USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) HEADER DNA 28-MAR-02 1LAI TITLE SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTGTCCGCG. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*AP*CP*AP*CP*CP*GP*CP*G)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED SOURCE 4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED SOURCE 8 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM. KEYWDS DNA, B-TYPE, NMR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE REVDAT 2 24-FEB-09 1LAI 1 VERSN REVDAT 1 17-APR-02 1LAI 0 JRNL AUTH J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE JRNL TITL STRUCTURE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING A JRNL TITL 2 1,N(2)-PROPANODEOXYGUANOSINE ADDUCT POSITIONED IN JRNL TITL 3 A PALINDROME DERIVED FROM THE SALMONELLA JRNL TITL 4 TYPHIMURIUM HISD3052 GENE: HOOGSTEEN PAIRING AT PH JRNL TITL 5 5.2. JRNL REF CHEM.RES.TOXICOL. V. 15 127 2002 JRNL REFN ISSN 0893-228X JRNL PMID 11849038 JRNL DOI 10.1021/TX0101090 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LAI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015793. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 278 REMARK 210 PH : 6.8; 6.8 REMARK 210 IONIC STRENGTH : 100 MM NACL; 100 MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.8 MM DNA STRAND, 10 MM REMARK 210 SODIUM PHOSPHATE, 100 MM NACL, REMARK 210 50 UM EDTA; 1.8 MM DNA STRAND, REMARK 210 1 MM SODIUM PHOSPHATE, 100 MM REMARK 210 NACL, 50 UM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, 31P-1H REMARK 210 COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UXNMR 3.0, FELIX 97.0, 2000, REMARK 210 MARDIGRAS 3.2 REMARK 210 METHOD USED : MOLECULAR DYNAMICS USING A REMARK 210 SIMULATED ANNEALING PROTOCOL. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 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 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -4.0 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 7 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -4.2 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG B 15 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 17 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 17 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DA B 19 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 19 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA B 21 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 21 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 22 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 23 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG B 24 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 24 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 24 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC B 25 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG B 26 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 52 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LA8 RELATED DB: PDB REMARK 900 1LA8 IS THE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN REMARK 900 CGCGGTGTCCGCG. REMARK 900 RELATED ID: 1LAE RELATED DB: PDB REMARK 900 1LAE IS THE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANODEOXYGUANOSINE ADDUCT AT THE SEVENTH POSITON. REMARK 900 RELATED ID: 1LAQ RELATED DB: PDB REMARK 900 1LAQ IS THE SOLUTION STRUCTURE OF THE B-DNA DUPLEX REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANOGEOXYGUANOSINE ADDUCT WITH THE DEOXYRIBOSE AT C20 REMARK 900 OPPOSITE PDG IN THE C2' ENDO CONFORMATION. REMARK 900 RELATED ID: 1LAS RELATED DB: PDB REMARK 900 1LAS IS THE SOLUTION STRUCTURE OF THE B-DNA DUPLEX REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANOGEOXYGUANOSINE ADDUCT WITH THE DEOXYRIBOSE AT C20 REMARK 900 OPPOSITE PDG IN THE C3' ENDO CONFORMATION. DBREF 1LAI A 1 13 PDB 1LAI 1LAI 1 13 DBREF 1LAI B 14 26 PDB 1LAI 1LAI 14 26 SEQRES 1 A 13 DC DG DC DG DG DT DG DT DC DC DG DC DG SEQRES 1 B 13 DC DG DC DG DG DA DC DA DC DC DG DC DG 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 DC O5' : rot 180:sc= -0.902 USER MOD Single : A 6 DT C7 :methyl -30:sc= -0.165 (180deg=-1.79) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.823 (180deg=-0.823) USER MOD Single : A 13 DG O3' : rot 180:sc= 0 USER MOD Single : B 14 DC O5' : rot 180:sc= -1.36 USER MOD Single : B 26 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -2.067 -7.555 1.005 1.00 1.41 O ATOM 2 C5' DC A 1 -1.155 -8.183 0.100 1.00 1.51 C ATOM 3 C4' DC A 1 0.273 -7.676 0.297 1.00 1.41 C ATOM 4 O4' DC A 1 0.347 -6.233 0.118 1.00 1.27 O ATOM 5 C3' DC A 1 0.766 -7.957 1.706 1.00 1.37 C ATOM 6 O3' DC A 1 2.173 -8.239 1.714 1.00 1.39 O ATOM 7 C2' DC A 1 0.449 -6.686 2.433 1.00 1.20 C ATOM 8 C1' DC A 1 0.653 -5.610 1.394 1.00 1.13 C ATOM 9 N1 DC A 1 -0.217 -4.441 1.645 1.00 1.01 N ATOM 10 C2 DC A 1 0.389 -3.199 1.781 1.00 0.87 C ATOM 11 O2 DC A 1 1.612 -3.092 1.708 1.00 0.85 O ATOM 12 N3 DC A 1 -0.406 -2.115 2.000 1.00 0.78 N ATOM 13 C4 DC A 1 -1.737 -2.243 2.084 1.00 0.82 C ATOM 14 N4 DC A 1 -2.488 -1.162 2.296 1.00 0.75 N ATOM 15 C5 DC A 1 -2.363 -3.522 1.946 1.00 0.96 C ATOM 16 C6 DC A 1 -1.568 -4.586 1.729 1.00 1.05 C ATOM 0 H5' DC A 1 -1.471 -7.993 -0.926 1.00 1.51 H new ATOM 0 H5'' DC A 1 -1.182 -9.263 0.247 1.00 1.51 H new ATOM 0 H4' DC A 1 0.884 -8.195 -0.442 1.00 1.41 H new ATOM 0 H3' DC A 1 0.302 -8.831 2.162 1.00 1.37 H new ATOM 0 H2' DC A 1 -0.573 -6.687 2.811 1.00 1.20 H new ATOM 0 H2'' DC A 1 1.106 -6.542 3.291 1.00 1.20 H new ATOM 0 HO5' DC A 1 -2.971 -7.901 0.851 1.00 1.41 H new ATOM 0 H1' DC A 1 1.673 -5.227 1.416 1.00 1.13 H new ATOM 0 H41 DC A 1 -3.502 -1.250 2.361 1.00 0.75 H new ATOM 0 H42 DC A 1 -2.048 -0.247 2.393 1.00 0.75 H new ATOM 0 H5 DC A 1 -3.435 -3.630 2.014 1.00 0.96 H new ATOM 0 H6 DC A 1 -2.007 -5.567 1.620 1.00 1.05 H new ATOM 29 P DG A 2 2.958 -8.502 3.097 1.00 1.38 P ATOM 30 OP1 DG A 2 4.105 -9.394 2.814 1.00 1.98 O ATOM 31 OP2 DG A 2 1.969 -8.880 4.132 1.00 1.90 O ATOM 32 O5' DG A 