USER MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 151 hydrogens (15 hets) HEADER DNA 28-MAR-02 1LAE TITLE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN CGCGGTXTCCGCG TITLE 2 (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT TITLE 3 AT THE SEVENTH POSITION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)- COMPND 3 3'; COMPND 4 CHAIN: A; COMPND 5 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, NMR, PROPANPODEOXYGUANOSINE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE REVDAT 2 24-FEB-09 1LAE 1 VERSN REVDAT 1 17-APR-02 1LAE 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, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LAE 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 RCSB015792. 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, 31P-1H COSY, DQF- 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. = 3.0 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.7 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 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES 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: 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 1LAE A 1 13 PDB 1LAE 1LAE 1 13 SEQRES 1 A 13 DC DG DC DG DG DT P DT DC DC DG DC DG MODRES 1LAE P A 7 DG HET P A 7 40 HETNAM P 2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE FORMUL 1 P C13 H18 N5 O7 P LINK O3' DT A 6 P P A 7 1555 1555 1.61 LINK O3' P A 7 P DT A 8 1555 1555 1.61 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= -0.269 USER MOD Single : A 6 DT C7 :methyl 150:sc=-0.00628 (180deg=-0.00628) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0284 (180deg=-2.3!) USER MOD Single : A 13 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 1.477 -17.625 15.716 1.00 0.69 O ATOM 2 C5' DC A 1 2.783 -18.207 15.687 1.00 0.69 C ATOM 3 C4' DC A 1 3.875 -17.138 15.666 1.00 0.59 C ATOM 4 O4' DC A 1 3.727 -16.259 14.515 1.00 0.53 O ATOM 5 C3' DC A 1 3.793 -16.250 16.893 1.00 0.55 C ATOM 6 O3' DC A 1 5.095 -15.838 17.309 1.00 0.50 O ATOM 7 C2' DC A 1 2.990 -15.075 16.428 1.00 0.50 C ATOM 8 C1' DC A 1 3.387 -14.921 14.972 1.00 0.46 C ATOM 9 N1 DC A 1 2.287 -14.338 14.161 1.00 0.45 N ATOM 10 C2 DC A 1 2.599 -13.276 13.317 1.00 0.38 C ATOM 11 O2 DC A 1 3.743 -12.824 13.280 1.00 0.32 O ATOM 12 N3 DC A 1 1.607 -12.752 12.545 1.00 0.39 N ATOM 13 C4 DC A 1 0.361 -13.240 12.597 1.00 0.46 C ATOM 14 N4 DC A 1 -0.584 -12.704 11.824 1.00 0.47 N ATOM 15 C5 DC A 1 0.032 -14.326 13.463 1.00 0.54 C ATOM 16 C6 DC A 1 1.015 -14.843 14.223 1.00 0.53 C ATOM 0 H5' DC A 1 2.879 -18.843 14.807 1.00 0.69 H new ATOM 0 H5'' DC A 1 2.916 -18.847 16.559 1.00 0.69 H new ATOM 0 H4' DC A 1 4.824 -17.672 15.631 1.00 0.59 H new ATOM 0 H3' DC A 1 3.348 -16.755 17.750 1.00 0.55 H new ATOM 0 H2' DC A 1 1.920 -15.254 16.534 1.00 0.50 H new ATOM 0 H2'' DC A 1 3.222 -14.179 17.003 1.00 0.50 H new ATOM 0 HO5' DC A 1 0.802 -18.336 15.727 1.00 0.69 H new ATOM 0 H1' DC A 1 4.226 -14.234 14.863 1.00 0.46 H new ATOM 0 H41 DC A 1 -1.536 -13.068 11.856 1.00 0.47 H new ATOM 0 H42 DC A 1 -0.355 -11.930 11.201 1.00 0.47 H new ATOM 