USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 288 hydrogens (18 hets) HEADER DNA 13-NOV-08 2KAS TITLE HNE-DG ADDUCT MISMATCHED WITH DA IN BASIC SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'- COMPND 3 D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'- COMPND 8 D(*DGP*DGP*DAP*DCP*DTP*DAP*DGP*DCP*DTP*DAP*DGP*DC)-3'; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE DNA OLIGOMER IS CHEMICALLY SYNTHESIZED.; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: THE DNA OLIGOMER IS CHEMICALLY SYNTHESIZED. KEYWDS HNE-DG, MISMATCH, HYDROXYNONENAL, DNA EXPDTA SOLUTION NMR AUTHOR H.HUANG,H.WANG,R.S.LLOYD,C.J.RIZZO,M.P.STONE REVDAT 1 26-MAY-09 2KAS 0 JRNL AUTH H.HUANG,H.WANG,R.S.LLOYD,C.J.RIZZO,M.P.STONE JRNL TITL CONFORMATIONAL INTERCONVERSION OF THE JRNL TITL 2 TRANS-4-HYDROXYNONENAL-DERIVED (6S,8R,11S) JRNL TITL 3 1,N(2)-DEOXYGUANOSINE ADDUCT WHEN MISMATCHED WITH JRNL TITL 4 DEOXYADENOSINE IN DNA JRNL REF CHEM.RES.TOXICOL. V. 22 187 2009 JRNL REFN ISSN 0893-228X JRNL PMID 19053179 JRNL DOI 10.1021/TX800320M REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2KAS COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-08. REMARK 100 THE RCSB ID CODE IS RCSB100890. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 8.9 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0 MM DNA (5'-D(*DGP*DCP* REMARK 210 DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3'), 1.0 MM DNA (5'- REMARK 210 D(*DGP*DGP*DAP*DCP*DTP*DAP*DGP*DCP*DTP*DAP*DGP*DC)-3'), 1.0 MM REMARK 210 (2E,4R)-4-HYDROXYNON-2-ENAL, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE REMARK 210 WITH EXPERIMENTAL NOESY REMARK 210 SPECTRUM 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 2 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 2 N3 - C2 - O2 ANGL. DEV. = -5.3 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 4 C4 - C5 - C6 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA A 4 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 4 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC A 6 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 7 C6 - N1 - C2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DG A 7 N3 - C2 - N2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA A 8 C4 - C5 - C6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 8 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 8 N1 - C6 - N6 ANGL. DEV. = -6.1 DEGREES REMARK 500 DT A 10 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DC A 11 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DC A 11 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC A 12 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 15 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA B 15 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 15 N1 - C6 - N6 ANGL. DEV. = -4.3 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC B 16 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT B 17 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA B 18 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DA B 18 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA B 18 C5 - C6 - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA B 18 N1 - C6 - N6 ANGL. DEV. = -5.6 DEGREES REMARK 500 DT B 17 C3' - O3' - P ANGL. DEV. = 7.4 DEGREES REMARK 500 DC B 20 N1 - C2 - O2 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC B 20 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT B 21 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT B 21 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA B 22 C4 - C5 - C6 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 22 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 22 N1 - C6 - N6 ANGL. DEV. = -4.7 DEGREES REMARK 500 DC B 24 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 24 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 THE LIGAND HND FORMS TWO COVALENT BONDS WITH THE DEOXY-GUANINE REMARK 600 AT POSITION 7 OF CHAIN A. THIS LIGAND IS FORMED BY CHEMICAL REMARK 600 REACTION OF ANOTHER LIGAND HNE. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HND A 25 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2KAR RELATED DB: PDB DBREF 2KAS A 1 12 PDB 2KAS 2KAS 1 12 DBREF 2KAS B 13 24 PDB 2KAS 2KAS 13 24 SEQRES 1 A 12 DG DC DT DA DG DC DG DA DG DT DC DC SEQRES 1 B 12 DG DG DA DC DT DA DG DC DT DA DG DC HET HND A 25 29 HETNAM HND (4S)-NONANE-1,4-DIOL FORMUL 3 HND C9 H20 O2 LINK N2 DG A 7 C3 HND A 25 1555 1555 1.45 LINK N1 DG A 7 C1 HND A 25 1555 1555 1.49 SITE *** AC1 5 DG A 7 DA A 8 DG A 9 DA B 18 SITE *** AC1 5 DG B 19 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 NoAdj-H: A 7 DG H1 : A 7 DG N1 : A 25 HND C1 :(H bumps) USER MOD NoAdj-H: A 7 DG H22 : A 7 DG N2 : A 25 HND C3 :(H bumps) USER MOD NoAdj-H: A 25 HND H3A : A 25 HND C3 : A 7 DG N2 :(H bumps) USER MOD NoAdj-H: A 25 HND H1A : A 25 HND C1 : A 7 DG N1 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 HND O10 : rot 180:sc= 0.0507 USER MOD Single : A 25 HND O11 : rot 56:sc= 2.38 USER MOD Single : B 13 DG O5' : rot 180:sc= 0 USER MOD Single : B 17 DT C7 :methyl -30:sc=-0.00613 (180deg=-0.0966) USER MOD Single : B 21 DT C7 :methyl 150:sc= -0.0148 (180deg=-0.0148) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 4.869 -11.968 -1.380 1.00 0.00 O ATOM 2 C5' DG A 1 5.222 -11.775 0.008 1.00 0.00 C ATOM 3 C4' DG A 1 6.300 -10.680 0.154 1.00 0.00 C ATOM 4 O4' DG A 1 5.749 -9.404 -0.163 1.00 0.00 O ATOM 5 C3' DG A 1 6.836 -10.570 1.592 1.00 0.00 C ATOM 6 O3' DG A 1 8.182 -10.108 1.536 1.00 0.00 O ATOM 7 C2' DG A 1 5.834 -9.589 2.216 1.00 0.00 C ATOM 8 C1' DG A 1 5.402 -8.710 1.030 1.00 0.00 C ATOM 9 N9 DG A 1 3.952 -8.382 1.014 1.00 0.00 N ATOM 10 C8 DG A 1 2.873 -9.147 1.402 1.00 0.00 C ATOM 11 N7 DG A 1 1.712 -8.575 1.226 1.00 0.00 N ATOM 12 C5 DG A 1 2.041 -7.320 0.693 1.00 0.00 C ATOM 13 C6 DG A 1 1.218 -6.212 0.277 1.00 0.00 C ATOM 14 O6 DG A 1 -0.011 -6.112 0.263 1.00 0.00 O ATOM 15 N1 DG A 1 1.944 -5.129 -0.177 1.00 0.00 N ATOM 16 C2 DG