2 3.529 -7.040 3.455 1.00 1.20 O ATOM 33 C5' DG A 2 4.698 -6.536 2.801 1.00 1.19 C ATOM 34 C4' DG A 2 5.246 -5.298 3.504 1.00 1.08 C ATOM 35 O4' DG A 2 4.306 -4.197 3.424 1.00 0.95 O ATOM 36 C3' DG A 2 5.503 -5.585 4.979 1.00 1.11 C ATOM 37 O3' DG A 2 6.816 -5.123 5.352 1.00 1.12 O ATOM 38 C2' DG A 2 4.416 -4.836 5.705 1.00 1.00 C ATOM 39 C1' DG A 2 3.978 -3.743 4.753 1.00 0.88 C ATOM 40 N9 DG A 2 2.543 -3.445 4.878 1.00 0.80 N ATOM 41 C8 DG A 2 1.505 -4.284 5.056 1.00 0.86 C ATOM 42 N7 DG A 2 0.320 -3.772 5.121 1.00 0.78 N ATOM 43 C5 DG A 2 0.594 -2.409 4.971 1.00 0.65 C ATOM 44 C6 DG A 2 -0.291 -1.297 4.954 1.00 0.53 C ATOM 45 O6 DG A 2 -1.514 -1.292 5.065 1.00 0.52 O ATOM 46 N1 DG A 2 0.397 -0.102 4.780 1.00 0.45 N ATOM 47 C2 DG A 2 1.765 0.016 4.641 1.00 0.48 C ATOM 48 N2 DG A 2 2.242 1.252 4.493 1.00 0.43 N ATOM 49 N3 DG A 2 2.603 -1.025 4.655 1.00 0.58 N ATOM 50 C4 DG A 2 1.955 -2.201 4.822 1.00 0.67 C ATOM 0 H5' DG A 2 4.459 -6.291 1.766 1.00 1.19 H new ATOM 0 H5'' DG A 2 5.465 -7.311 2.777 1.00 1.19 H new ATOM 0 H4' DG A 2 6.177 -5.031 3.003 1.00 1.08 H new ATOM 0 H3' DG A 2 5.481 -6.648 5.219 1.00 1.11 H new ATOM 0 H2' DG A 2 3.585 -5.495 5.956 1.00 1.00 H new ATOM 0 H2'' DG A 2 4.785 -4.417 6.641 1.00 1.00 H new ATOM 0 H1' DG A 2 4.491 -2.810 4.985 1.00 0.88 H new ATOM 0 H8 DG A 2 1.658 -5.350 5.142 1.00 0.86 H new ATOM 0 H1 DG A 2 -0.153 0.756 4.753 1.00 0.45 H new ATOM 0 H21 DG A 2 3.245 1.402 4.386 1.00 0.43 H new ATOM 0 H22 DG A 2 1.604 2.048 4.487 1.00 0.43 H new ATOM 62 P DC A 3 7.230 -4.835 6.889 1.00 1.13 P ATOM 63 OP1 DC A 3 8.652 -5.208 7.060 1.00 1.90 O ATOM 64 OP2 DC A 3 6.202 -5.427 7.775 1.00 1.60 O ATOM 65 O5' DC A 3 7.116 -3.228 6.985 1.00 1.00 O ATOM 66 C5' DC A 3 7.935 -2.394 6.156 1.00 0.97 C ATOM 67 C4' DC A 3 7.686 -0.905 6.404 1.00 0.85 C ATOM 68 O4' DC A 3 6.291 -0.561 6.192 1.00 0.74 O ATOM 69 C3' DC A 3 8.032 -0.512 7.833 1.00 0.89 C ATOM 70 O3' DC A 3 8.721 0.746 7.870 1.00 0.87 O ATOM 71 C2' DC A 3 6.702 -0.429 8.524 1.00 0.83 C ATOM 72 C1' DC A 3 5.716 -0.071 7.429 1.00 0.70 C ATOM 73 N1 DC A 3 4.389 -0.682 7.672 1.00 0.67 N ATOM 74 C2 DC A 3 3.276 0.149 7.636 1.00 0.54 C ATOM 75 O2 DC A 3 3.407 1.357 7.445 1.00 0.48 O ATOM 76 N3 DC A 3 2.048 -0.410 7.821 1.00 0.52 N ATOM 77 C4 DC A 3 1.914 -1.725 8.031 1.00 0.62 C ATOM 78 N4 DC A 3 0.696 -2.241 8.202 1.00 0.61 N ATOM 79 C5 DC A 3 3.057 -2.583 8.069 1.00 0.76 C ATOM 80 C6 DC A 3 4.267 -2.022 7.889 1.00 0.77 C ATOM 0 H5' DC A 3 7.740 -2.623 5.108 1.00 0.97 H new ATOM 0 H5'' DC A 3 8.985 -2.620 6.341 1.00 0.97 H new ATOM 0 H4' DC A 3 8.323 -0.371 5.699 1.00 0.85 H new ATOM 0 H3' DC A 3 8.702 -1.225 8.312 1.00 0.89 H new ATOM 0 H2' DC A 3 6.442 -1.377 8.996 1.00 0.83 H new ATOM 0 H2'' DC A 3 6.711 0.326 9.310 1.00 0.83 H new ATOM 0 H1' DC A 3 5.551 1.006 7.393 1.00 0.70 H new ATOM 0 H41 DC A 3 0.584 -3.242 8.363 1.00 0.61 H new ATOM 0 H42 DC A 3 -0.124 -1.635 8.172 1.00 0.61 H new ATOM 0 H5 DC A 3 2.953 -3.645 8.236 1.00 0.76 H new ATOM 0 H6 DC A 3 5.152 -2.641 7.917 1.00 0.77 H new ATOM 92 P DG A 4 9.102 1.447 9.273 1.00 0.94 P ATOM 93 OP1 DG A 4 10.324 2.256 9.069 1.00 1.88 O ATOM 94 OP2 DG A 4 9.071 0.415 10.335 1.00 1.34 O ATOM 95 O5' DG A 4 7.864 2.451 9.510 1.00 0.81 O ATOM 96 C5' DG A 4 7.734 3.637 8.720 1.00 0.77 C ATOM 97 C4' DG A 4 6.661 4.577 9.270 1.00 0.71 C ATOM 98 O4' DG A 4 5.343 3.957 9.248 1.00 0.63 O ATOM 99 C3' DG A 4 6.937 4.949 10.718 1.00 0.78 C ATOM 100 O3' DG A 4 6.576 6.317 10.971 1.00 0.78 O ATOM 101 C2' DG A 4 6.076 3.988 11.483 1.00 0.75 C ATOM 102 C1' DG A 4 4.853 3.833 10.609 1.00 0.65 C ATOM 103 N9 DG A 4 4.180 2.533 10.820 1.00 0.63 N ATOM 104 C8 DG A 4 4.708 1.306 11.065 1.00 0.67 C ATOM 105 N7 DG A 4 3.891 0.314 11.174 1.00 0.64 N ATOM 106 C5 DG A 4 2.656 0.938 10.984 1.00 0.56 C ATOM 107 C6 DG A 4 1.349 0.385 10.986 1.00 0.50 C ATOM 108 O6 DG A 4 1.019 -0.787 11.151 1.00 0.50 O ATOM 109 N1 DG A 4 0.383 1.357 10.761 1.00 0.45 N ATOM 110 C2 DG A 4 0.637 2.698 10.556 1.00 0.46 C ATOM 111 N2 DG A 4 -0.427 3.480 10.368 1.00 0.43 N ATOM 112 N3 DG A 4 1.864 3.227 10.550 1.00 0.51 N ATOM 113 C4 DG A 4 2.823 2.298 10.769 1.00 0.56 C ATOM 0 H5' DG A 4 7.486 3.364 7.694 1.00 0.77 H new ATOM 0 H5'' DG A 4 8.691 4.158 8.688 1.00 0.77 H new ATOM 0 H4' DG A 4 6.685 5.459 8.630 1.00 0.71 H new ATOM 0 H3' DG A 4 7.989 4.880 10.996 1.00 0.78 H new ATOM 0 H2' DG A 4 6.581 3.035 11.639 1.00 0.75 H new ATOM 0 H2'' DG A 4 5.818 4.377 12.468 1.00 0.75 H new ATOM 0 H1' DG A 4 4.100 4.585 10.845 1.00 0.65 H new ATOM 0 H8 DG A 4 5.774 1.166 11.165 1.00 0.67 H new ATOM 0 H1 DG A 4 -0.591 1.056 10.746 1.00 0.45 H new ATOM 0 H21 DG A 4 -0.303 4.480 10.211 1.00 0.43 H new ATOM 0 H22 DG A 4 -1.364 3.078 10.381 1.00 0.43 H new ATOM 125 P DG A 5 6.471 6.897 12.473 1.00 0.84 P ATOM 126 OP1 DG A 5 6.908 8.312 12.453 1.00 1.94 O ATOM 127 OP2 DG A 5 7.120 5.939 13.395 1.00 1.04 O ATOM 128 O5' DG A 5 4.883 6.863 12.744 1.00 0.77 O ATOM 129 C5' DG A 5 4.010 7.750 12.037 1.00 0.75 C ATOM 130 C4' DG A 5 2.596 7.734 12.614 1.00 0.71 C ATOM 131 O4' DG A 5 1.980 6.426 12.462 1.00 0.66 O ATOM 132 C3' DG A 5 2.610 8.056 14.102 1.00 0.73 C ATOM 133 O3' DG A 5 1.548 8.968 14.434 1.00 0.73 O ATOM 134 C2' DG A 5 2.427 6.719 14.763 1.00 0.70 C ATOM 135 C1' DG A 5 1.636 5.902 13.765 1.00 0.66 C ATOM 136 N9 DG A 5 1.953 4.463 13.870 1.00 0.65 N ATOM 137 C8 DG A 5 3.156 3.843 13.951 1.00 0.67 C ATOM 138 N7 DG A 5 3.163 2.555 14.030 1.00 0.66 N ATOM 139 C5 DG A 5 1.797 2.260 14.000 1.00 0.61 C ATOM 140 C6 DG A 5 1.137 1.003 14.054 1.00 0.58 C ATOM 141 O6 DG A 5 1.636 -0.118 14.129 1.00 0.58 O ATOM 142 N1 DG A 5 -0.243 1.149 13.998 1.00 0.55 N ATOM 143 C2 DG A 5 -0.912 2.353 13.902 1.00 0.54 C ATOM 144 N2 DG A 5 -2.244 2.288 13.866 1.00 0.52 N ATOM 145 N3 DG A 5 -0.299 3.539 13.849 1.00 0.57 N ATOM 146 C4 DG A 5 1.048 3.423 13.903 1.00 0.60 C ATOM 0 H5' DG A 5 3.977 7.465 10.985 1.00 0.75 H new ATOM 0 H5'' DG A 5 4.409 8.764 12.080 1.00 0.75 H new ATOM 0 H4' DG