0 H5 DC A 1 -0.973 -14.720 13.507 1.00 0.54 H new ATOM 0 H6 DC A 1 0.799 -15.665 14.889 1.00 0.53 H new ATOM 29 P DG A 2 5.349 -15.262 18.787 1.00 0.51 P ATOM 30 OP1 DG A 2 6.454 -16.030 19.404 1.00 0.55 O ATOM 31 OP2 DG A 2 4.046 -15.151 19.481 1.00 0.57 O ATOM 32 O5' DG A 2 5.879 -13.777 18.466 1.00 0.42 O ATOM 33 C5' DG A 2 7.050 -13.583 17.665 1.00 0.36 C ATOM 34 C4' DG A 2 7.122 -12.167 17.097 1.00 0.31 C ATOM 35 O4' DG A 2 6.040 -11.901 16.159 1.00 0.28 O ATOM 36 C3' DG A 2 7.016 -11.115 18.195 1.00 0.32 C ATOM 37 O3' DG A 2 8.004 -10.099 18.010 1.00 0.30 O ATOM 38 C2' DG A 2 5.633 -10.554 18.039 1.00 0.32 C ATOM 39 C1' DG A 2 5.358 -10.689 16.565 1.00 0.28 C ATOM 40 N9 DG A 2 3.908 -10.747 16.272 1.00 0.28 N ATOM 41 C8 DG A 2 2.914 -11.439 16.888 1.00 0.36 C ATOM 42 N7 DG A 2 1.724 -11.340 16.400 1.00 0.34 N ATOM 43 C5 DG A 2 1.927 -10.472 15.326 1.00 0.23 C ATOM 44 C6 DG A 2 0.997 -9.963 14.383 1.00 0.17 C ATOM 45 O6 DG A 2 -0.210 -10.183 14.307 1.00 0.19 O ATOM 46 N1 DG A 2 1.611 -9.118 13.467 1.00 0.13 N ATOM 47 C2 DG A 2 2.955 -8.799 13.456 1.00 0.14 C ATOM 48 N2 DG A 2 3.357 -7.960 12.501 1.00 0.20 N ATOM 49 N3 DG A 2 3.836 -9.276 14.339 1.00 0.15 N ATOM 50 C4 DG A 2 3.260 -10.102 15.241 1.00 0.20 C ATOM 0 H5' DG A 2 7.054 -14.303 16.847 1.00 0.36 H new ATOM 0 H5'' DG A 2 7.938 -13.779 18.266 1.00 0.36 H new ATOM 0 H4' DG A 2 8.087 -12.106 16.594 1.00 0.31 H new ATOM 0 H3' DG A 2 7.184 -11.527 19.190 1.00 0.32 H new ATOM 0 H2' DG A 2 4.907 -11.107 18.634 1.00 0.32 H new ATOM 0 H2'' DG A 2 5.584 -9.514 18.362 1.00 0.32 H new ATOM 0 H1' DG A 2 5.718 -9.821 16.012 1.00 0.28 H new ATOM 0 H8 DG A 2 3.113 -12.050 17.756 1.00 0.36 H new ATOM 0 H1 DG A 2 1.023 -8.700 12.746 1.00 0.13 H new ATOM 0 H21 DG A 2 4.338 -7.687 12.442 1.00 0.20 H new ATOM 0 H22 DG A 2 2.683 -7.591 11.830 1.00 0.20 H new ATOM 62 P DC A 3 8.266 -8.973 19.128 1.00 0.32 P ATOM 63 OP1 DC A 3 9.724 -8.880 19.366 1.00 0.34 O ATOM 64 OP2 DC A 3 7.343 -9.209 20.262 1.00 0.37 O ATOM 65 O5' DC A 3 7.790 -7.643 18.356 1.00 0.29 O ATOM 66 C5' DC A 3 8.380 -7.303 17.096 1.00 0.26 C ATOM 67 C4' DC A 3 7.684 -6.118 16.431 1.00 0.25 C ATOM 68 O4' DC A 3 6.394 -6.504 15.898 1.00 0.26 O ATOM 69 C3' DC A 3 7.452 -4.981 17.421 1.00 0.26 C ATOM 70 O3' DC A 3 7.865 -3.723 16.877 1.00 0.26 O ATOM 71 C2' DC A 3 5.970 -4.991 17.669 1.00 0.27 C ATOM 72 C1' DC A 3 5.374 -5.636 16.433 1.00 0.27 C ATOM 73 N1 DC A 3 4.139 -6.391 16.738 1.00 0.27 N ATOM 74 C2 DC A 3 3.041 -6.162 15.922 1.00 0.27 C ATOM 75 O2 DC A 3 3.120 -5.361 14.993 1.00 0.26 O ATOM 76 N3 DC A 3 1.893 -6.847 16.176 1.00 0.27 N ATOM 77 C4 DC A 3 1.821 -7.720 17.188 1.00 0.28 C ATOM 78 N4 DC A 3 0.680 -8.377 17.404 1.00 0.29 N ATOM 79 C5 DC A 3 2.950 -7.961 18.034 1.00 0.29 C ATOM 80 C6 DC A 3 4.083 -7.280 17.775 1.00 0.28 C ATOM 0 H5' DC A 3 8.336 -8.166 16.432 1.00 0.26 H new ATOM 0 H5'' DC A 3 9.434 -7.067 17.243 1.00 0.26 H new ATOM 0 H4' DC A 3 8.342 -5.785 15.628 1.00 0.25 H new ATOM 0 H3' DC A 3 8.030 -5.115 18.336 1.00 0.26 H new ATOM 0 H2' DC A 3 5.723 -5.556 18.568 1.00 0.27 H new ATOM 0 H2'' DC