USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 147 hydrogens (0 hets) HEADER DNA 28-MAR-02 1LA8 TITLE SOLUTION STRUCTURE OF THE DNA HAIRPIN 13-MER 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 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. KEYWDS DNA, HAIRPIN, THREE BASE LOOP EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE REVDAT 2 24-FEB-09 1LA8 1 VERSN REVDAT 1 17-APR-02 1LA8 0 JRNL AUTH J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE JRNL TITL STRUCTURE OF THE 1,N(2)-PROPANODEOXYGUANOSINE JRNL TITL 2 ADDUCT IN A THREE-BASE DNA HAIRPIN LOOP DERIVED JRNL TITL 3 FROM A PALINDROME IN THE SALMONELLA TYPHIMURIUM JRNL TITL 4 HISD3052 GENE. JRNL REF CHEM.RES.TOXICOL. V. 15 140 2002 JRNL REFN ISSN 0893-228X JRNL PMID 11849039 JRNL DOI 10.1021/TX010107F 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 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LA8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-MAR-02. REMARK 100 THE RCSB ID CODE IS RCSB015790. 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, 10 MM SODIUM REMARK 210 PHOSPHATE, 100 MM NACL, 50 UM REMARK 210 EDTA; 1.8 MM DNA, 1 MM SODIUM REMARK 210 PHOSPHATE, 100 MM NACL, 50 UM REMARK 210 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. = 3.7 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 5.3 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 DG A 7 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 7 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LAE RELATED DB: PDB REMARK 900 1LAE IS THE SOLUTION STRUCTURE OF THE 13-MER DNA HAIRPIN REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANODEOXYGUANOSINE ADDUCT. REMARK 900 RELATED ID: 1LAI RELATED DB: PDB REMARK 900 1LAI IS THE SOLUTION STRUCTURE OF THE B-DNA DUPLEX REMARK 900 CGCGGTGTCCGCG. 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 1LA8 A 1 13 PDB 1LA8 1LA8 1 13 SEQRES 1 A 13 DC DG DC DG DG DT DG DT 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= -0.076 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.00714) USER MOD Single : A 13 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -2.747 -16.786 12.361 1.00 0.29 O ATOM 2 C5' DC A 1 -1.561 -17.470 11.945 1.00 0.29 C ATOM 3 C4' DC A 1 -0.453 -16.491 11.562 1.00 0.24 C ATOM 4 O4' DC A 1 -0.885 -15.612 10.487 1.00 0.24 O ATOM 5 C3' DC A 1 -0.077 -15.600 12.739 1.00 0.19 C ATOM 6 O3' DC A 1 1.341 -15.382 12.799 1.00 0.17 O ATOM 7 C2' DC A 1 -0.805 -14.321 12.463 1.00 0.16 C ATOM 8 C1' DC A 1 -0.863 -14.242 10.955 1.00 0.18 C ATOM 9 N1 DC A 1 -2.052 -13.485 10.507 1.00 0.19 N ATOM 10 C2 DC A 1 -1.831 -12.276 9.863 1.00 0.19 C ATOM 11 O2 DC A 1 -0.683 -11.876 9.672 1.00 0.19 O ATOM 12 N3 DC A 1 -2.910 -11.552 9.461 1.00 0.21 N ATOM 13 C4 DC A 1 -4.156 -11.992 9.681 1.00 0.23 C ATOM 14 N4 DC A 1 -5.191 -11.254 9.275 1.00 0.25 N ATOM 15 C5 DC A 1 -4.390 -13.239 10.343 1.00 0.24 C ATOM 16 C6 DC A 1 -3.315 -13.951 10.737 1.00 0.22 C ATOM 0 H5' DC A 1 -1.790 -18.112 11.095 1.00 