608 15.979 19.884 1.00 0.00 C ATOM 364 O3' G B 12 21.327 16.361 18.719 1.00 0.00 O ATOM 365 C2' G B 12 19.211 16.584 20.006 1.00 0.00 C ATOM 366 O2' G B 12 18.458 16.550 18.795 1.00 0.00 O ATOM 367 C1' G B 12 18.600 15.612 20.997 1.00 0.00 C ATOM 368 N9 G B 12 18.754 16.101 22.365 1.00 0.00 N ATOM 369 C8 G B 12 19.677 15.660 23.238 1.00 0.00 C ATOM 370 N7 G B 12 19.647 16.224 24.411 1.00 0.00 N ATOM 371 C5 G B 12 18.575 17.116 24.301 1.00 0.00 C ATOM 372 C6 G B 12 18.015 18.031 25.255 1.00 0.00 C ATOM 373 O6 G B 12 18.354 18.244 26.421 1.00 0.00 O ATOM 374 N1 G B 12 16.957 18.752 24.748 1.00 0.00 N ATOM 375 C2 G B 12 16.487 18.633 23.482 1.00 0.00 C ATOM 376 N2 G B 12 15.566 19.491 23.137 1.00 0.00 N ATOM 377 N3 G B 12 16.972 17.796 22.558 1.00 0.00 N ATOM 378 C4 G B 12 18.022 17.056 23.036 1.00 0.00 C ATOM 0 H5' G B 12 21.184 12.533 20.143 1.00 0.00 H new ATOM 0 H5'' G B 12 22.257 13.731 19.447 1.00 0.00 H new ATOM 0 H4' G B 12 20.002 14.141 18.932 1.00 0.00 H new ATOM 0 H3' G B 12 21.285 16.322 20.667 1.00 0.00 H new ATOM 0 H2' G B 12 19.227 17.639 20.280 1.00 0.00 H new ATOM 0 HO2' G B 12 17.577 16.951 18.946 1.00 0.00 H new ATOM 0 H1' G B 12 17.532 15.518 20.802 1.00 0.00 H new ATOM 0 H8 G B 12 20.393 14.892 22.984 1.00 0.00 H new ATOM 0 H1 G B 12 16.496 19.420 25.366 1.00 0.00 H new ATOM 0 H21 G B 12 15.166 19.461 22.199 1.00 0.00 H new ATOM 0 H22 G B 12 15.246 20.192 23.805 1.00 0.00 H new ATOM 390 P C B 13 22.307 17.616 18.722 1.00 0.00 P ATOM 391 OP1 C B 13 22.909 17.713 17.379 1.00 0.00 O ATOM 392 OP2 C B 13 23.191 17.484 19.905 1.00 0.00 O ATOM 393 O5' C B 13 21.363 18.887 18.925 1.00 0.00 O ATOM 394 C5' C B 13 20.417 19.265 17.932 1.00 0.00 C ATOM 395 C4' C B 13 19.375 20.269 18.457 1.00 0.00 C ATOM 396 O4' C B 13 18.490 19.744 19.459 1.00 0.00 O ATOM 397 C3' C B 13 19.953 21.580 18.993 1.00 0.00 C ATOM 398 O3' C B 13 20.196 22.537 17.977 1.00 0.00 O ATOM 399 C2' C B 13 18.781 22.025 19.856 1.00 0.00 C ATOM 400 O2' C B 13 17.743 22.564 19.049 1.00 0.00 O ATOM 401 C1' C B 13 18.263 20.750 20.448 1.00 0.00 C ATOM 402 N1 C B 13 18.905 20.475 21.747 1.00 0.00 N ATOM 403 C2 C B 13 18.490 21.147 22.904 1.00 0.00 C ATOM 404 O2 C B 13 17.550 21.941 22.884 1.00 0.00 O ATOM 405 N3 C B 13 19.151 20.962 24.075 1.00 0.00 N ATOM 406 C4 C B 13 20.247 20.225 24.068 1.00 0.00 C ATOM 