USER MOD reduce.3.24.130724 H: found=0, std=0, add=185, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 186 hydrogens (6 hets) HEADER DNA 23-JAN-01 1HZ2 TITLE SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'- TITLE 2 D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE TITLE 3 N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA DUPLEX, INTERSTRAND CROSSLINK EXPDTA SOLUTION NMR AUTHOR P.A.DOOLEY,D.TSAROUHTSIS,G.A.KORBEL,L.V.NECHEV,J.SHEARER, AUTHOR 2 I.S.ZEGAR,C.M.HARRIS,M.P.STONE,T.M.HARRIS REVDAT 3 24-FEB-09 1HZ2 1 VERSN REVDAT 2 01-AUG-01 1HZ2 1 JRNL REVDAT 1 07-FEB-01 1HZ2 0 JRNL AUTH P.A.DOOLEY,D.TSAROUHTSIS,G.A.KORBEL,L.V.NECHEV, JRNL AUTH 2 J.SHEARER,I.S.ZEGAR,C.M.HARRIS,M.P.STONE,T.M.HARRIS JRNL TITL STRUCTURAL STUDIES OF AN OLIGODEOXYNUCLEOTIDE JRNL TITL 2 CONTAINING A TRIMETHYLENE INTERSTRAND CROSS-LINK JRNL TITL 3 IN A 5'-(CPG) MOTIF: MODEL OF A MALONDIALDEHYDE JRNL TITL 4 CROSS-LINK. JRNL REF J.AM.CHEM.SOC. V. 123 1730 2001 JRNL REFN ISSN 0002-7863 JRNL PMID 11456774 JRNL DOI 10.1021/JA003163W REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER, A. T. 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 1HZ2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-01. REMARK 100 THE RCSB ID CODE IS RCSB012701. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 298 REMARK 210 PH : 7.1; 7.1 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : AMBIENT; 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, CPANEL, SPHINX & LINSHA 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 DA A 1 C8 DA A 1 N9 -0.107 REMARK 500 DG A 2 C8 DG A 2 N9 -0.064 REMARK 500 DC A 4 C4' DC A 4 C3' -0.080 REMARK 500 DC A 4 C3' DC A 4 C2' 0.100 REMARK 500 DC A 4 C2' DC A 4 C1' 0.068 REMARK 500 DG A 5 C8 DG A 5 N9 -0.048 REMARK 500 DG A 5 N9 DG A 5 C4 -0.050 REMARK 500 DC A 6 O4' DC A 6 C1' -0.086 REMARK 500 DC A 6 O4' DC A 6 C4' -0.129 REMARK 500 DC A 6 C1' DC A 6 N1 -0.114 REMARK 500 DC A 6 N1 DC A 6 C6 -0.100 REMARK 500 DC A 6 C5 DC A 6 C6 -0.106 REMARK 500 DC A 7 C3' DC A 7 C2' 0.077 REMARK 500 DT A 8 C5 DT A 8 C6 0.074 REMARK 500 DT A 8 C5 DT A 8 C7 0.075 REMARK 500 DA B 9 C8 DA B 9 N9 -0.107 REMARK 500 DG B 10 C8 DG B 10 N9 -0.064 REMARK 500 DC B 12 C4' DC B 12 C3' -0.080 REMARK 500 DC B 12 C3' DC B 12 C2' 0.102 REMARK 500 DC B 12 C2' DC B 12 C1' 0.064 REMARK 500 DG B 13 C8 DG B 13 N9 -0.046 REMARK 500 DC B 14 O4' DC B 14 C1' -0.086 REMARK 500 DC B 14 O4' DC B 14 C4' -0.130 REMARK 500 DC B 14 C1' DC B 14 N1 -0.115 REMARK 500 DC B 14 N1 DC B 14 C6 -0.105 REMARK 500 DC B 14 C5 DC B 14 C6 -0.106 REMARK 500 DC B 15 C3' DC B 15 C2' 0.085 REMARK 500 DT B 16 C5 DT B 16 