0.29 H new ATOM 0 H5'' DC A 1 -1.213 -18.118 12.749 1.00 0.29 H new ATOM 0 H4' DC A 1 0.400 -17.094 11.250 1.00 0.24 H new ATOM 0 H3' DC A 1 -0.344 -16.042 13.699 1.00 0.19 H new ATOM 0 H2' DC A 1 -1.804 -14.330 12.900 1.00 0.16 H new ATOM 0 H2'' DC A 1 -0.280 -13.465 12.886 1.00 0.16 H new ATOM 0 HO5' DC A 1 -3.437 -17.441 12.597 1.00 0.29 H new ATOM 0 H1' DC A 1 -0.005 -13.707 10.547 1.00 0.18 H new ATOM 0 H41 DC A 1 -6.144 -11.579 9.437 1.00 0.25 H new ATOM 0 H42 DC A 1 -5.029 -10.365 8.802 1.00 0.25 H new ATOM 0 H5 DC A 1 -5.393 -13.597 10.521 1.00 0.24 H new ATOM 0 H6 DC A 1 -3.454 -14.897 11.238 1.00 0.22 H new ATOM 29 P DG A 2 2.049 -14.898 14.167 1.00 0.17 P ATOM 30 OP1 DG A 2 3.039 -15.925 14.562 1.00 0.20 O ATOM 31 OP2 DG A 2 0.992 -14.490 15.120 1.00 0.18 O ATOM 32 O5' DG A 2 2.848 -13.574 13.708 1.00 0.12 O ATOM 33 C5' DG A 2 4.003 -13.674 12.866 1.00 0.12 C ATOM 34 C4' DG A 2 4.515 -12.297 12.436 1.00 0.10 C ATOM 35 O4' DG A 2 3.493 -11.584 11.692 1.00 0.09 O ATOM 36 C3' DG A 2 4.856 -11.427 13.636 1.00 0.11 C ATOM 37 O3' DG A 2 5.969 -10.566 13.360 1.00 0.11 O ATOM 38 C2' DG A 2 3.619 -10.630 13.850 1.00 0.11 C ATOM 39 C1' DG A 2 3.046 -10.446 12.471 1.00 0.09 C ATOM 40 N9 DG A 2 1.578 -10.379 12.527 1.00 0.09 N ATOM 41 C8 DG A 2 0.716 -11.142 13.238 1.00 0.10 C ATOM 42 N7 DG A 2 -0.543 -10.878 13.136 1.00 0.09 N ATOM 43 C5 DG A 2 -0.535 -9.799 12.246 1.00 0.09 C ATOM 44 C6 DG A 2 -1.617 -9.044 11.726 1.00 0.10 C ATOM 45 O6 DG A 2 -2.817 -9.180 11.948 1.00 0.10 O ATOM 46 N1 DG A 2 -1.176 -8.047 10.864 1.00 0.11 N ATOM 47 C2 DG A 2 0.143 -7.803 10.538 1.00 0.11 C ATOM 48 N2 DG A 2 0.369 -6.798 9.691 1.00 0.12 N ATOM 49 N3 DG A 2 1.169 -8.511 11.024 1.00 0.09 N ATOM 50 C4 DG A 2 0.762 -9.487 11.867 1.00 0.09 C ATOM 0 H5' DG A 2 3.758 -14.263 11.982 1.00 0.12 H new ATOM 0 H5'' DG A 2 4.793 -14.207 13.395 1.00 0.12 H new ATOM 0 H4' DG A 2 5.402 -12.475 11.829 1.00 0.10 H new ATOM 0 H3' DG A 2 5.147 -12.014 14.507 1.00 0.11 H new ATOM 0 H2' DG A 2 2.920 -11.151 14.504 1.00 0.11 H new ATOM 0 H2'' DG A 2 3.841 -9.671 14.319 1.00 0.11 H new ATOM 0 H1' DG A 2 3.381 -9.512 12.019 1.00 0.09 H new ATOM 0 H8 DG A 2 1.069 -11.944 13.869 1.00 0.10 H new ATOM 0 H1 DG A 2 -1.883 -7.448 10.438 1.00 0.11 H new ATOM 0 H21 DG A 2 1.324 -6.570 9.413 1.00 0.12 H new ATOM 0 H22 DG A 2 -0.413 -6.257 9.321 1.00 0.12 H new ATOM 62 P DC A 3 6.673 -9.717 14.538 1.00 0.13 P ATOM 63 OP1 DC A 3 8.140 -9.808 14.362 1.00 0.14 O ATOM 64 OP2 DC A 3 6.059 -10.104 15.829 1.00 0.15 O ATOM 65 O5' DC A 3 6.214 -8.207 14.194 1.00 0.12 O ATOM 66 C5' DC A 3 6.643 -7.591 12.975 1.00 0.11 C ATOM 67 C4' DC A 3 6.081 -6.178 12.791 1.00 0.11 C ATOM 68 O4' DC A 3 4.640 -6.190 12.618 1.00 0.12 O ATOM 69 C3' DC A 3 6.377 -5.278 13.985 1.00 0.10 C ATOM 70 O3' DC A 3 6.887 -4.009 13.580 1.00 0.10 O ATOM 71 C2' DC A 3 5.068 -5.102 14.674 1.00 0.11 C ATOM 72 C1' DC A 3 4.028 -5.317 13.600 1.00 0.11 C ATOM 73 N1 DC A 3 2.809 -5.927 14.164 1.00 0.11 N ATOM 74 C2 DC A 3 