A 5 2.029 8.486 12.065 1.00 0.71 H new ATOM 0 H3' DG A 5 3.527 8.549 14.425 1.00 0.73 H new ATOM 0 H2' DG A 5 3.387 6.252 14.985 1.00 0.70 H new ATOM 0 H2'' DG A 5 1.893 6.814 15.708 1.00 0.70 H new ATOM 0 H1' DG A 5 0.565 5.981 13.952 1.00 0.66 H new ATOM 0 H8 DG A 5 4.077 4.408 13.949 1.00 0.67 H new ATOM 0 H1 DG A 5 -0.807 0.300 14.030 1.00 0.55 H new ATOM 0 H21 DG A 5 -2.795 3.144 13.796 1.00 0.52 H new ATOM 0 H22 DG A 5 -2.712 1.383 13.909 1.00 0.52 H new ATOM 158 P DT A 6 1.064 9.193 15.958 1.00 0.74 P ATOM 159 OP1 DT A 6 0.634 10.602 16.104 1.00 1.90 O ATOM 160 OP2 DT A 6 2.094 8.639 16.867 1.00 0.92 O ATOM 161 O5' DT A 6 -0.244 8.255 16.046 1.00 0.67 O ATOM 162 C5' DT A 6 -1.370 8.513 15.201 1.00 0.67 C ATOM 163 C4' DT A 6 -2.561 7.617 15.535 1.00 0.61 C ATOM 164 O4' DT A 6 -2.240 6.210 15.354 1.00 0.57 O ATOM 165 C3' DT A 6 -3.006 7.793 16.980 1.00 0.60 C ATOM 166 O3' DT A 6 -4.437 7.849 17.077 1.00 0.58 O ATOM 167 C2' DT A 6 -2.456 6.584 17.675 1.00 0.56 C ATOM 168 C1' DT A 6 -2.436 5.513 16.606 1.00 0.54 C ATOM 169 N1 DT A 6 -1.363 4.526 16.855 1.00 0.53 N ATOM 170 C2 DT A 6 -1.722 3.191 16.926 1.00 0.49 C ATOM 171 O2 DT A 6 -2.879 2.810 16.758 1.00 0.47 O ATOM 172 N3 DT A 6 -0.699 2.304 17.199 1.00 0.50 N ATOM 173 C4 DT A 6 0.628 2.630 17.409 1.00 0.53 C ATOM 174 O4 DT A 6 1.458 1.754 17.643 1.00 0.53 O ATOM 175 C5 DT A 6 0.904 4.045 17.316 1.00 0.56 C ATOM 176 C7 DT A 6 2.313 4.561 17.567 1.00 0.61 C ATOM 177 C6 DT A 6 -0.069 4.926 17.044 1.00 0.56 C ATOM 0 H5' DT A 6 -1.083 8.360 14.160 1.00 0.67 H new ATOM 0 H5'' DT A 6 -1.665 9.558 15.300 1.00 0.67 H new ATOM 0 H4' DT A 6 -3.357 7.915 14.853 1.00 0.61 H new ATOM 0 H3' DT A 6 -2.650 8.724 17.421 1.00 0.60 H new ATOM 0 H2' DT A 6 -1.457 6.772 18.068 1.00 0.56 H new ATOM 0 H2'' DT A 6 -3.081 6.292 18.519 1.00 0.56 H new ATOM 0 H1' DT A 6 -3.364 4.941 16.596 1.00 0.54 H new ATOM 0 H3 DT A 6 -0.946 1.316 17.251 1.00 0.50 H new ATOM 0 H71 DT A 6 2.819 3.907 18.277 1.00 0.61 H new ATOM 0 H72 DT A 6 2.867 4.577 16.629 1.00 0.61 H new ATOM 0 H73 DT A 6 2.263 5.570 17.976 1.00 0.61 H new ATOM 0 H6 DT A 6 0.175 5.976 16.972 1.00 0.56 H new ATOM 190 P DG A 7 -5.170 7.885 18.514 1.00 0.57 P ATOM 191 OP1 DG A 7 -6.495 8.521 18.341 1.00 1.70 O ATOM 192 OP2 DG A 7 -4.219 8.425 19.511 1.00 1.09 O ATOM 193 O5' DG A 7 -5.398 6.321 18.830 1.00 0.47 O ATOM 194 C5' DG A 7 -6.438 5.592 18.170 1.00 0.45 C ATOM 195 C4' DG A 7 -6.730 4.261 18.860 1.00 0.44 C ATOM 196 O4' DG A 7 -5.588 3.364 18.789 1.00 0.44 O ATOM 197 C3' DG A 7 -7.051 4.465 20.336 1.00 0.45 C ATOM 198 O3' DG A 7 -8.193 3.681 20.721 1.00 0.45 O ATOM 199 C2' DG A 7 -5.804 4.022 21.043 1.00 0.46 C ATOM 200 C1' DG A 7 -5.192 2.986 20.127 1.00 0.46 C ATOM 201 N9 DG A 7 -3.721 2.939 20.263 1.00 0.47 N ATOM 202 C8 DG A 7 -2.824 3.952 20.344 1.00 0.49 C ATOM 203 N7 DG A 7 -1.574 3.640 20.429 1.00 0.50 N ATOM 204 C5 DG A 7 -1.626 2.244 20.406 1.00 0.49 C ATOM 205 C6 DG A 7 -0.572 1.294 20.469 1.00 0.50 C ATOM 206 O6 DG A 7 0.637 1.500 20.548 1.00 0.51 O ATOM 207 N1 DG A 7 -1.055 -0.007 20.419 1.00 0.50 N ATOM 208 C2 DG A 7 -2.387 -0.358 20.321 1.00 0.49 C ATOM 209 N2 DG A 7 -2.656 -1.663 20.297 1.00 0.50 N ATOM 210 N3 DG A 7 -3.384 0.530 20.259 1.00 0.48 N ATOM 211 C4 DG A 7 -2.937 1.806 20.306 1.00 0.48 C ATOM 0 H5' DG A 7 -6.151 5.408 17.135 1.00 0.45 H new ATOM 0 H5'' DG A 7 -7.345 6.195 18.147 1.00 0.45 H new ATOM 0 H4' DG A 7 -7.584 3.828 18.339 1.00 0.44 H new ATOM 0 H3' DG A 7 -7.313 5.495 20.578 1.00 0.45 H new ATOM 0 H2' DG A 7 -5.123 4.858 21.207 1.00 0.46 H new ATOM 0 H2'' DG A 7 -6.032 3.600 22.022 1.00 0.46 H new ATOM 0 H1' DG A 7 -5.539 1.983 20.377 1.00 0.46 H new ATOM 0 H8 DG A 7 -3.144 4.984 20.338 1.00 0.49 H new ATOM 0 H1 DG A 7 -0.372 -0.763 20.458 1.00 0.50 H new ATOM 0 H21 DG A 7 -3.622 -1.983 20.226 1.00 0.50 H new ATOM 0 H22 DG A 7 -1.896 -2.341 20.350 1.00 0.50 H new ATOM 223 P DT A 8 -8.552 3.408 22.271 1.00 0.50 P ATOM 224 OP1 DT A 8 -10.021 3.260 22.386 1.00 1.60 O ATOM 225 OP2 DT A 8 -7.846 4.410 23.101 1.00 1.13 O ATOM 226 O5' DT A 8 -7.878 1.969 22.535 1.00 0.48 O ATOM 227 C5' DT A 8 -8.318 0.822 21.800 1.00 0.51 C ATOM 228 C4' DT A 8 -7.610 -0.456 22.249 1.00 0.50 C ATOM 229 O4' DT A 8 -6.169 -0.359 22.063 1.00 0.49 O ATOM 230 C3' DT A 8 -7.848 -0.732 23.728 1.00 0.48 C ATOM 231 O3' DT A 8 -8.073 -2.133 23.960 1.00 0.50 O ATOM 232 C2' DT A 8 -6.579 -0.263 24.378 1.00 0.46 C ATOM 233 C1' DT A 8 -5.518 -0.556 23.340 1.00 0.47 C ATOM 234 N1 DT A 8 -4.323 0.312 23.489 1.00 0.46 N ATOM 235 C2 DT A 8 -3.086 -0.312 23.512 1.00 0.46 C ATOM 236 O2 DT A 8 -2.964 -1.533 23.430 1.00 0.47 O ATOM 237 N3 DT A 8 -1.989 0.517 23.636 1.00 0.45 N ATOM 238 C4 DT A 8 -2.016 1.894 23.740 1.00 0.45 C ATOM 239 O4 DT A 8 -0.971 2.532 23.840 1.00 0.46 O ATOM 240 C5 DT A 8 -3.347 2.457 23.709 1.00 0.45 C ATOM 241 C7 DT A 8 -3.539 3.962 23.819 1.00 0.45 C ATOM 242 C6 DT A 8 -4.431 1.676 23.588 1.00 0.45 C ATOM 0 H5' DT A 8 -8.137 0.982 20.737 1.00 0.51 H new ATOM 0 H5'' DT A 8 -9.394 0.703 21.925 1.00 0.51 H new ATOM 0 H4' DT A 8 -8.022 -1.259 21.638 1.00 0.50 H new ATOM 0 H3' DT A 8 -8.732 -0.229 24.122 1.00 0.48 H new ATOM 0 H2' DT A 8 -6.621 0.799 24.619 1.00 0.46 H new ATOM 0 H2'' DT A 8 -6.386 -0.794 25.310 1.00 0.46 H new ATOM 0 H1' DT A 8 -5.134 -1.571 23.447 1.00 0.47 H new ATOM 0 H3 DT A 8 -1.072 0.070 23.652 1.00 0.45 H new ATOM 0 H71 DT A 8 -4.437 4.255 23.275 1.00 0.45 H new ATOM 0 H72 DT A 8 -3.643 4.240 24.868 1.00 0.45 H new ATOM 0 H73 DT A 8 -2.674 4.471 23.393 1.00 0.45 H new ATOM 0 H6 DT A 8 -5.410 2.131 23.568 1.00 0.45 H new ATOM 255 P DC A 9 -8.091 -2.749 25.454 1.00 0.46 P ATOM 256 OP1 DC A 9 -9.122 -3.810 25.502 1.00 1.38 O ATOM 257 OP2 DC A 9 -8.141 -1.630 26.423 1.00 1.34 O ATOM 258 O5' DC A 9 -6.642 -3.448 25.567 1.00 0.45 O ATOM 259 C5' DC A 9 -6.337 -4.612 24.790 1.00 0.50 C ATOM 260 C4' DC A 9 -5.239 -5.466 25.426 1.00 0.48 C ATOM 261 O4' DC A 9 -3.966 -4.777 25.464 1.00 0.47 O ATOM 262 C3' DC A 