C6 0.072 REMARK 500 DT B 16 C5 DT B 16 C7 0.069 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 DA A 1 C5 - N7 - C8 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA A 1 N7 - C8 - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 2 C5 - N7 - C8 ANGL. DEV. = -3.3 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC A 4 O4' - C4' - C3' ANGL. DEV. = 4.3 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 11.2 DEGREES REMARK 500 DG A 5 C5 - N7 - C8 ANGL. DEV. = -3.6 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG A 5 N3 - C4 - N9 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC A 6 C5' - C4' - O4' ANGL. DEV. = -12.6 DEGREES REMARK 500 DC A 6 C6 - N1 - C2 ANGL. DEV. = 5.4 DEGREES REMARK 500 DC A 6 C6 - N1 - C1' ANGL. DEV. = -12.1 DEGREES REMARK 500 DC A 6 C2 - N1 - C1' ANGL. DEV. = 6.7 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DC A 6 C3' - O3' - P ANGL. DEV. = 10.6 DEGREES REMARK 500 DA B 9 C5 - N7 - C8 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 9 N7 - C8 - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 DG B 10 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 10 C5 - N7 - C8 ANGL. DEV. = -3.3 DEGREES REMARK 500 DG B 10 N7 - C8 - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 DG B 11 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG B 11 C8 - N9 - C4 ANGL. DEV. = -3.4 DEGREES REMARK 500 DC B 12 O4' - C4' - C3' ANGL. DEV. = 3.8 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 12.6 DEGREES REMARK 500 DG B 13 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DC B 14 C5' - C4' - O4' ANGL. DEV. = -12.2 DEGREES REMARK 500 DC B 14 C6 - N1 - C2 ANGL. DEV. = 5.2 DEGREES REMARK 500 DC B 14 N3 - C4 - C5 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC B 14 C6 - N1 - C1' ANGL. DEV. = -11.8 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DC B 14 C3' - O3' - P ANGL. DEV. = 10.7 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 16 C5 - C6 - N1 ANGL. DEV. = -3.8 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 DG A 3 0.05 SIDE_CHAIN REMARK 500 DG B 11 0.05 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 A 9 DBREF 1HZ2 A 1 8 PDB 1HZ2 1HZ2 1 8 DBREF 1HZ2 B 9 16 PDB 1HZ2 1HZ2 9 16 SEQRES 1 A 8 DA DG DG DC DG DC DC DT SEQRES 1 B 8 DA DG DG DC DG DC DC DT HET TME A 9 9 HETNAM TME PROPANE FORMUL 3 TME C3 H8 LINK N2 DG A 5 C3 TME A 9 1555 1555 1.46 LINK N2 DG B 13 C1 TME A 9 1555 1555 1.47 SITE *** AC1 4 DG A 5 DC A 6 DG B 13 DC B 14 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 5 DG H22 : A 5 DG N2 : A 9 TME C3 :(H bumps) USER MOD NoAdj-H: B 13 DG H22 : B 13 DG N2 : A 9 TME C1 :(H bumps) USER MOD