1.580 -5.349 13.871 1.00 0.11 C ATOM 75 O2 DC A 3 1.514 -4.346 13.162 1.00 0.12 O ATOM 76 N3 DC A 3 0.460 -5.924 14.394 1.00 0.12 N ATOM 77 C4 DC A 3 0.544 -7.015 15.169 1.00 0.11 C ATOM 78 N4 DC A 3 -0.570 -7.555 15.665 1.00 0.11 N ATOM 79 C5 DC A 3 1.811 -7.606 15.470 1.00 0.11 C ATOM 80 C6 DC A 3 2.907 -7.029 14.948 1.00 0.11 C ATOM 0 H5' DC A 3 6.336 -8.211 12.133 1.00 0.11 H new ATOM 0 H5'' DC A 3 7.732 -7.548 12.959 1.00 0.11 H new ATOM 0 H4' DC A 3 6.572 -5.791 11.898 1.00 0.11 H new ATOM 0 H3' DC A 3 7.137 -5.722 14.628 1.00 0.10 H new ATOM 0 H2' DC A 3 4.950 -5.819 15.486 1.00 0.11 H new ATOM 0 H2'' DC A 3 4.983 -4.107 15.112 1.00 0.11 H new ATOM 0 H1' DC A 3 3.721 -4.373 13.150 1.00 0.11 H new ATOM 0 H41 DC A 3 -0.515 -8.385 16.255 1.00 0.11 H new ATOM 0 H42 DC A 3 -1.477 -7.138 15.454 1.00 0.11 H new ATOM 0 H5 DC A 3 1.885 -8.484 16.094 1.00 0.11 H new ATOM 0 H6 DC A 3 3.880 -7.449 15.156 1.00 0.11 H new ATOM 92 P DG A 4 7.629 -3.045 14.637 1.00 0.09 P ATOM 93 OP1 DG A 4 8.924 -2.625 14.056 1.00 0.09 O ATOM 94 OP2 DG A 4 7.587 -3.684 15.972 1.00 0.09 O ATOM 95 O5' DG A 4 6.641 -1.772 14.652 1.00 0.10 O ATOM 96 C5' DG A 4 6.013 -1.349 13.437 1.00 0.10 C ATOM 97 C4' DG A 4 4.838 -0.400 13.671 1.00 0.11 C ATOM 98 O4' DG A 4 3.638 -1.146 13.981 1.00 0.12 O ATOM 99 C3' DG A 4 5.096 0.557 14.825 1.00 0.10 C ATOM 100 O3' DG A 4 4.670 1.888 14.461 1.00 0.11 O ATOM 101 C2' DG A 4 4.285 -0.006 15.948 1.00 0.08 C ATOM 102 C1' DG A 4 3.151 -0.750 15.275 1.00 0.10 C ATOM 103 N9 DG A 4 2.720 -1.917 16.058 1.00 0.09 N ATOM 104 C8 DG A 4 3.451 -2.785 16.794 1.00 0.09 C ATOM 105 N7 DG A 4 2.819 -3.742 17.391 1.00 0.09 N ATOM 106 C5 DG A 4 1.495 -3.488 17.011 1.00 0.10 C ATOM 107 C6 DG A 4 0.297 -4.182 17.339 1.00 0.11 C ATOM 108 O6 DG A 4 0.159 -5.181 18.040 1.00 0.12 O ATOM 109 N1 DG A 4 -0.813 -3.587 16.752 1.00 0.12 N ATOM 110 C2 DG A 4 -0.783 -2.467 15.946 1.00 0.11 C ATOM 111 N2 DG A 4 -1.955 -2.040 15.479 1.00 0.12 N ATOM 112 N3 DG A 4 0.336 -1.813 15.632 1.00 0.10 N ATOM 113 C4 DG A 4 1.431 -2.371 16.195 1.00 0.09 C ATOM 0 H5' DG A 4 5.662 -2.225 12.892 1.00 0.10 H new ATOM 0 H5'' DG A 4 6.752 -0.855 12.806 1.00 0.10 H new ATOM 0 H4' DG A 4 4.716 0.170 12.750 1.00 0.11 H new ATOM 0 H3' DG A 4 6.148 0.645 15.096 1.00 0.10 H new ATOM 0 H2' DG A 4 4.881 -0.674 16.570 1.00 0.08 H new ATOM 0 H2'' DG A 4 3.909 0.784 16.598 1.00 0.08 H new ATOM 0 H1' DG A 4 2.272 -0.111 15.189 1.00 0.10 H new ATOM 0 H8 DG A 4 4.523 -2.682 16.880 1.00 0.09 H new ATOM 0 H1 DG A 4 -1.723 -4.012 16.931 1.00 0.12 H new ATOM 0 H21 DG A 4 -1.995 -1.217 14.878 1.00 0.12 H new ATOM 0 H22 DG A 4 -2.812 -2.536 15.722 1.00 0.12 H new ATOM 125 P DG A 5 5.136 3.205 15.278 1.00 0.11 P ATOM 126 OP1 DG A 5 6.002 4.015 14.391 1.00 0.13 O ATOM 127 OP2 DG A 5 5.636 2.777 16.604 1.00 0.09 O ATOM 128 O5' DG A 5 3.742 4.005 15.499 1.00 0.12 O ATOM 129 C5' DG A 5 3.201 4.788 14.420 1.00 0.15 C ATOM 130 C4' DG A 5 1.720 5.187 14.613 1.00 0.16 C ATOM 131 O4' DG A 5 0.833 4.030 