407 N4 C B 13 20.881 20.055 25.193 1.00 0.00 N ATOM 408 C5 C B 13 20.727 19.596 22.895 1.00 0.00 C ATOM 409 C6 C B 13 20.008 19.698 21.777 1.00 0.00 C ATOM 0 H5' C B 13 19.906 18.375 17.565 1.00 0.00 H new ATOM 0 H5'' C B 13 20.942 19.703 17.083 1.00 0.00 H new ATOM 0 H4' C B 13 18.811 20.476 17.548 1.00 0.00 H new ATOM 0 H3' C B 13 20.918 21.470 19.488 1.00 0.00 H new ATOM 0 H2' C B 13 19.083 22.778 20.585 1.00 0.00 H new ATOM 0 HO2' C B 13 18.081 22.720 18.142 1.00 0.00 H new ATOM 0 H1' C B 13 17.199 20.795 20.682 1.00 0.00 H new ATOM 0 H41 C B 13 21.730 19.491 25.220 1.00 0.00 H new ATOM 0 H42 C B 13 20.528 20.486 26.047 1.00 0.00 H new ATOM 0 H5 C B 13 21.656 19.045 22.905 1.00 0.00 H new ATOM 0 H6 C B 13 20.309 19.157 20.892 1.00 0.00 H new ATOM 421 P A B 14 21.128 23.791 18.223 1.00 0.00 P ATOM 422 OP1 A B 14 21.177 24.568 16.970 1.00 0.00 O ATOM 423 OP2 A B 14 22.399 23.360 18.836 1.00 0.00 O ATOM 424 O5' A B 14 20.365 24.642 19.315 1.00 0.00 O ATOM 425 C5' A B 14 19.209 25.410 19.014 1.00 0.00 C ATOM 426 C4' A B 14 18.624 25.965 20.318 1.00 0.00 C ATOM 427 O4' A B 14 18.386 24.965 21.308 1.00 0.00 O ATOM 428 C3' A B 14 19.614 26.948 20.922 1.00 0.00 C ATOM 429 O3' A B 14 19.594 28.183 20.233 1.00 0.00 O ATOM 430 C2' A B 14 19.106 26.972 22.368 1.00 0.00 C ATOM 431 O2' A B 14 17.918 27.738 22.581 1.00 0.00 O ATOM 432 C1' A B 14 18.778 25.488 22.573 1.00 0.00 C ATOM 433 N9 A B 14 19.911 24.767 23.201 1.00 0.00 N ATOM 434 C8 A B 14 20.604 23.698 22.711 1.00 0.00 C ATOM 435 N7 A B 14 21.394 23.107 23.567 1.00 0.00 N ATOM 436 C5 A B 14 21.163 23.832 24.747 1.00 0.00 C ATOM 437 C6 A B 14 21.550 23.683 26.102 1.00 0.00 C ATOM 438 N6 A B 14 22.320 22.713 26.544 1.00 0.00 N ATOM 439 N1 A B 14 21.099 24.509 27.052 1.00 0.00 N ATOM 440 C2 A B 14 20.286 25.484 26.674 1.00 0.00 C ATOM 441 N3 A B 14 19.813 25.742 25.455 1.00 0.00 N ATOM 442 C4 A B 14 20.282 24.856 24.527 1.00 0.00 C ATOM 0 H5' A B 14 18.470 24.793 18.503 1.00 0.00 H new ATOM 0 H5'' A B 14 19.465 26.227 18.339 1.00 0.00 H new ATOM 0 H4' A B 14 17.671 26.423 20.053 1.00 0.00 H new ATOM 0 H3' A B 14 20.671 26.691 20.860 1.00 0.00 H new ATOM 0 H2' A B 14 19.833 27.428 23.041 1.00 0.00 H new ATOM 0 HO2' A B 14 17.667 27.696 23.527 1.00 0.00 H new ATOM 0 H1' A B 14 17.954 25.354 23.274 1.00 0.00 H new ATOM 0 H8 A B 14 20.506 