9 -5.568 -5.840 26.860 1.00 0.42 C ATOM 263 O3' DC A 9 -5.061 -7.150 27.174 1.00 0.44 O ATOM 264 C2' DC A 9 -4.882 -4.775 27.662 1.00 0.37 C ATOM 265 C1' DC A 9 -3.678 -4.375 26.823 1.00 0.40 C ATOM 266 N1 DC A 9 -3.366 -2.926 26.912 1.00 0.38 N ATOM 267 C2 DC A 9 -2.034 -2.573 27.089 1.00 0.38 C ATOM 268 O2 DC A 9 -1.170 -3.443 27.191 1.00 0.40 O ATOM 269 N3 DC A 9 -1.717 -1.251 27.153 1.00 0.38 N ATOM 270 C4 DC A 9 -2.662 -0.311 27.049 1.00 0.37 C ATOM 271 N4 DC A 9 -2.314 0.976 27.105 1.00 0.38 N ATOM 272 C5 DC A 9 -4.035 -0.665 26.870 1.00 0.36 C ATOM 273 C6 DC A 9 -4.342 -1.977 26.807 1.00 0.37 C ATOM 0 H5' DC A 9 -6.024 -4.307 23.791 1.00 0.50 H new ATOM 0 H5'' DC A 9 -7.239 -5.213 24.672 1.00 0.50 H new ATOM 0 H4' DC A 9 -5.176 -6.356 24.799 1.00 0.48 H new ATOM 0 H3' DC A 9 -6.638 -5.889 27.060 1.00 0.42 H new ATOM 0 H2' DC A 9 -5.542 -3.925 27.838 1.00 0.37 H new ATOM 0 H2'' DC A 9 -4.577 -5.150 28.639 1.00 0.37 H new ATOM 0 H1' DC A 9 -2.784 -4.873 27.199 1.00 0.40 H new ATOM 0 H41 DC A 9 -3.027 1.701 27.027 1.00 0.38 H new ATOM 0 H42 DC A 9 -1.335 1.235 27.226 1.00 0.38 H new ATOM 0 H5 DC A 9 -4.801 0.092 26.788 1.00 0.36 H new ATOM 0 H6 DC A 9 -5.370 -2.280 26.672 1.00 0.37 H new ATOM 285 P DC A 10 -4.992 -7.699 28.693 1.00 0.40 P ATOM 286 OP1 DC A 10 -5.446 -9.107 28.695 1.00 1.36 O ATOM 287 OP2 DC A 10 -5.649 -6.713 29.581 1.00 1.32 O ATOM 288 O5' DC A 10 -3.408 -7.679 29.004 1.00 0.41 O ATOM 289 C5' DC A 10 -2.519 -8.543 28.286 1.00 0.50 C ATOM 290 C4' DC A 10 -1.059 -8.354 28.706 1.00 0.50 C ATOM 291 O4' DC A 10 -0.644 -6.966 28.580 1.00 0.46 O ATOM 292 C3' DC A 10 -0.836 -8.735 30.161 1.00 0.47 C ATOM 293 O3' DC A 10 0.458 -9.330 30.350 1.00 0.52 O ATOM 294 C2' DC A 10 -0.948 -7.426 30.879 1.00 0.39 C ATOM 295 C1' DC A 10 -0.366 -6.430 29.901 1.00 0.40 C ATOM 296 N1 DC A 10 -0.947 -5.075 30.066 1.00 0.34 N ATOM 297 C2 DC A 10 -0.063 -4.005 30.139 1.00 0.33 C ATOM 298 O2 DC A 10 1.151 -4.199 30.097 1.00 0.37 O ATOM 299 N3 DC A 10 -0.576 -2.751 30.263 1.00 0.30 N ATOM 300 C4 DC A 10 -1.898 -2.548 30.315 1.00 0.27 C ATOM 301 N4 DC A 10 -2.366 -1.305 30.429 1.00 0.27 N ATOM 302 C5 DC A 10 -2.812 -3.644 30.243 1.00 0.28 C ATOM 303 C6 DC A 10 -2.298 -4.883 30.120 1.00 0.31 C ATOM 0 H5' DC A 10 -2.615 -8.352 27.217 1.00 0.50 H new ATOM 0 H5'' DC A 10 -2.811 -9.580 28.452 1.00 0.50 H new ATOM 0 H4' DC A 10 -0.480 -8.998 28.044 1.00 0.50 H new ATOM 0 H3' DC A 10 -1.546 -9.478 30.523 1.00 0.47 H new ATOM 0 H2' DC A 10 -1.984 -7.190 31.122 1.00 0.39 H new ATOM 0 H2'' DC A 10 -0.394 -7.436 31.818 1.00 0.39 H new ATOM 0 H1' DC A 10 0.704 -6.304 30.069 1.00 0.40 H new ATOM 0 H41 DC A 10 -3.372 -1.140 30.469 1.00 0.27 H new ATOM 0 H42 DC A 10 -1.718 -0.519 30.476 1.00 0.27 H new ATOM 0 H5 DC A 10 -3.879 -3.484 30.286 1.00 0.28 H new ATOM 0 H6 DC A 10 -2.961 -5.733 30.063 1.00 0.31 H new ATOM 315 P DG A 11 1.023 -9.652 31.828 1.00 0.52 P ATOM 316 OP1 DG A 11 1.854 -10.875 31.748 1.00 1.39 O ATOM 317 OP2 DG A 11 -0.106 -9.592 32.784 1.00 1.39 O ATOM 318 O5' DG A 11 1.995 -8.397 32.118 1.00 0.49 O ATOM 319 C5' DG A 11 3.338 -8.391 31.621 1.00 0.56 C ATOM 320 C4' DG A 11 4.211 -7.361 32.337 1.00 0.54 C ATOM 321 O4' DG A 11 3.688 -6.024 32.147 1.00 0.46 O ATOM 322 C3' DG A 11 4.259 -7.636 33.836 1.00 0.56 C ATOM 323 O3' DG A 11 5.618 -7.590 34.312 1.00 0.62 O ATOM 324 C2' DG A 11 3.421 -6.549 34.450 1.00 0.48 C ATOM 325 C1' DG A 11 3.375 -5.434 33.426 1.00 0.42 C ATOM 326 N9 DG A 11 2.054 -4.784 33.400 1.00 0.34 N ATOM 327 C8 DG A 11 0.819 -5.337 33.437 1.00 0.32 C ATOM 328 N7 DG A 11 -0.196 -4.540 33.388 1.00 0.26 N ATOM 329 C5 DG A 11 0.428 -3.290 33.309 1.00 0.25 C ATOM 330 C6 DG A 11 -0.140 -1.991 33.228 1.00 0.24 C ATOM 331 O6 DG A 11 -1.328 -1.679 33.205 1.00 0.24 O ATOM 332 N1 DG A 11 0.840 -1.008 33.165 1.00 0.27 N ATOM 333 C2 DG A 11 2.201 -1.240 33.179 1.00 0.30 C ATOM 334 N2 DG A 11 2.985 -0.164 33.114 1.00 0.34 N ATOM 335 N3 DG A 11 2.743 -2.459 33.255 1.00 0.32 N ATOM 336 C4 DG A 11 1.807 -3.433 33.316 1.00 0.29 C ATOM 0 H5' DG A 11 3.328 -8.177 30.552 1.00 0.56 H new ATOM 0 H5'' DG A 11 3.774 -9.383 31.743 1.00 0.56 H new ATOM 0 H4' DG A 11 5.211 -7.438 31.911 1.00 0.54 H new ATOM 0 H3' DG A 11 3.884 -8.626 34.095 1.00 0.56 H new ATOM 0 H2' DG A 11 2.419 -6.911 34.679 1.00 0.48 H new ATOM 0 H2'' DG A 11 3.857 -6.202 35.387 1.00 0.48 H new ATOM 0 H1' DG A 11 4.094 -4.655 33.678 1.00 0.42 H new ATOM 0 H8 DG A 11 0.687 -6.407 33.505 1.00 0.32 H new ATOM 0 H1 DG A 11 0.529 -0.038 33.104 1.00 0.27 H new ATOM 0 H21 DG A 11 3.999 -0.271 33.120 1.00 0.34 H new ATOM 0 H22 DG A 11 2.571 0.766 33.058 1.00 0.34 H new ATOM 348 P DC A 12 5.976 -7.374 35.876 1.00 0.66 P ATOM 349 OP1 DC A 12 7.261 -8.053 36.153 1.00 1.44 O ATOM 350 OP2 DC A 12 4.780 -7.709 36.682 1.00 1.47 O ATOM 351 O5' DC A 12 6.217 -5.779 35.969 1.00 0.61 O ATOM 352 C5' DC A 12 7.306 -5.173 35.262 1.00 0.63 C ATOM 353 C4' DC A 12 7.353 -3.653 35.445 1.00 0.60 C ATOM 354 O4' DC A 12 6.070 -3.039 35.140 1.00 0.50 O ATOM 355 C3' DC A 12 7.685 -3.259 36.876 1.00 0.65 C ATOM 356 O3' DC A 12 8.521 -2.092 36.910 1.00 0.66 O ATOM 357 C2' DC A 12 6.341 -2.989 37.482 1.00 0.60 C ATOM 358 C1' DC A 12 5.540 -2.418 36.341 1.00 0.50 C ATOM 359 N1 DC A 12 4.085 -2.677 36.479 1.00 0.45 N ATOM 360 C2 DC A 12 3.222 -1.613 36.244 1.00 0.40 C ATOM 361 O2 DC A 12 3.668 -0.497 35.983 1.00 0.40 O ATOM 362 N3 DC A 12 1.882 -1.839 36.317 1.00 0.37 N ATOM 363 C4 DC A 12 1.402 -3.054 36.608 1.00 0.38 C ATOM 364 N4 DC A 12 0.083 -3.241 36.664 1.00 0.36 N ATOM 365 C5 DC A 12 2.284 -4.152 36.854 1.00 0.43 C ATOM 366 C6 DC A 12 3.609 -3.921 36.783 1.00 0.47 C ATOM 0 H5' DC A 12 7.219 -5.405 34.201 1.00 0.63 H new ATOM 0 H5'' DC A 12 8.245 -5.606 35.607 1.00 0.63 H new ATOM 0 H4' DC A 12 8.128 -3.306 34.762 1.00 0.60 H new ATOM 0 H3' DC A 12 8.242 -4.027 37.413 1.00 0.65 H new ATOM 0 H2' DC A 12 5.888 -3.900 37.872 1.00 0.60 H new ATOM 0 H2'' DC A 12 6.411 -2.287 38.313 1.00 0.60 H new ATOM 0 