14.606 1.00 0.15 O ATOM 132 C3' DG A 5 1.434 5.959 15.896 1.00 0.15 C ATOM 133 O3' DG A 5 0.752 7.173 15.591 1.00 0.18 O ATOM 134 C2' DG A 5 0.565 5.074 16.740 1.00 0.13 C ATOM 135 C1' DG A 5 0.155 3.897 15.892 1.00 0.13 C ATOM 136 N9 DG A 5 0.550 2.649 16.553 1.00 0.10 N ATOM 137 C8 DG A 5 1.786 2.193 16.753 1.00 0.10 C ATOM 138 N7 DG A 5 1.933 1.076 17.378 1.00 0.10 N ATOM 139 C5 DG A 5 0.607 0.727 17.639 1.00 0.09 C ATOM 140 C6 DG A 5 0.087 -0.408 18.308 1.00 0.09 C ATOM 141 O6 DG A 5 0.705 -1.342 18.813 1.00 0.10 O ATOM 142 N1 DG A 5 -1.299 -0.380 18.359 1.00 0.09 N ATOM 143 C2 DG A 5 -2.095 0.618 17.832 1.00 0.09 C ATOM 144 N2 DG A 5 -3.410 0.469 18.002 1.00 0.11 N ATOM 145 N3 DG A 5 -1.612 1.697 17.196 1.00 0.10 N ATOM 146 C4 DG A 5 -0.258 1.688 17.135 1.00 0.09 C ATOM 0 H5' DG A 5 3.297 4.224 13.492 1.00 0.15 H new ATOM 0 H5'' DG A 5 3.798 5.693 14.306 1.00 0.15 H new ATOM 0 H4' DG A 5 1.526 5.839 13.761 1.00 0.16 H new ATOM 0 H3' DG A 5 2.355 6.218 16.418 1.00 0.15 H new ATOM 0 H2' DG A 5 1.105 4.739 17.625 1.00 0.13 H new ATOM 0 H2'' DG A 5 -0.312 5.619 17.089 1.00 0.13 H new ATOM 0 H1' DG A 5 -0.925 3.875 15.750 1.00 0.13 H new ATOM 0 H8 DG A 5 2.644 2.746 16.400 1.00 0.10 H new ATOM 0 H1 DG A 5 -1.767 -1.158 18.823 1.00 0.09 H new ATOM 0 H21 DG A 5 -4.054 1.171 17.637 1.00 0.11 H new ATOM 0 H22 DG A 5 -3.771 -0.346 18.497 1.00 0.11 H new ATOM 158 P DT A 6 0.701 8.375 16.650 1.00 0.20 P ATOM 159 OP1 DT A 6 0.895 9.647 15.918 1.00 0.24 O ATOM 160 OP2 DT A 6 1.579 8.037 17.793 1.00 0.19 O ATOM 161 O5' DT A 6 -0.830 8.295 17.145 1.00 0.20 O ATOM 162 C5' DT A 6 -1.629 9.474 17.195 1.00 0.26 C ATOM 163 C4' DT A 6 -3.110 9.197 16.957 1.00 0.28 C ATOM 164 O4' DT A 6 -3.403 8.955 15.555 1.00 0.30 O ATOM 165 C3' DT A 6 -3.601 7.973 17.720 1.00 0.21 C ATOM 166 O3' DT A 6 -4.801 8.247 18.449 1.00 0.24 O ATOM 167 C2' DT A 6 -3.872 6.959 16.662 1.00 0.20 C ATOM 168 C1' DT A 6 -4.261 7.801 15.485 1.00 0.27 C ATOM 169 N1 DT A 6 -4.120 7.060 14.229 1.00 0.30 N ATOM 170 C2 DT A 6 -5.237 6.954 13.419 1.00 0.39 C ATOM 171 O2 DT A 6 -6.289 7.540 13.669 1.00 0.42 O ATOM 172 N3 DT A 6 -5.105 6.149 12.308 1.00 0.44 N ATOM 173 C4 DT A 6 -3.974 5.449 11.942 1.00 0.40 C ATOM 174 O4 DT A 6 -3.971 4.756 10.926 1.00 0.46 O ATOM 175 C5 DT A 6 -2.854 5.617 12.843 1.00 0.31 C ATOM 176 C7 DT A 6 -1.592 4.795 12.590 1.00 0.27 C ATOM 177 C6 DT A 6 -2.956 6.420 13.940 1.00 0.27 C ATOM 0 H5' DT A 6 -1.272 10.181 16.446 1.00 0.26 H new ATOM 0 H5'' DT A 6 -1.505 9.950 18.168 1.00 0.26 H new ATOM 0 H4' DT A 6 -3.619 10.095 17.308 1.00 0.28 H new ATOM 0 H3' DT A 6 -2.868 7.643 18.456 1.00 0.21 H new ATOM 0 H2' DT A 6 -2.993 6.350 16.451 1.00 0.20 H new ATOM 0 H2'' DT A 6 -4.670 6.276 16.952 1.00 0.20 H new ATOM 0 H1' DT A 6 -5.310 8.094 15.511 1.00 0.27 H new ATOM 0 H3 DT A 6 -5.919 6.063 11.700 1.00 0.44 H new ATOM 0 H71 DT A 6 -0.721 5.349 12.939 1.00 0.27 H new ATOM 0 H72 DT A 6 -1.660 3.849 13.128 1.00 0.27 H new ATOM 0 H73 DT A 6 -1.493 4.599 11.522 