NoAdj-H: A 9 TME H32 : A 9 TME C3 : A 5 DG N2 :(H bumps) USER MOD NoAdj-H: A 9 TME H31 : A 9 TME C3 : A 5 DG N2 :(H bumps) USER MOD NoAdj-H: A 9 TME H11 : A 9 TME C1 : B 13 DG N2 :(H bumps) USER MOD Single : A 1 DA O5' : rot 48:sc= 0.00113 USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DA O5' : rot 46:sc= 0.0687 USER MOD Single : B 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 3.866 -1.637 -4.302 1.00 1.65 O ATOM 2 C5' DA A 1 4.882 -2.070 -3.393 1.00 1.55 C ATOM 3 C4' DA A 1 4.279 -2.570 -2.086 1.00 0.99 C ATOM 4 O4' DA A 1 3.515 -1.537 -1.397 1.00 1.01 O ATOM 5 C3' DA A 1 3.433 -3.777 -2.265 1.00 0.66 C ATOM 6 O3' DA A 1 4.285 -4.946 -2.343 1.00 1.01 O ATOM 7 C2' DA A 1 2.669 -3.702 -0.946 1.00 0.34 C ATOM 8 C1' DA A 1 2.398 -2.167 -0.769 1.00 0.74 C ATOM 9 N9 DA A 1 1.192 -1.759 -1.414 1.00 0.81 N ATOM 10 C8 DA A 1 0.099 -2.389 -1.310 1.00 1.64 C ATOM 11 N7 DA A 1 -0.984 -1.874 -1.795 1.00 1.70 N ATOM 12 C5 DA A 1 -0.477 -0.671 -2.307 1.00 0.69 C ATOM 13 C6 DA A 1 -1.059 0.413 -2.971 1.00 0.59 C ATOM 14 N6 DA A 1 -2.356 0.479 -3.267 1.00 0.67 N ATOM 15 N1 DA A 1 -0.248 1.429 -3.321 1.00 1.46 N ATOM 16 C2 DA A 1 1.058 1.380 -3.039 1.00 1.93 C ATOM 17 N3 DA A 1 1.710 0.402 -2.417 1.00 1.44 N ATOM 18 C4 DA A 1 0.875 -0.597 -2.076 1.00 0.55 C ATOM 0 H5' DA A 1 5.566 -1.246 -3.189 1.00 1.55 H new ATOM 0 H5'' DA A 1 5.469 -2.865 -3.853 1.00 1.55 H new ATOM 0 H4' DA A 1 5.133 -2.844 -1.467 1.00 0.99 H new ATOM 0 H3' DA A 1 2.805 -3.830 -3.154 1.00 0.66 H new ATOM 0 H2' DA A 1 1.741 -4.272 -0.987 1.00 0.34 H new ATOM 0 H2'' DA A 1 3.254 -4.105 -0.119 1.00 0.34 H new ATOM 0 HO5' DA A 1 3.237 -1.049 -3.834 1.00 1.65 H new ATOM 0 H1' DA A 1 2.283 -1.904 0.282 1.00 0.74 H new ATOM 0 H8 DA A 1 0.071 -3.351 -0.819 1.00 1.64 H new ATOM 0 H61 DA A 1 -2.727 1.295 -3.753 1.00 0.67 H new ATOM 0 H62 DA A 1 -2.978 -0.287 -3.007 1.00 0.67 H new ATOM 0 H2 DA A 1 1.649 2.229 -3.351 1.00 1.93 H new ATOM 31 P DG A 2 4.212 -6.171 -1.278 1.00 1.18 P ATOM 32 OP1 DG A 2 5.444 -6.979 -1.422 1.00 1.16 O ATOM 33 OP2 DG A 2 2.889 -6.820 -1.417 1.00 2.29 O ATOM 34 O5' DG A 2 4.258 -5.431 0.163 1.00 0.93 O ATOM 35 C5' DG A 2 5.477 -5.251 0.913 1.00 0.47 C ATOM 36 C4' DG A 2 5.595 -3.808 1.425 1.00 0.38 C ATOM 37 O4' DG A 2 4.305 -3.180 1.418 1.00 0.33 O ATOM 38 C3' DG A 2 6.173 -3.727 2.810 1.00 0.36 C ATOM 39 O3' DG A 2 7.505 -3.162 2.778 1.00 0.37 O ATOM 40 C2' DG A 2 5.189 -2.878 3.587 1.00 0.29 C ATOM 41 C1' DG A 2 4.175 -2.377 2.581 1.00 0.26 C ATOM 42 N9 DG A 2 2.815 -2.406 3.088 1.00 0.22 N ATOM 43 C8 DG A 2 1.995 -3.428 3.107 1.00 0.25 C ATOM 44 N7 DG A 2 0.779 -3.240 3.498 1.00 0.23 N ATOM 