H1' DC A 12 5.633 -1.332 36.315 1.00 0.50 H new ATOM 0 H41 DC A 12 -0.292 -4.163 36.885 1.00 0.36 H new ATOM 0 H42 DC A 12 -0.551 -2.462 36.486 1.00 0.36 H new ATOM 0 H5 DC A 12 1.901 -5.134 37.089 1.00 0.43 H new ATOM 0 H6 DC A 12 4.303 -4.728 36.968 1.00 0.47 H new ATOM 378 P DG A 13 9.044 -1.480 38.309 1.00 0.75 P ATOM 379 OP1 DG A 13 10.502 -1.246 38.194 1.00 1.51 O ATOM 380 OP2 DG A 13 8.519 -2.314 39.413 1.00 1.52 O ATOM 381 O5' DG A 13 8.306 -0.048 38.366 1.00 0.71 O ATOM 382 C5' DG A 13 8.747 1.032 37.535 1.00 0.71 C ATOM 383 C4' DG A 13 8.036 2.341 37.874 1.00 0.71 C ATOM 384 O4' DG A 13 6.602 2.216 37.691 1.00 0.65 O ATOM 385 C3' DG A 13 8.252 2.726 39.327 1.00 0.78 C ATOM 386 O3' DG A 13 8.288 4.149 39.481 1.00 0.82 O ATOM 387 C2' DG A 13 7.060 2.140 40.020 1.00 0.77 C ATOM 388 C1' DG A 13 5.951 2.217 38.987 1.00 0.69 C ATOM 389 N9 DG A 13 5.020 1.077 39.109 1.00 0.66 N ATOM 390 C8 DG A 13 5.287 -0.243 39.264 1.00 0.66 C ATOM 391 N7 DG A 13 4.286 -1.055 39.320 1.00 0.64 N ATOM 392 C5 DG A 13 3.204 -0.181 39.189 1.00 0.61 C ATOM 393 C6 DG A 13 1.812 -0.458 39.173 1.00 0.59 C ATOM 394 O6 DG A 13 1.251 -1.548 39.266 1.00 0.59 O ATOM 395 N1 DG A 13 1.063 0.703 39.022 1.00 0.60 N ATOM 396 C2 DG A 13 1.585 1.976 38.901 1.00 0.62 C ATOM 397 N2 DG A 13 0.702 2.967 38.764 1.00 0.65 N ATOM 398 N3 DG A 13 2.894 2.244 38.914 1.00 0.63 N ATOM 399 C4 DG A 13 3.644 1.127 39.060 1.00 0.63 C ATOM 0 H5' DG A 13 8.567 0.782 36.489 1.00 0.71 H new ATOM 0 H5'' DG A 13 9.823 1.163 37.651 1.00 0.71 H new ATOM 0 H4' DG A 13 8.453 3.096 37.207 1.00 0.71 H new ATOM 0 H3' DG A 13 9.199 2.364 39.728 1.00 0.78 H new ATOM 0 H2' DG A 13 7.245 1.111 40.329 1.00 0.77 H new ATOM 0 H2'' DG A 13 6.806 2.702 40.919 1.00 0.77 H new ATOM 0 HO3' DG A 13 8.426 4.372 40.425 1.00 0.82 H new ATOM 0 H1' DG A 13 5.351 3.116 39.129 1.00 0.69 H new ATOM 0 H8 DG A 13 6.303 -0.603 39.338 1.00 0.66 H new ATOM 0 H1 DG A 13 0.048 0.607 38.999 1.00 0.60 H new ATOM 0 H21 DG A 13 1.026 3.930 38.670 1.00 0.65 H new ATOM 0 H22 DG A 13 -0.297 2.762 38.753 1.00 0.65 H new TER 412 DG A 13 ATOM 413 O5' DC B 14 -7.289 0.502 40.720 1.00 0.94 O ATOM 414 C5' DC B 14 -7.568 1.680 41.483 1.00 1.04 C ATOM 415 C4' DC B 14 -6.719 2.859 41.028 1.00 1.02 C ATOM 416 O4' DC B 14 -5.303 2.529 41.077 1.00 0.95 O ATOM 417 C3' DC B 14 -7.031 3.211 39.587 1.00 0.97 C ATOM 418 O3' DC B 14 -6.893 4.622 39.358 1.00 1.02 O ATOM 419 C2' DC B 14 -6.013 2.422 38.829 1.00 0.85 C ATOM 420 C1' DC B 14 -4.791 2.443 39.723 1.00 0.84 C ATOM 421 N1 DC B 14 -3.956 1.237 39.533 1.00 0.75 N ATOM 422 C2 DC B 14 -2.626 1.421 39.178 1.00 0.69 C ATOM 423 O2 DC B 14 -2.174 2.555 39.026 1.00 0.71 O ATOM 424 N3 DC B 14 -1.848 0.318 39.003 1.00 0.62 N ATOM 425 C4 DC B 14 -2.350 -0.913 39.168 1.00 0.61 C ATOM 426 N4 DC B 14 -1.559 -1.971 38.989 1.00 0.56 N ATOM 427 C5 DC B 14 -3.718 -1.105 39.533 1.00 0.67 C ATOM 428 C6 DC B 14 -4.480 -0.008 39.703 1.00 0.74 C ATOM 0 H5' DC B 14 -7.381 1.483 42.539 1.00 1.04 H new ATOM 0 H5'' DC B 14 -8.624 1.934 41.388 1.00 1.04 H new ATOM 0 H4' DC B 14 -6.946 3.690 41.696 1.00 1.02 H new ATOM 0 H3' DC B 14 -8.054 2.980 39.291 1.00 0.97 H new ATOM 0 H2' DC B 14 -6.354 1.404 38.644 1.00 0.85 H new ATOM 0 H2'' DC B 14 -5.804 2.870 37.857 1.00 0.85 H new ATOM 0 HO5' DC B 14 -7.850 -0.235 41.040 1.00 0.94 H new ATOM 0 H1' DC B 14 -4.140 3.285 39.488 1.00 0.84 H new ATOM 0 H41 DC B 14 -1.931 -2.913 39.112 1.00 0.56 H new ATOM 0 H42 DC B 14 -0.582 -1.839 38.729 1.00 0.56 H new ATOM 0 H5 DC B 14 -4.127 -2.096 39.668 1.00 0.67 H new ATOM 0 H6 DC B 14 -5.519 -0.117 39.977 1.00 0.74 H new ATOM 441 P DG B 15 -6.990 5.238 37.870 1.00 1.00 P ATOM 442 OP1 DG B 15 -7.584 6.591 37.969 1.00 1.51 O ATOM 443 OP2 DG B 15 -7.606 4.226 36.983 1.00 1.77 O ATOM 444 O5' DG B 15 -5.441 5.395 37.457 1.00 0.91 O ATOM 445 C5' DG B 15 -4.660 6.481 37.967 1.00 0.95 C ATOM 446 C4' DG B 15 -3.381 6.686 37.160 1.00 0.88 C ATOM 447 O4' DG B 15 -2.531 5.516 37.236 1.00 0.78 O ATOM 448 C3' DG B 15 -3.704 6.929 35.691 1.00 0.88 C ATOM 449 O3' DG B 15 -2.922 8.028 35.183 1.00 0.91 O ATOM 450 C2' DG B 15 -3.351 5.635 35.011 1.00 0.76 C ATOM 451 C1' DG B 15 -2.337 4.966 35.916 1.00 0.69 C ATOM 452 N9 DG B 15 -2.496 3.500 35.922 1.00 0.61 N ATOM 453 C8 DG B 15 -3.624 2.750 35.964 1.00 0.61 C ATOM 454 N7 DG B 15 -3.488 1.466 35.989 1.00 0.53 N ATOM 455 C5 DG B 15 -2.097 1.326 35.959 1.00 0.47 C ATOM 456 C6 DG B 15 -1.299 0.150 35.966 1.00 0.39 C ATOM 457 O6 DG B 15 -1.666 -1.021 36.010 1.00 0.36 O ATOM 458 N1 DG B 15 0.056 0.453 35.926 1.00 0.38 N ATOM 459 C2 DG B 15 0.585 1.728 35.883 1.00 0.43 C ATOM 460 N2 DG B 15 1.915 1.816 35.840 1.00 0.43 N ATOM 461 N3 DG B 15 -0.158 2.838 35.877 1.00 0.50 N ATOM 462 C4 DG B 15 -1.483 2.567 35.916 1.00 0.52 C ATOM 0 H5' DG B 15 -4.405 6.288 39.009 1.00 0.95 H new ATOM 0 H5'' DG B 15 -5.253 7.396 37.948 1.00 0.95 H new ATOM 0 H4' DG B 15 -2.869 7.551 37.583 1.00 0.88 H new ATOM 0 H3' DG B 15 -4.746 7.200 35.523 1.00 0.88 H new ATOM 0 H2' DG B 15 -4.233 5.008 34.878 1.00 0.76 H new ATOM 0 H2'' DG B 15 -2.935 5.813 34.020 1.00 0.76 H new ATOM 0 H1' DG B 15 -1.325 5.156 35.559 1.00 0.69 H new ATOM 0 H8 DG B 15 -4.601 3.209 35.976 1.00 0.61 H new ATOM 0 H1 DG B 15 0.712 -0.328 35.929 1.00 0.38 H new ATOM 0 H21 DG B 15 2.365 2.731 35.807 1.00 0.43 H new ATOM 0 H22 DG B 15 2.482 0.968 35.840 1.00 0.43 H new ATOM 474 P DC B 16 -2.662 8.243 33.601 1.00 0.90 P ATOM 475 OP1 DC B 16 -2.551 9.697 33.346 1.00 1.76 O ATOM 476 OP2 DC B 16 -3.649 7.438 32.847 1.00 1.40 O ATOM 477 O5' DC B 16 -1.203 7.582 33.392 1.00 0.79 O ATOM 478 C5' DC B 16 -0.068 8.104 34.093 1.00 0.80 C ATOM 479 C4' DC B 16 1.219 7.332 33.785 1.00 0.71 C ATOM 480 O4' DC B 16 1.072 5.910 34.062 1.00 0.62 O ATOM 481 C3' DC B 16 1.614 7.447 32.320 1.00 0.71 C ATOM 482 O3' DC B 16 3.039 7.551 32.180 1.00 0.70 O ATOM 483 C2' DC B 16 1.089 6.176 31.720 1.00 0.64 C ATOM 484 C1' DC B 16 1.249 5.163 32.829 1.00 0.57 C ATOM 485 N1 DC B 16 0.266 