A 3 5.586 -3.981 17.812 1.00 0.27 H new ATOM 0 H1' DC A 3 5.079 -4.874 15.711 1.00 0.27 H new ATOM 0 H41 DC A 3 0.614 -9.045 18.172 1.00 0.29 H new ATOM 0 H42 DC A 3 -0.126 -8.212 16.801 1.00 0.29 H new ATOM 0 H5 DC A 3 2.895 -8.664 18.852 1.00 0.29 H new ATOM 0 H6 DC A 3 4.955 -7.438 18.392 1.00 0.28 H new ATOM 92 P DG A 4 8.141 -2.463 17.843 1.00 0.26 P ATOM 93 OP1 DG A 4 9.484 -1.926 17.529 1.00 0.27 O ATOM 94 OP2 DG A 4 7.810 -2.855 19.232 1.00 0.27 O ATOM 95 O5' DG A 4 7.043 -1.396 17.346 1.00 0.27 O ATOM 96 C5' DG A 4 7.077 -0.869 16.017 1.00 0.28 C ATOM 97 C4' DG A 4 5.779 -0.140 15.673 1.00 0.29 C ATOM 98 O4' DG A 4 4.626 -1.010 15.843 1.00 0.29 O ATOM 99 C3' DG A 4 5.573 1.073 16.574 1.00 0.27 C ATOM 100 O3' DG A 4 5.242 2.230 15.795 1.00 0.29 O ATOM 101 C2' DG A 4 4.436 0.684 17.474 1.00 0.24 C ATOM 102 C1' DG A 4 3.662 -0.356 16.699 1.00 0.26 C ATOM 103 N9 DG A 4 2.984 -1.311 17.600 1.00 0.24 N ATOM 104 C8 DG A 4 3.491 -2.106 18.579 1.00 0.25 C ATOM 105 N7 DG A 4 2.667 -2.864 19.220 1.00 0.23 N ATOM 106 C5 DG A 4 1.452 -2.547 18.607 1.00 0.23 C ATOM 107 C6 DG A 4 0.149 -3.047 18.863 1.00 0.25 C ATOM 108 O6 DG A 4 -0.197 -3.875 19.699 1.00 0.26 O ATOM 109 N1 DG A 4 -0.795 -2.467 18.024 1.00 0.27 N ATOM 110 C2 DG A 4 -0.524 -1.520 17.058 1.00 0.26 C ATOM 111 N2 DG A 4 -1.566 -1.082 16.349 1.00 0.30 N ATOM 112 N3 DG A 4 0.700 -1.043 16.811 1.00 0.24 N ATOM 113 C4 DG A 4 1.637 -1.597 17.616 1.00 0.23 C ATOM 0 H5' DG A 4 7.240 -1.679 15.307 1.00 0.28 H new ATOM 0 H5'' DG A 4 7.919 -0.183 15.917 1.00 0.28 H new ATOM 0 H4' DG A 4 5.866 0.172 14.632 1.00 0.29 H new ATOM 0 H3' DG A 4 6.470 1.333 17.136 1.00 0.27 H new ATOM 0 H2' DG A 4 4.801 0.282 18.419 1.00 0.24 H new ATOM 0 H2'' DG A 4 3.811 1.544 17.714 1.00 0.24 H new ATOM 0 H1' DG A 4 2.864 0.098 16.111 1.00 0.26 H new ATOM 0 H8 DG A 4 4.546 -2.103 18.812 1.00 0.25 H new ATOM 0 H1 DG A 4 -1.765 -2.765 18.131 1.00 0.27 H new ATOM 0 H21 DG A 4 -1.429 -0.382 15.620 1.00 0.30 H new ATOM 0 H22 DG A 4 -2.500 -1.448 16.536 1.00 0.30 H new ATOM 125 P DG A 5 5.330 3.711 16.424 1.00 0.28 P ATOM 126 OP1 DG A 5 6.289 4.500 15.618 1.00 0.33 O ATOM 127 OP2 DG A 5 5.521 3.590 17.887 1.00 0.26 O ATOM 128 O5' DG A 5 3.850 4.288 16.157 1.00 0.27 O ATOM 129 C5' DG A 5 3.412 4.588 14.827 1.00 0.33 C ATOM 130 C4' DG A 5 1.914 4.852 14.772 1.00 0.33 C ATOM 131 O4' DG A 5 1.168 3.759 15.361 1.00 0.29 O ATOM 132 C3' DG A 5 1.551 6.125 15.522 1.00 0.34 C ATOM 133 O3' DG A 5 0.736 6.983 14.724 1.00 0.41 O ATOM 134 C2' DG A 5 0.822 5.655 16.761 1.00 0.29 C ATOM 135 C1' DG A 5 0.342 4.242 16.445 1.00 0.26 C ATOM 136 N9 DG A 5 0.460 3.329 17.615 1.00 0.19 N ATOM 137 C8 DG A 5 1.513 3.123 18.454 1.00 0.17 C ATOM 138 N7 DG A 5 1.408 2.188 19.333 1.00 0.13 N ATOM 139 C5 DG A 5 0.132 1.691 19.077 1.00 0.12 C ATOM 140 C6 DG A 5 -0.571 0.638 19.719 1.00 0.12 C ATOM 141 O6 DG A 5 -0.191 -0.083 20.638 1.00 0.13 O ATOM 142 N1 DG A 5 -1.830 0.454 19.170 1.00 0.14 N ATOM 143 C2 DG A 5 -2.358 1.185 18.127 1.00 0.17 C ATOM 144 N2 DG A 5 -3.595 0.855 17.752 1.00 0.20 N ATOM 145 N3 DG A 5 -1.702 2.180 17.508 