45 C5 DG A 2 0.800 -1.872 3.782 1.00 0.18 C ATOM 46 C6 DG A 2 -0.229 -1.021 4.255 1.00 0.15 C ATOM 47 O6 DG A 2 -1.402 -1.301 4.489 1.00 0.16 O ATOM 48 N1 DG A 2 0.226 0.284 4.409 1.00 0.15 N ATOM 49 C2 DG A 2 1.510 0.717 4.136 1.00 0.18 C ATOM 50 N2 DG A 2 1.765 2.005 4.368 1.00 0.24 N ATOM 51 N3 DG A 2 2.479 -0.080 3.685 1.00 0.19 N ATOM 52 C4 DG A 2 2.059 -1.352 3.534 1.00 0.18 C ATOM 0 H5' DG A 2 6.335 -5.490 0.284 1.00 0.47 H new ATOM 0 H5'' DG A 2 5.497 -5.943 1.755 1.00 0.47 H new ATOM 0 H4' DG A 2 6.278 -3.291 0.751 1.00 0.38 H new ATOM 0 H3' DG A 2 6.297 -4.703 3.278 1.00 0.36 H new ATOM 0 H2' DG A 2 4.705 -3.462 4.370 1.00 0.29 H new ATOM 0 H2'' DG A 2 5.695 -2.046 4.077 1.00 0.29 H new ATOM 0 H1' DG A 2 4.375 -1.329 2.359 1.00 0.26 H new ATOM 0 H8 DG A 2 2.330 -4.408 2.802 1.00 0.25 H new ATOM 0 H1 DG A 2 -0.441 0.977 4.750 1.00 0.15 H new ATOM 0 H21 DG A 2 2.695 2.382 4.185 1.00 0.24 H new ATOM 0 H22 DG A 2 1.030 2.614 4.728 1.00 0.24 H new ATOM 64 P DG A 3 8.063 -2.127 3.891 1.00 0.35 P ATOM 65 OP1 DG A 3 9.379 -1.629 3.435 1.00 1.22 O ATOM 66 OP2 DG A 3 7.941 -2.768 5.219 1.00 1.44 O ATOM 67 O5' DG A 3 7.014 -0.912 3.827 1.00 0.29 O ATOM 68 C5' DG A 3 7.186 0.147 2.890 1.00 0.29 C ATOM 69 C4' DG A 3 6.989 1.513 3.540 1.00 0.28 C ATOM 70 O4' DG A 3 5.670 1.639 4.135 1.00 0.25 O ATOM 71 C3' DG A 3 7.977 1.746 4.653 1.00 0.31 C ATOM 72 O3' DG A 3 8.373 3.141 4.597 1.00 0.36 O ATOM 73 C2' DG A 3 7.241 1.374 5.942 1.00 0.28 C ATOM 74 C1' DG A 3 5.753 1.491 5.589 1.00 0.22 C ATOM 75 N9 DG A 3 4.972 0.295 6.014 1.00 0.19 N ATOM 76 C8 DG A 3 5.234 -1.056 5.955 1.00 0.27 C ATOM 77 N7 DG A 3 4.261 -1.859 6.256 1.00 0.32 N ATOM 78 C5 DG A 3 3.230 -0.964 6.558 1.00 0.27 C ATOM 79 C6 DG A 3 1.882 -1.206 6.961 1.00 0.34 C ATOM 80 O6 DG A 3 1.282 -2.287 7.084 1.00 0.44 O ATOM 81 N1 DG A 3 1.203 -0.012 7.165 1.00 0.35 N ATOM 82 C2 DG A 3 1.732 1.253 7.001 1.00 0.33 C ATOM 83 N2 DG A 3 0.921 2.281 7.238 1.00 0.44 N ATOM 84 N3 DG A 3 2.979 1.481 6.623 1.00 0.26 N ATOM 85 C4 DG A 3 3.669 0.345 6.419 1.00 0.20 C ATOM 0 H5' DG A 3 6.476 0.028 2.072 1.00 0.29 H new ATOM 0 H5'' DG A 3 8.185 0.091 2.457 1.00 0.29 H new ATOM 0 H4' DG A 3 7.126 2.239 2.738 1.00 0.28 H new ATOM 0 H3' DG A 3 8.888 1.152 4.585 1.00 0.31 H new ATOM 0 H2' DG A 3 7.493 0.364 6.264 1.00 0.28 H new ATOM 0 H2'' DG A 3 7.508 2.045 6.758 1.00 0.28 H new ATOM 0 H1' DG A 3 5.325 2.345 6.114 1.00 0.22 H new ATOM 0 H8 DG A 3 6.206 -1.430 5.671 1.00 0.27 H new ATOM 0 H1 DG A 3 0.229 -0.075 7.462 1.00 0.35 H new ATOM 0 H21 DG A 3 1.263 3.236 7.131 1.00 0.44 H new ATOM 0 H22 DG A 3 -0.043 2.114 7.526 1.00 0.44 H new ATOM 97 P