USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 186 hydrogens (6 hets) HEADER DNA 22-MAY-02 1LUH TITLE SOLUTION NMR STRUCTURE OF SELF-COMPLIMENTARY DUPLEX 5'- TITLE 2 D(TCCG*CGGA)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE TITLE 3 N2 POSITION OF G* COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*CP*CP*(TME)GP*CP*GP*GP*A)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: DETAILS OF THE SYNTHESIS ARE DESCRIBED IN SOURCE 4 THE JOURNAL ARTICLE. KEYWDS DNA DUPLEX, GUANINE N2-GUANINE N2 INTERSTRAND CROSSLINK EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR P.D.DOOLEY,M.ZHANG,G.A.KORBEL,L.V.NECHEV,C.M.HARRIS, AUTHOR 2 M.P.STONE,T.M.HARRIS REVDAT 2 24-FEB-09 1LUH 1 VERSN REVDAT 1 11-FEB-03 1LUH 0 JRNL AUTH P.D.DOOLEY,M.ZHANG,G.A.KORBEL,L.V.NECHEV, JRNL AUTH 2 C.M.HARRIS,M.P.STONE,T.M.HARRIS JRNL TITL NMR DETERMINATION OF THE CONFORMATION OF A JRNL TITL 2 TRIMETHYLENE INTERSTRAND CROSS-LINK IN AN JRNL TITL 3 OLIGODEOXYNUCLEOTIDE DUPLEX CONTAINING A 5'-D(GPC) JRNL TITL 4 MOTIF JRNL REF J.AM.CHEM.SOC. V. 125 62 2003 JRNL REFN ISSN 0002-7863 JRNL PMID 12515507 JRNL DOI 10.1021/JA0207798 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : A.T.BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: FURTHER DETAILS ABOUT THE STRUCTURAL REMARK 3 REFINEMENT INCLUDING THE TRIMETHYLENE CHAIN CAN BE FOUND IN REMARK 3 THE JOURNAL ARTICLE. REMARK 4 REMARK 4 1LUH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUN-02. REMARK 100 THE RCSB ID CODE IS RCSB016282. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.10 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2 MM CROSSLINKED DUPLEX, 10 REMARK 210 MM SODIUM PHOSPHATE BUFFER, REMARK 210 0.1 M NACL, 50 MM EDTA, PH REMARK 210 7.1; 2 MM CROSSLINKED DUPLEX, REMARK 210 10 MM SODIUM PHOSPHATE BUFFER, REMARK 210 0.1 M NACL, 50 MM EDTA, PH 7.1 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, PE-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 95, MARDIGRAS, X-PLOR REMARK 210 3.1, CORMA 3.85 REMARK 210 METHOD USED : NOE-RESTRAINED MOLECULAR REMARK 210 DYNAMICS; SIMULATED ANNEALING 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 : NULL 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 DT A 1 C3' DT A 1 C2' 0.081 REMARK 500 DT A 1 C5 DT A 1 C7 0.037 REMARK 500 DC A 2 C2' DC A 2 C1' 0.069 REMARK 500 DC A 5 N1 DC A 5 C6 -0.105 REMARK 500 DG A 6 C8 DG A 6 N9 -0.084 REMARK 500 DG A 7 C3' DG A 7 C2' -0.071 REMARK 500 DA A 8 C3' DA A 8 C2' 0.112 REMARK 500 DA A 8 C2' DA A 8 C1' 0.111 REMARK 500 DT B 9 C3' DT B 9 C2' 0.081 REMARK 500 DT B 9 C5 DT B 9 C7 0.037 REMARK 500 DC B 10 C2' DC B 10 C1' 0.068 REMARK 500 DC B 13 N1 DC B 13 C6 -0.104 REMARK 500 DG B 14 C8 DG B 14 N9 -0.084 REMARK 500 DG B 15 C3' DG B 15 C2' -0.071 REMARK 500 DA B 16 C3' DA B 16 C2' 0.112 REMARK 500 DA B 16 C2' DA B 16 C1' 0.111 REMARK 500 REMARK 500 REMARK: NULL 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 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC A 5 C6 - N1 - C2 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 5 C6 - N1 - C1' ANGL. DEV. = -7.8 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 6 C5 - N7 - C8 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG A 6 N7 - C8 - N9 ANGL. DEV. = 6.0 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 DG A 7 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 7 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA A 8 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 8 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC B 10 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES REMARK 500 DC B 10 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG B 12 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG B 12 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DC B 13 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC B 13 C6 - N1 - C2 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC B 13 C6 - N1 - C1' ANGL. DEV. = -7.9 DEGREES REMARK 500 DG B 14 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG B 14 C5 - N7 - C8 