1.00 0.18 N ATOM 146 C4 DG A 5 -0.466 2.382 18.030 1.00 0.16 C ATOM 0 H5' DG A 5 3.659 3.757 14.167 1.00 0.33 H new ATOM 0 H5'' DG A 5 3.949 5.461 14.456 1.00 0.33 H new ATOM 0 H4' DG A 5 1.654 4.955 13.718 1.00 0.33 H new ATOM 0 H3' DG A 5 2.432 6.716 15.774 1.00 0.34 H new ATOM 0 H2' DG A 5 1.481 5.660 17.629 1.00 0.29 H new ATOM 0 H2'' DG A 5 -0.017 6.311 16.994 1.00 0.29 H new ATOM 0 H1' DG A 5 -0.715 4.265 16.179 1.00 0.26 H new ATOM 0 H8 DG A 5 2.407 3.725 18.384 1.00 0.17 H new ATOM 0 H1 DG A 5 -2.413 -0.281 19.570 1.00 0.14 H new ATOM 0 H21 DG A 5 -4.046 1.355 16.986 1.00 0.20 H new ATOM 0 H22 DG A 5 -4.089 0.102 18.231 1.00 0.20 H new ATOM 158 P DT A 6 0.808 8.578 14.939 1.00 0.46 P ATOM 159 OP1 DT A 6 1.466 9.174 13.755 1.00 0.51 O ATOM 160 OP2 DT A 6 1.344 8.844 16.294 1.00 0.44 O ATOM 161 O5' DT A 6 -0.740 8.997 14.916 1.00 0.50 O ATOM 162 C5' DT A 6 -1.374 9.553 16.069 1.00 0.51 C ATOM 163 C4' DT A 6 -2.882 9.530 15.916 1.00 0.54 C ATOM 164 O4' DT A 6 -3.298 9.732 14.533 1.00 0.60 O ATOM 165 C3' DT A 6 -3.417 8.209 16.335 1.00 0.47 C ATOM 166 O3' DT A 6 -4.662 8.367 17.033 1.00 0.49 O ATOM 167 C2' DT A 6 -3.587 7.427 15.077 1.00 0.48 C ATOM 168 C1' DT A 6 -3.873 8.487 14.022 1.00 0.57 C ATOM 169 N1 DT A 6 -3.301 8.107 12.698 1.00 0.60 N ATOM 170 C2 DT A 6 -4.166 8.065 11.617 1.00 0.68 C ATOM 171 O2 DT A 6 -5.354 8.372 11.712 1.00 0.72 O ATOM 172 N3 DT A 6 -3.616 7.655 10.414 1.00 0.72 N ATOM 173 C4 DT A 6 -2.298 7.288 10.199 1.00 0.69 C ATOM 174 O4 DT A 6 -1.919 6.937 9.083 1.00 0.75 O ATOM 175 C5 DT A 6 -1.470 7.362 11.381 1.00 0.61 C ATOM 176 C7 DT A 6 0.002 6.945 11.309 1.00 0.59 C ATOM 177 C6 DT A 6 -1.980 7.764 12.560 1.00 0.57 C ATOM 0 H5' DT A 6 -1.034 10.578 16.218 1.00 0.51 H new ATOM 0 H5'' DT A 6 -1.085 8.989 16.956 1.00 0.51 H new ATOM 0 H4' DT A 6 -3.266 10.339 16.538 1.00 0.54 H new ATOM 0 H3' DT A 6 -2.747 7.697 17.025 1.00 0.47 H new ATOM 0 H2' DT A 6 -2.690 6.857 14.837 1.00 0.48 H new ATOM 0 H2'' DT A 6 -4.407 6.713 15.158 1.00 0.48 H new ATOM 0 H1' DT A 6 -4.944 8.598 13.851 1.00 0.57 H new ATOM 0 H3 DT A 6 -4.242 7.620 9.609 1.00 0.72 H new ATOM 0 H71 DT A 6 0.579 7.519 12.034 1.00 0.59 H new ATOM 0 H72 DT A 6 0.091 5.882 11.535 1.00 0.59 H new ATOM 0 H73 DT A 6 0.386 7.136 10.307 1.00 0.59 H new ATOM 0 H6 DT A 6 -1.331 7.818 13.422 1.00 0.57 H new HETATM 190 P P A 7 -5.190 7.259 18.073 1.00 0.45 P HETATM 191 OP1 P A 7 -6.659 7.398 18.191 1.00 0.73 O HETATM 192 OP2 P A 7 -4.343 7.320 19.285 1.00 0.87 O HETATM 193 O5' P A 7 -4.870 5.887 17.299 1.00 0.55 O HETATM 194 C5' P A 7 -5.894 4.932 17.000 1.00 0.37 C HETATM 195 C4' P A 7 -5.923 3.804 18.046 1.00 0.26 C HETATM 196 O4' P A 7 -4.560 3.360 18.306 1.00 0.22 O HETATM 197 C3' P A 7 -6.498 4.224 19.411 1.00 0.24 C HETATM 198 O3' P A 7 -7.183 3.118 20.007 1.00 0.22 O HETATM 199 C2' P A 7 -5.278 4.560 20.212 1.00 0.23 C HETATM 200 C1' P A 7 -4.232 3.611 19.697 1.00 0.18 C HETATM 201 N9 P A 7 -2.874 4.160 19.885 1.00 0.18 N HETATM 202 C8 P A 7 -2.281 5.240 19.329 1.00 0.23 C HETATM 203 N7 P A 7 -1.076 5.513 19.695 1.00 0.24 N HETATM 204 C5 P A 7 -0.818 4.493 20.618 1.00 0.20 C HETATM 205 C6 P A 7 0.356 4.247 21.380 1.00 0.21 C HETATM 206 O6 P A 7 1.398 4.900 21.371 1.00 0.25 O HETATM 207 N1 P A 7 0.250 3.128 22.209 1.00 0.21 N HETATM 208 C2 P A 7 -0.990 2.302 22.260 1.00 0.19 C HETATM 209 N2 P A 7 -1.023 1.205 23.111 1.00 0.24 N HETATM 210 N3 P A 7 -2.063 2.581 21.519 1.00 0.17 N HETATM 211 C4 P A 7 -1.916 3.664 20.738 1.00 0.17 C HETATM 212 C6A P A 7 0.190 0.746 23.814 1.00 0.32 C HETATM 213 C7A P A 7 0.997 1.951 24.269 1.00 0.62 C HETATM 214 C8A P A 7 1.411 2.767 23.054 1.00 0.25 C HETATM 0 H8A2 P A 7 2.128 2.198 22.462 1.00 0.25 H new HETATM 0 H8A1 P A 7 1.917 3.675 23.382 1.00 0.25 H new HETATM 0 H7A2 P A 7 0.405 2.564 24.948 1.00 0.62 H new HETATM 0 H7A1 P A 7 1.879 1.625 24.820 1.00 0.62 H new HETATM 0 H6A2 P A 7 -0.084 0.133 24.673 1.00 0.32 H new HETATM 0 H6A1 P A 7 0.791 0.120 23.154 1.00 0.32 H new HETATM 0 H5'' P A 7 -6.863 5.430 16.971 1.00 0.37 H new HETATM 0 H2'' P A 7 -4.980 5.599 20.069 1.00 0.23 H new HETATM 0 H8 P A 7 -2.803 5.857 18.598 1.00 0.23 H new HETATM 0 H5' P A 7 -5.723 4.509 16.010 1.00 0.37 H new HETATM 0 H4' P A 7 -6.563 3.031 17.621 1.00 0.26 H new HETATM 0 H3' P A 7 -7.209 5.047 19.346 1.00 0.24 H new HETATM 0 H2' P A 7 -5.451 4.422 21.279 1.00 0.23 H new HETATM 0 H2 P A 7 -1.902 0.708 23.253 1.00 0.24 H new HETATM 0 H1' P A 7 -4.229 2.672 20.250 1.00 0.18 H new ATOM 230 P DT A 8 -8.154 3.316 21.275 1.00 0.25 P ATOM 231 OP1 DT A 8 -9.469 2.718 20.956 1.00 0.26 O ATOM 232 OP2 DT A 8 -8.069 4.727 21.719 1.00 0.29 O ATOM 233 O5' DT A 8 -7.432 2.395 22.382 1.00 0.25 O ATOM 234 C5' DT A 8 -6.950 1.095 22.024 1.00 0.23 C ATOM 235 C4' DT A 8 -6.197 0.424 23.169 1.00 0.26 C ATOM 236 O4' DT A 8 -4.981 1.142 23.505 1.00 0.27 O ATOM 237 C3' DT A 8 -7.046 0.361 24.420 1.00 0.32 C ATOM 238 O3' DT A 8 -6.908 -0.909 25.066 1.00 0.35 O ATOM 239 C2' DT A 8 -6.514 1.474 25.269 1.00 0.35 C ATOM 240 C1' DT A 8 -5.058 1.596 24.876 1.00 0.33 C ATOM 241 N1 DT A 8 -4.588 2.991 25.001 1.00 0.35 N ATOM 242 C2 DT A 8 -3.643 3.267 25.974 1.00 0.40 C ATOM 243 O2 DT A 8 -3.190 2.397 26.717 1.00 0.42 O ATOM 244 N3 DT A 8 -3.234 4.584 26.065 1.00 0.43 N ATOM 245 C4 DT A 8 -3.680 5.633 25.282 1.00 0.43 C ATOM 246 O4 DT A 8 -3.246 6.770 25.452 1.00 0.47 O ATOM 247 C5 DT A 8 -4.665 5.251 24.293 1.00 0.38 C ATOM 248 C7 DT A 8 -5.245 6.313 23.362 1.00 0.39 C ATOM 249 C6 DT A 8 -5.081 3.972 24.183 1.00 0.34 C ATOM 0 H5' DT A 8 -6.292 1.179 21.159 1.00 0.23 H new ATOM 0 H5'' DT A 8 -7.790 0.467 21.726 1.00 0.23 H new ATOM 0 H4' DT A 8 -5.953 -0.580 22.823 1.00 0.26 H new ATOM 0 H3' DT A 8 -8.112 0.469 24.218 1.00 0.32 H new ATOM 0 H2' DT A 8 -7.053 2.404 25.086 1.00 0.35 H new ATOM 0 H2'' DT A 8 -6.620 1.248 26.330 1.00 0.35 H new ATOM 0 H1' DT A 8 -4.419 1.001 25.529 1.00 0.33 H new ATOM 0 H3 DT A 8 -2.537 4.803 26.777 1.00 0.43 H new ATOM 0 H71 DT A 8 -5.254 7.277 23.871 1.00 0.39 H new ATOM 0 H72 DT A 8 -4.632 6.383 22.463 1.00 0.39 H new ATOM 0 H73 DT A 8 -6.263 6.039 23.087 1.00 0.39 H new ATOM 0 H6 DT A 8 -5.817 3.717 23.435 1.00 0.34 H new ATOM 262 P DC A 9 -8.179 -1.605 25.761 1.00 0.40 P ATOM 263 OP1 DC A 9 -8.754 -0.654 26.738 1.00 0.43 O ATOM 264 OP2 DC A 9 -7.782 -2.964 26.197 1.00 0.44 O ATOM 265 O5' DC A 9 -9.206 -1.746 24.526 1.00 0.36 O ATOM 266 C5' DC A 9 -9.158 -2.879 23.650 1.00 0.36 C ATOM 267 C4' DC A 9 -9.079 -2.455 22.178 1.00 0.30 C ATOM 268 O4' DC A 9 -7.865 -1.698 21.909 1.00 0.26 O ATOM 269 C3' DC A 9 -9.070 -3.656 21.245 1.00 0.31 C ATOM 270 O3' DC A 9 -9.885 -3.414 20.087 1.00 0.29 O ATOM 271 C2' DC A 9 -7.631 -3.796 20.871 1.00 0.30 C ATOM 272 C1' DC A 9 -7.085 -2.389 20.905 1.00 0.25 C ATOM 273 N1 DC A 9 -5.635 -2.355 21.223 1.00 0.24 N ATOM 274 C2 DC A 9 -4.819 -1.563 20.415 1.00 0.20 C ATOM 275 O2 DC A 9 -5.292 -0.947 19.459 1.00 0.17 O ATOM 276 N3 DC A 9 -3.492 -1.494 20.708 1.00 0.19 N ATOM 277 C4 DC A 9 -2.978 -2.171 21.743 1.00 0.23 C ATOM 278 N4 DC A 9 -1.673 -2.079 22.002 1.00 0.23 N ATOM 279 C5 DC A 9 -3.808 -2.989 22.574 1.00 0.28 C ATOM 280 C6 DC A 9 -5.122 -3.053 22.281 1.00 0.29 C ATOM 0 H5' DC A 9 -10.043 -3.496 23.804 1.00 0.36 H new ATOM 0 H5'' DC A 9 -8.293 -3.495 23.898 1.00 0.36 H new ATOM 0 H4' DC A 9 -9.963 -1.843 21.997 1.00 0.30 H new ATOM 0 H3' DC A 9 -9.476 -4.556 21.706 1.00 0.31 H new ATOM 0 H2' DC A 9 -7.102 -4.443 21.571 1.00 0.30 H new ATOM 0 H2'' DC A 9 -7.521 -4.239 19.881 1.00 0.30 H new ATOM 0 H1' DC A 9 -7.169 -1.913 19.928 1.00 0.25 H new ATOM 0 H41 DC A 9 -1.272 -2.591 22.788 1.00 0.23 H new ATOM 0 H42 DC A 9 -1.076 -1.497 21.414 1.00 0.23 H new ATOM 0 H5 DC A 9 -3.395 -3.537 23.408 1.00 0.28 H new ATOM 0 H6 DC A 9 -5.776 -3.662 22.888 1.00 0.29 H new ATOM 292 P DC A 10 -10.522 -4.634 19.242 1.00 0.33 P ATOM 293 OP1 DC A 10 -11.962 -4.356 19.045 1.00 0.35 O ATOM 294 OP2 DC A 10 -10.097 -5.906 19.870 1.00 0.37 O ATOM 295 O5' DC A 10 -9.784 -4.509 17.813 1.00 0.30 O ATOM 296 C5' DC A 10 -10.138 -3.474 16.886 1.00 0.27 C ATOM 297 C4' DC A 10 -8.956 -3.096 15.989 1.00 0.27 C ATOM 298 O4' DC A 10 -7.760 -2.811 16.769 1.00 0.28 O ATOM 299 C3' DC A 10 -8.601 -4.217 15.015 1.00 0.27 C ATOM 300 O3' DC A 10 -8.598 -3.735 13.669 1.00 0.26 O ATOM 301 C2' DC A 10 -7.227 -4.671 15.422 1.00 0.28 C ATOM 302 C1' DC A 10 -6.636 -3.498 16.171 1.00 0.28 C ATOM 303 N1 DC A 10 -5.632 -3.919 17.188 1.00 0.28 N ATOM 304 C2 DC A 10 -4.432 -3.215 17.233 1.00 0.28 C ATOM 305 O2 DC A 10 -4.217 -2.299 16.443 1.00 0.26 O ATOM 306 N3 DC A 10 -3.511 -3.569 18.172 1.00 0.28 N ATOM 307 C4 DC A 10 -3.750 -4.562 19.036 1.00 0.30 C ATOM 308 N4 DC A 10 -2.833 -4.875 19.950 1.00 0.31 N ATOM 309 C5 DC A 10 -4.975 -5.290 18.994 1.00 0.31 C ATOM 310 C6 DC A 10 -5.880 -4.943 18.061 1.00 0.30 C ATOM 0 H5' DC A 10 -10.477 -2.594 17.433 1.00 0.27 H new ATOM 0 H5'' DC A 10 -10.973 -3.807 16.269 1.00 0.27 H new ATOM 0 H4' DC A 10 -9.275 -2.208 15.442 1.00 0.27 H new ATOM 0 H3' DC A 10 -9.325 -5.031 15.050 1.00 0.27 H new ATOM 0 H2' DC A 10 -7.275 -5.559 16.053 1.00 0.28 H new ATOM 0 H2'' DC A 10 -6.623 -4.930 14.553 1.00 0.28 H new ATOM 0 H1' DC A 10 -6.082 -2.844 15.498 1.00 0.28 H new ATOM 0 H41 DC A 10 -3.010 -5.631 20.611 1.00 0.31 H new ATOM 0 H42 DC A 10 -1.954 -4.359 