23.365 21.688 1.00 0.00 H new ATOM 0 H61 A B 14 22.561 22.664 27.534 1.00 0.00 H new ATOM 0 H62 A B 14 22.676 22.010 25.897 1.00 0.00 H new ATOM 0 H2 A B 14 19.965 26.157 27.455 1.00 0.00 H new ATOM 454 P C B 15 20.918 29.033 20.050 1.00 0.00 P ATOM 455 OP1 C B 15 20.557 30.209 19.227 1.00 0.00 O ATOM 456 OP2 C B 15 21.986 28.131 19.565 1.00 0.00 O ATOM 457 O5' C B 15 21.338 29.520 21.501 1.00 0.00 O ATOM 458 C5' C B 15 20.624 30.545 22.162 1.00 0.00 C ATOM 459 C4' C B 15 20.955 30.583 23.656 1.00 0.00 C ATOM 460 O4' C B 15 20.668 29.344 24.289 1.00 0.00 O ATOM 461 C3' C B 15 22.388 30.963 24.045 1.00 0.00 C ATOM 462 O3' C B 15 22.550 32.372 23.979 1.00 0.00 O ATOM 463 C2' C B 15 22.370 30.457 25.495 1.00 0.00 C ATOM 464 O2' C B 15 21.669 31.342 26.361 1.00 0.00 O ATOM 465 C1' C B 15 21.588 29.156 25.360 1.00 0.00 C ATOM 466 N1 C B 15 22.485 27.983 25.143 1.00 0.00 N ATOM 467 C2 C B 15 23.141 27.427 26.245 1.00 0.00 C ATOM 468 O2 C B 15 23.102 27.971 27.349 1.00 0.00 O ATOM 469 N3 C B 15 23.842 26.276 26.120 1.00 0.00 N ATOM 470 C4 C B 15 23.917 25.703 24.935 1.00 0.00 C ATOM 471 N4 C B 15 24.562 24.574 24.870 1.00 0.00 N ATOM 472 C5 C B 15 23.307 26.239 23.774 1.00 0.00 C ATOM 473 C6 C B 15 22.606 27.390 23.916 1.00 0.00 C ATOM 0 H5' C B 15 19.554 30.389 22.029 1.00 0.00 H new ATOM 0 H5'' C B 15 20.864 31.507 21.710 1.00 0.00 H new ATOM 0 H4' C B 15 20.311 31.392 24.001 1.00 0.00 H new ATOM 0 H3' C B 15 23.190 30.563 23.425 1.00 0.00 H new ATOM 0 H2' C B 15 23.369 30.359 25.921 1.00 0.00 H new ATOM 0 HO2' C B 15 21.666 32.243 25.975 1.00 0.00 H new ATOM 0 H1' C B 15 21.054 28.928 26.282 1.00 0.00 H new ATOM 0 H41 C B 15 24.650 24.088 23.978 1.00 0.00 H new ATOM 0 H42 C B 15 24.979 24.176 25.711 1.00 0.00 H new ATOM 0 H5 C B 15 23.397 25.750 22.815 1.00 0.00 H new ATOM 0 H6 C B 15 22.139 27.843 23.054 1.00 0.00 H new ATOM 485 P C B 16 23.954 33.055 23.718 1.00 0.00 P ATOM 486 OP1 C B 16 23.705 34.512 23.712 1.00 0.00 O ATOM 487 OP2 C B 16 24.574 32.438 22.528 1.00 0.00 O ATOM 488 O5' C B 16 24.813 32.691 25.013 1.00 0.00 O ATOM 489 C5' C B 16 24.570 33.402 26.217 1.00 0.00 C ATOM 490 C4' C B 16 25.212 32.811 27.475 1.00 0.00 C ATOM 491 O4' C B 16 24.783 31.485 27.792 1.00 0.00 O ATOM 492 C3' C B 16 26.735 32.737 27.475 1.00 0.00 C ATOM 493 O3' C B 16 27.316 34.032 27.533 1.00 