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG B 14 N7 - C8 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DG B 15 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 DG B 15 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG B 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DA B 16 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 16 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 3 0.06 SIDE_CHAIN REMARK 500 DC B 11 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TME B 1 DBREF 1LUH A 1 8 PDB 1LUH 1LUH 1 8 DBREF 1LUH B 9 16 PDB 1LUH 1LUH 9 16 SEQRES 1 A 8 DT DC DC DG DC DG DG DA SEQRES 1 B 8 DT DC DC DG DC DG DG DA HET TME B 1 9 HETNAM TME PROPANE FORMUL 3 TME C3 H8 LINK C3 TME B 1 N2 DG A 4 1555 1555 1.49 LINK C1 TME B 1 N2 DG B 12 1555 1555 1.49 SITE *** AC1 4 DG A 4 DC A 5 DG B 12 DC B 13 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 4 DG H22 : A 4 DG N2 : B 1 TME C3 :(H bumps) USER MOD NoAdj-H: B 12 DG H22 : B 12 DG N2 : B 1 TME C1 :(H bumps) USER MOD NoAdj-H: B 1 TME H33 : B 1 TME C3 : A 4 DG N2 :(H bumps) USER MOD NoAdj-H: B 1 TME H13 : B 1 TME C1 : B 12 DG N2 :(H bumps) USER MOD Single : A 1 DT C7 :methyl -30:sc= -0.716 (180deg=-3.28!) USER MOD Single : A 1 DT O5' : rot 9:sc= 0.404 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl -30:sc= -0.704 (180deg=-3.23!) USER MOD Single : B 9 DT O5' : rot 11:sc= 0.399 USER MOD Single : B 16 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 5.372 -6.902 -0.347 1.00 1.61 O ATOM 2 C5' DT A 1 6.289 -6.416 -1.332 1.00 0.86 C ATOM 3 C4' DT A 1 6.541 -4.920 -1.172 1.00 0.74 C ATOM 4 O4' DT A 1 5.287 -4.200 -1.251 1.00 0.67 O ATOM 5 C3' DT A 1 7.185 -4.627 0.215 1.00 0.68 C ATOM 6 O3' DT A 1 8.448 -3.978 0.023 1.00 0.67 O ATOM 7 C2' DT A 1 6.172 -3.620 0.933 1.00 0.59 C ATOM 8 C1' DT A 1 5.002 -3.441 -0.046 1.00 0.58 C ATOM 9 N1 DT A 1 3.742 -3.912 0.558 1.00 0.61 N ATOM 10 C2 DT A 1 2.553 -3.573 -0.059 1.00 0.62 C ATOM 11 O2 DT A 1 2.509 -2.849 -1.052 1.00 0.60 O ATOM 12 N3 DT A 1 1.408 -4.098 0.509 1.00 0.68 N ATOM 13 C4 DT A 1 1.350 -4.919 1.623 1.00 0.74 C ATOM 14 O4 DT A 1 0.271 -5.331 2.040 1.00 0.82 O ATOM 15 C5 DT A 1 2.641 -5.218 2.203 1.00 0.72 C ATOM 16 C7 DT A 1 2.715 -6.135 3.429 1.00 0.80 C ATOM 17 C6 DT A 1 3.775 -4.710 1.662 1.00 0.65 C ATOM 0 H5' DT A 1 5.894 -6.615 -2.328 1.00 0.86 H new ATOM 0 H5'' DT A 1 7.232 -6.956 -1.250 1.00 0.86 H new ATOM 0 H4' DT A 1 7.213 -4.599 -1.968 1.00 0.74 H new ATOM 0 H3' DT A 1 7.353 -5.533 0.798 1.00 0.68 H new ATOM 0 H2' DT A 1 5.828 -4.023 1.885 1.00 0.59 H new ATOM 0 H2'' DT A 1 6.654 -2.666 1.147 1.00 0.59 H new ATOM 0 HO5' DT A 1 4.984 -6.145 0.141 1.00 1.61 H new ATOM 0 H1' DT A 1 4.888 -2.384 -0.286 1.00 0.58 H new ATOM 0 H3 DT A 1 0.521 -3.858 0.066 1.00 0.68 H new ATOM 0 H71 DT A 1 1.803 -6.031 4.017 1.00 0.80 H new ATOM 0 H72 DT A 1 2.820 -7.170 3.103 1.00 0.80 H new ATOM 0 H73 DT A 1 3.574 -5.857 4.040 1.00 0.80 H new ATOM 0 H6 DT A 1 4.727 -4.943 2.116 1.00 0.65 H new ATOM 31 P DC A 2 9.501 -3.858 1.238 1.00 0.67 P ATOM 32 OP1 DC A 2 10.867 -3.854 0.667 1.00 1.68 O ATOM 33 OP2 DC A 2 9.137 -4.851 2.274 1.00 1.19 O ATOM 34 O5' DC A 2 9.191 -2.389 1.818 1.00 0.61 O ATOM 35 C5' DC A 2 9.329 -1.243 0.976 1.00 0.60 C ATOM 36 C4' DC A 2 8.322 -0.155 1.330 1.00 0.53 C ATOM 37 O4' DC A 2 6.967 -0.713 1.252 1.00 0.48 O ATOM 38 C3' DC A 2 8.568 0.401 2.698 1.00 0.51 C ATOM 39 O3' DC A 2 9.008 1.767 2.578 1.00 0.55 O ATOM 40 C2' DC A 2 7.206 0.445 3.312 1.00 0.45 C ATOM 41 C1' DC A 2 6.157 -0.136 2.271 1.00 0.42 C ATOM 42 N1 DC A 2 5.198 -1.112 2.864 1.00 0.40 N ATOM 43 C2 DC A 2 3.879 -0.952 2.455 1.00 0.39 C ATOM 44 O2 DC A 2 3.592 -0.118 1.593 1.00 0.39 O ATOM 45 N3 DC A 2 2.929 -1.741 3.001 1.00 0.42 N ATOM 46 C4 DC A 2 3.229 -2.660 3.906 1.00 0.46 C ATOM 47 N4 DC A 2 2.238 -3.377 4.434 1.00 0.53 N ATOM 48 C5 DC A 2 4.584 -2.855 4.332 1.00 0.47 C ATOM 49 C6 DC A 2 5.534 -2.059 3.791 1.00 0.44 C ATOM 0 H5' DC A 2 9.194 -1.538 -0.065 1.00 0.60 H new ATOM 0 H5'' DC A 2 10.340 -0.846 1.066 1.00 0.60 H new ATOM 0 H4' DC A 2 8.433 0.663 0.619 1.00 0.53 