19.988 1.00 0.31 H new ATOM 0 H5 DC A 10 -5.170 -6.094 19.688 1.00 0.31 H new ATOM 0 H6 DC A 10 -6.815 -5.480 18.000 1.00 0.30 H new ATOM 322 P DG A 11 -8.656 -4.750 12.420 1.00 0.26 P ATOM 323 OP1 DG A 11 -9.806 -4.374 11.568 1.00 0.29 O ATOM 324 OP2 DG A 11 -8.535 -6.134 12.931 1.00 0.25 O ATOM 325 O5' DG A 11 -7.300 -4.382 11.633 1.00 0.25 O ATOM 326 C5' DG A 11 -7.056 -3.033 11.221 1.00 0.30 C ATOM 327 C4' DG A 11 -5.653 -2.853 10.646 1.00 0.34 C ATOM 328 O4' DG A 11 -4.640 -3.100 11.657 1.00 0.35 O ATOM 329 C3' DG A 11 -5.384 -3.823 9.511 1.00 0.31 C ATOM 330 O3' DG A 11 -4.611 -3.218 8.471 1.00 0.38 O ATOM 331 C2' DG A 11 -4.619 -4.918 10.157 1.00 0.28 C ATOM 332 C1' DG A 11 -3.841 -4.239 11.257 1.00 0.31 C ATOM 333 N9 DG A 11 -3.609 -5.158 12.385 1.00 0.26 N ATOM 334 C8 DG A 11 -4.490 -5.929 13.066 1.00 0.23 C ATOM 335 N7 DG A 11 -4.029 -6.663 14.024 1.00 0.20 N ATOM 336 C5 DG A 11 -2.665 -6.352 13.987 1.00 0.21 C ATOM 337 C6 DG A 11 -1.600 -6.833 14.794 1.00 0.21 C ATOM 338 O6 DG A 11 -1.646 -7.647 15.716 1.00 0.20 O ATOM 339 N1 DG A 11 -0.386 -6.264 14.425 1.00 0.24 N ATOM 340 C2 DG A 11 -0.214 -5.347 13.405 1.00 0.27 C ATOM 341 N2 DG A 11 1.030 -4.919 13.195 1.00 0.31 N ATOM 342 N3 DG A 11 -1.211 -4.893 12.644 1.00 0.28 N ATOM 343 C4 DG A 11 -2.402 -5.431 12.985 1.00 0.24 C ATOM 0 H5' DG A 11 -7.187 -2.365 12.072 1.00 0.30 H new ATOM 0 H5'' DG A 11 -7.794 -2.744 10.473 1.00 0.30 H new ATOM 0 H4' DG A 11 -5.604 -1.825 10.286 1.00 0.34 H new ATOM 0 H3' DG A 11 -6.303 -4.162 9.034 1.00 0.31 H new ATOM 0 H2' DG A 11 -5.283 -5.684 10.556 1.00 0.28 H new ATOM 0 H2'' DG A 11 -3.955 -5.410 9.447 1.00 0.28 H new ATOM 0 H1' DG A 11 -2.853 -3.927 10.917 1.00 0.31 H new ATOM 0 H8 DG A 11 -5.541 -5.930 12.817 1.00 0.23 H new ATOM 0 H1 DG A 11 0.443 -6.546 14.948 1.00 0.24 H new ATOM 0 H21 DG A 11 1.218 -4.242 12.456 1.00 0.31 H new ATOM 0 H22 DG A 11 1.794 -5.268 13.773 1.00 0.31 H new ATOM 355 P DC A 12 -4.408 -3.968 7.059 1.00 0.40 P ATOM 356 OP1 DC A 12 -4.623 -2.983 5.974 1.00 0.46 O ATOM 357 OP2 DC A 12 -5.183 -5.229 7.077 1.00 0.34 O ATOM 358 O5' DC A 12 -2.838 -4.338 7.106 1.00 0.43 O ATOM 359 C5' DC A 12 -1.870 -3.287 7.121 1.00 0.49 C ATOM 360 C4' DC A 12 -0.441 -3.784 7.360 1.00 0.50 C ATOM 361 O4' DC A 12 -0.289 -4.357 8.683 1.00 0.44 O ATOM 362 C3' DC A 12 -0.016 -4.844 6.346 1.00 0.51 C ATOM 363 O3' DC A 12 1.260 -4.536 5.767 1.00 0.58 O ATOM 364 C2' DC A 12 0.041 -6.120 7.133 1.00 0.45 C ATOM 365 C1' DC A 12 0.270 -5.683 8.570 1.00 0.41 C ATOM 366 N1 DC A 12 -0.355 -6.618 9.531 1.00 0.32 N ATOM 367 C2 DC A 12 0.438 -7.098 10.564 1.00 0.28 C ATOM 368 O2 DC A 12 1.620 -6.769 10.642 1.00 0.30 O ATOM 369 N3 DC A 12 -0.127 -7.938 11.473 1.00 0.21 N ATOM 370 C4 DC A 12 -1.415 -8.292 11.378 1.00 0.18 C ATOM 371 N4 DC A 12 -1.939 -9.113 12.290 1.00 0.14 N ATOM 372 C5 DC A 12 -2.234 -7.802 10.313 1.00 0.23 C ATOM 373 C6 DC A 12 -1.665 -6.974 9.417 1.00 0.30 C ATOM 0 H5' DC A 12 -2.133 -2.571 7.899 1.00 0.49 H new ATOM 0 H5'' DC A 12 -1.908 -2.754 6.171 1.00 0.49 H new ATOM 0 H4' DC A 12 0.192 -2.903 7.253 1.00 0.50 H