0.00 O ATOM 494 C2' C B 16 26.964 31.839 28.684 1.00 0.00 C ATOM 495 O2' C B 16 26.709 32.479 29.930 1.00 0.00 O ATOM 496 C1' C B 16 25.876 30.790 28.413 1.00 0.00 C ATOM 497 N1 C B 16 26.335 29.627 27.585 1.00 0.00 N ATOM 498 C2 C B 16 26.934 28.538 28.234 1.00 0.00 C ATOM 499 O2 C B 16 27.244 28.591 29.423 1.00 0.00 O ATOM 500 N3 C B 16 27.204 27.391 27.563 1.00 0.00 N ATOM 501 C4 C B 16 26.891 27.327 26.283 1.00 0.00 C ATOM 502 N4 C B 16 27.210 26.216 25.683 1.00 0.00 N ATOM 503 C5 C B 16 26.313 28.405 25.558 1.00 0.00 C ATOM 504 C6 C B 16 26.080 29.555 26.235 1.00 0.00 C ATOM 0 H5' C B 16 23.493 33.459 26.373 1.00 0.00 H new ATOM 0 H5'' C B 16 24.929 34.424 26.093 1.00 0.00 H new ATOM 0 H4' C B 16 24.869 33.537 28.212 1.00 0.00 H new ATOM 0 H3' C B 16 27.208 32.338 26.577 1.00 0.00 H new ATOM 0 H2' C B 16 27.991 31.487 28.778 1.00 0.00 H new ATOM 0 HO2' C B 16 26.873 31.848 30.662 1.00 0.00 H new ATOM 0 H1' C B 16 25.580 30.333 29.357 1.00 0.00 H new ATOM 0 H41 C B 16 27.000 26.093 24.693 1.00 0.00 H new ATOM 0 H42 C B 16 27.670 25.469 26.204 1.00 0.00 H new ATOM 0 H5 C B 16 26.070 28.311 24.510 1.00 0.00 H new ATOM 0 H6 C B 16 25.693 30.418 25.713 1.00 0.00 H new ATOM 516 P A B 17 28.758 34.309 26.942 1.00 0.00 P ATOM 517 OP1 A B 17 29.141 35.702 27.247 1.00 0.00 O ATOM 518 OP2 A B 17 28.830 33.847 25.540 1.00 0.00 O ATOM 519 O5' A B 17 29.714 33.375 27.776 1.00 0.00 O ATOM 520 C5' A B 17 29.981 33.619 29.146 1.00 0.00 C ATOM 521 C4' A B 17 30.860 32.509 29.724 1.00 0.00 C ATOM 522 O4' A B 17 30.186 31.263 29.799 1.00 0.00 O ATOM 523 C3' A B 17 32.116 32.293 28.886 1.00 0.00 C ATOM 524 O3' A B 17 33.100 33.274 29.158 1.00 0.00 O ATOM 525 C2' A B 17 32.502 30.880 29.319 1.00 0.00 C ATOM 526 O2' A B 17 33.150 30.825 30.585 1.00 0.00 O ATOM 527 C1' A B 17 31.113 30.249 29.441 1.00 0.00 C ATOM 528 N9 A B 17 30.719 29.606 28.193 1.00 0.00 N ATOM 529 C8 A B 17 29.977 30.116 27.183 1.00 0.00 C ATOM 530 N7 A B 17 29.750 29.285 26.201 1.00 0.00 N ATOM 531 C5 A B 17 30.435 28.128 26.618 1.00 0.00 C ATOM 532 C6 A B 17 30.673 26.840 26.082 1.00 0.00 C ATOM 533 N6 A B 17 30.256 26.441 24.895 1.00 0.00 N ATOM 534 N1 A B 17 31.418 25.953 26.750 1.00 0.00 N ATOM 535 C2 A B 17 31.906 26.309 27.932 1.00 0.00 C ATOM 536 N3 A B 17 31.785 27.467 28.559 1.00 0.00 N ATOM 537 C4 A B 17 31.023 28.329 