H new ATOM 0 H3' DC A 2 9.303 -0.178 3.258 1.00 0.51 H new ATOM 0 H2' DC A 2 7.188 -0.139 4.232 1.00 0.45 H new ATOM 0 H2'' DC A 2 6.945 1.469 3.579 1.00 0.45 H new ATOM 0 H1' DC A 2 5.497 0.644 1.891 1.00 0.42 H new ATOM 0 H41 DC A 2 2.442 -4.091 5.133 1.00 0.53 H new ATOM 0 H42 DC A 2 1.276 -3.212 4.139 1.00 0.53 H new ATOM 0 H5 DC A 2 4.837 -3.612 5.060 1.00 0.47 H new ATOM 0 H6 DC A 2 6.565 -2.172 4.093 1.00 0.44 H new ATOM 61 P DC A 3 8.996 2.779 3.841 1.00 0.58 P ATOM 62 OP1 DC A 3 9.707 4.017 3.450 1.00 1.61 O ATOM 63 OP2 DC A 3 9.427 2.029 5.042 1.00 1.20 O ATOM 64 O5' DC A 3 7.423 3.123 3.997 1.00 0.51 O ATOM 65 C5' DC A 3 6.756 3.944 3.027 1.00 0.60 C ATOM 66 C4' DC A 3 5.657 4.802 3.656 1.00 0.58 C ATOM 67 O4' DC A 3 4.437 4.077 3.850 1.00 0.58 O ATOM 68 C3' DC A 3 6.093 5.369 4.982 1.00 0.54 C ATOM 69 O3' DC A 3 6.015 6.798 4.902 1.00 0.67 O ATOM 70 C2' DC A 3 5.096 4.830 6.010 1.00 0.47 C ATOM 71 C1' DC A 3 3.897 4.370 5.150 1.00 0.53 C ATOM 72 N1 DC A 3 3.286 3.137 5.660 1.00 0.49 N ATOM 73 C2 DC A 3 1.945 3.148 6.016 1.00 0.65 C ATOM 74 O2 DC A 3 1.326 4.209 6.087 1.00 0.84 O ATOM 75 N3 DC A 3 1.348 1.954 6.287 1.00 0.63 N ATOM 76 C4 DC A 3 2.037 0.806 6.209 1.00 0.48 C ATOM 77 N4 DC A 3 1.418 -0.348 6.464 1.00 0.50 N ATOM 78 C5 DC A 3 3.423 0.810 5.850 1.00 0.41 C ATOM 79 C6 DC A 3 3.993 1.985 5.604 1.00 0.41 C ATOM 0 H5' DC A 3 6.322 3.310 2.253 1.00 0.60 H new ATOM 0 H5'' DC A 3 7.485 4.591 2.538 1.00 0.60 H new ATOM 0 H4' DC A 3 5.474 5.611 2.948 1.00 0.58 H new ATOM 0 H3' DC A 3 7.113 5.094 5.252 1.00 0.54 H new ATOM 0 H2' DC A 3 5.518 4.004 6.583 1.00 0.47 H new ATOM 0 H2'' DC A 3 4.804 5.598 6.726 1.00 0.47 H new ATOM 0 H1' DC A 3 3.132 5.147 5.150 1.00 0.53 H new ATOM 0 H41 DC A 3 1.933 -1.226 6.407 1.00 0.50 H new ATOM 0 H42 DC A 3 0.430 -0.352 6.716 1.00 0.50 H new ATOM 0 H5 DC A 3 3.985 -0.109 5.782 1.00 0.41 H new ATOM 0 H6 DC A 3 5.043 2.021 5.354 1.00 0.41 H new ATOM 91 P DG A 4 6.963 7.750 5.781 1.00 0.75 P ATOM 92 OP1 DG A 4 7.014 9.080 5.134 1.00 1.45 O ATOM 93 OP2 DG A 4 8.220 7.021 6.070 1.00 1.76 O ATOM 94 O5' DG A 4 6.126 7.885 7.144 1.00 0.77 O ATOM 95 C5' DG A 4 6.356 6.970 8.210 1.00 0.68 C ATOM 96 C4' DG A 4 5.478 7.258 9.403 1.00 0.62 C ATOM 97 O4' DG A 4 4.127 6.768 9.191 1.00 0.59 O ATOM 98 C3' DG A 4 6.030 6.605 10.624 1.00 0.61 C ATOM 99 O3' DG A 4 6.122 7.559 11.695 1.00 0.63 O ATOM 100 C2' DG A 4 5.089 5.505 10.957 1.00 0.57 C ATOM 101 C1' DG A 4 3.784 5.853 10.253 1.00 0.55 C ATOM 102 N9 DG A 4 3.102 4.638 9.763 1.00 0.54 N ATOM 103 C8 DG A 4 3.634 3.533 9.219 1.00 0.55 C ATOM 104 N7 DG A 4 2.846 2.553 8.937 1.00 0.54 N ATOM 105 C5 DG A 4 1.612 3.060 9.342 1.00 0.52 C ATOM 106 C6 DG A 4 0.330 2.460 9.297 1.00 0.51 C ATOM 107 O6 DG A 4 0.028 1.338 8.899 1.00 0.51 O ATOM 108 N1 DG A 4 -0.651 3.304 9.795 1.00 0.51 N ATOM 109 C2 DG A 4 -0.426 4.586 10.289 1.00 0.51 C ATOM 110 N2 DG A 4 -1.486 5.282 10.737 1.00 0.52 N ATOM 111 N3 DG A 4 0.788 5.151 10.336 1.00 0.52 N ATOM 112 C4 DG A 4 1.756 4.342 9.849 1.00 0.53 C ATOM 0 H5' DG A 4 7.403 7.019 8.510 1.00 0.68 H new ATOM 0 H5'' DG A 4 6.172 5.954 7.861 1.00 0.68 H new ATOM 0 H4' DG A 4 5.453 8.340 9.534 1.00 0.62 H new ATOM 0 H3' DG A 4 7.036 6.218 10.463 1.00 0.61 H new ATOM 0 H2' DG A 4 5.474 4.544 10.616 1.00 0.57 H new ATOM 0 H2'' DG A 4 4.944 5.426 12.034 1.00 0.57 H new ATOM 0 H1' DG A 4 3.073 6.322 10.933 1.00 0.55 H new ATOM 0 H8 DG A 4 4.694 3.467 9.023 1.00 0.55 H new ATOM 0 H1 DG A 4 -1.611 2.959 9.800 1.00 0.51 H new ATOM 0 H21 DG A 4 -1.358 6.224 11.106 1.00 0.52 H new ATOM 123 P DC A 5 6.606 7.123 13.169 1.00 0.66 P ATOM 124 OP1 DC A 5 6.644 8.333 14.021 1.00 1.27 O ATOM 125 OP2 DC A 5 7.814 6.278 13.032 1.00 1.56 O ATOM 126 O5' DC A 5 5.391 6.191 13.664 1.00 0.89 O ATOM 127 C5' DC A 5 5.124 6.004 15.055 1.00 0.81 C ATOM 128 C4' DC A 5 4.071 6.988 15.567 1.00 0.62 C ATOM 129 O4' DC A 5 2.936 7.000 14.678 1.00 0.58 O ATOM 130 C3' DC A 5 3.582 6.557 16.935 1.00 0.56 C ATOM 131 O3' DC A 5 3.726 7.627 17.876 1.00 0.53 O ATOM 132 C2' DC A 5 2.118 6.197 16.777 1.00 0.48 C ATOM 133 C1' DC