4.057 32.728 1.00 0.52 N ATOM 486 C2 DC B 16 0.748 2.757 32.819 1.00 0.43 C ATOM 487 O2 DC B 16 1.954 2.547 32.928 1.00 0.41 O ATOM 488 N3 DC B 16 -0.148 1.732 32.782 1.00 0.38 N ATOM 489 C4 DC B 16 -1.461 1.968 32.660 1.00 0.43 C ATOM 490 N4 DC B 16 -2.311 0.941 32.634 1.00 0.40 N ATOM 491 C5 DC B 16 -1.961 3.303 32.563 1.00 0.53 C ATOM 492 C6 DC B 16 -1.068 4.310 32.596 1.00 0.57 C ATOM 0 H5' DC B 16 -0.260 8.070 35.165 1.00 0.80 H new ATOM 0 H5'' DC B 16 0.069 9.152 33.827 1.00 0.80 H new ATOM 0 H4' DC B 16 1.982 7.776 34.425 1.00 0.71 H new ATOM 0 H3' DC B 16 1.213 8.336 31.833 1.00 0.71 H new ATOM 0 H2' DC B 16 0.047 6.277 31.417 1.00 0.64 H new ATOM 0 H2'' DC B 16 1.653 5.890 30.832 1.00 0.64 H new ATOM 0 H1' DC B 16 2.225 4.681 32.778 1.00 0.57 H new ATOM 0 H41 DC B 16 -3.313 1.110 32.541 1.00 0.40 H new ATOM 0 H42 DC B 16 -1.960 -0.014 32.707 1.00 0.40 H new ATOM 0 H5 DC B 16 -3.019 3.498 32.467 1.00 0.53 H new ATOM 0 H6 DC B 16 -1.412 5.331 32.517 1.00 0.57 H new ATOM 504 P DG B 17 3.741 7.553 30.727 1.00 0.71 P ATOM 505 OP1 DG B 17 4.822 8.565 30.738 1.00 1.65 O ATOM 506 OP2 DG B 17 2.683 7.618 29.694 1.00 1.30 O ATOM 507 O5' DG B 17 4.417 6.092 30.664 1.00 0.62 O ATOM 508 C5' DG B 17 5.586 5.798 31.437 1.00 0.64 C ATOM 509 C4' DG B 17 6.298 4.542 30.936 1.00 0.60 C ATOM 510 O4' DG B 17 5.462 3.373 31.087 1.00 0.54 O ATOM 511 C3' DG B 17 6.643 4.664 29.467 1.00 0.62 C ATOM 512 O3' DG B 17 7.951 4.134 29.204 1.00 0.64 O ATOM 513 C2' DG B 17 5.575 3.880 28.762 1.00 0.57 C ATOM 514 C1' DG B 17 5.083 2.876 29.782 1.00 0.52 C ATOM 515 N9 DG B 17 3.622 2.682 29.691 1.00 0.49 N ATOM 516 C8 DG B 17 2.638 3.595 29.512 1.00 0.52 C ATOM 517 N7 DG B 17 1.419 3.168 29.500 1.00 0.48 N ATOM 518 C5 DG B 17 1.597 1.795 29.690 1.00 0.42 C ATOM 519 C6 DG B 17 0.633 0.757 29.772 1.00 0.37 C ATOM 520 O6 DG B 17 -0.591 0.846 29.700 1.00 0.36 O ATOM 521 N1 DG B 17 1.232 -0.481 29.967 1.00 0.34 N ATOM 522 C2 DG B 17 2.592 -0.699 30.070 1.00 0.36 C ATOM 523 N2 DG B 17 2.978 -1.963 30.248 1.00 0.37 N ATOM 524 N3 DG B 17 3.505 0.273 29.996 1.00 0.40 N ATOM 525 C4 DG B 17 2.944 1.489 29.806 1.00 0.43 C ATOM 0 H5' DG B 17 5.306 5.665 32.482 1.00 0.64 H new ATOM 0 H5'' DG B 17 6.271 6.645 31.396 1.00 0.64 H new ATOM 0 H4' DG B 17 7.204 4.438 31.533 1.00 0.60 H new ATOM 0 H3' DG B 17 6.673 5.700 29.129 1.00 0.62 H new ATOM 0 H2' DG B 17 4.766 4.529 28.426 1.00 0.57 H new ATOM 0 H2'' DG B 17 5.971 3.381 27.878 1.00 0.57 H new ATOM 0 H1' DG B 17 5.532 1.900 29.597 1.00 0.52 H new ATOM 0 H8 DG B 17 2.864 4.643 29.384 1.00 0.52 H new ATOM 0 H1 DG B 17 0.619 -1.293 30.040 1.00 0.34 H new ATOM 0 H21 DG B 17 3.970 -2.187 30.331 1.00 0.37 H new ATOM 0 H22 DG B 17 2.281 -2.706 30.301 1.00 0.37 H new ATOM 537 P DG B 18 8.511 3.998 27.698 1.00 0.66 P ATOM 538 OP1 DG B 18 9.988 4.066 27.746 1.00 1.60 O ATOM 539 OP2 DG B 18 7.758 4.934 26.832 1.00 1.29 O ATOM 540 O5' DG B 18 8.086 2.495 27.303 1.00 0.62 O ATOM 541 C5' DG B 18 8.728 1.373 27.919 1.00 0.63 C ATOM 542 C4' DG B 18 8.260 0.050 27.317 1.00 0.61 C ATOM 543 O4' DG B 18 6.834 -0.146 27.523 1.00 0.57 O ATOM 544 C3' DG B 18 8.498 0.017 25.815 1.00 0.61 C ATOM 545 O3' DG B 18 8.949 -1.287 25.403 1.00 0.62 O ATOM 546 C2' DG B 18 7.153 0.350 25.240 1.00 0.58 C ATOM 547 C1' DG B 18 6.174 -0.215 26.237 1.00 0.55 C ATOM 548 N9 DG B 18 4.897 0.527 26.242 1.00 0.52 N ATOM 549 C8 DG B 18 4.653 1.846 26.040 1.00 0.53 C ATOM 550 N7 DG B 18 3.427 2.245 26.107 1.00 0.51 N ATOM 551 C5 DG B 18 2.754 1.052 26.387 1.00 0.47 C ATOM 552 C6 DG B 18 1.367 0.813 26.580 1.00 0.43 C ATOM 553 O6 DG B 18 0.442 1.622 26.551 1.00 0.42 O ATOM 554 N1 DG B 18 1.113 -0.529 26.838 1.00 0.41 N ATOM 555 C2 DG B 18 2.070 -1.522 26.903 1.00 0.43 C ATOM 556 N2 DG B 18 1.630 -2.754 27.160 1.00 0.43 N ATOM 557 N3 DG B 18 3.375 -1.304 26.723 1.00 0.46 N ATOM 558 C4 DG B 18 3.647 -0.004 26.470 1.00 0.48 C ATOM 0 H5' DG B 18 8.521 1.379 28.989 1.00 0.63 H new ATOM 0 H5'' DG B 18 9.808 1.463 27.803 1.00 0.63 H new ATOM 0 H4' DG B 18 8.831 -0.733 27.815 1.00 0.61 H new ATOM 0 H3' DG B 18 9.272 0.709 25.482 1.00 0.61 H new ATOM 0 H2' DG B 18 7.025 1.426 25.123 1.00 0.58 H new ATOM 0 H2'' DG B 18 7.020 -0.096 24.254 1.00 0.58 H new ATOM 0 H1' DG B 18 5.907 -1.240 25.981 1.00 0.55 H new ATOM 0 H8 DG B 18 5.456 2.538 25.831 1.00 0.53 H new ATOM 0 H1 DG B 18 0.142 -0.802 26.992 1.00 0.41 H new ATOM 0 H21 DG B 18 2.290 -3.529 27.220 1.00 0.43 H new ATOM 0 H22 DG B 18 0.633 -2.921 27.296 1.00 0.43 H new ATOM 570 P DA B 19 8.933 -1.750 23.854 1.00 0.64 P ATOM 571 OP1 DA B 19 10.149 -2.556 23.602 1.00 1.55 O ATOM 572 OP2 DA B 19 8.648 -0.567 23.010 1.00 1.32 O ATOM 573 O5' DA B 19 7.655 -2.733 23.793 1.00 0.63 O ATOM 574 C5' DA B 19 7.582 -3.879 24.650 1.00 0.64 C ATOM 575 C4' DA B 19 6.486 -4.855 24.218 1.00 0.62 C ATOM 576 O4' DA B 19 5.173 -4.284 24.439 1.00 0.58 O ATOM 577 C3' DA B 19 6.590 -5.166 22.735 1.00 0.63 C ATOM 578 O3' DA B 19 6.208 -6.528 22.468 1.00 0.63 O ATOM 579 C2' DA B 19 5.636 -4.195 22.110 1.00 0.60 C ATOM 580 C1' DA B 19 4.572 -3.950 23.166 1.00 0.57 C ATOM 581 N9 DA B 19 4.129 -2.545 23.153 1.00 0.55 N ATOM 582 C8 DA B 19 4.868 -1.426 22.996 1.00 0.57 C ATOM 583 N7 DA B 19 4.254 -0.291 23.035 1.00 0.56 N ATOM 584 C5 DA B 19 2.932 -0.695 23.245 1.00 0.52 C ATOM 585 C6 DA B 19 1.737 0.018 23.388 1.00 0.50 C ATOM 586 N6 DA B 19 1.672 1.348 23.343 1.00 0.51 N ATOM 587 N1 DA B 19 0.612 -0.692 23.583 1.00 0.48 N ATOM 588 C2 DA B 19 0.653 -2.024 23.635 1.00 0.48 C ATOM 589 N3 DA B 19 1.728 -2.801 23.513 1.00 0.50 N ATOM 590 C4 DA B 19 2.845 -2.067 23.318 1.00 0.52 C ATOM 0 H5' DA B 19 7.394 -3.554 25.673 1.00 0.64 H new ATOM 0 H5'' DA B 19 8.544 -4.392 24.650 1.00 0.64 H new ATOM 0 H4' DA B 19 6.619 -5.760 24.810 1.00 0.62 H new ATOM 0 H3' DA B 19 7.603 -5.069 22.345 1.00 0.63 H new ATOM 0 H2' DA B 19 6.140 -3.268 21.836 1.00 0.60 H new ATOM 0 H2'' DA B 19 5.200 -4.602 21.198 1.00 0.60 H new ATOM 0 H1' DA B 19 3.688 -4.559 22.975 1.00 0.57 