A 1 3.298 -5.106 -0.246 1.00 0.00 C ATOM 17 N2 DG A 1 3.858 -4.016 -0.691 1.00 0.00 N ATOM 18 N3 DG A 1 4.099 -6.108 0.105 1.00 0.00 N ATOM 19 C4 DG A 1 3.411 -7.194 0.572 1.00 0.00 C ATOM 0 H5' DG A 1 5.590 -12.711 0.428 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.335 -11.497 0.578 1.00 0.00 H new ATOM 0 H4' DG A 1 7.107 -10.962 -0.523 1.00 0.00 H new ATOM 0 H3' DG A 1 6.894 -11.488 2.176 1.00 0.00 H new ATOM 0 H2' DG A 1 4.985 -10.110 2.659 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.293 -8.997 3.008 1.00 0.00 H new ATOM 0 HO5' DG A 1 4.186 -12.667 -1.450 1.00 0.00 H new ATOM 0 H1' DG A 1 5.916 -7.753 1.119 1.00 0.00 H new ATOM 0 H8 DG A 1 2.979 -10.138 1.818 1.00 0.00 H new ATOM 0 H1 DG A 1 1.433 -4.299 -0.478 1.00 0.00 H new ATOM 0 H21 DG A 1 4.874 -3.956 -0.759 1.00 0.00 H new ATOM 0 H22 DG A 1 3.280 -3.223 -0.971 1.00 0.00 H new ATOM 32 P DC A 2 9.040 -9.690 2.835 1.00 0.00 P ATOM 33 OP1 DC A 2 10.476 -9.901 2.522 1.00 0.00 O ATOM 34 OP2 DC A 2 8.464 -10.344 4.037 1.00 0.00 O ATOM 35 O5' DC A 2 8.758 -8.105 2.920 1.00 0.00 O ATOM 36 C5' DC A 2 9.191 -7.236 1.877 1.00 0.00 C ATOM 37 C4' DC A 2 8.722 -5.782 2.063 1.00 0.00 C ATOM 38 O4' DC A 2 7.308 -5.694 1.929 1.00 0.00 O ATOM 39 C3' DC A 2 9.126 -5.168 3.419 1.00 0.00 C ATOM 40 O3' DC A 2 9.938 -4.021 3.187 1.00 0.00 O ATOM 41 C2' DC A 2 7.768 -4.846 4.057 1.00 0.00 C ATOM 42 C1' DC A 2 6.828 -4.731 2.849 1.00 0.00 C ATOM 43 N1 DC A 2 5.404 -5.037 3.171 1.00 0.00 N ATOM 44 C2 DC A 2 4.401 -4.103 2.870 1.00 0.00 C ATOM 45 O2 DC A 2 4.646 -2.989 2.403 1.00 0.00 O ATOM 46 N3 DC A 2 3.096 -4.394 3.093 1.00 0.00 N ATOM 47 C4 DC A 2 2.792 -5.570 3.599 1.00 0.00 C ATOM 48 N4 DC A 2 1.524 -5.816 3.746 1.00 0.00 N ATOM 49 C5 DC A 2 3.756 -6.554 3.939 1.00 0.00 C ATOM 50 C6 DC A 2 5.058 -6.252 3.712 1.00 0.00 C ATOM 0 H5' DC A 2 8.820 -7.611 0.923 1.00 0.00 H new ATOM 0 H5'' DC A 2 10.280 -7.256 1.825 1.00 0.00 H new ATOM 0 H4' DC A 2 9.224 -5.212 1.282 1.00 0.00 H new ATOM 0 H3' DC A 2 9.724 -5.808 4.068 1.00 0.00 H new ATOM 0 H2' DC A 2 7.449 -5.632 4.742 1.00 0.00 H new ATOM 0 H2'' DC A 2 7.802 -3.919 4.630 1.00 0.00 H new ATOM 0 H1' DC A 2 6.831 -3.708 2.473 1.00 0.00 H new ATOM 0 H41 DC A 2 1.219 -6.709 4.133 1.00 0.00 H new ATOM 0 H42 DC A 2 0.834 -5.116 3.474 1.00 0.00 H new ATOM 0 H5 DC A 2 3.465 -7.504 4.361 1.00 0.00 H new ATOM 0 H6 DC A 2 5.827 -6.970 3.957 1.00 0.00 H new ATOM 62 P DT A 3 10.643 -3.188 4.380 1.00 0.00 P ATOM 63 OP1 DT A 3 11.823 -2.490 3.812 1.00 0.00 O ATOM 64 OP2 DT A 3 10.833 -4.081 5.551 1.00 0.00 O ATOM 65 O5' DT A 3 9.531 -2.087 4.757 1.00 0.00 O ATOM 66 C5' DT A 3 9.150 -1.084 3.822 1.00 0.00 C ATOM 67 C4' DT A 3 7.848 -0.373 4.225 1.00 0.00 C ATOM 68 O4' DT A 3 6.757 -1.280 4.231 1.00 0.00 O ATOM 69 C3' DT A 3 7.886 0.302 5.610 1.00 0.00 C ATOM 70 O3' DT A 3 8.103 1.702 5.469 1.00 0.00 O ATOM 71 C2' DT A 3 6.506 -0.036 6.193 1.00 0.00 C ATOM 72 C1' DT A 3 5.753 -0.693 5.033 1.00 0.00 C ATOM 73 N1 DT A 3 4.780 -1.709 5.513 1.00 0.00 N ATOM 74 C2 DT A 3 3.416 -1.404 5.448 1.00 0.00 C ATOM 75 O2 DT A 3 2.966 -0.327 5.057 1.00 0.00 O ATOM 76 N3 DT A 3 2.547 -2.378 5.873 1.00 0.00 N ATOM 77 C4 DT A 3 2.896 -3.595 6.409 1.00 0.00 C ATOM 78 O4 DT A 3 2.000 -4.368 6.739 1.00 0.00 O ATOM 79 C5 DT A 3 4.338 -3.823 6.525 1.00 0.00 C ATOM 80 C7 DT A 3 4.866 -5.102 7.153 1.00 0.00 C ATOM 81 C6 DT A 3 5.219 -2.890 6.078 1.00 0.00 C ATOM 0 H5' DT A 3 9.024 -1.537 2.838 1.00 0.00 H new ATOM 0 H5'' DT A 3 9.950 -0.349 3.735 1.00 0.00 H new ATOM 0 H4' DT A 3 7.727 0.406 3.473 1.00 0.00 H new ATOM 0 H3' DT A 3 8.694 -0.039 6.258 1.00 0.00 H new ATOM 0 H2' DT A 3 6.589 -0.710 7.045 1.00 0.00 H new ATOM 0 H2'' DT A 3 5.993 0.859 6.544 1.00 0.00 H new ATOM 0 H1' DT A 3 5.159 0.033 4.477 1.00 0.00 H new ATOM 0 H3 DT A 3 1.550 -2.181 5.783 1.00 0.00 H new ATOM 0 H71 DT A 3 5.828 -5.356 6.708 1.00 0.00 H new ATOM 0 H72 DT A 3 4.990 -4.956 8.226 1.00 0.00 H new ATOM 0 H73 DT A 3 4.159 -5.913 6.976 1.00 0.00 H new ATOM 0 H6 DT A 3 6.279 -3.075 6.166 1.00 0.00 H new ATOM 94 P DA A 4 8.250 2.699 6.733 1.00 0.00 P ATOM 95 OP1 DA A 4 9.111 3.833 6.318 1.00 0.00 O ATOM 96 OP2 DA A 4 8.634 1.912 7.932 1.00 0.00 O ATOM 97 O5' DA A 4 6.753 3.254 6.961 1.00 0.00 O ATOM 98 C5' DA A 4 6.084 3.993 5.943 1.00 0.00 C ATOM 99 C4' DA A 4 4.711 4.544 6.376 1.00 0.00 C ATOM 100 O4' DA A 4 3.782 3.484 6.572 1.00 0.00 O ATOM 101 C3' DA A 4 4.772 5.380 7.667 1.00 0.00 C ATOM 102 O3' DA A 4 3.934 6.523 7.527 1.00 0.00 O ATOM 103 C2' DA A 4 4.282 4.382 8.720 1.00 0.00 C ATOM 104 C1' DA A 4 3.328 3.486 7.918 1.00 0.00 C ATOM 105 N9 DA A 4 3.292 2.078 8.382 1.00 0.00 N ATOM 106 C8 DA A 4 4.343 1.241 8.682 1.00 0.00 C ATOM 107 N7 DA A 4 3.999 0.001 8.927 1.00 0.00 N ATOM 108 C5 DA A 4 2.598 0.044 8.822 1.00 0.00 C ATOM 109 C6 DA A 4 1.553 -0.904 8.962 1.00 0.00 C ATOM 110 N6 DA A 4 1.722 -2.182 9.243 1.00 0.00 N ATOM 111 N1 DA A 4 0.276 -0.549 8.817 1.00 0.00 N ATOM 112 C2 DA A 4 0.005 0.715 8.522 1.00 0.00 C ATOM 113 N3 DA A 4 0.867 1.709 8.343 1.00 0.00 N ATOM 114 C4 DA A 4 2.160 1.305 8.509 1.00 0.00 C ATOM 0 H5' DA A 4 5.950 3.353 5.071 1.00 0.00 H new ATOM 0 H5'' DA A 4 6.718 4.824 5.634 1.00 0.00 H new ATOM 0 H4' DA A 4 4.387 5.196 5.565 1.00 0.00 H new ATOM 0 H3' DA A 4 5.751 5.785 7.924 1.00 0.00 H new ATOM 0 H2' DA A 4 5.105 3.813 9.152 1.00 0.00 H new ATOM 0 H2'' DA A 4 3.772 4.881 9.544 1.00 0.00 H new ATOM 0 H1' DA A 4 2.323 3.889 8.041 1.00 0.00 H new ATOM 0 H8 DA A 4 5.368 1.579 8.713 1.00 0.00 H new ATOM 0 H61 DA A 4 0.913 -2.797 9.326 1.00 0.00 H new ATOM 0 H62 DA A 4 2.662 -2.555 9.377 1.00 0.00 H new ATOM 0 H2 DA A 4 -1.040 0.966 8.415 1.00 0.00 H new ATOM 126 P DG A 5 3.915 7.725 8.603 1.00 0.00 P ATOM 127 OP1 DG A 5 3.516 8.965 7.891 1.00 0.00 O ATOM 128 OP2 DG A 5 5.191 7.718 9.361 1.00 0.00 O ATOM 129 O5' DG A 5 2.731 7.305 9.609 1.00 0.00 O ATOM 130 C5' DG A 5 1.365 7.401 9.219 1.00 0.00 C ATOM 131 C4' DG A 5 0.398 6.846 10.282 1.00 0.00 C ATOM 132 O4' DG A 5 0.463 5.423 10.297 