A 5 1.758 6.470 15.335 1.00 0.46 C ATOM 134 N1 DC A 5 1.290 5.266 14.664 1.00 0.46 N ATOM 135 C2 DC A 5 -0.049 4.883 14.601 1.00 0.40 C ATOM 136 O2 DC A 5 -0.927 5.529 15.170 1.00 0.40 O ATOM 137 N3 DC A 5 -0.341 3.760 13.871 1.00 0.40 N ATOM 138 C4 DC A 5 0.646 3.083 13.249 1.00 0.46 C ATOM 139 N4 DC A 5 0.352 1.994 12.540 1.00 0.48 N ATOM 140 C5 DC A 5 2.007 3.530 13.350 1.00 0.56 C ATOM 141 C6 DC A 5 2.217 4.629 14.091 1.00 0.55 C ATOM 0 H5' DC A 5 6.046 6.130 15.623 1.00 0.81 H new ATOM 0 H5'' DC A 5 4.782 4.983 15.226 1.00 0.81 H new ATOM 0 H4' DC A 5 4.525 7.978 15.619 1.00 0.62 H new ATOM 0 H3' DC A 5 4.160 5.711 17.308 1.00 0.56 H new ATOM 0 H2' DC A 5 1.948 5.150 17.027 1.00 0.48 H new ATOM 0 H2'' DC A 5 1.499 6.790 17.450 1.00 0.48 H new ATOM 0 H1' DC A 5 0.940 7.190 15.290 1.00 0.46 H new ATOM 0 H41 DC A 5 1.094 1.478 12.067 1.00 0.48 H new ATOM 0 H42 DC A 5 -0.615 1.677 12.470 1.00 0.48 H new ATOM 0 H5 DC A 5 2.816 3.011 12.857 1.00 0.56 H new ATOM 0 H6 DC A 5 3.230 4.986 14.203 1.00 0.55 H new ATOM 153 P DG A 6 3.613 7.365 19.459 1.00 0.68 P ATOM 154 OP1 DG A 6 4.192 8.531 20.165 1.00 1.54 O ATOM 155 OP2 DG A 6 4.123 6.004 19.744 1.00 1.63 O ATOM 156 O5' DG A 6 2.022 7.366 19.695 1.00 0.52 O ATOM 157 C5' DG A 6 1.325 8.567 20.043 1.00 0.48 C ATOM 158 C4' DG A 6 -0.128 8.264 20.387 1.00 0.47 C ATOM 159 O4' DG A 6 -0.679 7.370 19.409 1.00 0.51 O ATOM 160 C3' DG A 6 -0.228 7.626 21.750 1.00 0.52 C ATOM 161 O3' DG A 6 -1.183 8.310 22.581 1.00 0.55 O ATOM 162 C2' DG A 6 -0.656 6.214 21.488 1.00 0.62 C ATOM 163 C1' DG A 6 -1.000 6.128 20.028 1.00 0.55 C ATOM 164 N9 DG A 6 -0.316 5.031 19.396 1.00 0.50 N ATOM 165 C8 DG A 6 0.926 4.722 19.560 1.00 0.48 C ATOM 166 N7 DG A 6 1.399 3.680 18.962 1.00 0.47 N ATOM 167 C5 DG A 6 0.257 3.229 18.291 1.00 0.48 C ATOM 168 C6 DG A 6 0.072 2.109 17.443 1.00 0.51 C ATOM 169 O6 DG A 6 0.890 1.254 17.110 1.00 0.50 O ATOM 170 N1 DG A 6 -1.235 2.034 16.988 1.00 0.60 N ATOM 171 C2 DG A 6 -2.246 2.920 17.303 1.00 0.66 C ATOM 172 N2 DG A 6 -3.441 2.671 16.768 1.00 0.79 N ATOM 173 N3 DG A 6 -2.080 3.976 18.101 1.00 0.62 N ATOM 174 C4 DG A 6 -0.812 4.068 18.556 1.00 0.52 C ATOM 0 H5' DG A 6 1.368 9.272 19.213 1.00 0.48 H new ATOM 0 H5'' DG A 6 1.814 9.044 20.893 1.00 0.48 H new ATOM 0 H4' DG A 6 -0.685 9.201 20.391 1.00 0.47 H new ATOM 0 H3' DG A 6 0.719 7.673 22.287 1.00 0.52 H new ATOM 0 H2' DG A 6 0.142 5.515 21.739 1.00 0.62 H new ATOM 0 H2'' DG A 6 -1.516 5.950 22.104 1.00 0.62 H new ATOM 0 H1' DG A 6 -2.067 5.936 19.916 1.00 0.55 H new ATOM 0 H8 DG A 6 1.562 5.327 20.189 1.00 0.48 H new ATOM 0 H1 DG A 6 -1.470 1.259 16.368 1.00 0.60 H new ATOM 0 H21 DG A 6 -4.227 3.291 16.965 1.00 0.79 H new ATOM 0 H22 DG A 6 -3.570 1.861 16.162 1.00 0.79 H new ATOM 186 P DG A 7 -0.797 8.773 24.086 1.00 0.56 P ATOM 187 OP1 DG A 7 -1.646 9.932 24.441 1.00 1.61 O ATOM 188 OP2 DG A 7 0.676 8.889 24.172 1.00 1.26 O ATOM 189 O5' DG A 7 -1.257 7.519 24.998 1.00 0.49 O ATOM 190 C5' DG A 7 -1.514 6.250 24.397 1.00 0.49 C ATOM 191 C4' DG A 7 -1.336 5.107 25.300 1.00 0.55 C ATOM 192 O4' DG A 7 -1.375 3.935 24.479 1.00 0.50 O ATOM 193 C3' DG A 7 0.021 5.202 25.936 1.00 0.59 C ATOM 194 O3' DG A 7 0.044 4.716 27.289 1.00 0.75 O ATOM 195 C2' DG A 7 0.829 4.352 25.091 1.00 0.53 C ATOM 196 C1' DG A 7 -0.144 3.289 24.662 1.00 0.49 C ATOM 197 N9 DG A 7 0.330 2.550 23.478 1.00 0.40 N ATOM 198 C8 DG A 7 0.939 3.023 22.368 1.00 0.35 C ATOM 199 N7 DG A 7 1.355 2.162 21.496 1.00 0.34 N ATOM 200 C5 DG A 7 0.978 0.952 22.089 1.00 0.34 C ATOM 201 C6 DG A 7 1.151 -0.387 21.633 1.00 0.36 C ATOM 202 O6 DG A 7 1.701 -0.794 20.601 1.00 0.40 O ATOM 203 N1 DG A 7 0.620 -1.296 22.535 1.00 0.40 N ATOM 204 C2 DG A 7 0.001 -0.980 23.724 1.00 0.45 C ATOM 205 N2 DG A 7 -0.462 -2.007 24.436 1.00 0.53 N ATOM 206 N3 DG A 7 -0.162 0.270 24.164 1.00 0.46 N ATOM 207 C4 DG A 7 0.345 1.184 23.305 1.00 0.39 C ATOM 0 H5' DG A 7 -0.853 6.127 23.539 1.00 0.49 H new ATOM 0 H5'' DG A 7 -2.535 6.242 24.016 1.00 0.49 H new ATOM 0 H4' DG A 7 -2.101 5.083 26.076 1.00 0.55 H new ATOM 0 H3' DG A 7 0.364 6.234 26.006 1.00 