new ATOM 0 H3' DC A 12 -0.710 -4.906 5.507 1.00 0.51 H new ATOM 0 H2' DC A 12 -0.885 -6.686 7.035 1.00 0.45 H new ATOM 0 H2'' DC A 12 0.847 -6.765 6.783 1.00 0.45 H new ATOM 0 H1' DC A 12 1.333 -5.682 8.811 1.00 0.41 H new ATOM 0 H41 DC A 12 -2.919 -9.388 12.226 1.00 0.14 H new ATOM 0 H42 DC A 12 -1.359 -9.466 13.052 1.00 0.14 H new ATOM 0 H5 DC A 12 -3.273 -8.086 10.230 1.00 0.23 H new ATOM 0 H6 DC A 12 -2.254 -6.587 8.598 1.00 0.30 H new ATOM 385 P DG A 13 1.731 -5.235 4.390 1.00 0.63 P ATOM 386 OP1 DG A 13 2.137 -4.170 3.446 1.00 0.70 O ATOM 387 OP2 DG A 13 0.701 -6.220 3.988 1.00 0.60 O ATOM 388 O5' DG A 13 3.051 -6.044 4.835 1.00 0.66 O ATOM 389 C5' DG A 13 4.246 -5.343 5.192 1.00 0.73 C ATOM 390 C4' DG A 13 5.292 -6.276 5.803 1.00 0.74 C ATOM 391 O4' DG A 13 4.737 -7.005 6.928 1.00 0.63 O ATOM 392 C3' DG A 13 5.772 -7.313 4.796 1.00 0.81 C ATOM 393 O3' DG A 13 7.176 -7.555 4.942 1.00 0.88 O ATOM 394 C2' DG A 13 4.978 -8.540 5.135 1.00 0.74 C ATOM 395 C1' DG A 13 4.728 -8.422 6.629 1.00 0.63 C ATOM 396 N9 DG A 13 3.449 -9.045 7.063 1.00 0.54 N ATOM 397 C8 DG A 13 2.231 -9.120 6.447 1.00 0.54 C ATOM 398 N7 DG A 13 1.266 -9.675 7.101 1.00 0.48 N ATOM 399 C5 DG A 13 1.892 -10.024 8.300 1.00 0.43 C ATOM 400 C6 DG A 13 1.360 -10.674 9.446 1.00 0.40 C ATOM 401 O6 DG A 13 0.212 -11.064 9.637 1.00 0.41 O ATOM 402 N1 DG A 13 2.324 -10.841 10.433 1.00 0.38 N ATOM 403 C2 DG A 13 3.638 -10.434 10.336 1.00 0.38 C ATOM 404 N2 DG A 13 4.415 -10.690 11.390 1.00 0.37 N ATOM 405 N3 DG A 13 4.146 -9.819 9.263 1.00 0.43 N ATOM 406 C4 DG A 13 3.225 -9.646 8.285 1.00 0.46 C ATOM 0 H5' DG A 13 4.005 -4.553 5.903 1.00 0.73 H new ATOM 0 H5'' DG A 13 4.662 -4.860 4.308 1.00 0.73 H new ATOM 0 H4' DG A 13 6.122 -5.643 6.118 1.00 0.74 H new ATOM 0 H3' DG A 13 5.630 -6.994 3.764 1.00 0.81 H new ATOM 0 H2' DG A 13 4.043 -8.576 4.576 1.00 0.74 H new ATOM 0 H2'' DG A 13 5.528 -9.450 4.894 1.00 0.74 H new ATOM 0 HO3' DG A 13 7.462 -8.225 4.287 1.00 0.88 H new ATOM 0 H1' DG A 13 5.502 -8.963 7.174 1.00 0.63 H new ATOM 0 H8 DG A 13 2.082 -8.730 5.451 1.00 0.54 H new ATOM 0 H1 DG A 13 2.037 -11.301 11.297 1.00 0.38 H new ATOM 0 H21 DG A 13 5.397 -10.413 11.379 1.00 0.37 H new ATOM 0 H22 DG A 13 4.027 -11.162 12.207 1.00 0.37 H new TER 419 DG A 13 CONECT 166 190 CONECT 190 166 191 192 193 CONECT 191 190 CONECT 192 190 CONECT 193 190 194 CONECT 194 193 195 215 216 CONECT 195 194 196 197 217 CONECT 196 195 200 CONECT 197 195 198 199 218 CONECT 198 197 230 CONECT 199 197 200 219 220 CONECT 200 196 199 201 221 CONECT 201 200 202 211 CONECT 202 201 203 222 CONECT 203 202 204 CONECT 204 203 205 211 CONECT 205 204 206 207 CONECT 206 205 CONECT 207 205 208 214 CONECT 208 207 209 210 CONECT 209 208 212 223 CONECT 210 208 211 CONECT 211 201 204 210 CONECT 212 209 213 224 225 CONECT 213 212 214 226 227 CONECT 214 207 213 228 229 CONECT 215 194 CONECT 216 194 CONECT 217 195 CONECT 218 197 CONECT 219 199 CONECT 220 199 CONECT 221 200 CONECT 222 202 CONECT 223 209 CONECT 224 212 CONECT 225 212 CONECT 226 213 CONECT 227 213 CONECT 228 214 CONECT 229 214 CONECT 230 198 END