1.00 0.00 O ATOM 133 C3' DG A 5 0.687 7.357 11.711 1.00 0.00 C ATOM 134 O3' DG A 5 -0.531 7.775 12.322 1.00 0.00 O ATOM 135 C2' DG A 5 1.279 6.106 12.367 1.00 0.00 C ATOM 136 C1' DG A 5 0.496 5.002 11.648 1.00 0.00 C ATOM 137 N9 DG A 5 1.102 3.653 11.750 1.00 0.00 N ATOM 138 C8 DG A 5 2.430 3.299 11.750 1.00 0.00 C ATOM 139 N7 DG A 5 2.647 2.014 11.848 1.00 0.00 N ATOM 140 C5 DG A 5 1.357 1.472 11.947 1.00 0.00 C ATOM 141 C6 DG A 5 0.902 0.114 12.113 1.00 0.00 C ATOM 142 O6 DG A 5 1.559 -0.924 12.192 1.00 0.00 O ATOM 143 N1 DG A 5 -0.470 -0.005 12.181 1.00 0.00 N ATOM 144 C2 DG A 5 -1.321 1.046 12.112 1.00 0.00 C ATOM 145 N2 DG A 5 -2.595 0.780 12.200 1.00 0.00 N ATOM 146 N3 DG A 5 -0.953 2.317 11.967 1.00 0.00 N ATOM 147 C4 DG A 5 0.407 2.470 11.888 1.00 0.00 C ATOM 0 H5' DG A 5 1.220 6.859 8.285 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.121 8.445 9.023 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.593 7.201 9.999 1.00 0.00 H new ATOM 0 H3' DG A 5 1.349 8.220 11.780 1.00 0.00 H new ATOM 0 H2' DG A 5 2.353 6.023 12.203 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.119 6.090 13.445 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.487 4.884 12.105 1.00 0.00 H new ATOM 0 H8 DG A 5 3.228 4.023 11.675 1.00 0.00 H new ATOM 0 H1 DG A 5 -0.867 -0.938 12.290 1.00 0.00 H new ATOM 0 H21 DG A 5 -3.278 1.536 12.154 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.908 -0.184 12.315 1.00 0.00 H new ATOM 159 P DC A 6 -0.587 8.568 13.730 1.00 0.00 P ATOM 160 OP1 DC A 6 -1.332 9.834 13.515 1.00 0.00 O ATOM 161 OP2 DC A 6 0.770 8.627 14.328 1.00 0.00 O ATOM 162 O5' DC A 6 -1.484 7.587 14.639 1.00 0.00 O ATOM 163 C5' DC A 6 -2.871 7.405 14.366 1.00 0.00 C ATOM 164 C4' DC A 6 -3.480 6.208 15.119 1.00 0.00 C ATOM 165 O4' DC A 6 -2.813 5.019 14.701 1.00 0.00 O ATOM 166 C3' DC A 6 -3.369 6.320 16.656 1.00 0.00 C ATOM 167 O3' DC A 6 -4.548 5.898 17.328 1.00 0.00 O ATOM 168 C2' DC A 6 -2.237 5.347 16.971 1.00 0.00 C ATOM 169 C1' DC A 6 -2.381 4.308 15.847 1.00 0.00 C ATOM 170 N1 DC A 6 -1.118 3.574 15.543 1.00 0.00 N ATOM 171 C2 DC A 6 -1.138 2.173 15.477 1.00 0.00 C ATOM 172 O2 DC A 6 -2.182 1.524 15.572 1.00 0.00 O ATOM 173 N3 DC A 6 0.009 1.469 15.315 1.00 0.00 N ATOM 174 C4 DC A 6 1.142 2.131 15.224 1.00 0.00 C ATOM 175 N4 DC A 6 2.214 1.407 15.099 1.00 0.00 N ATOM 176 C5 DC A 6 1.227 3.549 15.220 1.00 0.00 C ATOM 177 C6 DC A 6 0.071 4.242 15.372 1.00 0.00 C ATOM 0 H5' DC A 6 -3.009 7.261 13.294 1.00 0.00 H new ATOM 0 H5'' DC A 6 -3.411 8.312 14.638 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.543 6.190 14.877 1.00 0.00 H new ATOM 0 H3' DC A 6 -3.206 7.349 16.978 1.00 0.00 H new ATOM 0 H2' DC A 6 -1.263 5.836 16.952 1.00 0.00 H new ATOM 0 H2'' DC A 6 -2.349 4.898 17.958 1.00 0.00 H new ATOM 0 H1' DC A 6 -3.090 3.542 16.162 1.00 0.00 H new ATOM 0 H41 DC A 6 3.127 1.856 15.023 1.00 0.00 H new ATOM 0 H42 DC A 6 2.143 0.390 15.077 1.00 0.00 H new ATOM 0 H5 DC A 6 2.174 4.055 15.101 1.00 0.00 H new ATOM 0 H6 DC A 6 0.085 5.322 15.359 1.00 0.00 H new ATOM 189 P DG A 7 -5.793 6.897 17.542 1.00 0.00 P ATOM 190 OP1 DG A 7 -6.409 7.191 16.224 1.00 0.00 O ATOM 191 OP2 DG A 7 -5.336 8.025 18.389 1.00 0.00 O ATOM 192 O5' DG A 7 -6.820 6.012 18.413 1.00 0.00 O ATOM 193 C5' DG A 7 -7.505 4.896 17.850 1.00 0.00 C ATOM 194 C4' DG A 7 -7.381 3.632 18.721 1.00 0.00 C ATOM 195 O4' DG A 7 -6.021 3.201 18.775 1.00 0.00 O ATOM 196 C3' DG A 7 -7.887 3.821 20.168 1.00 0.00 C ATOM 197 O3' DG A 7 -8.792 2.769 20.490 1.00 0.00 O ATOM 198 C2' DG A 7 -6.587 3.760 20.976 1.00 0.00 C ATOM 199 C1' DG A 7 -5.723 2.840 20.113 1.00 0.00 C ATOM 200 N9 DG A 7 -4.281 3.003 20.414 1.00 0.00 N ATOM 201 C8 DG A 7 -3.526 4.150 20.414 1.00 0.00 C ATOM 202 N7 DG A 7 -2.297 3.983 20.831 1.00 0.00 N ATOM 203 C5 DG A 7 -2.227 2.607 21.116 1.00 0.00 C ATOM 204 C6 DG A 7 -1.154 1.792 21.629 1.00 0.00 C ATOM 205 O6 DG A 7 -0.045 2.198 22.002 1.00 0.00 O ATOM 206 N1 DG A 7 -1.451 0.416 21.691 1.00 0.00 N ATOM 207 C2 DG A 7 -2.726 -0.047 21.419 1.00 0.00 C ATOM 208 N2 DG A 7 -3.008 -1.329 21.486 1.00 0.00 N ATOM 209 N3 DG A 7 -3.757 0.699 21.018 1.00 0.00 N ATOM 210 C4 DG A 7 -3.438 2.010 20.857 1.00 0.00 C ATOM 0 H5' DG A 7 -7.105 4.691 16.857 1.00 0.00 H new ATOM 0 H5'' DG A 7 -8.559 5.145 17.724 1.00 0.00 H new ATOM 0 H4' DG A 7 -8.015 2.885 18.244 1.00 0.00 H new ATOM 0 H3' DG A 7 -8.440 4.741 20.355 1.00 0.00 H new ATOM 0 H2' DG A 7 -6.137 4.745 21.101 1.00 0.00 H new ATOM 0 H2'' DG A 7 -6.745 3.353 21.975 1.00 0.00 H new ATOM 0 H1' DG A 7 -5.938 1.789 20.305 1.00 0.00 H new ATOM 0 H8 DG A 7 -3.913 5.107 20.097 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.953 -1.655 21.283 1.00 0.00 H new ATOM 220 P DA A 8 -9.601 2.698 21.887 1.00 0.00 P ATOM 221 OP1 DA A 8 -10.987 2.260 21.584 1.00 0.00 O ATOM 222 OP2 DA A 8 -9.401 3.961 22.640 1.00 0.00 O ATOM 223 O5' DA A 8 -8.852 1.512 22.684 1.00 0.00 O ATOM 224 C5' DA A 8 -8.932 0.164 22.228 1.00 0.00 C ATOM 225 C4' DA A 8 -8.230 -0.848 23.154 1.00 0.00 C ATOM 226 O4' DA A 8 -6.818 -0.665 23.102 1.00 0.00 O ATOM 227 C3' DA A 8 -8.673 -0.757 24.632 1.00 0.00 C ATOM 228 O3' DA A 8 -8.907 -2.076 25.125 1.00 0.00 O ATOM 229 C2' DA A 8 -7.457 -0.080 25.270 1.00 0.00 C ATOM 230 C1' DA A 8 -6.334 -0.687 24.431 1.00 0.00 C ATOM 231 N9 DA A 8 -5.066 0.064 24.540 1.00 0.00 N ATOM 232 C8 DA A 8 -4.828 1.406 24.352 1.00 0.00 C ATOM 233 N7 DA A 8 -3.591 1.773 24.583 1.00 0.00 N ATOM 234 C5 DA A 8 -2.979 0.568 24.974 1.00 0.00 C ATOM 235 C6 DA A 8 -1.679 0.180 25.382 1.00 0.00 C ATOM 236 N6 DA A 8 -0.626 0.968 25.470 1.00 0.00 N ATOM 237 N1 DA A 8 -1.395 -1.087 25.685 1.00 0.00 N ATOM 238 C2 DA A 8 -2.363 -1.985 25.595 1.00 0.00 C ATOM 239 N3 DA A 8 -3.620 -1.784 25.224 1.00 0.00 N ATOM 240 C4 DA A 8 -3.866 -0.475 24.930 1.00 0.00 C ATOM 0 H5' DA A 8 -8.490 0.100 21.234 1.00 0.00 H new ATOM 0 H5'' DA A 8 -9.981 -0.115 22.129 1.00 0.00 H new ATOM 0 H4' DA A 8 -8.520 -1.831 22.783 1.00 0.00 H new ATOM 0 H3' DA A 8 -9.597 -0.212 24.828 1.00 