1.00 0.27 H new ATOM 0 H6 DT A 6 -2.101 6.549 14.588 1.00 0.27 H new ATOM 190 P DG A 7 -5.197 7.293 19.672 1.00 0.22 P ATOM 191 OP1 DG A 7 -6.662 7.364 19.872 1.00 0.25 O ATOM 192 OP2 DG A 7 -4.274 7.559 20.798 1.00 0.30 O ATOM 193 O5' DG A 7 -4.829 5.859 19.033 1.00 0.15 O ATOM 194 C5' DG A 7 -5.757 4.773 18.987 1.00 0.13 C ATOM 195 C4' DG A 7 -5.211 3.614 19.801 1.00 0.10 C ATOM 196 O4' DG A 7 -3.871 3.259 19.347 1.00 0.10 O ATOM 197 C3' DG A 7 -5.109 4.017 21.242 1.00 0.10 C ATOM 198 O3' DG A 7 -5.466 2.934 22.085 1.00 0.09 O ATOM 199 C2' DG A 7 -3.688 4.360 21.396 1.00 0.10 C ATOM 200 C1' DG A 7 -2.955 3.479 20.435 1.00 0.09 C ATOM 201 N9 DG A 7 -1.694 4.118 20.029 1.00 0.10 N ATOM 202 C8 DG A 7 -1.459 5.393 19.638 1.00 0.12 C ATOM 203 N7 DG A 7 -0.230 5.747 19.463 1.00 0.13 N ATOM 204 C5 DG A 7 0.454 4.566 19.773 1.00 0.11 C ATOM 205 C6 DG A 7 1.850 4.295 19.776 1.00 0.12 C ATOM 206 O6 DG A 7 2.775 5.055 19.500 1.00 0.14 O ATOM 207 N1 DG A 7 2.113 2.982 20.147 1.00 0.11 N ATOM 208 C2 DG A 7 1.156 2.043 20.476 1.00 0.10 C ATOM 209 N2 DG A 7 1.604 0.832 20.807 1.00 0.11 N ATOM 210 N3 DG A 7 -0.156 2.290 20.476 1.00 0.09 N ATOM 211 C4 DG A 7 -0.437 3.564 20.117 1.00 0.09 C ATOM 0 H5' DG A 7 -5.921 4.463 17.955 1.00 0.13 H new ATOM 0 H5'' DG A 7 -6.723 5.087 19.382 1.00 0.13 H new ATOM 0 H4' DG A 7 -5.885 2.766 19.679 1.00 0.10 H new ATOM 0 H3' DG A 7 -5.774 4.838 21.511 1.00 0.10 H new ATOM 0 H2' DG A 7 -3.513 5.413 21.175 1.00 0.10 H new ATOM 0 H2'' DG A 7 -3.352 4.189 22.419 1.00 0.10 H new ATOM 0 H1' DG A 7 -2.659 2.521 20.863 1.00 0.09 H new ATOM 0 H8 DG A 7 -2.270 6.088 19.478 1.00 0.12 H new ATOM 0 H1 DG A 7 3.090 2.689 20.179 1.00 0.11 H new ATOM 0 H21 DG A 7 0.945 0.096 21.060 1.00 0.11 H new ATOM 0 H22 DG A 7 2.606 0.642 20.807 1.00 0.11 H new ATOM 223 P DT A 8 -5.883 3.152 23.620 1.00 0.11 P ATOM 224 OP1 DT A 8 -7.360 3.140 23.717 1.00 0.12 O ATOM 225 OP2 DT A 8 -5.106 4.286 24.169 1.00 0.13 O ATOM 226 O5' DT A 8 -5.317 1.792 24.252 1.00 0.10 O ATOM 227 C5' DT A 8 -5.148 0.660 23.393 1.00 0.09 C ATOM 228 C4' DT A 8 -3.896 -0.136 23.718 1.00 0.10 C ATOM 229 O4' DT A 8 -2.683 0.560 23.331 1.00 0.10 O ATOM 230 C3' DT A 8 -3.815 -0.415 25.203 1.00 0.13 C ATOM 231 O3' DT A 8 -3.526 -1.802 25.425 1.00 0.14 O ATOM 232 C2' DT A 8 -2.696 0.481 25.660 1.00 0.14 C ATOM 233 C1' DT A 8 -1.798 0.581 24.462 1.00 0.12 C ATOM 234 N1 DT A 8 -0.983 1.804 24.504 1.00 0.14 N ATOM 235 C2 DT A 8 0.384 1.637 24.649 1.00 0.15 C ATOM 236 O2 DT A 8 0.913 0.527 24.655 1.00 0.16 O ATOM 237 N3 DT A 8 1.127 2.788 24.783 1.00 0.17 N ATOM 238 C4 DT A 8 0.638 4.075 24.790 1.00 0.17 C ATOM 239 O4 DT A 8 1.401 5.030 24.922 1.00 0.19 O ATOM 240 C5 DT A 8 -0.798 4.170 24.634 1.00 0.16 C ATOM 241 C7 DT A 8 -1.436 5.554 24.731 1.00 0.17 C ATOM 242 C6 DT A 8 -1.566 3.046 24.483 1.00 0.14 C ATOM 0 H5' DT A 8 -5.101 0.998 22.358 1.00 0.09 H new ATOM 0 H5'' DT A 8 -6.019 0.011 23.478 1.00 0.09 H new ATOM 0 H4' DT A 8 -3.970 -1.064 23.151 1.00 0.10 H new ATOM 