0.59 H new ATOM 0 H2' DG A 7 1.235 4.897 24.239 1.00 0.53 H new ATOM 0 H2'' DG A 7 1.676 3.931 25.632 1.00 0.53 H new ATOM 0 H1' DG A 7 -0.250 2.512 25.419 1.00 0.49 H new ATOM 0 H8 DG A 7 1.074 4.083 22.214 1.00 0.35 H new ATOM 0 H1 DG A 7 0.694 -2.285 22.297 1.00 0.40 H new ATOM 0 H21 DG A 7 -0.931 -1.840 25.326 1.00 0.53 H new ATOM 0 H22 DG A 7 -0.348 -2.960 24.091 1.00 0.53 H new ATOM 219 P DA A 8 -1.093 5.053 28.389 1.00 0.71 P ATOM 220 OP1 DA A 8 -2.421 5.036 27.737 1.00 1.12 O ATOM 221 OP2 DA A 8 -0.658 6.237 29.163 1.00 1.75 O ATOM 222 O5' DA A 8 -0.977 3.754 29.336 1.00 0.82 O ATOM 223 C5' DA A 8 -0.407 2.556 28.792 1.00 0.78 C ATOM 224 C4' DA A 8 0.924 2.175 29.482 1.00 0.83 C ATOM 225 O4' DA A 8 1.721 1.281 28.643 1.00 0.77 O ATOM 226 C3' DA A 8 1.743 3.437 29.792 1.00 0.84 C ATOM 227 O3' DA A 8 1.760 3.634 31.211 1.00 1.00 O ATOM 228 C2' DA A 8 3.257 3.097 29.294 1.00 0.82 C ATOM 229 C1' DA A 8 3.145 1.593 28.675 1.00 0.80 C ATOM 230 N9 DA A 8 3.649 1.579 27.279 1.00 0.69 N ATOM 231 C8 DA A 8 3.719 2.579 26.359 1.00 0.60 C ATOM 232 N7 DA A 8 4.156 2.280 25.184 1.00 0.58 N ATOM 233 C5 DA A 8 4.415 0.916 25.317 1.00 0.63 C ATOM 234 C6 DA A 8 4.904 -0.042 24.425 1.00 0.67 C ATOM 235 N6 DA A 8 5.231 0.241 23.165 1.00 0.68 N ATOM 236 N1 DA A 8 5.037 -1.300 24.879 1.00 0.73 N ATOM 237 C2 DA A 8 4.708 -1.602 26.137 1.00 0.78 C ATOM 238 N3 DA A 8 4.235 -0.774 27.065 1.00 0.79 N ATOM 239 C4 DA A 8 4.111 0.480 26.586 1.00 0.70 C ATOM 0 H5' DA A 8 -0.235 2.690 27.724 1.00 0.78 H new ATOM 0 H5'' DA A 8 -1.117 1.736 28.900 1.00 0.78 H new ATOM 0 H4' DA A 8 0.677 1.658 30.409 1.00 0.83 H new ATOM 0 H3' DA A 8 1.337 4.327 29.311 1.00 0.84 H new ATOM 0 H2' DA A 8 3.600 3.811 28.546 1.00 0.82 H new ATOM 0 H2'' DA A 8 3.966 3.136 30.121 1.00 0.82 H new ATOM 0 HO3' DA A 8 2.281 4.436 31.424 1.00 1.00 H new ATOM 0 H1' DA A 8 3.722 0.883 29.267 1.00 0.80 H new ATOM 0 H8 DA A 8 3.419 3.587 26.605 1.00 0.60 H new ATOM 0 H61 DA A 8 5.584 -0.494 22.552 1.00 0.68 H new ATOM 0 H62 DA A 8 5.128 1.193 22.813 1.00 0.68 H new ATOM 0 H2 DA A 8 4.840 -2.632 26.434 1.00 0.78 H new TER 252 DA A 8 ATOM 253 O5' DT B 9 4.856 -7.754 23.837 1.00 1.32 O ATOM 254 C5' DT B 9 4.099 -8.462 24.823 1.00 0.73 C ATOM 255 C4' DT B 9 2.604 -8.187 24.685 1.00 0.65 C ATOM 256 O4' DT B 9 2.351 -6.766 24.821 1.00 0.59 O ATOM 257 C3' DT B 9 2.105 -8.640 23.284 1.00 0.62 C ATOM 258 O3' DT B 9 1.071 -9.619 23.443 1.00 0.63 O ATOM 259 C2' DT B 9 1.494 -7.320 22.619 1.00 0.55 C ATOM 260 C1' DT B 9 1.722 -6.196 23.642 1.00 0.53 C ATOM 261 N1 DT B 9 2.581 -5.143 23.074 1.00 0.53 N ATOM 262 C2 DT B 9 2.656 -3.930 23.735 1.00 0.54 C ATOM 263 O2 DT B 9 1.985 -3.681 24.735 1.00 0.54 O ATOM 264 N3 DT B 9 3.532 -3.005 23.199 1.00 0.58 N ATOM 265 C4 DT B 9 4.325 -3.184 22.078 1.00 0.62 C ATOM 266 O4 DT B 9 5.073 -2.289 21.692 1.00 0.69 O ATOM 267 C5 DT B 9 4.177 -4.480 21.452 1.00 0.62 C ATOM 268 C7 DT B 9 5.018 -4.810 20.214 1.00 0.70 C ATOM 269 C6 DT B 9 3.321 -5.399 21.960 1.00 0.58 C ATOM 0 H5' DT B 9 4.433 -8.170 25.819 1.00 0.73 H new ATOM 0 H5'' DT B 9 4.284 -9.532 24.726 1.00 0.73 H new ATOM 0 H4' DT B 9 2.078 -8.739 25.464 1.00 0.65 H new ATOM 0 H3' DT B 9 2.898 -9.079 22.679 1.00 0.62 H new ATOM 0 H2' DT B 9 1.986 -7.094 21.673 1.00 0.55 H new ATOM 0 H2'' DT B 9 0.433 -7.445 22.404 1.00 0.55 H new ATOM 0 HO5' DT B 9 4.279 -7.100 23.389 1.00 1.32 H new ATOM 0 H1' DT B 9 0.765 -5.745 23.906 1.00 0.53 H new ATOM 0 H3 DT B 9 3.601 -2.105 23.674 1.00 0.58 H new ATOM 0 H71 DT B 9 5.223 -3.895 19.659 1.00 0.70 H new ATOM 0 H72 DT B 9 5.959 -5.265 20.524 1.00 0.70 H new ATOM 0 H73 DT B 9 4.471 -5.506 19.577 1.00 0.70 H new ATOM 0 H6 DT B 9 3.223 -6.357 21.470 1.00 0.58 H new ATOM 283 P DC B 10 0.599 -10.522 22.194 1.00 0.69 P ATOM 284 OP1 DC B 10 0.135 -11.827 22.716 1.00 1.79 O ATOM 285 OP2 DC B 10 1.653 -10.474 21.156 1.00 1.13 O ATOM 286 O5' DC B 10 -0.679 -9.712 21.650 1.00 0.62 O ATOM 287 C5' DC B 10 -1.801 -9.491 22.505 1.00 0.63 C ATOM 288 C4' DC B 10 -2.490 -8.165 22.206 1.00 0.57 C ATOM 289 O4' DC B 10 -1.509 -7.079 22.321 1.00 0.53 O