0.00 H new ATOM 0 H2' DA A 8 -7.496 1.006 25.188 1.00 0.00 H new ATOM 0 H2'' DA A 8 -7.358 -0.317 26.329 1.00 0.00 H new ATOM 0 H1' DA A 8 -6.095 -1.693 24.777 1.00 0.00 H new ATOM 0 H8 DA A 8 -5.596 2.099 24.040 1.00 0.00 H new ATOM 0 H61 DA A 8 0.270 0.589 25.776 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.708 1.957 25.232 1.00 0.00 H new ATOM 0 H2 DA A 8 -2.098 -3.000 25.854 1.00 0.00 H new ATOM 252 P DG A 9 -9.388 -2.388 26.635 1.00 0.00 P ATOM 253 OP1 DG A 9 -10.359 -3.509 26.580 1.00 0.00 O ATOM 254 OP2 DG A 9 -9.799 -1.123 27.295 1.00 0.00 O ATOM 255 O5' DG A 9 -8.039 -2.912 27.349 1.00 0.00 O ATOM 256 C5' DG A 9 -7.457 -4.164 26.990 1.00 0.00 C ATOM 257 C4' DG A 9 -6.312 -4.602 27.925 1.00 0.00 C ATOM 258 O4' DG A 9 -5.149 -3.815 27.679 1.00 0.00 O ATOM 259 C3' DG A 9 -6.670 -4.495 29.422 1.00 0.00 C ATOM 260 O3' DG A 9 -6.249 -5.672 30.105 1.00 0.00 O ATOM 261 C2' DG A 9 -5.900 -3.240 29.835 1.00 0.00 C ATOM 262 C1' DG A 9 -4.683 -3.277 28.905 1.00 0.00 C ATOM 263 N9 DG A 9 -4.117 -1.926 28.680 1.00 0.00 N ATOM 264 C8 DG A 9 -4.777 -0.777 28.317 1.00 0.00 C ATOM 265 N7 DG A 9 -4.015 0.281 28.230 1.00 0.00 N ATOM 266 C5 DG A 9 -2.741 -0.209 28.551 1.00 0.00 C ATOM 267 C6 DG A 9 -1.458 0.443 28.617 1.00 0.00 C ATOM 268 O6 DG A 9 -1.176 1.626 28.417 1.00 0.00 O ATOM 269 N1 DG A 9 -0.422 -0.412 28.933 1.00 0.00 N ATOM 270 C2 DG A 9 -0.581 -1.739 29.150 1.00 0.00 C ATOM 271 N2 DG A 9 0.494 -2.429 29.412 1.00 0.00 N ATOM 272 N3 DG A 9 -1.746 -2.383 29.134 1.00 0.00 N ATOM 273 C4 DG A 9 -2.795 -1.563 28.817 1.00 0.00 C ATOM 0 H5' DG A 9 -7.078 -4.100 25.970 1.00 0.00 H new ATOM 0 H5'' DG A 9 -8.232 -4.930 26.994 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.128 -5.653 27.703 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.733 -4.418 29.650 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.492 -2.336 29.693 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.609 -3.269 30.885 1.00 0.00 H new ATOM 0 H1' DG A 9 -3.886 -3.875 29.346 1.00 0.00 H new ATOM 0 H8 DG A 9 -5.838 -0.750 28.120 1.00 0.00 H new ATOM 0 H1 DG A 9 0.518 -0.022 29.007 1.00 0.00 H new ATOM 0 H21 DG A 9 0.427 -3.432 29.583 1.00 0.00 H new ATOM 0 H22 DG A 9 1.402 -1.965 29.446 1.00 0.00 H new ATOM 285 P DT A 10 -6.513 -5.914 31.680 1.00 0.00 P ATOM 286 OP1 DT A 10 -6.737 -7.366 31.889 1.00 0.00 O ATOM 287 OP2 DT A 10 -7.538 -4.955 32.162 1.00 0.00 O ATOM 288 O5' DT A 10 -5.101 -5.512 32.343 1.00 0.00 O ATOM 289 C5' DT A 10 -3.935 -6.293 32.102 1.00 0.00 C ATOM 290 C4' DT A 10 -2.690 -5.750 32.828 1.00 0.00 C ATOM 291 O4' DT A 10 -2.292 -4.519 32.231 1.00 0.00 O ATOM 292 C3' DT A 10 -2.908 -5.519 34.339 1.00 0.00 C ATOM 293 O3' DT A 10 -1.824 -6.088 35.068 1.00 0.00 O ATOM 294 C2' DT A 10 -2.966 -3.991 34.410 1.00 0.00 C ATOM 295 C1' DT A 10 -2.038 -3.579 33.257 1.00 0.00 C ATOM 296 N1 DT A 10 -2.267 -2.200 32.739 1.00 0.00 N ATOM 297 C2 DT A 10 -1.155 -1.368 32.542 1.00 0.00 C ATOM 298 O2 DT A 10 0.009 -1.706 32.752 1.00 0.00 O ATOM 299 N3 DT A 10 -1.404 -0.091 32.093 1.00 0.00 N ATOM 300 C4 DT A 10 -2.643 0.442 31.828 1.00 0.00 C ATOM 301 O4 DT A 10 -2.709 1.601 31.425 1.00 0.00 O ATOM 302 C5 DT A 10 -3.763 -0.472 32.046 1.00 0.00 C ATOM 303 C7 DT A 10 -5.191 -0.012 31.800 1.00 0.00 C ATOM 304 C6 DT A 10 -3.543 -1.743 32.472 1.00 0.00 C ATOM 0 H5' DT A 10 -3.740 -6.324 31.030 1.00 0.00 H new ATOM 0 H5'' DT A 10 -4.118 -7.319 32.423 1.00 0.00 H new ATOM 0 H4' DT A 10 -1.917 -6.512 32.726 1.00 0.00 H new ATOM 0 H3' DT A 10 -3.796 -5.981 34.771 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.980 -3.615 34.272 1.00 0.00 H new ATOM 0 H2'' DT A 10 -2.615 -3.614 35.370 1.00 0.00 H new ATOM 0 H1' DT A 10 -1.007 -3.571 33.611 1.00 0.00 H new ATOM 0 H3 DT A 10 -0.597 0.514 31.943 1.00 0.00 H new ATOM 0 H71 DT A 10 -5.799 -0.862 31.492 1.00 0.00 H new ATOM 0 H72 DT A 10 -5.600 0.413 32.717 1.00 0.00 H new ATOM 0 H73 DT A 10 -5.200 0.744 31.015 1.00 0.00 H new ATOM 0 H6 DT A 10 -4.382 -2.409 32.605 1.00 0.00 H new ATOM 317 P DC A 11 -1.690 -5.995 36.676 1.00 0.00 P ATOM 318 OP1 DC A 11 -1.047 -7.244 37.156 1.00 0.00 O ATOM 319 OP2 DC A 11 -2.993 -5.590 37.262 1.00 0.00 O ATOM 320 O5' DC A 11 -0.649 -4.779 36.855 1.00 0.00 O ATOM 321 C5' DC A 11 0.690 -4.901 36.382 1.00 0.00 C ATOM 322 C4' DC A 11 1.529 -3.623 36.569 1.00 0.00 C ATOM 323 O4' DC A 11 1.012 -2.582 35.746 1.00 0.00 O ATOM 324 C3' DC A 11 1.566 -3.115 38.026 1.00 0.00 C ATOM 325 O3' DC A 11 2.910 -2.843 38.415 1.00 0.00 O ATOM 326 C2' DC A 11 0.706 -1.852 37.943 1.00 0.00 C ATOM 327 C1' DC A 11 0.980 -1.389 36.507 1.00 0.00 C ATOM 328 N1 DC A 11 -0.067 -0.472 35.979 1.00 0.00 N ATOM 329 C2 DC A 11 0.294 0.807 35.536 1.00 0.00 C ATOM 330 O2 DC A 11 1.461 1.202 35.540 1.00 0.00 O ATOM 331 N3 DC A 11 -0.645 1.677 35.097 1.00 0.00 N ATOM 332 C4 DC A 11 -1.903 1.296 35.090 1.00 0.00 C ATOM 333 N4 DC A 11 -2.758 2.171 34.653 1.00 0.00 N ATOM 334 C5 DC A 11 -2.337 0.008 35.505 1.00 0.00 C ATOM 335 C6 DC A 11 -1.386 -0.853 35.946 1.00 0.00 C ATOM 0 H5' DC A 11 0.670 -5.161 35.324 1.00 0.00 H new ATOM 0 H5'' DC A 11 1.177 -5.725 36.904 1.00 0.00 H new ATOM 0 H4' DC A 11 2.548 -3.889 36.287 1.00 0.00 H new ATOM 0 H3' DC A 11 1.199 -3.821 38.771 1.00 0.00 H new ATOM 0 H2' DC A 11 -0.350 -2.063 38.111 1.00 0.00 H new ATOM 0 H2'' DC A 11 1.003 -1.105 38.679 1.00 0.00 H new ATOM 0 H1' DC A 11 1.907 -0.818 36.459 1.00 0.00 H new ATOM 0 H41 DC A 11 -3.751 1.941 34.620 1.00 0.00 H new ATOM 0 H42 DC A 11 -2.436 3.088 34.343 1.00 0.00 H new ATOM 0 H5 DC A 11 -3.379 -0.273 35.471 1.00 0.00 H new ATOM 0 H6 DC A 11 -1.668 -1.843 36.273 1.00 0.00 H new ATOM 347 P DC A 12 3.306 -2.413 39.921 1.00 0.00 P ATOM 348 OP1 DC A 12 4.677 -2.913 40.190 1.00 0.00 O ATOM 349 OP2 DC A 12 2.211 -2.808 40.842 1.00 0.00 O ATOM 350 O5' DC A 12 3.346 -0.801 39.859 1.00 0.00 O ATOM 351 C5' DC A 12 4.456 -0.107 39.298 1.00 0.00 C ATOM 352 C4' DC A 12 4.302 1.426 39.342 1.00 0.00 C ATOM 353 O4' DC A 12 3.412 1.886 38.338 1.00 0.00 O ATOM 354 