H new ATOM 0 H8 DA B 19 5.936 -1.479 22.843 1.00 0.57 H new ATOM 0 H61 DA B 19 0.774 1.819 23.453 1.00 0.51 H new ATOM 0 H62 DA B 19 2.520 1.895 23.198 1.00 0.51 H new ATOM 0 H2 DA B 19 -0.289 -2.528 23.793 1.00 0.48 H new ATOM 602 P DC B 20 5.866 -7.036 20.970 1.00 0.64 P ATOM 603 OP1 DC B 20 6.254 -8.461 20.869 1.00 1.56 O ATOM 604 OP2 DC B 20 6.412 -6.055 20.005 1.00 1.33 O ATOM 605 O5' DC B 20 4.253 -6.948 20.919 1.00 0.59 O ATOM 606 C5' DC B 20 3.456 -7.846 21.700 1.00 0.57 C ATOM 607 C4' DC B 20 1.962 -7.738 21.378 1.00 0.55 C ATOM 608 O4' DC B 20 1.469 -6.390 21.585 1.00 0.54 O ATOM 609 C3' DC B 20 1.663 -8.105 19.929 1.00 0.57 C ATOM 610 O3' DC B 20 0.435 -8.850 19.829 1.00 0.57 O ATOM 611 C2' DC B 20 1.552 -6.780 19.238 1.00 0.58 C ATOM 612 C1' DC B 20 1.042 -5.835 20.318 1.00 0.55 C ATOM 613 N1 DC B 20 1.520 -4.437 20.146 1.00 0.55 N ATOM 614 C2 DC B 20 0.577 -3.427 20.303 1.00 0.54 C ATOM 615 O2 DC B 20 -0.598 -3.707 20.532 1.00 0.53 O ATOM 616 N3 DC B 20 0.986 -2.134 20.189 1.00 0.54 N ATOM 617 C4 DC B 20 2.263 -1.835 19.931 1.00 0.55 C ATOM 618 N4 DC B 20 2.628 -0.556 19.833 1.00 0.56 N ATOM 619 C5 DC B 20 3.240 -2.866 19.764 1.00 0.57 C ATOM 620 C6 DC B 20 2.830 -4.145 19.878 1.00 0.57 C ATOM 0 H5' DC B 20 3.612 -7.638 22.759 1.00 0.57 H new ATOM 0 H5'' DC B 20 3.789 -8.869 21.524 1.00 0.57 H new ATOM 0 H4' DC B 20 1.466 -8.436 22.053 1.00 0.55 H new ATOM 0 H3' DC B 20 2.430 -8.742 19.488 1.00 0.57 H new ATOM 0 H2' DC B 20 2.515 -6.454 18.846 1.00 0.58 H new ATOM 0 H2'' DC B 20 0.864 -6.828 18.394 1.00 0.58 H new ATOM 0 H1' DC B 20 -0.044 -5.762 20.260 1.00 0.55 H new ATOM 0 H41 DC B 20 3.600 -0.317 19.636 1.00 0.56 H new ATOM 0 H42 DC B 20 1.935 0.183 19.955 1.00 0.56 H new ATOM 0 H5 DC B 20 4.272 -2.628 19.554 1.00 0.57 H new ATOM 0 H6 DC B 20 3.542 -4.948 19.757 1.00 0.57 H new ATOM 632 P DA B 21 -0.292 -9.102 18.404 1.00 0.60 P ATOM 633 OP1 DA B 21 -1.002 -10.399 18.472 1.00 1.81 O ATOM 634 OP2 DA B 21 0.695 -8.861 17.327 1.00 0.97 O ATOM 635 O5' DA B 21 -1.398 -7.925 18.345 1.00 0.45 O ATOM 636 C5' DA B 21 -2.464 -7.888 19.301 1.00 0.51 C ATOM 637 C4' DA B 21 -3.671 -7.081 18.810 1.00 0.50 C ATOM 638 O4' DA B 21 -3.391 -5.659 18.832 1.00 0.48 O ATOM 639 C3' DA B 21 -4.039 -7.442 17.380 1.00 0.48 C ATOM 640 O3' DA B 21 -5.468 -7.445 17.202 1.00 0.49 O ATOM 641 C2' DA B 21 -3.389 -6.363 16.564 1.00 0.46 C ATOM 642 C1' DA B 21 -3.346 -5.152 17.478 1.00 0.47 C ATOM 643 N9 DA B 21 -2.120 -4.368 17.263 1.00 0.47 N ATOM 644 C8 DA B 21 -0.853 -4.799 17.097 1.00 0.48 C ATOM 645 N7 DA B 21 0.071 -3.908 16.960 1.00 0.49 N ATOM 646 C5 DA B 21 -0.670 -2.725 17.043 1.00 0.48 C ATOM 647 C6 DA B 21 -0.309 -1.378 16.976 1.00 0.49 C ATOM 648 N6 DA B 21 0.948 -0.969 16.807 1.00 0.50 N ATOM 649 N1 DA B 21 -1.292 -0.468 17.093 1.00 0.48 N ATOM 650 C2 DA B 21 -2.557 -0.858 17.267 1.00 0.47 C ATOM 651 N3 DA B 21 -3.008 -2.105 17.346 1.00 0.46 N ATOM 652 C4 DA B 21 -2.006 -2.997 17.226 1.00 0.47 C ATOM 0 H5' DA B 21 -2.097 -7.455 20.232 1.00 0.51 H new ATOM 0 H5'' DA B 21 -2.780 -8.907 19.526 1.00 0.51 H new ATOM 0 H4' DA B 21 -4.493 -7.323 19.484 1.00 0.50 H new ATOM 0 H3' DA B 21 -3.707 -8.440 17.094 1.00 0.48 H new ATOM 0 H2' DA B 21 -2.387 -6.656 16.249 1.00 0.46 H new ATOM 0 H2'' DA B 21 -3.960 -6.155 15.659 1.00 0.46 H new ATOM 0 H1' DA B 21 -4.184 -4.486 17.275 1.00 0.47 H new ATOM 0 H8 DA B 21 -0.619 -5.853 17.079 1.00 0.48 H new ATOM 0 H61 DA B 21 1.159 0.028 16.765 1.00 0.50 H new ATOM 0 H62 DA B 21 1.700 -1.653 16.720 1.00 0.50 H new ATOM 0 H2 DA B 21 -3.294 -0.074 17.353 1.00 0.47 H new ATOM 664 P DC B 22 -6.140 -7.347 15.735 1.00 0.49 P ATOM 665 OP1 DC B 22 -7.545 -7.803 15.840 1.00 1.55 O ATOM 666 OP2 DC B 22 -5.229 -7.991 14.761 1.00 1.16 O ATOM 667 O5' DC B 22 -6.145 -5.757 15.446 1.00 0.48 O ATOM 668 C5' DC B 22 -7.042 -4.895 16.156 1.00 0.50 C ATOM 669 C4' DC B 22 -7.041 -3.465 15.605 1.00 0.49 C ATOM 670 O4' DC B 22 -5.722 -2.857 15.696 1.00 0.51 O ATOM 671 C3' DC B 22 -7.454 -3.422 14.135 1.00 0.43 C ATOM 672 O3' DC B 22 -8.407 -2.369 13.903 1.00 0.43 O ATOM 673 C2' DC B 22 -6.165 -3.167 13.406 1.00 0.42 C ATOM 674 C1' DC B 22 -5.345 -2.360 14.391 1.00 0.46 C ATOM 675 N1 DC B 22 -3.881 -2.480 14.164 1.00 0.47 N ATOM 676 C2 DC B 22 -3.147 -1.300 14.115 1.00 0.48 C ATOM 677 O2 DC B 22 -3.713 -0.212 14.204 1.00 0.49 O ATOM 678 N3 DC B 22 -1.797 -1.385 13.960 1.00 0.49 N ATOM 679 C4 DC B 22 -1.187 -2.572 13.856 1.00 0.49 C ATOM 680 N4 DC B 22 0.138 -2.616 13.714 1.00 0.51 N ATOM 681 C5 DC B 22 -1.937 -3.789 13.900 1.00 0.49 C ATOM 682 C6 DC B 22 -3.272 -3.698 14.051 1.00 0.48 C ATOM 0 H5' DC B 22 -6.764 -4.875 17.210 1.00 0.50 H new ATOM 0 H5'' DC B 22 -8.052 -5.302 16.100 1.00 0.50 H new ATOM 0 H4' DC B 22 -7.758 -2.915 16.215 1.00 0.49 H new ATOM 0 H3' DC B 22 -7.943 -4.338 13.804 1.00 0.43 H new ATOM 0 H2' DC B 22 -5.666 -4.098 13.139 1.00 0.42 H new ATOM 0 H2'' DC B 22 -6.332 -2.617 12.480 1.00 0.42 H new ATOM 0 H1' DC B 22 -5.549 -1.295 14.281 1.00 0.46 H new ATOM 0 H41 DC B 22 0.613 -3.515 13.634 1.00 0.51 H new ATOM 0 H42 DC B 22 0.677 -1.750 13.685 1.00 0.51 H new ATOM 0 H5 DC B 22 -1.449 -4.749 13.815 1.00 0.49 H new ATOM 0 H6 DC B 22 -3.868 -4.598 14.083 1.00 0.48 H new ATOM 694 P DC B 23 -8.826 -1.916 12.409 1.00 0.39 P ATOM 695 OP1 DC B 23 -10.277 -1.623 12.406 1.00 1.50 O ATOM 696 OP2 DC B 23 -8.273 -2.897 11.448 1.00 1.16 O ATOM 697 O5' DC B 23 -8.029 -0.524 12.221 1.00 0.34 O ATOM 698 C5' DC B 23 -8.435 0.648 12.939 1.00 0.39 C ATOM 699 C4' DC B 23 -7.766 1.918 12.403 1.00 0.41 C ATOM 700 O4' DC B 23 -6.315 1.833 12.481 1.00 0.41 O ATOM 701 C3' DC B 23 -8.102 2.155 10.940 1.00 0.36 C ATOM 702 O3' DC B 23 -8.255 3.556 10.661 1.00 0.44 O ATOM 703 C2' DC B 23 -6.922 1.577 10.219 1.00 0.29 C ATOM 704 C1' DC B 23 -5.762 1.855 11.138 1.00 0.34 C ATOM 705 N1 DC B 23 -4.677 0.855 10.987 1.00 0.31 N ATOM 706 C2 DC B 23 -3.383 1.329 10.806 1.00 0.34 C ATOM 707 O2 DC B 23 -3.164 2.538 10.749 1.00 0.38 O ATOM 