0 H3' DT A 8 -4.740 -0.221 25.746 1.00 0.13 H new ATOM 0 H2' DT A 8 -3.067 1.460 25.963 1.00 0.14 H new ATOM 0 H2'' DT A 8 -2.172 0.059 26.518 1.00 0.14 H new ATOM 0 H1' DT A 8 -1.079 -0.237 24.419 1.00 0.12 H new ATOM 0 H3 DT A 8 2.136 2.677 24.887 1.00 0.17 H new ATOM 0 H71 DT A 8 -0.845 6.181 25.399 1.00 0.17 H new ATOM 0 H72 DT A 8 -1.470 6.009 23.741 1.00 0.17 H new ATOM 0 H73 DT A 8 -2.449 5.461 25.122 1.00 0.17 H new ATOM 0 H6 DT A 8 -2.633 3.138 24.347 1.00 0.14 H new ATOM 255 P DC A 9 -4.156 -2.591 26.679 1.00 0.17 P ATOM 256 OP1 DC A 9 -4.095 -1.706 27.864 1.00 0.20 O ATOM 257 OP2 DC A 9 -3.545 -3.938 26.732 1.00 0.19 O ATOM 258 O5' DC A 9 -5.706 -2.753 26.247 1.00 0.16 O ATOM 259 C5' DC A 9 -6.118 -3.726 25.272 1.00 0.14 C ATOM 260 C4' DC A 9 -6.724 -3.061 24.033 1.00 0.11 C ATOM 261 O4' DC A 9 -5.701 -2.383 23.257 1.00 0.09 O ATOM 262 C3' DC A 9 -7.359 -4.078 23.097 1.00 0.12 C ATOM 263 O3' DC A 9 -8.545 -3.543 22.499 1.00 0.12 O ATOM 264 C2' DC A 9 -6.326 -4.316 22.049 1.00 0.12 C ATOM 265 C1' DC A 9 -5.591 -2.998 21.943 1.00 0.10 C ATOM 266 N1 DC A 9 -4.168 -3.164 21.549 1.00 0.10 N ATOM 267 C2 DC A 9 -3.696 -2.343 20.527 1.00 0.09 C ATOM 268 O2 DC A 9 -4.446 -1.532 19.981 1.00 0.08 O ATOM 269 N3 DC A 9 -2.394 -2.466 20.151 1.00 0.09 N ATOM 270 C4 DC A 9 -1.587 -3.363 20.733 1.00 0.11 C ATOM 271 N4 DC A 9 -0.319 -3.459 20.334 1.00 0.12 N ATOM 272 C5 DC A 9 -2.065 -4.215 21.776 1.00 0.13 C ATOM 273 C6 DC A 9 -3.350 -4.082 22.156 1.00 0.12 C ATOM 0 H5' DC A 9 -6.849 -4.401 25.717 1.00 0.14 H new ATOM 0 H5'' DC A 9 -5.261 -4.332 24.978 1.00 0.14 H new ATOM 0 H4' DC A 9 -7.473 -2.363 24.407 1.00 0.11 H new ATOM 0 H3' DC A 9 -7.650 -4.989 23.619 1.00 0.12 H new ATOM 0 H2' DC A 9 -5.653 -5.126 22.331 1.00 0.12 H new ATOM 0 H2'' DC A 9 -6.781 -4.596 21.099 1.00 0.12 H new ATOM 0 H1' DC A 9 -6.029 -2.379 21.160 1.00 0.10 H new ATOM 0 H41 DC A 9 0.303 -4.139 20.771 1.00 0.12 H new ATOM 0 H42 DC A 9 0.029 -2.853 19.592 1.00 0.12 H new ATOM 0 H5 DC A 9 -1.417 -4.941 22.244 1.00 0.13 H new ATOM 0 H6 DC A 9 -3.740 -4.705 22.947 1.00 0.12 H new ATOM 285 P DC A 10 -9.595 -4.488 21.725 1.00 0.14 P ATOM 286 OP1 DC A 10 -10.962 -4.110 22.148 1.00 0.15 O ATOM 287 OP2 DC A 10 -9.144 -5.893 21.848 1.00 0.16 O ATOM 288 O5' DC A 10 -9.388 -4.021 20.191 1.00 0.13 O ATOM 289 C5' DC A 10 -9.676 -2.669 19.809 1.00 0.11 C ATOM 290 C4' DC A 10 -8.883 -2.210 18.579 1.00 0.11 C ATOM 291 O4' DC A 10 -7.449 -2.362 18.764 1.00 0.11 O ATOM 292 C3' DC A 10 -9.257 -2.995 17.324 1.00 0.11 C ATOM 293 O3' DC A 10 -9.557 -2.113 16.233 1.00 0.11 O ATOM 294 C2' DC A 10 -8.048 -3.827 17.032 1.00 0.11 C ATOM 295 C1' DC A 10 -6.901 -3.028 17.605 1.00 0.11 C ATOM 296 N1 DC A 10 -5.750 -3.885 17.966 1.00 0.11 N ATOM 297 C2 DC A 10 -4.488 -3.486 17.548 1.00 0.12 C ATOM 298 O2 DC A 10 -4.352 -2.476 16.862 1.00 0.11 O ATOM 299 N3 DC A 10 -3.418 -4.244 17.914 1.00 0.12 N ATOM 300 C4 DC A 10 -3.576 -5.345 18.659 1.00 0.13 C ATOM 301 N4 DC A 10 -2.506 -6.062 19.003 