C3' DC A 12 3.749 1.986 40.663 1.00 0.00 C ATOM 355 O3' DC A 12 4.759 2.128 41.687 1.00 0.00 O ATOM 356 C2' DC A 12 3.250 3.359 40.212 1.00 0.00 C ATOM 357 C1' DC A 12 2.917 3.162 38.722 1.00 0.00 C ATOM 358 N1 DC A 12 1.451 3.242 38.469 1.00 0.00 N ATOM 359 C2 DC A 12 0.911 4.451 38.011 1.00 0.00 C ATOM 360 O2 DC A 12 1.603 5.455 37.837 1.00 0.00 O ATOM 361 N3 DC A 12 -0.411 4.566 37.750 1.00 0.00 N ATOM 362 C4 DC A 12 -1.183 3.521 37.957 1.00 0.00 C ATOM 363 N4 DC A 12 -2.445 3.708 37.702 1.00 0.00 N ATOM 364 C5 DC A 12 -0.710 2.277 38.460 1.00 0.00 C ATOM 365 C6 DC A 12 0.622 2.173 38.711 1.00 0.00 C ATOM 0 H5' DC A 12 4.587 -0.422 38.263 1.00 0.00 H new ATOM 0 H5'' DC A 12 5.361 -0.390 39.835 1.00 0.00 H new ATOM 0 H4' DC A 12 5.324 1.778 39.201 1.00 0.00 H new ATOM 0 H3' DC A 12 3.000 1.339 41.119 1.00 0.00 H new ATOM 0 H2' DC A 12 2.373 3.671 40.779 1.00 0.00 H new ATOM 0 H2'' DC A 12 4.011 4.127 40.353 1.00 0.00 H new ATOM 0 HO3' DC A 12 4.351 2.489 42.501 1.00 0.00 H new ATOM 0 H1' DC A 12 3.382 3.955 38.137 1.00 0.00 H new ATOM 0 H41 DC A 12 -3.111 2.947 37.837 1.00 0.00 H new ATOM 0 H42 DC A 12 -2.769 4.616 37.367 1.00 0.00 H new ATOM 0 H5 DC A 12 -1.381 1.449 38.635 1.00 0.00 H new ATOM 0 H6 DC A 12 1.028 1.251 39.100 1.00 0.00 H new TER 378 DC A 12 ATOM 379 O5' DG B 13 -4.278 15.026 34.079 1.00 0.00 O ATOM 380 C5' DG B 13 -3.534 14.259 33.103 1.00 0.00 C ATOM 381 C4' DG B 13 -2.130 13.895 33.631 1.00 0.00 C ATOM 382 O4' DG B 13 -2.239 12.889 34.639 1.00 0.00 O ATOM 383 C3' DG B 13 -1.244 13.316 32.509 1.00 0.00 C ATOM 384 O3' DG B 13 0.108 13.723 32.706 1.00 0.00 O ATOM 385 C2' DG B 13 -1.448 11.812 32.700 1.00 0.00 C ATOM 386 C1' DG B 13 -1.528 11.731 34.225 1.00 0.00 C ATOM 387 N9 DG B 13 -2.214 10.503 34.686 1.00 0.00 N ATOM 388 C8 DG B 13 -3.538 10.158 34.558 1.00 0.00 C ATOM 389 N7 DG B 13 -3.842 8.989 35.064 1.00 0.00 N ATOM 390 C5 DG B 13 -2.615 8.517 35.557 1.00 0.00 C ATOM 391 C6 DG B 13 -2.258 7.295 36.236 1.00 0.00 C ATOM 392 O6 DG B 13 -2.975 6.347 36.568 1.00 0.00 O ATOM 393 N1 DG B 13 -0.916 7.213 36.553 1.00 0.00 N ATOM 394 C2 DG B 13 -0.015 8.188 36.276 1.00 0.00 C ATOM 395 N2 DG B 13 1.227 7.971 36.604 1.00 0.00 N ATOM 396 N3 DG B 13 -0.297 9.337 35.672 1.00 0.00 N ATOM 397 C4 DG B 13 -1.617 9.443 35.329 1.00 0.00 C ATOM 0 H5' DG B 13 -3.441 14.832 32.180 1.00 0.00 H new ATOM 0 H5'' DG B 13 -4.081 13.348 32.859 1.00 0.00 H new ATOM 0 H4' DG B 13 -1.685 14.809 34.025 1.00 0.00 H new ATOM 0 H3' DG B 13 -1.489 13.645 31.499 1.00 0.00 H new ATOM 0 H2' DG B 13 -2.357 11.453 32.218 1.00 0.00 H new ATOM 0 H2'' DG B 13 -0.621 11.227 32.297 1.00 0.00 H new ATOM 0 HO5' DG B 13 -5.163 15.244 33.718 1.00 0.00 H new ATOM 0 H1' DG B 13 -0.528 11.689 34.657 1.00 0.00 H new ATOM 0 H8 DG B 13 -4.266 10.797 34.081 1.00 0.00 H new ATOM 0 H1 DG B 13 -0.584 6.371 37.022 1.00 0.00 H new ATOM 0 H21 DG B 13 1.936 8.679 36.413 1.00 0.00 H new ATOM 0 H22 DG B 13 1.490 7.093 37.052 1.00 0.00 H new ATOM 410 P DG B 14 1.274 13.422 31.631 1.00 0.00 P ATOM 411 OP1 DG B 14 2.261 14.526 31.719 1.00 0.00 O ATOM 412 OP2 DG B 14 0.651 13.130 30.316 1.00 0.00 O ATOM 413 O5' DG B 14 1.968 12.067 32.165 1.00 0.00 O ATOM 414 C5' DG B 14 2.750 12.057 33.357 1.00 0.00 C ATOM 415 C4' DG B 14 3.582 10.771 33.538 1.00 0.00 C ATOM 416 O4' DG B 14 2.758 9.699 33.983 1.00 0.00 O ATOM 417 C3' DG B 14 4.308 10.316 32.255 1.00 0.00 C ATOM 418 O3' DG B 14 5.634 9.926 32.597 1.00 0.00 O ATOM 419 C2' DG B 14 3.421 9.156 31.793 1.00 0.00 C ATOM 420 C1' DG B 14 2.961 8.581 33.134 1.00 0.00 C ATOM 421 N9 DG B 14 1.699 7.816 33.036 1.00 0.00 N ATOM 422 C8 DG B 14 0.507 8.202 32.474 1.00 0.00 C ATOM 423 N7 DG B 14 -0.469 7.347 32.635 1.00 0.00 N ATOM 424 C5 DG B 14 0.137 6.296 33.339 1.00 0.00 C ATOM 425 C6 DG B 14 -0.391 5.052 33.837 1.00 0.00 C ATOM 426 O6 DG B 14 -1.544 4.623 33.788 1.00 0.00 O ATOM 427 N1 DG B 14 0.558 4.256 34.447 1.00 0.00 N ATOM 428 C2 DG B 14 1.854 4.615 34.608 1.00 0.00 C ATOM 429 N2 DG B 14 2.656 3.740 35.148 1.00 0.00 N ATOM 430 N3 DG B 14 2.380 5.766 34.203 1.00 0.00 N ATOM 431 C4 DG B 14 1.471 6.567 33.566 1.00 0.00 C ATOM 0 H5' DG B 14 2.090 12.177 34.216 1.00 0.00 H new ATOM 0 H5'' DG B 14 3.421 12.916 33.349 1.00 0.00 H new ATOM 0 H4' DG B 14 4.339 11.021 34.281 1.00 0.00 H new ATOM 0 H3' DG B 14 4.428 11.065 31.472 1.00 0.00 H new ATOM 0 H2' DG B 14 2.584 9.496 31.182 1.00 0.00 H new ATOM 0 H2'' DG B 14 3.973 8.427 31.200 1.00 0.00 H new ATOM 0 H1' DG B 14 3.712 7.883 33.505 1.00 0.00 H new ATOM 0 H8 DG B 14 0.386 9.135 31.943 1.00 0.00 H new ATOM 0 H1 DG B 14 0.266 3.344 34.797 1.00 0.00 H new ATOM 0 H21 DG B 14 3.640 3.968 35.288 1.00 0.00 H new ATOM 0 H22 DG B 14 2.299 2.827 35.430 1.00 0.00 H new ATOM 443 P DA B 15 6.699 9.376 31.519 1.00 0.00 P ATOM 444 OP1 DA B 15 8.049 9.822 31.947 1.00 0.00 O ATOM 445 OP2 DA B 15 6.235 9.711 30.150 1.00 0.00 O ATOM 446 O5' DA B 15 6.595 7.780 31.718 1.00 0.00 O ATOM 447 C5' DA B 15 6.999 7.174 32.943 1.00 0.00 C ATOM 448 C4' DA B 15 6.958 5.634 32.911 1.00 0.00 C ATOM 449 O4' DA B 15 5.614 5.164 32.946 1.00 0.00 O ATOM 450 C3' DA B 15 7.654 5.042 31.671 1.00 0.00 C ATOM 451 O3' DA B 15 8.548 4.013 32.083 1.00 0.00 O ATOM 452 C2' DA B 15 6.462 4.538 30.850 1.00 0.00 C ATOM 453 C1' DA B 15 5.440 4.185 31.936 1.00 0.00 C ATOM 454 N9 DA B 15 4.038 4.247 31.460 1.00 0.00 N ATOM 455 C8 DA B 15 3.407 5.288 30.820 1.00 0.00 C ATOM 456 N7 DA B 15 2.131 5.099 30.601 1.00 0.00 N ATOM 457 C5 DA B 15 1.914 3.817 31.134 1.00 0.00 C ATOM 458 C6 DA B 15 0.783 2.977 31.278 1.00 0.00 C ATOM 459 N6 DA B 15 -0.440 3.311 30.918 1.00 0.00 N ATOM 460 N1 DA B 15 0.879 1.771 31.842 1.00 0.00 N ATOM 461 C2 DA B 15 2.073 1.383 32.272 1.00 0.00 C ATOM 462 N3 DA B 15 3.219 2.057 32.220 1.00 0.00 N ATOM 463 C4 DA B 15 3.071 3.282 31.638 1.00 0.00 C ATOM 0 H5' DA B 15 6.353 7.530 33.745 1.00 0.00 H new ATOM 0 H5'' DA B 15 8.012 7.498 33.182 1.00 0.00 H new ATOM 0 H4' DA B 15 7.500 5.302 33.796 1.00 0.00 H new ATOM 0 H3' DA B 15 8.274 