27.837 1.00 0.00 C ATOM 0 H5' A B 17 29.045 33.676 29.701 1.00 0.00 H new ATOM 0 H5'' A B 17 30.478 34.582 29.260 1.00 0.00 H new ATOM 0 H4' A B 17 31.120 32.846 30.727 1.00 0.00 H new ATOM 0 H3' A B 17 31.985 32.388 27.808 1.00 0.00 H new ATOM 0 H2' A B 17 33.206 30.407 28.634 1.00 0.00 H new ATOM 0 HO2' A B 17 33.367 29.894 30.801 1.00 0.00 H new ATOM 0 H1' A B 17 31.131 29.477 30.210 1.00 0.00 H new ATOM 0 H8 A B 17 29.602 31.129 27.188 1.00 0.00 H new ATOM 0 H61 A B 17 30.465 25.496 24.572 1.00 0.00 H new ATOM 0 H62 A B 17 29.725 27.078 24.300 1.00 0.00 H new ATOM 0 H2 A B 17 32.477 25.553 28.450 1.00 0.00 H new ATOM 549 P U B 18 34.216 33.620 28.095 1.00 0.00 P ATOM 550 OP1 U B 18 35.092 34.639 28.720 1.00 0.00 O ATOM 551 OP2 U B 18 33.525 33.945 26.821 1.00 0.00 O ATOM 552 O5' U B 18 35.026 32.248 27.919 1.00 0.00 O ATOM 553 C5' U B 18 35.937 31.809 28.922 1.00 0.00 C ATOM 554 C4' U B 18 36.584 30.443 28.653 1.00 0.00 C ATOM 555 O4' U B 18 35.650 29.357 28.641 1.00 0.00 O ATOM 556 C3' U B 18 37.215 30.384 27.274 1.00 0.00 C ATOM 557 O3' U B 18 38.455 31.058 27.132 1.00 0.00 O ATOM 558 C2' U B 18 37.232 28.934 26.864 1.00 0.00 C ATOM 559 O2' U B 18 38.401 28.217 27.241 1.00 0.00 O ATOM 560 C1' U B 18 35.975 28.448 27.576 1.00 0.00 C ATOM 561 N1 U B 18 34.917 28.284 26.542 1.00 0.00 N ATOM 562 C2 U B 18 34.819 27.047 25.892 1.00 0.00 C ATOM 563 O2 U B 18 35.424 26.035 26.256 1.00 0.00 O ATOM 564 N3 U B 18 33.997 26.984 24.792 1.00 0.00 N ATOM 565 C4 U B 18 33.219 28.006 24.307 1.00 0.00 C ATOM 566 O4 U B 18 32.568 27.839 23.277 1.00 0.00 O ATOM 567 C5 U B 18 33.281 29.221 25.097 1.00 0.00 C ATOM 568 C6 U B 18 34.142 29.338 26.142 1.00 0.00 C ATOM 0 H5' U B 18 35.411 31.764 29.876 1.00 0.00 H new ATOM 0 H5'' U B 18 36.726 32.554 29.027 1.00 0.00 H new ATOM 0 H4' U B 18 37.304 30.341 29.465 1.00 0.00 H new ATOM 0 H3' U B 18 36.607 30.964 26.580 1.00 0.00 H new ATOM 0 H2' U B 18 37.247 28.784 25.784 1.00 0.00 H new ATOM 0 HO2' U B 18 39.131 28.848 27.411 1.00 0.00 H new ATOM 0 HO3' U B 18 38.777 30.959 26.212 1.00 0.00 H new ATOM 0 H1' U B 18 36.104 27.480 28.060 1.00 0.00 H new ATOM 0 H3 U B 18 33.962 26.097 24.290 1.00 0.00 H new ATOM 0 H5 U B 18 32.631 30.048 24.850 1.00 0.00 H new ATOM 0 H6 U B 18 34.216 30.280 26.666 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