ATOM 290 C3' DC B 10 -3.104 -8.157 20.841 1.00 0.54 C ATOM 291 O3' DC B 10 -4.538 -8.117 20.974 1.00 0.57 O ATOM 292 C2' DC B 10 -2.690 -6.836 20.276 1.00 0.48 C ATOM 293 C1' DC B 10 -1.785 -6.085 21.342 1.00 0.47 C ATOM 294 N1 DC B 10 -0.548 -5.485 20.764 1.00 0.44 N ATOM 295 C2 DC B 10 -0.256 -4.205 21.217 1.00 0.44 C ATOM 296 O2 DC B 10 -0.944 -3.685 22.099 1.00 0.47 O ATOM 297 N3 DC B 10 0.802 -3.554 20.689 1.00 0.43 N ATOM 298 C4 DC B 10 1.564 -4.110 19.761 1.00 0.44 C ATOM 299 N4 DC B 10 2.566 -3.395 19.251 1.00 0.48 N ATOM 300 C5 DC B 10 1.294 -5.437 19.289 1.00 0.46 C ATOM 301 C6 DC B 10 0.229 -6.086 19.812 1.00 0.45 C ATOM 0 H5' DC B 10 -1.473 -9.504 23.545 1.00 0.63 H new ATOM 0 H5'' DC B 10 -2.515 -10.306 22.386 1.00 0.63 H new ATOM 0 H4' DC B 10 -3.294 -8.023 22.928 1.00 0.57 H new ATOM 0 H3' DC B 10 -2.810 -9.020 20.244 1.00 0.54 H new ATOM 0 H2' DC B 10 -2.139 -6.979 19.347 1.00 0.48 H new ATOM 0 H2'' DC B 10 -3.568 -6.236 20.037 1.00 0.48 H new ATOM 0 H1' DC B 10 -2.296 -5.218 21.760 1.00 0.47 H new ATOM 0 H41 DC B 10 3.168 -3.800 18.534 1.00 0.48 H new ATOM 0 H42 DC B 10 2.731 -2.443 19.577 1.00 0.48 H new ATOM 0 H5 DC B 10 1.920 -5.902 18.542 1.00 0.46 H new ATOM 0 H6 DC B 10 -0.009 -7.084 19.476 1.00 0.45 H new ATOM 313 P DC B 11 -5.501 -7.705 19.740 1.00 0.57 P ATOM 314 OP1 DC B 11 -6.903 -7.959 20.143 1.00 1.67 O ATOM 315 OP2 DC B 11 -4.965 -8.320 18.505 1.00 1.11 O ATOM 316 O5' DC B 11 -5.283 -6.104 19.645 1.00 0.51 O ATOM 317 C5' DC B 11 -5.819 -5.230 20.650 1.00 0.61 C ATOM 318 C4' DC B 11 -6.266 -3.888 20.068 1.00 0.58 C ATOM 319 O4' DC B 11 -5.176 -2.974 19.899 1.00 0.63 O ATOM 320 C3' DC B 11 -6.952 -4.065 18.740 1.00 0.49 C ATOM 321 O3' DC B 11 -8.271 -3.515 18.847 1.00 0.60 O ATOM 322 C2' DC B 11 -6.116 -3.273 17.732 1.00 0.48 C ATOM 323 C1' DC B 11 -5.278 -2.326 18.619 1.00 0.59 C ATOM 324 N1 DC B 11 -3.912 -2.146 18.111 1.00 0.58 N ATOM 325 C2 DC B 11 -3.470 -0.867 17.806 1.00 0.83 C ATOM 326 O2 DC B 11 -4.260 0.075 17.771 1.00 1.09 O ATOM 327 N3 DC B 11 -2.145 -0.699 17.542 1.00 0.81 N ATOM 328 C4 DC B 11 -1.297 -1.735 17.579 1.00 0.56 C ATOM 329 N4 DC B 11 -0.001 -1.531 17.335 1.00 0.55 N ATOM 330 C5 DC B 11 -1.766 -3.051 17.887 1.00 0.41 C ATOM 331 C6 DC B 11 -3.065 -3.202 18.127 1.00 0.42 C ATOM 0 H5' DC B 11 -5.066 -5.058 21.419 1.00 0.61 H new ATOM 0 H5'' DC B 11 -6.666 -5.714 21.136 1.00 0.61 H new ATOM 0 H4' DC B 11 -6.965 -3.470 20.793 1.00 0.58 H new ATOM 0 H3' DC B 11 -7.036 -5.108 18.435 1.00 0.49 H new ATOM 0 H2' DC B 11 -5.482 -3.928 17.134 1.00 0.48 H new ATOM 0 H2'' DC B 11 -6.746 -2.718 17.037 1.00 0.48 H new ATOM 0 H1' DC B 11 -5.755 -1.347 18.650 1.00 0.59 H new ATOM 0 H41 DC B 11 0.652 -2.314 17.361 1.00 0.55 H new ATOM 0 H42 DC B 11 0.336 -0.592 17.123 1.00 0.55 H new ATOM 0 H5 DC B 11 -1.089 -3.892 17.923 1.00 0.41 H new ATOM 0 H6 DC B 11 -3.452 -4.188 18.339 1.00 0.42 H new ATOM 343 P DG B 12 -9.497 -4.080 17.980 1.00 0.66 P ATOM 344 OP1 DG B 12 -10.757 -3.683 18.648 1.00 1.48 O ATOM 345 OP2 DG B 12 -9.238 -5.506 17.676 1.00 1.65 O ATOM 346 O5' DG B 12 -9.358 -3.234 16.623 1.00 0.57 O ATOM 347 C5' DG B 12 -8.559 -3.729 15.554 1.00 0.72 C ATOM 348 C4' DG B 12 -8.557 -2.793 14.372 1.00 0.65 C ATOM 349 O4' DG B 12 -7.659 -1.672 14.590 1.00 0.66 O ATOM 350 C3' DG B 12 -8.126 -3.510 13.139 1.00 0.63 C ATOM 351 O3' DG B 12 -9.069 -3.283 12.080 1.00 0.63 O ATOM 352 C2' DG B 12 -6.787 -2.965 12.799 1.00 0.61 C ATOM 353 C1' DG B 12 -6.697 -1.624 13.515 1.00 0.61 C ATOM 354 N9 DG B 12 -5.325 -1.366 13.991 1.00 0.61 N ATOM 355 C8 DG B 12 -4.439 -2.225 14.518 1.00 0.65 C ATOM 356 N7 DG B 12 -3.257 -1.790 14.788 1.00 0.64 N ATOM 357 C5 DG B 12 -3.352 -0.456 14.393 1.00 0.60 C ATOM 358 C6 DG B 12 -2.377 0.571 14.433 1.00 0.58 C ATOM 359 O6 DG B 12 -1.212 0.497 14.816 1.00 0.59 O ATOM 360 N1 DG B 12 -2.871 1.775 13.951 1.00 0.55 N ATOM 361 C2 DG B 12 -4.164 1.964 13.474 1.00 0.54 C ATOM 362 N2 DG B 12 -4.483 3.192 13.038 1.00 0.53 N ATOM 363 N3 DG B 12 -5.086 0.993 13.432 1.00 0.55 N ATOM 364 C4 DG B 12 -4.619 -0.183 13.904 1.00 0.58 C ATOM 0 H5' DG B 