5.729 31.095 1.00 0.00 H new ATOM 0 H2' DA B 15 6.085 5.302 30.170 1.00 0.00 H new ATOM 0 H2'' DA B 15 6.724 3.672 30.242 1.00 0.00 H new ATOM 0 H1' DA B 15 5.606 3.162 32.273 1.00 0.00 H new ATOM 0 H8 DA B 15 3.923 6.189 30.522 1.00 0.00 H new ATOM 0 H61 DA B 15 -1.208 2.654 31.052 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.618 4.227 30.506 1.00 0.00 H new ATOM 0 H2 DA B 15 2.120 0.401 32.718 1.00 0.00 H new ATOM 475 P DC B 16 9.532 3.248 31.057 1.00 0.00 P ATOM 476 OP1 DC B 16 10.710 2.774 31.826 1.00 0.00 O ATOM 477 OP2 DC B 16 9.752 4.101 29.862 1.00 0.00 O ATOM 478 O5' DC B 16 8.658 1.971 30.618 1.00 0.00 O ATOM 479 C5' DC B 16 8.327 0.960 31.562 1.00 0.00 C ATOM 480 C4' DC B 16 7.295 -0.042 31.018 1.00 0.00 C ATOM 481 O4' DC B 16 6.046 0.603 30.794 1.00 0.00 O ATOM 482 C3' DC B 16 7.723 -0.725 29.701 1.00 0.00 C ATOM 483 O3' DC B 16 7.678 -2.141 29.871 1.00 0.00 O ATOM 484 C2' DC B 16 6.662 -0.219 28.718 1.00 0.00 C ATOM 485 C1' DC B 16 5.472 -0.008 29.657 1.00 0.00 C ATOM 486 N1 DC B 16 4.390 0.839 29.087 1.00 0.00 N ATOM 487 C2 DC B 16 3.086 0.330 29.040 1.00 0.00 C ATOM 488 O2 DC B 16 2.802 -0.799 29.442 1.00 0.00 O ATOM 489 N3 DC B 16 2.071 1.077 28.548 1.00 0.00 N ATOM 490 C4 DC B 16 2.331 2.293 28.124 1.00 0.00 C ATOM 491 N4 DC B 16 1.299 2.966 27.710 1.00 0.00 N ATOM 492 C5 DC B 16 3.628 2.870 28.142 1.00 0.00 C ATOM 493 C6 DC B 16 4.641 2.110 28.629 1.00 0.00 C ATOM 0 H5' DC B 16 7.934 1.426 32.465 1.00 0.00 H new ATOM 0 H5'' DC B 16 9.232 0.424 31.848 1.00 0.00 H new ATOM 0 H4' DC B 16 7.212 -0.814 31.783 1.00 0.00 H new ATOM 0 H3' DC B 16 8.736 -0.503 29.366 1.00 0.00 H new ATOM 0 H2' DC B 16 6.965 0.703 28.223 1.00 0.00 H new ATOM 0 H2'' DC B 16 6.446 -0.945 27.935 1.00 0.00 H new ATOM 0 H1' DC B 16 4.972 -0.954 29.867 1.00 0.00 H new ATOM 0 H41 DC B 16 1.416 3.919 27.365 1.00 0.00 H new ATOM 0 H42 DC B 16 0.372 2.542 27.730 1.00 0.00 H new ATOM 0 H5 DC B 16 3.801 3.874 27.783 1.00 0.00 H new ATOM 0 H6 DC B 16 5.646 2.505 28.657 1.00 0.00 H new ATOM 505 P DT B 17 8.373 -3.162 28.830 1.00 0.00 P ATOM 506 OP1 DT B 17 8.470 -4.485 29.495 1.00 0.00 O ATOM 507 OP2 DT B 17 9.615 -2.538 28.308 1.00 0.00 O ATOM 508 O5' DT B 17 7.321 -3.274 27.615 1.00 0.00 O ATOM 509 C5' DT B 17 6.112 -4.017 27.736 1.00 0.00 C ATOM 510 C4' DT B 17 5.153 -3.781 26.552 1.00 0.00 C ATOM 511 O4' DT B 17 4.626 -2.467 26.600 1.00 0.00 O ATOM 512 C3' DT B 17 5.804 -3.908 25.157 1.00 0.00 C ATOM 513 O3' DT B 17 5.965 -5.219 24.594 1.00 0.00 O ATOM 514 C2' DT B 17 5.021 -2.903 24.296 1.00 0.00 C ATOM 515 C1' DT B 17 4.143 -2.140 25.309 1.00 0.00 C ATOM 516 N1 DT B 17 4.198 -0.659 25.159 1.00 0.00 N ATOM 517 C2 DT B 17 3.001 0.039 24.944 1.00 0.00 C ATOM 518 O2 DT B 17 1.893 -0.490 24.908 1.00 0.00 O ATOM 519 N3 DT B 17 3.094 1.404 24.795 1.00 0.00 N ATOM 520 C4 DT B 17 4.242 2.151 24.934 1.00 0.00 C ATOM 521 O4 DT B 17 4.169 3.373 24.806 1.00 0.00 O ATOM 522 C5 DT B 17 5.446 1.374 25.237 1.00 0.00 C ATOM 523 C7 DT B 17 6.769 2.078 25.489 1.00 0.00 C ATOM 524 C6 DT B 17 5.391 0.017 25.318 1.00 0.00 C ATOM 0 H5' DT B 17 5.612 -3.742 28.665 1.00 0.00 H new ATOM 0 H5'' DT B 17 6.347 -5.079 27.803 1.00 0.00 H new ATOM 0 H4' DT B 17 4.398 -4.559 26.666 1.00 0.00 H new ATOM 0 H3' DT B 17 6.867 -3.678 25.221 1.00 0.00 H new ATOM 0 H2' DT B 17 5.691 -2.229 23.763 1.00 0.00 H new ATOM 0 H2'' DT B 17 4.414 -3.409 23.545 1.00 0.00 H new ATOM 0 H1' DT B 17 3.107 -2.434 25.141 1.00 0.00 H new ATOM 0 H3 DT B 17 2.237 1.906 24.561 1.00 0.00 H new ATOM 0 H71 DT B 17 6.800 3.008 24.921 1.00 0.00 H new ATOM 0 H72 DT B 17 6.867 2.299 26.552 1.00 0.00 H new ATOM 0 H73 DT B 17 7.590 1.433 25.175 1.00 0.00 H new ATOM 0 H6 DT B 17 6.296 -0.541 25.510 1.00 0.00 H new ATOM 537 P DA B 18 4.803 -6.330 24.343 1.00 0.00 P ATOM 538 OP1 DA B 18 3.957 -6.453 25.553 1.00 0.00 O ATOM 539 OP2 DA B 18 5.489 -7.548 23.845 1.00 0.00 O ATOM 540 O5' DA B 18 3.903 -5.772 23.128 1.00 0.00 O ATOM 541 C5' DA B 18 2.562 -6.211 22.932 1.00 0.00 C ATOM 542 C4' DA B 18 2.063 -5.938 21.499 1.00 0.00 C ATOM 543 O4' DA B 18 1.922 -4.535 21.263 1.00 0.00 O ATOM 544 C3' DA B 18 3.021 -6.499 20.420 1.00 0.00 C ATOM 545 O3' DA B 18 2.356 -7.259 19.418 1.00 0.00 O ATOM 546 C2' DA B 18 3.554 -5.219 19.782 1.00 0.00 C ATOM 547 C1' DA B 18 2.335 -4.303 19.928 1.00 0.00 C ATOM 548 N9 DA B 18 2.619 -2.871 19.655 1.00 0.00 N ATOM 549 C8 DA B 18 3.810 -2.184 19.747 1.00 0.00 C ATOM 550 N7 DA B 18 3.744 -0.925 19.392 1.00 0.00 N ATOM 551 C5 DA B 18 2.388 -0.771 19.053 1.00 0.00 C ATOM 552 C6 DA B 18 1.566 0.320 18.665 1.00 0.00 C ATOM 553 N6 DA B 18 1.972 1.569 18.530 1.00 0.00 N ATOM 554 N1 DA B 18 0.257 0.174 18.464 1.00 0.00 N ATOM 555 C2 DA B 18 -0.254 -1.036 18.632 1.00 0.00 C ATOM 556 N3 DA B 18 0.375 -2.160 18.959 1.00 0.00 N ATOM 557 C4 DA B 18 1.704 -1.952 19.189 1.00 0.00 C ATOM 0 H5' DA B 18 1.909 -5.707 23.644 1.00 0.00 H new ATOM 0 H5'' DA B 18 2.497 -7.279 23.140 1.00 0.00 H new ATOM 0 H4' DA B 18 1.100 -6.442 21.422 1.00 0.00 H new ATOM 0 H3' DA B 18 3.764 -7.171 20.849 1.00 0.00 H new ATOM 0 H2' DA B 18 4.429 -4.830 20.303 1.00 0.00 H new ATOM 0 H2'' DA B 18 3.841 -5.364 18.740 1.00 0.00 H new ATOM 0 H1' DA B 18 1.563 -4.528 19.192 1.00 0.00 H new ATOM 0 H8 DA B 18 4.725 -2.647 20.085 1.00 0.00 H new ATOM 0 H61 DA B 18 1.311 2.292 18.246 1.00 0.00 H new ATOM 0 H62 DA B 18 2.947 1.811 18.710 1.00 0.00 H new ATOM 0 H2 DA B 18 -1.320 -1.120 18.484 1.00 0.00 H new ATOM 569 P DG B 19 2.067 -8.836 19.595 1.00 0.00 P ATOM 570 OP1 DG B 19 2.018 -9.176 21.039 1.00 0.00 O ATOM 571 OP2 DG B 19 3.007 -9.573 18.715 1.00 0.00 O ATOM 572 O5' DG B 19 0.587 -8.993 18.981 1.00 0.00 O ATOM 573 C5' DG B 19 -0.569 -8.628 19.726 1.00 0.00 C ATOM 574 C4' DG B 19 -1.553 -7.773 18.910 1.00 0.00 C ATOM 575 O4' DG B 19 -0.971 -6.503 18.634 1.00 0.00 O ATOM 576 C3' DG B 19 -1.983 -8.408 17.572 1.00 0.00 C ATOM 577 O3' DG B 19 -3.406 -8.391 17.509 1.00 0.00 O ATOM 578 C2' DG B 19 -1.298 -7.493 16.549 1.00 0.00 C ATOM 579 C1' DG B 19 -1.259 -6.158 17.293 1.00 0.00 C ATOM 580 N9 DG B 19 -0.212 -5.243 16.782 1.00 0.00 N ATOM 581 C8 DG B 19 1.142 -5.462 16.695 1.00 0.00 C ATOM 582 N7 DG B 19 1.827 -4.434 16.266 1.00 0.00 N ATOM 583 C5 DG B 19 0.844 -3.458 16.042 1.00 0.00 C ATOM 584 C6 DG B 19 0.942 -2.084 15.616 1.00 0.00 C ATOM 585 O6 DG B 19 1.946 -1.418 15.364 1.00 0.00 O ATOM 586 N1 DG B 19 -0.278 -1.445 15.521 1.00 0.00 N ATOM 587 C2 DG B 19 -1.458 -2.033 15.832 1.00 0.00 C ATOM 588 N2 DG B 19 -2.526 -1.284 15.791 1.00 0.00 N ATOM 589 N3 DG B 19 -1.601 -3.287 16.250 1.00 0.00 N ATOM 590 C4 DG B 19 -0.409 -3.954 16.338 1.00 0.00 C ATOM 0 H5' DG B 19 -0.264 -8.076 20.615 1.00 0.00 H new ATOM 0 H5'' DG B 19 -1.075 -9.530 20.069 1.00 0.00 H new ATOM 0 H4' DG B 19 -2.447 -7.685 19.527 1.00 0.00 H new ATOM 0 H3' DG B 19 -1.704 -9.449 17.412 1.00 0.00 H new ATOM 0 H2' DG B 19 -0.299 -7.845 16.291 1.00 0.00 H new ATOM 0 H2'' DG B 19 -1.863 -7.426 15.619 1.00 0.00 H new ATOM 0 H1' DG B 19 -2.202 -5.626 17.169 1.00 0.00 H new ATOM 0 H8 DG B 19 1.601 -6.403 16.959 1.00 0.00 H new ATOM 0 H1 DG B 19 -0.292 -0.477 15.199 1.00 0.00 H new ATOM 0 H21 DG B 19 -3.437 -1.682 16.017 1.00 0.00 H new ATOM 0 H22 DG B 19 -2.449 -0.300 15.533 1.00 0.00 H new ATOM 602 P DC B 20 -4.246 -8.960 16.256 1.00 0.00 P ATOM 603 OP1 DC B 20 -5.483 -9.590 16.782 1.00 0.00 O ATOM 604 OP2 DC B 20 -3.355 -9.756 15.377 1.00 0.00 O ATOM 605 O5' DC B 20 -4.647 -7.604 15.484 1.00 0.00 O ATOM 606 C5' DC B 20 -5.523 -6.656 16.089 1.00 0.00 C ATOM 607 C4' DC B 20 -5.845 -5.465 15.170 1.00 0.00 C ATOM 608 O4' DC B 20 -4.697 -4.643 15.001 1.00 0.00 O ATOM 609 C3' DC B 20 -6.366 -5.901 13.787 1.00 0.00 C ATOM 610 O3' DC B 20 -7.686 -5.401 13.603 1.00 0.00 O ATOM 611 C2' DC B 20 -5.329 -5.310 12.825 1.00 0.00 C ATOM 612 C1' DC B 20 -4.602 -4.237 13.648 1.00 0.00 C ATOM 613 N1 DC B 20 -3.158 -4.136 13.295 1.00 0.00 N ATOM 614 C2 DC B 20 -2.635 -2.926 12.819 1.00 0.00 C ATOM 615 O2 DC B 20 -3.339 -1.939 12.606 1.00 0.00 O ATOM 616 N3 DC B 20 -1.308 -2.797 12.571 1.00 0.00 N ATOM 617 C4 DC B 20 -0.530 -3.842 12.763 1.00 0.00 C ATOM 618 N4 DC B 20 0.742 -3.644 12.577 1.00 0.00 N ATOM 619 C5 DC B 20 -0.998 -5.101 13.221 1.00 0.00 C ATOM 620 C6 DC B 20 -2.324 -5.211 13.485 1.00 0.00 C ATOM 0 H5' DC B 20 -5.070 -6.286 17.009 1.00 0.00 H new ATOM 0 H5'' DC B 20 -6.451 -7.154 16.369 1.00 0.00 H new ATOM 0 H4' DC B 20 -6.640 -4.904 15.661 1.00 0.00 H new ATOM 0 H3' DC B 20 -6.458 -6.977 13.638 1.00 0.00 H new ATOM 0 H2' DC B 20 -4.637 -6.074 12.471 1.00 0.00 H new ATOM 0 H2'' DC B 20 -5.806 -4.879 11.945 1.00 0.00 H new ATOM 0 H1' DC B 20 -5.056 -3.265 13.455 1.00 0.00 H new ATOM 0 H41 DC B 20 1.402 -4.410 12.708 1.00 0.00 H new ATOM 0 H42 DC B 20 1.079 -2.722 12.300 1.00 0.00 H new ATOM 0 H5 DC B 20 -0.327 -5.936 13.354 1.00 0.00 H new ATOM 0 H6 DC B 20 -2.725 -6.147 13.846 1.00 0.00 H new ATOM 632 P DT B 21 -8.587 -5.767 12.313 1.00 0.00 P ATOM 633 OP1 DT B 21 -10.014 -5.602 12.689 1.00 0.00 O ATOM 634 OP2 DT B 21 -8.138 -7.067 11.754 1.00 0.00 O ATOM 635 O5' DT B 21 -8.197 -4.607 11.269 1.00 0.00 O ATOM 636 C5' DT B 21 -8.468 -3.242 11.563 1.00 0.00 C ATOM 637 C4' DT B 21 -7.721 -2.290 10.615 1.00 0.00 C ATOM 638 O4' DT B 21 -6.316 -2.399 10.796 1.00 0.00 O ATOM 639 C3' DT B 21 -8.028 -2.522 9.122 1.00 0.00 C ATOM 640 O3' DT B 21 -8.820 -1.440 8.644 1.00 0.00 O ATOM 641 C2' DT B 21 -6.630 -2.600 8.491 1.00 0.00 C ATOM 642 C1' DT B 21 -5.701 -2.043 9.574 1.00 0.00 C ATOM 643 N1 DT B 21 -4.328 -2.614 9.501 1.00 0.00 N ATOM 644 C2 DT B 21 -3.255 -1.751 9.242 1.00 0.00 C ATOM 645 O2 DT B 21 -3.375 -0.545 9.028 1.00 0.00 O ATOM 646 N3 DT B 21 -2.002 -2.315 9.215 1.00 0.00 N ATOM 647 C4 DT B 21 -1.709 -3.644 9.403 1.00 0.00 C ATOM 648 O4 DT B 21 -0.533 -3.999 9.360 1.00 0.00 O ATOM 649 C5 DT B 21 -2.871 -4.500 9.641 1.00 0.00 C ATOM 650 C7 DT B 21 -2.692 -5.993 9.855 1.00 0.00 C ATOM 651 C6 DT B 21 -4.121 -3.968 9.679 1.00 0.00 C ATOM 0 H5' DT B 21 -8.180 -3.029 12.592 1.00 0.00 H new ATOM 0 H5'' DT B 21 -9.540 -3.061 11.488 1.00 0.00 H new ATOM 0 H4' DT B 21 -8.078 -1.295 10.879 1.00 0.00 H new ATOM 0 H3' DT B 21 -8.604 -3.418 8.891 1.00 0.00 H new ATOM 0 H2' DT B 21 -6.367 -3.625 8.229 1.00 0.00 H new ATOM 0 H2'' DT B 21 -6.572 -2.012 7.575 1.00 0.00 H new ATOM 0 H1' DT B 21 -5.572 -0.967 9.457 1.00 0.00 H new ATOM 0 H3 DT B 21 -1.216 -1.689 9.039 1.00 0.00 H new ATOM 0 H71 DT B 21 -3.483 -6.365 10.506 1.00 0.00 H new ATOM 0 H72 DT B 21 -2.741 -6.507 8.895 1.00 0.00 H new ATOM 0 H73 DT B 21 -1.723 -6.181 10.318 1.00 0.00 H new ATOM 0 H6 DT B 21 -4.968 -4.616 9.852 1.00 0.00 H new ATOM 664 P DA B 22 -9.339 -1.327 7.119 1.00 0.00 P ATOM 665 OP1 DA B 22 -10.599 -0.543 7.124 1.00 0.00 O ATOM 666 OP2 DA B 22 -9.335 -2.675 6.497 1.00 0.00 O ATOM 667 O5' DA B 22 -8.190 -0.441 6.421 1.00 0.00 O ATOM 668 C5' DA B 22 -7.893 0.866 6.902 1.00 0.00 C ATOM 669 C4' DA B 22 -6.713 1.534 6.172 1.00 0.00 C ATOM 670 O4' DA B 22 -5.509 0.820 6.428 1.00 0.00 O ATOM 671 C3' DA B 22 -6.907 1.626 4.646 1.00 0.00 C ATOM 672 O3' DA B 22 -6.531 2.931 4.221 1.00 0.00 O ATOM 673 C2' DA B 22 -5.978 0.518 4.140 1.00 0.00 C ATOM 674 C1' DA B 22 -4.868 0.537 5.195 1.00 0.00 C ATOM 675 N9 DA B 22 -4.154 -0.754 5.323 1.00 0.00 N ATOM 676 C8 DA B 22 -4.683 -2.017 5.459 1.00 0.00 C ATOM 677 N7 DA B 22 -3.796 -2.959 5.664 1.00 0.00 N ATOM 678 C5 DA B 22 -2.582 -2.253 5.617 1.00 0.00 C ATOM 679 C6 DA B 22 -1.216 -2.602 5.757 1.00 0.00 C ATOM 680 N6 DA B 22 -0.770 -3.816 6.023 1.00 0.00 N ATOM 681 N1 DA B 22 -0.254 -1.685 5.649 1.00 0.00 N ATOM 682 C2 DA B 22 -0.610 -0.427 5.424 1.00 0.00 C ATOM 683 N3 DA B 22 -1.838 0.060 5.293 1.00 0.00 N ATOM 684 C4 DA B 22 -2.789 -0.915 5.398 1.00 0.00 C ATOM 0 H5' DA B 22 -7.667 0.810 7.967 1.00 0.00 H new ATOM 0 H5'' DA B 22 -8.778 1.494 6.796 1.00 0.00 H new ATOM 0 H4' DA B 22 -6.660 2.550 6.562 1.00 0.00 H new ATOM 0 H3' DA B 22 -7.924 1.489 4.277 1.00 0.00 H new ATOM 0 H2' DA B 22 -6.481 -0.448 4.093 1.00 0.00 H new ATOM 0 H2'' DA B 