1.00 0.14 N ATOM 302 C5 DC A 10 -4.876 -5.758 19.090 1.00 0.13 C ATOM 303 C6 DC A 10 -5.927 -5.004 18.716 1.00 0.12 C ATOM 0 H5' DC A 10 -9.454 -2.006 20.645 1.00 0.11 H new ATOM 0 H5'' DC A 10 -10.742 -2.575 19.602 1.00 0.11 H new ATOM 0 H4' DC A 10 -9.140 -1.158 18.456 1.00 0.11 H new ATOM 0 H3' DC A 10 -10.151 -3.602 17.466 1.00 0.11 H new ATOM 0 H2' DC A 10 -8.120 -4.810 17.497 1.00 0.11 H new ATOM 0 H2'' DC A 10 -7.925 -3.989 15.961 1.00 0.11 H new ATOM 0 H1' DC A 10 -6.507 -2.320 16.876 1.00 0.11 H new ATOM 0 H41 DC A 10 -2.616 -6.902 19.570 1.00 0.14 H new ATOM 0 H42 DC A 10 -1.577 -5.770 18.699 1.00 0.14 H new ATOM 0 H5 DC A 10 -5.010 -6.643 19.694 1.00 0.13 H new ATOM 0 H6 DC A 10 -6.924 -5.292 19.016 1.00 0.12 H new ATOM 315 P DG A 11 -10.337 -2.640 14.922 1.00 0.12 P ATOM 316 OP1 DG A 11 -11.595 -1.871 14.793 1.00 0.13 O ATOM 317 OP2 DG A 11 -10.378 -4.119 14.965 1.00 0.12 O ATOM 318 O5' DG A 11 -9.349 -2.199 13.725 1.00 0.12 O ATOM 319 C5' DG A 11 -9.185 -0.816 13.390 1.00 0.13 C ATOM 320 C4' DG A 11 -8.023 -0.595 12.425 1.00 0.14 C ATOM 321 O4' DG A 11 -6.776 -1.097 12.979 1.00 0.15 O ATOM 322 C3' DG A 11 -8.241 -1.323 11.115 1.00 0.13 C ATOM 323 O3' DG A 11 -7.790 -0.554 10.000 1.00 0.15 O ATOM 324 C2' DG A 11 -7.420 -2.546 11.238 1.00 0.12 C ATOM 325 C1' DG A 11 -6.268 -2.146 12.121 1.00 0.14 C ATOM 326 N9 DG A 11 -5.769 -3.292 12.903 1.00 0.13 N ATOM 327 C8 DG A 11 -6.463 -4.228 13.584 1.00 0.12 C ATOM 328 N7 DG A 11 -5.793 -5.142 14.203 1.00 0.11 N ATOM 329 C5 DG A 11 -4.476 -4.781 13.901 1.00 0.11 C ATOM 330 C6 DG A 11 -3.254 -5.393 14.286 1.00 0.11 C ATOM 331 O6 DG A 11 -3.087 -6.389 14.986 1.00 0.11 O ATOM 332 N1 DG A 11 -2.158 -4.716 13.766 1.00 0.12 N ATOM 333 C2 DG A 11 -2.223 -3.587 12.974 1.00 0.13 C ATOM 334 N2 DG A 11 -1.056 -3.081 12.570 1.00 0.14 N ATOM 335 N3 DG A 11 -3.369 -3.003 12.608 1.00 0.13 N ATOM 336 C4 DG A 11 -4.452 -3.647 13.103 1.00 0.12 C ATOM 0 H5' DG A 11 -9.015 -0.240 14.300 1.00 0.13 H new ATOM 0 H5'' DG A 11 -10.105 -0.440 12.942 1.00 0.13 H new ATOM 0 H4' DG A 11 -7.970 0.481 12.261 1.00 0.14 H new ATOM 0 H3' DG A 11 -9.298 -1.523 10.941 1.00 0.13 H new ATOM 0 H2' DG A 11 -7.991 -3.364 11.678 1.00 0.12 H new ATOM 0 H2'' DG A 11 -7.072 -2.889 10.264 1.00 0.12 H new ATOM 0 H1' DG A 11 -5.418 -1.798 11.534 1.00 0.14 H new ATOM 0 H8 DG A 11 -7.543 -4.213 13.610 1.00 0.12 H new ATOM 0 H1 DG A 11 -1.232 -5.082 13.987 1.00 0.12 H new ATOM 0 H21 DG A 11 -1.038 -2.247 11.982 1.00 0.14 H new ATOM 0 H22 DG A 11 -0.183 -3.528 12.849 1.00 0.14 H new ATOM 348 P DC A 12 -8.137 -1.014 8.496 1.00 0.16 P ATOM 349 OP1 DC A 12 -8.560 0.178 7.729 1.00 0.18 O ATOM 350 OP2 DC A 12 -9.013 -2.206 8.556 1.00 0.14 O ATOM 351 O5' DC A 12 -6.684 -1.478 7.961 1.00 0.18 O ATOM 352 C5' DC A 12 -5.640 -0.508 7.849 1.00 0.20 C ATOM 353 C4' DC A 12 -4.313 -1.085 7.338 1.00 0.19 C ATOM 354 O4' DC A 12 -3.724 -2.022 8.285 1.00 0.18 O ATOM 355 C3' DC A 12 -4.472 -1.835 6.023 1.00 0.19 C ATOM 356 O3' DC A 12 -3.387 -1.544 5.133 1.00 0.21 O ATOM 357 C2' DC A 12 -4.464 -3.277 6.432 1.00 0.17 C ATOM 358 C1' DC A 12 -3.553 -3.311 7.640 1.00 0.15 C ATOM 359 N1 DC A 12 -3.924 -4.410 8.551 1.00 0.13 N ATOM 360 C2 DC A 12 -2.928 -5.271 8.992 1.00 0.13 C ATOM 361 O2 DC A 12 -1.763 -5.117 8.629 1.00 0.15 O ATOM 362 N3 DC A 12 -3.284 -6.285 9.830 1.00 0.12 N ATOM 363 C4 DC A 12 -4.559 -6.443 10.215 1.00 0.11 C ATOM 364 N4 DC A 12 -4.879 -7.445 11.034 1.00 0.10 N ATOM 365 C5 DC A 12 -5.577 -5.551 9.757 1.00 0.12 C ATOM 366 C6 DC A 12 -5.214 -4.562 8.937 1.00 0.14 C ATOM 0 H5' DC A 12 -5.475 -0.051 8.825 1.00 0.20 H new ATOM 0 H5'' DC A 12 -5.964 0.285 7.176 1.00 0.20 H new ATOM 0 H4' DC A 12 -3.668 -0.217 7.202 1.00 0.19 H new ATOM 0 H3' DC A 12 -5.378 -1.557 5.484 1.00 0.19 H new ATOM 0 H2' DC A 12 -5.466 -3.627 6.678 1.00 0.17 H new ATOM 0 H2'' DC A 12 -4.090 -3.916 5.632 1.00 0.17 H new ATOM 0 H1' DC A 12 -2.515 -3.488 7.358 1.00 0.15 H new ATOM 0 H41 DC A 12 -5.846 -7.572 11.331 1.00 0.10 H new ATOM 0 H42 DC A 12 -4.156 -8.085 11.363 1.00 0.10 H new ATOM 0 H5 DC A 12 -6.605 -5.673 10.064 1.00 0.12 H new ATOM 0 H6 DC A 12 -5.961 -3.871 8.575 1.00 0.14 H new ATOM 378 P DG A 13 -3.463 -1.929 3.569 1.00 0.24 P ATOM 379 OP1 DG A 13 -3.291 -0.690 2.778 1.00 0.26 O ATOM 380 OP2 DG A 13 -4.651 -2.785 3.353 1.00 0.24 O ATOM 381 O5' DG A 13 -2.146 -2.839 3.377 1.00 0.25 O ATOM 382 C5' DG A 13 -0.849 -2.302 3.660 1.00 0.27 C ATOM 383 C4' DG A 13 0.152 -3.394 4.038 1.00 0.30 C ATOM 384 O4' DG A 13 -0.354 -4.207 5.136 1.00 0.27 O ATOM 385 C3' DG A 13 0.409 -4.342 2.873 1.00 0.34 C ATOM 386 O3' DG A 13 1.778 -4.760 2.856 1.00 0.39 O ATOM 387 C2' DG A 13 -0.497 -5.506 3.171 1.00 0.33 C ATOM 388 C1' DG A 13 -0.494 -5.577 4.683 1.00 0.29 C ATOM 389 N9 DG A 13 -1.720 -6.214 5.223 1.00 0.25 N ATOM 390 C8 DG A 13 -3.033 -5.955 4.978 1.00 0.23 C ATOM 391 N7 DG A 13 -3.909 -6.675 5.594 1.00 0.21 N ATOM 392 C5 DG A 13 -3.102 -7.527 6.349 1.00 0.22 C ATOM 393 C6 DG A 13 -3.468 -8.564 7.246 1.00 0.22 C ATOM 394 O6 DG A 13 -4.597 -8.934 7.564 1.00 0.22 O ATOM 395 N1 DG A 13 -2.350 -9.179 7.796 1.00 0.24 N ATOM 396 C2 DG A 13 -1.039 -8.840 7.522 1.00 0.26 C ATOM 397 N2 DG A 13 -0.099 -9.549 8.149 1.00 0.29 N ATOM 398 N3 DG A 13 -0.687 -7.865 6.680 1.00 0.27 N ATOM 399 C4 DG A 13 -1.760 -7.252 6.129 1.00 0.25 C ATOM 0 H5' DG A 13 -0.925 -1.582 4.474 1.00 0.27 H new ATOM 0 H5'' DG A 13 -0.483 -1.760 2.788 1.00 0.27 H new ATOM 0 H4' DG A 13 1.070 -2.881 4.322 1.00 0.30 H new ATOM 0 H3' DG A 13 0.219 -3.888 1.900 1.00 0.34 H new ATOM 0 H2' DG A 13 -1.501 -5.344 2.779 1.00 0.33 H new ATOM 0 H2'' DG A 13 -0.125 -6.429 2.725 1.00 0.33 H new ATOM 0 HO3' DG A 13 1.925 -5.369 2.103 1.00 0.39 H new ATOM 0 H1' DG A 13 0.322 -6.204 5.042 1.00 0.29 H new ATOM 0 H8 DG A 13 -3.331 -5.175 4.293 1.00 0.23 H new ATOM 0 H1 DG A 13 -2.510 -9.941 8.454 1.00 0.24 H new ATOM 0 H21 DG A 13 0.887 -9.345 7.987 1.00 0.29 H new ATOM 0 H22 DG A 13 -0.366 -10.295 8.791 1.00 0.29 H new TER 412 DG A 13 END