12 -8.933 -4.705 15.243 1.00 0.72 H new ATOM 0 H5'' DG B 12 -7.537 -3.875 15.903 1.00 0.72 H new ATOM 0 H4' DG B 12 -9.575 -2.422 14.252 1.00 0.65 H new ATOM 0 H3' DG B 12 -8.079 -4.589 13.288 1.00 0.63 H new ATOM 0 H2' DG B 12 -5.995 -3.638 13.127 1.00 0.61 H new ATOM 0 H2'' DG B 12 -6.676 -2.842 11.722 1.00 0.61 H new ATOM 0 H1' DG B 12 -6.926 -0.795 12.845 1.00 0.61 H new ATOM 0 H8 DG B 12 -4.709 -3.253 14.710 1.00 0.65 H new ATOM 0 H1 DG B 12 -2.242 2.578 13.946 1.00 0.55 H new ATOM 0 H21 DG B 12 -5.419 3.379 12.679 1.00 0.53 H new ATOM 375 P DC B 13 -8.821 -3.866 10.598 1.00 0.67 P ATOM 376 OP1 DC B 13 -9.983 -3.502 9.757 1.00 1.46 O ATOM 377 OP2 DC B 13 -8.409 -5.283 10.717 1.00 1.56 O ATOM 378 O5' DC B 13 -7.548 -3.010 10.106 1.00 0.81 O ATOM 379 C5' DC B 13 -7.289 -2.809 8.715 1.00 0.67 C ATOM 380 C4' DC B 13 -7.898 -1.500 8.209 1.00 0.54 C ATOM 381 O4' DC B 13 -7.543 -0.418 9.094 1.00 0.56 O ATOM 382 C3' DC B 13 -7.347 -1.173 6.836 1.00 0.44 C ATOM 383 O3' DC B 13 -8.418 -0.976 5.905 1.00 0.40 O ATOM 384 C2' DC B 13 -6.543 0.105 6.984 1.00 0.39 C ATOM 385 C1' DC B 13 -6.672 0.531 8.428 1.00 0.46 C ATOM 386 N1 DC B 13 -5.374 0.590 9.085 1.00 0.48 N ATOM 387 C2 DC B 13 -4.577 1.734 9.132 1.00 0.45 C ATOM 388 O2 DC B 13 -4.913 2.770 8.563 1.00 0.45 O ATOM 389 N3 DC B 13 -3.413 1.651 9.850 1.00 0.47 N ATOM 390 C4 DC B 13 -3.085 0.502 10.475 1.00 0.52 C ATOM 391 N4 DC B 13 -1.951 0.432 11.173 1.00 0.55 N ATOM 392 C5 DC B 13 -3.949 -0.642 10.392 1.00 0.59 C ATOM 393 C6 DC B 13 -5.065 -0.490 9.663 1.00 0.56 C ATOM 0 H5' DC B 13 -7.696 -3.644 8.145 1.00 0.67 H new ATOM 0 H5'' DC B 13 -6.213 -2.800 8.543 1.00 0.67 H new ATOM 0 H4' DC B 13 -8.981 -1.619 8.168 1.00 0.54 H new ATOM 0 H3' DC B 13 -6.728 -1.987 6.459 1.00 0.44 H new ATOM 0 H2' DC B 13 -5.498 -0.062 6.721 1.00 0.39 H new ATOM 0 H2'' DC B 13 -6.920 0.880 6.316 1.00 0.39 H new ATOM 0 H1' DC B 13 -7.094 1.535 8.479 1.00 0.46 H new ATOM 0 H41 DC B 13 -1.697 -0.434 11.648 1.00 0.55 H new ATOM 0 H42 DC B 13 -1.337 1.245 11.232 1.00 0.55 H new ATOM 0 H5 DC B 13 -3.714 -1.572 10.888 1.00 0.59 H new ATOM 0 H6 DC B 13 -5.733 -1.333 9.565 1.00 0.56 H new ATOM 405 P DG B 14 -8.147 -0.917 4.321 1.00 0.92 P ATOM 406 OP1 DG B 14 -9.443 -1.073 3.623 1.00 1.73 O ATOM 407 OP2 DG B 14 -7.025 -1.830 4.005 1.00 1.83 O ATOM 408 O5' DG B 14 -7.639 0.594 4.116 1.00 0.74 O ATOM 409 C5' DG B 14 -8.555 1.648 3.799 1.00 0.40 C ATOM 410 C4' DG B 14 -7.803 2.923 3.446 1.00 0.43 C ATOM 411 O4' DG B 14 -6.759 3.146 4.404 1.00 0.47 O ATOM 412 C3' DG B 14 -7.194 2.814 2.070 1.00 0.44 C ATOM 413 O3' DG B 14 -7.540 3.947 1.253 1.00 0.48 O ATOM 414 C2' DG B 14 -5.716 2.745 2.304 1.00 0.48 C ATOM 415 C1' DG B 14 -5.493 3.036 3.763 1.00 0.46 C ATOM 416 N9 DG B 14 -4.677 2.022 4.379 1.00 0.44 N ATOM 417 C8 DG B 14 -4.793 0.750 4.200 1.00 0.43 C ATOM 418 N7 DG B 14 -3.964 -0.047 4.788 1.00 0.42 N ATOM 419 C5 DG B 14 -3.163 0.875 5.472 1.00 0.43 C ATOM 420 C6 DG B 14 -2.046 0.671 6.319 1.00 0.47 C ATOM 421 O6 DG B 14 -1.510 -0.388 6.642 1.00 0.47 O ATOM 422 N1 DG B 14 -1.544 1.875 6.789 1.00 0.53 N ATOM 423 C2 DG B 14 -2.049 3.125 6.488 1.00 0.55 C ATOM 424 N2 DG B 14 -1.423 4.165 7.040 1.00 0.64 N ATOM 425 N3 DG B 14 -3.101 3.325 5.692 1.00 0.51 N ATOM 426 C4 DG B 14 -3.605 2.163 5.221 1.00 0.45 C ATOM 0 H5' DG B 14 -9.214 1.831 4.647 1.00 0.40 H new ATOM 0 H5'' DG B 14 -9.187 1.349 2.963 1.00 0.40 H new ATOM 0 H4' DG B 14 -8.506 3.756 3.459 1.00 0.43 H new ATOM 0 H3' DG B 14 -7.562 1.940 1.532 1.00 0.44 H new ATOM 0 H2' DG B 14 -5.329 1.760 2.043 1.00 0.48 H new ATOM 0 H2'' DG B 14 -5.192 3.469 1.681 1.00 0.48 H new ATOM 0 H1' DG B 14 -4.953 3.977 3.868 1.00 0.46 H new ATOM 0 H8 DG B 14 -5.574 0.356 3.566 1.00 0.43 H new ATOM 0 H1 DG B 14 -0.735 1.834 7.408 1.00 0.53 H new ATOM 0 H21 DG B 14 -1.749 5.114 6.855 1.00 0.64 H new ATOM 0 H22 DG B 14 -0.618 4.012 7.647 1.00 0.64 H new ATOM 438 P DG B 15 -8.127 3.746 -0.244 1.00 0.50 P ATOM 439 OP1 DG B 15 -8.999 4.901 -0.554 1.00 1.49 O ATOM 440 OP2 DG B 15 -8.664 2.371 -0.352 1.00 1.30 O ATOM 441 O5' DG B 15 -6.812 3.847 -1.178 1.00 0.44 O ATOM 442 C5' DG B 15 -5.516 3.665 -0.609 1.00 0.37 C ATOM 443 C4' DG B 15 -4.510 3.148 -1.545 1.00 0.38 C ATOM 444 O4' DG B 15 -3.379 2.780 -0.750 1.00 0.32 O ATOM 445 C3' DG B 15 -5.052 1.916 -2.210 1.00 0.41 C ATOM 446 O3' DG B 15 -4.620 1.777 -3.574 1.00 0.50 O ATOM 447 C2' DG B 15 -4.500 0.851 -1.404 1.00 0.36 C ATOM 448 C1' DG B 15 -3.173 1.411 -0.973 1.00 0.32 C ATOM 449 N9 DG B 15 -2.620 0.690 0.186 1.00 0.28 N ATOM 450 C8 DG B 15 -3.256 0.238 1.291 1.00 0.27 C ATOM 451 N7 DG B 15 -2.572 -0.460 2.137 1.00 0.31 N ATOM 452 C5 DG B 15 -1.311 -0.482 1.533 1.00 0.31 C ATOM 453 C6 DG B 15 -0.100 -1.095 1.963 1.00 0.36 C ATOM 454 O6 DG B 15 0.109 -1.773 2.976 1.00 0.42 O ATOM 455 N1 DG B 15 0.926 -0.867 1.060 1.00 0.36 N ATOM 456 C2 DG B 15 0.822 -0.146 -0.108 1.00 0.34 C ATOM 457 N2 DG B 15 1.941 -0.022 -0.822 1.00 0.38 N ATOM 458 N3 DG B 15 -0.309 0.430 -0.525 1.00 0.32 N ATOM 459 C4 DG B 15 -1.332 0.226 0.337 1.00 0.29 C ATOM 0 H5' DG B 15 -5.596 2.979 0.235 1.00 0.37 H new ATOM 0 H5'' DG B 15 -5.169 4.619 -0.213 1.00 0.37 H new ATOM 0 H4' DG B 15 -4.251 3.884 -2.306 1.00 0.38 H new ATOM 0 H3' DG B 15 -6.141 1.930 -2.264 1.00 0.41 H new ATOM 0 H2' DG B 15 -5.137 0.618 -0.551 1.00 0.36 H new ATOM 0 H2'' DG B 15 -4.384 -0.070 -1.976 1.00 0.36 H new ATOM 0 H1' DG B 15 -2.411 1.278 -1.741 1.00 0.32 H new ATOM 0 H8 DG B 15 -4.301 0.453 1.461 1.00 0.27 H new ATOM 0 H1 DG B 15 1.838 -1.268 1.280 1.00 0.36 H new ATOM 0 H21 DG B 15 1.932 0.500 -1.698 1.00 0.38 H new ATOM 0 H22 DG B 15 2.806 -0.449 -0.492 1.00 0.38 H new ATOM 471 P DA B 16 -4.602 2.989 -4.644 1.00 1.03 P ATOM 472 OP1 DA B 16 -4.185 4.235 -3.962 1.00 1.89 O ATOM 473 OP2 DA B 16 -5.864 2.950 -5.417 1.00 1.91 O ATOM 474 O5' DA B 16 -3.401 2.511 -5.606 1.00 0.97 O ATOM 475 C5' DA B 16 -2.444 1.575 -5.093 1.00 0.85 C ATOM 476 C4' DA B 16 -2.506 0.213 -5.825 1.00 0.88 C ATOM 477 O4' DA B 16 -1.907 -0.850 -5.018 1.00 0.78 O ATOM 478 C3' DA B 16 -3.964 -0.156 -6.143 1.00 0.92 C ATOM 479 O3' DA B 16 -4.163 -0.068 -7.560 1.00 1.10 O ATOM 480 C2' DA B 16 -4.116 -1.715 -5.692 1.00 0.85 C ATOM 481 C1' DA B 16 -2.653 -2.101 -5.087 1.00 0.79 C ATOM 482 N9 DA B 16 -2.797 -2.628 -3.706 1.00 0.68 N ATOM 483 C8 DA B 16 -3.770 -2.412 -2.779 1.00 0.59 C ATOM 484 N7 DA B 16 -3.627 -2.967 -1.623 1.00 0.59 N ATOM 485 C5 DA B 16 -2.414 -3.639 -1.780 1.00 0.66 C ATOM 486 C6 DA B 16 -1.661 -4.441 -0.917 1.00 0.74 C ATOM 487 N6 DA B 16 -2.036 -4.716 0.332 1.00 0.79 N ATOM 488 N1 DA B 16 -0.508 -4.946 -1.389 1.00 0.81 N ATOM 489 C2 DA B 16 -0.116 -4.680 -2.637 1.00 0.82 C ATOM 490 N3 DA B 16 -0.751 -3.935 -3.538 1.00 0.79 N ATOM 491 C4 DA B 16 -1.902 -3.439 -3.042 1.00 0.70 C ATOM 0 H5' DA B 16 -2.623 1.422 -4.029 1.00 0.85 H new ATOM 0 H5'' DA B 16 -1.442 1.993 -5.191 1.00 0.85 H new ATOM 0 H4' DA B 16 -1.941 0.311 -6.752 1.00 0.88 H new ATOM 0 H3' DA B 16 -4.678 0.497 -5.640 1.00 0.92 H new ATOM 0 H2' DA B 16 -4.901 -1.839 -4.946 1.00 0.85 H new ATOM 0 H2'' DA B 16 -4.377 -2.351 -6.538 1.00 0.85 H new ATOM 0 HO3' DA B 16 -5.090 -0.303 -7.775 1.00 1.10 H new ATOM 0 H1' DA B 16 -2.161 -2.854 -5.703 1.00 0.79 H new ATOM 0 H8 DA B 16 -4.630 -1.799 -3.003 1.00 0.59 H new ATOM 0 H61 DA B 16 -1.450 -5.307 0.922 1.00 0.79 H new ATOM 0 H62 DA B 16 -2.909 -4.335 0.698 1.00 0.79 H new ATOM 0 H2 DA B 16 0.820 -5.118 -2.950 1.00 0.82 H new TER 504 DA B 16 HETATM 505 C1 TME B 1 -3.487 4.296 13.074 1.00 0.53 C HETATM 506 C2 TME B 1 -3.677 5.222 11.879 1.00 0.52 C HETATM 507 C3 TME B 1 -2.861 4.714 10.696 1.00 0.52 C HETATM 0 H32 TME B 1 -3.192 3.710 10.430 1.00 0.52 H new HETATM 0 H31 TME B 1 -3.001 5.380 9.845 1.00 0.52 H new HETATM 0 H22 TME B 1 -4.732 5.271 11.610 1.00 0.52 H new HETATM 0 H21 TME B 1 -3.366 6.234 12.139 1.00 0.52 H new HETATM 0 H12 TME B 1 -2.433 4.269 13.349 1.00 0.53 H new HETATM 0 H11 TME B 1 -4.073 4.664 13.916 1.00 0.53 H new CONECT 110 507 CONECT 362 505 CONECT 505 362 506 508 509 CONECT 506 505 507 510 511 CONECT 507 110 506 512 513 CONECT 508 505 CONECT 509 505 CONECT 510 506 CONECT 511 506 CONECT 512 507 CONECT 513 507 END