22 -5.597 0.728 3.141 1.00 0.00 H new ATOM 0 H1' DA B 22 -4.119 1.275 4.907 1.00 0.00 H new ATOM 0 H8 DA B 22 -5.743 -2.215 5.401 1.00 0.00 H new ATOM 0 H61 DA B 22 0.233 -3.984 6.108 1.00 0.00 H new ATOM 0 H62 DA B 22 -1.428 -4.586 6.143 1.00 0.00 H new ATOM 0 H2 DA B 22 0.196 0.287 5.337 1.00 0.00 H new ATOM 696 P DG B 23 -6.682 3.434 2.697 1.00 0.00 P ATOM 697 OP1 DG B 23 -6.996 4.884 2.726 1.00 0.00 O ATOM 698 OP2 DG B 23 -7.595 2.520 1.966 1.00 0.00 O ATOM 699 O5' DG B 23 -5.193 3.238 2.113 1.00 0.00 O ATOM 700 C5' DG B 23 -4.122 4.076 2.538 1.00 0.00 C ATOM 701 C4' DG B 23 -2.794 3.764 1.823 1.00 0.00 C ATOM 702 O4' DG B 23 -2.233 2.553 2.315 1.00 0.00 O ATOM 703 C3' DG B 23 -2.942 3.650 0.291 1.00 0.00 C ATOM 704 O3' DG B 23 -2.074 4.581 -0.347 1.00 0.00 O ATOM 705 C2' DG B 23 -2.575 2.183 0.034 1.00 0.00 C ATOM 706 C1' DG B 23 -1.673 1.841 1.226 1.00 0.00 C ATOM 707 N9 DG B 23 -1.660 0.395 1.555 1.00 0.00 N ATOM 708 C8 DG B 23 -2.737 -0.433 1.763 1.00 0.00 C ATOM 709 N7 DG B 23 -2.423 -1.656 2.099 1.00 0.00 N ATOM 710 C5 DG B 23 -1.020 -1.641 2.107 1.00 0.00 C ATOM 711 C6 DG B 23 -0.060 -2.674 2.401 1.00 0.00 C ATOM 712 O6 DG B 23 -0.254 -3.844 2.731 1.00 0.00 O ATOM 713 N1 DG B 23 1.250 -2.259 2.293 1.00 0.00 N ATOM 714 C2 DG B 23 1.616 -1.005 1.934 1.00 0.00 C ATOM 715 N2 DG B 23 2.897 -0.774 1.827 1.00 0.00 N ATOM 716 N3 DG B 23 0.769 -0.015 1.654 1.00 0.00 N ATOM 717 C4 DG B 23 -0.545 -0.392 1.763 1.00 0.00 C ATOM 0 H5' DG B 23 -3.985 3.963 3.613 1.00 0.00 H new ATOM 0 H5'' DG B 23 -4.389 5.117 2.358 1.00 0.00 H new ATOM 0 H4' DG B 23 -2.136 4.607 2.036 1.00 0.00 H new ATOM 0 H3' DG B 23 -3.930 3.889 -0.103 1.00 0.00 H new ATOM 0 H2' DG B 23 -3.459 1.546 0.000 1.00 0.00 H new ATOM 0 H2'' DG B 23 -2.055 2.057 -0.915 1.00 0.00 H new ATOM 0 H1' DG B 23 -0.640 2.105 1.000 1.00 0.00 H new ATOM 0 H8 DG B 23 -3.759 -0.100 1.657 1.00 0.00 H new ATOM 0 H1 DG B 23 1.986 -2.935 2.495 1.00 0.00 H new ATOM 0 H21 DG B 23 3.227 0.153 1.560 1.00 0.00 H new ATOM 0 H22 DG B 23 3.567 -1.521 2.011 1.00 0.00 H new ATOM 729 P DC B 24 -2.174 4.920 -1.924 1.00 0.00 P ATOM 730 OP1 DC B 24 -1.591 6.268 -2.139 1.00 0.00 O ATOM 731 OP2 DC B 24 -3.556 4.656 -2.395 1.00 0.00 O ATOM 732 O5' DC B 24 -1.200 3.829 -2.591 1.00 0.00 O ATOM 733 C5' DC B 24 0.211 3.919 -2.436 1.00 0.00 C ATOM 734 C4' DC B 24 0.925 2.604 -2.789 1.00 0.00 C ATOM 735 O4' DC B 24 0.588 1.588 -1.858 1.00 0.00 O ATOM 736 C3' DC B 24 0.578 2.017 -4.169 1.00 0.00 C ATOM 737 O3' DC B 24 1.423 2.529 -5.223 1.00 0.00 O ATOM 738 C2' DC B 24 0.833 0.519 -3.962 1.00 0.00 C ATOM 739 C1' DC B 24 0.979 0.358 -2.436 1.00 0.00 C ATOM 740 N1 DC B 24 0.157 -0.760 -1.896 1.00 0.00 N ATOM 741 C2 DC B 24 0.805 -1.889 -1.382 1.00 0.00 C ATOM 742 O2 DC B 24 2.032 -1.968 -1.315 1.00 0.00 O ATOM 743 N3 DC B 24 0.100 -2.960 -0.951 1.00 0.00 N ATOM 744 C4 DC B 24 -1.212 -2.922 -1.035 1.00 0.00 C ATOM 745 N4 DC B 24 -1.824 -3.990 -0.616 1.00 0.00 N ATOM 746 C5 DC B 24 -1.935 -1.811 -1.552 1.00 0.00 C ATOM 747 C6 DC B 24 -1.215 -0.740 -1.975 1.00 0.00 C ATOM 0 H5' DC B 24 0.444 4.191 -1.406 1.00 0.00 H new ATOM 0 H5'' DC B 24 0.593 4.718 -3.071 1.00 0.00 H new ATOM 0 H4' DC B 24 1.980 2.879 -2.777 1.00 0.00 H new ATOM 0 H3' DC B 24 -0.436 2.267 -4.482 1.00 0.00 H new ATOM 0 H2' DC B 24 0.008 -0.081 -4.347 1.00 0.00 H new ATOM 0 H2'' DC B 24 1.734 0.194 -4.483 1.00 0.00 H new ATOM 0 HO3' DC B 24 1.163 2.124 -6.077 1.00 0.00 H new ATOM 0 H1' DC B 24 2.011 0.108 -2.192 1.00 0.00 H new ATOM 0 H41 DC B 24 -2.842 -4.040 -0.648 1.00 0.00 H new ATOM 0 H42 DC B 24 -1.286 -4.778 -0.256 1.00 0.00 H new ATOM 0 H5 DC B 24 -3.014 -1.819 -1.606 1.00 0.00 H new ATOM 0 H6 DC B 24 -1.720 0.127 -2.373 1.00 0.00 H new TER 760 DC B 24 HETATM 761 C1 HND A 25 -0.432 -0.520 22.248 1.00 0.00 C HETATM 762 C2 HND A 25 -0.790 -2.016 22.259 1.00 0.00 C HETATM 763 C3 HND A 25 -2.040 -2.408 21.462 1.00 0.00 C HETATM 764 C4 HND A 25 -2.696 -3.710 21.991 1.00 0.00 C HETATM 765 C5 HND A 25 -1.828 -4.937 21.647 1.00 0.00 C HETATM 766 C6 HND A 25 -2.166 -6.201 22.457 1.00 0.00 C HETATM 767 C7 HND A 25 -1.852 -6.039 23.958 1.00 0.00 C HETATM 768 C8 HND A 25 -1.682 -7.391 24.675 1.00 0.00 C HETATM 769 C9 HND A 25 -2.961 -8.242 24.677 1.00 0.00 C HETATM 770 O10 HND A 25 -4.009 -3.882 21.407 1.00 0.00 O HETATM 771 O11 HND A 25 0.801 -0.353 21.572 1.00 0.00 O HETATM 0 HO11 HND A 25 0.737 -0.740 20.674 1.00 0.00 H new HETATM 0 HO10 HND A 25 -4.413 -4.708 21.747 1.00 0.00 H new HETATM 0 H9B HND A 25 -3.758 -7.699 25.185 1.00 0.00 H new HETATM 0 H9A HND A 25 -3.261 -8.451 23.650 1.00 0.00 H new HETATM 0 H9 HND A 25 -2.773 -9.181 25.198 1.00 0.00 H new HETATM 0 H8A HND A 25 -0.881 -7.952 24.193 1.00 0.00 H new HETATM 0 H8 HND A 25 -1.371 -7.212 25.704 1.00 0.00 H new HETATM 0 H7A HND A 25 -0.940 -5.453 24.074 1.00 0.00 H new HETATM 0 H7 HND A 25 -2.655 -5.477 24.435 1.00 0.00 H new HETATM 0 H6A HND A 25 -3.223 -6.437 22.333 1.00 0.00 H new HETATM 0 H6 HND A 25 -1.602 -7.045 22.060 1.00 0.00 H new HETATM 0 H5A HND A 25 -1.939 -5.160 20.586 1.00 0.00 H new HETATM 0 H5 HND A 25 -0.781 -4.684 21.812 1.00 0.00 H new HETATM 0 H4 HND A 25 -2.784 -3.626 23.074 1.00 0.00 H new HETATM 0 H3 HND A 25 -1.772 -2.540 20.414 1.00 0.00 H new HETATM 0 H2A HND A 25 0.059 -2.576 21.867 1.00 0.00 H new HETATM 0 H2 HND A 25 -0.928 -2.330 23.294 1.00 0.00 H new HETATM 0 H1 HND A 25 -0.358 -0.142 23.268 1.00 0.00 H new CONECT 206 761 CONECT 208 763 CONECT 761 206 762 771 787 CONECT 762 761 763 772 789 CONECT 763 208 762 764 773 CONECT 764 763 765 770 774 CONECT 765 764 766 775 776 CONECT 766 765 767 778 779 CONECT 767 766 768 780 781 CONECT 768 767 769 782 783 CONECT 769 768 784 785 786 CONECT 770 764 777 CONECT 771 761 788 CONECT 772 762 CONECT 773 763 CONECT 774 764 CONECT 775 765 CONECT 776 765 CONECT 777 770 CONECT 778 766 CONECT 779 766 CONECT 780 767 CONECT 781 767 CONECT 782 768 CONECT 783 768 CONECT 784 769 CONECT 785 769 CONECT 786 769 CONECT 787 761 CONECT 788 771 CONECT 789 762 END