708 N3 DC B 23 -2.375 0.421 10.688 1.00 0.34 N ATOM 709 C4 DC B 23 -2.621 -0.894 10.744 1.00 0.33 C ATOM 710 N4 DC B 23 -1.610 -1.755 10.628 1.00 0.37 N ATOM 711 C5 DC B 23 -3.949 -1.386 10.928 1.00 0.31 C ATOM 712 C6 DC B 23 -4.940 -0.483 11.044 1.00 0.29 C ATOM 0 H5' DC B 23 -8.190 0.528 13.994 1.00 0.39 H new ATOM 0 H5'' DC B 23 -9.518 0.755 12.874 1.00 0.39 H new ATOM 0 H4' DC B 23 -8.143 2.730 13.024 1.00 0.41 H new ATOM 0 H3' DC B 23 -9.046 1.701 10.639 1.00 0.36 H new ATOM 0 H2' DC B 23 -7.045 0.508 10.044 1.00 0.29 H new ATOM 0 H2'' DC B 23 -6.781 2.045 9.245 1.00 0.29 H new ATOM 0 H1' DC B 23 -5.301 2.815 10.905 1.00 0.34 H new ATOM 0 H41 DC B 23 -1.788 -2.759 10.669 1.00 0.37 H new ATOM 0 H42 DC B 23 -0.659 -1.410 10.498 1.00 0.37 H new ATOM 0 H5 DC B 23 -4.151 -2.446 10.973 1.00 0.31 H new ATOM 0 H6 DC B 23 -5.956 -0.821 11.184 1.00 0.29 H new ATOM 724 P DG B 24 -8.431 4.090 9.148 1.00 0.45 P ATOM 725 OP1 DG B 24 -9.348 5.252 9.173 1.00 1.24 O ATOM 726 OP2 DG B 24 -8.732 2.934 8.274 1.00 1.49 O ATOM 727 O5' DG B 24 -6.951 4.620 8.787 1.00 0.42 O ATOM 728 C5' DG B 24 -6.534 5.929 9.191 1.00 0.53 C ATOM 729 C4' DG B 24 -5.350 6.432 8.368 1.00 0.56 C ATOM 730 O4' DG B 24 -4.197 5.577 8.553 1.00 0.47 O ATOM 731 C3' DG B 24 -5.690 6.446 6.883 1.00 0.60 C ATOM 732 O3' DG B 24 -5.309 7.697 6.281 1.00 0.72 O ATOM 733 C2' DG B 24 -4.907 5.305 6.300 1.00 0.50 C ATOM 734 C1' DG B 24 -3.799 5.011 7.288 1.00 0.42 C ATOM 735 N9 DG B 24 -3.564 3.563 7.408 1.00 0.31 N ATOM 736 C8 DG B 24 -4.457 2.554 7.523 1.00 0.27 C ATOM 737 N7 DG B 24 -3.992 1.354 7.639 1.00 0.26 N ATOM 738 C5 DG B 24 -2.612 1.579 7.594 1.00 0.27 C ATOM 739 C6 DG B 24 -1.535 0.657 7.671 1.00 0.31 C ATOM 740 O6 DG B 24 -1.583 -0.563 7.806 1.00 0.39 O ATOM 741 N1 DG B 24 -0.306 1.300 7.584 1.00 0.33 N ATOM 742 C2 DG B 24 -0.129 2.662 7.441 1.00 0.33 C ATOM 743 N2 DG B 24 1.131 3.092 7.372 1.00 0.38 N ATOM 744 N3 DG B 24 -1.137 3.534 7.369 1.00 0.34 N ATOM 745 C4 DG B 24 -2.344 2.931 7.452 1.00 0.29 C ATOM 0 H5' DG B 24 -6.261 5.913 10.246 1.00 0.53 H new ATOM 0 H5'' DG B 24 -7.368 6.623 9.088 1.00 0.53 H new ATOM 0 H4' DG B 24 -5.126 7.443 8.710 1.00 0.56 H new ATOM 0 H3' DG B 24 -6.760 6.340 6.705 1.00 0.60 H new ATOM 0 H2' DG B 24 -5.542 4.431 6.154 1.00 0.50 H new ATOM 0 H2'' DG B 24 -4.500 5.570 5.324 1.00 0.50 H new ATOM 0 H1' DG B 24 -2.861 5.450 6.950 1.00 0.42 H new ATOM 0 H8 DG B 24 -5.520 2.744 7.518 1.00 0.27 H new ATOM 0 H1 DG B 24 0.532 0.720 7.629 1.00 0.33 H new ATOM 0 H21 DG B 24 1.325 4.088 7.266 1.00 0.38 H new ATOM 0 H22 DG B 24 1.901 2.425 7.425 1.00 0.38 H new ATOM 757 P DC B 25 -5.213 7.873 4.674 1.00 0.80 P ATOM 758 OP1 DC B 25 -5.508 9.285 4.346 1.00 1.17 O ATOM 759 OP2 DC B 25 -5.998 6.791 4.037 1.00 1.83 O ATOM 760 O5' DC B 25 -3.648 7.602 4.375 1.00 0.77 O ATOM 761 C5' DC B 25 -2.661 8.549 4.800 1.00 0.85 C ATOM 762 C4' DC B 25 -1.232 8.103 4.477 1.00 0.83 C ATOM 763 O4' DC B 25 -0.988 6.737 4.914 1.00 0.68 O ATOM 764 C3' DC B 25 -0.945 8.130 2.984 1.00 0.89 C ATOM 765 O3' DC B 25 0.404 8.547 2.724 1.00 0.95 O ATOM 766 C2' DC B 25 -1.169 6.711 2.561 1.00 0.78 C ATOM 767 C1' DC B 25 -0.724 5.904 3.754 1.00 0.65 C ATOM 768 N1 DC B 25 -1.427 4.601 3.866 1.00 0.54 N ATOM 769 C2 DC B 25 -0.656 3.485 4.173 1.00 0.45 C ATOM 770 O2 DC B 25 0.564 3.585 4.284 1.00 0.46 O ATOM 771 N3 DC B 25 -1.285 2.290 4.341 1.00 0.40 N ATOM 772 C4 DC B 25 -2.614 2.186 4.215 1.00 0.43 C ATOM 773 N4 DC B 25 -3.197 1.000 4.392 1.00 0.44 N ATOM 774 C5 DC B 25 -3.413 3.328 3.897 1.00 0.49 C ATOM 775 C6 DC B 25 -2.784 4.508 3.728 1.00 0.55 C ATOM 0 H5' DC B 25 -2.754 8.706 5.875 1.00 0.85 H new ATOM 0 H5'' DC B 25 -2.854 9.508 4.320 1.00 0.85 H new ATOM 0 H4' DC B 25 -0.587 8.807 5.003 1.00 0.83 H new ATOM 0 H3' DC B 25 -1.574 8.836 2.442 1.00 0.89 H new ATOM 0 H2' DC B 25 -2.216 6.526 2.321 1.00 0.78 H new ATOM 0 H2'' DC B 25 -0.590 6.463 1.672 1.00 0.78 H new ATOM 0 H1' DC B 25 0.331 5.647 3.662 1.00 0.65 H new ATOM 0 H41 DC B 25 -4.209 0.910 4.298 1.00 0.44 H new ATOM 0 H42 DC B 25 -2.631 0.183 4.621 1.00 0.44 H new ATOM 0 H5 DC B 25 -4.485 3.248 3.796 1.00 0.49 H new ATOM 0 H6 DC B 25 -3.358 5.389 3.481 1.00 0.55 H new ATOM 787 P DG B 26 0.934 8.762 1.214 1.00 1.05 P ATOM 788 OP1 DG B 26 1.534 10.112 1.123 1.00 2.03 O ATOM 789 OP2 DG B 26 -0.145 8.371 0.278 1.00 1.29 O ATOM 790 O5' DG B 26 2.117 7.674 1.097 1.00 0.98 O ATOM 791 C5' DG B 26 3.385 7.904 1.723 1.00 1.00 C ATOM 792 C4' DG B 26 4.393 6.804 1.389 1.00 0.95 C ATOM 793 O4' DG B 26 3.909 5.505 1.819 1.00 0.82 O ATOM 794 C3' DG B 26 4.622 6.701 -0.109 1.00 1.02 C ATOM 795 O3' DG B 26 5.965 6.298 -0.396 1.00 1.04 O ATOM 796 C2' DG B 26 3.643 5.649 -0.537 1.00 0.96 C ATOM 797 C1' DG B 26 3.551 4.714 0.655 1.00 0.82 C ATOM 798 N9 DG B 26 2.192 4.156 0.797 1.00 0.76 N ATOM 799 C8 DG B 26 0.991 4.780 0.729 1.00 0.82 C ATOM 800 N7 DG B 26 -0.068 4.066 0.913 1.00 0.77 N ATOM 801 C5 DG B 26 0.479 2.799 1.133 1.00 0.68 C ATOM 802 C6 DG B 26 -0.169 1.565 1.400 1.00 0.65 C ATOM 803 O6 DG B 26 -1.374 1.345 1.504 1.00 0.67 O ATOM 804 N1 DG B 26 0.746 0.532 1.557 1.00 0.63 N ATOM 805 C2 DG B 26 2.118 0.665 1.470 1.00 0.62 C ATOM 806 N2 DG B 26 2.833 -0.447 1.651 1.00 0.65 N ATOM 807 N3 DG B 26 2.736 1.824 1.220 1.00 0.63 N ATOM 808 C4 DG B 26 1.863 2.845 1.063 1.00 0.68 C ATOM 0 H5' DG B 26 3.252 7.959 2.803 1.00 1.00 H new ATOM 0 H5'' DG B 26 3.779 8.868 1.401 1.00 1.00 H new ATOM 0 H4' DG B 26 5.315 7.071 1.905 1.00 0.95 H new ATOM 0 H3' DG B 26 4.482 7.650 -0.627 1.00 1.02 H new ATOM 0 H2' DG B 26 2.673 6.083 -0.778 1.00 0.96 H new ATOM 0 H2'' DG B 26 3.987 5.124 -1.428 1.00 0.96 H new ATOM 0 HO3' DG B 26 6.088 6.237 -1.366 1.00 1.04 H new ATOM 0 H1' DG B 26 4.219 3.862 0.533 1.00 0.82 H new ATOM 0 H8 DG B 26 0.923 5.839 0.528 1.00 0.82 H new ATOM 0 H1 DG B 26 0.376 -0.398 1.752 1.00 0.63 H new ATOM 0 H21 DG B 26 3.851 -0.413 1.599 1.00 0.65 H new ATOM 0 H22 DG B 26 2.361 -1.331 1.842 1.00 0.65 H new TER 821 DG B 26 END