DC A 4 8.240 4.177 5.837 1.00 0.39 P ATOM 98 OP1 DC A 4 9.074 5.363 5.540 1.00 1.20 O ATOM 99 OP2 DC A 4 8.437 3.437 7.105 1.00 1.47 O ATOM 100 O5' DC A 4 6.683 4.611 5.728 1.00 0.36 O ATOM 101 C5' DC A 4 6.172 5.823 6.314 1.00 0.41 C ATOM 102 C4' DC A 4 5.643 5.575 7.726 1.00 0.38 C ATOM 103 O4' DC A 4 4.826 4.366 7.775 1.00 0.31 O ATOM 104 C3' DC A 4 6.710 5.497 8.691 1.00 0.40 C ATOM 105 O3' DC A 4 7.114 6.813 9.189 1.00 0.48 O ATOM 106 C2' DC A 4 5.932 4.651 9.830 1.00 0.35 C ATOM 107 C1' DC A 4 4.653 4.014 9.139 1.00 0.29 C ATOM 108 N1 DC A 4 4.441 2.511 9.327 1.00 0.24 N ATOM 109 C2 DC A 4 3.115 2.051 9.510 1.00 0.22 C ATOM 110 O2 DC A 4 2.180 2.848 9.626 1.00 0.24 O ATOM 111 N3 DC A 4 2.893 0.693 9.567 1.00 0.20 N ATOM 112 C4 DC A 4 3.922 -0.169 9.446 1.00 0.22 C ATOM 113 N4 DC A 4 3.707 -1.473 9.469 1.00 0.23 N ATOM 114 C5 DC A 4 5.250 0.287 9.271 1.00 0.24 C ATOM 115 C6 DC A 4 5.459 1.610 9.228 1.00 0.25 C ATOM 0 H5' DC A 4 5.374 6.224 5.689 1.00 0.41 H new ATOM 0 H5'' DC A 4 6.960 6.575 6.345 1.00 0.41 H new ATOM 0 H4' DC A 4 5.018 6.429 7.988 1.00 0.38 H new ATOM 0 H3' DC A 4 7.643 5.072 8.321 1.00 0.40 H new ATOM 0 H2' DC A 4 6.576 3.874 10.241 1.00 0.35 H new ATOM 0 H2'' DC A 4 5.642 5.296 10.659 1.00 0.35 H new ATOM 0 H1' DC A 4 3.744 4.398 9.603 1.00 0.29 H new ATOM 0 H41 DC A 4 4.490 -2.121 9.377 1.00 0.23 H new ATOM 0 H42 DC A 4 2.758 -1.832 9.579 1.00 0.23 H new ATOM 0 H5 DC A 4 6.070 -0.410 9.175 1.00 0.24 H new ATOM 0 H6 DC A 4 6.469 1.975 9.111 1.00 0.25 H new ATOM 127 P DG A 5 7.450 7.126 10.758 1.00 0.54 P ATOM 128 OP1 DG A 5 8.867 7.551 10.820 1.00 1.32 O ATOM 129 OP2 DG A 5 7.020 5.986 11.593 1.00 1.45 O ATOM 130 O5' DG A 5 6.553 8.412 11.145 1.00 0.61 O ATOM 131 C5' DG A 5 6.414 8.790 12.530 1.00 0.67 C ATOM 132 C4' DG A 5 5.157 8.166 13.130 1.00 0.61 C ATOM 133 O4' DG A 5 4.872 6.920 12.416 1.00 0.48 O ATOM 134 C3' DG A 5 5.332 7.842 14.618 1.00 0.65 C ATOM 135 O3' DG A 5 4.168 8.157 15.420 1.00 0.66 O ATOM 136 C2' DG A 5 5.598 6.343 14.560 1.00 0.56 C ATOM 137 C1' DG A 5 4.757 5.932 13.414 1.00 0.45 C ATOM 138 N9 DG A 5 4.899 4.566 13.064 1.00 0.34 N ATOM 139 C8 DG A 5 5.879 3.687 13.223 1.00 0.38 C ATOM 140 N7 DG A 5 5.575 2.433 13.029 1.00 0.34 N ATOM 141 C5 DG A 5 4.205 2.536 12.752 1.00 0.22 C ATOM 142 C6 DG A 5 3.221 1.557 12.495 1.00 0.20 C ATOM 143 O6 DG A 5 3.367 0.349 12.373 1.00 0.31 O ATOM 144 N1 DG A 5 1.957 2.143 12.346 1.00 0.14 N ATOM 145 C2 DG A 5 1.697 3.499 12.432 1.00 0.15 C ATOM 146 N2 DG A 5 0.427 3.943 12.427 1.00 0.24 N ATOM 147 N3 DG A 5 2.625 4.383 12.617 1.00 0.22 N ATOM 148 C4 DG A 5 3.827 3.841 12.781 1.00 0.23 C ATOM 0 H5' DG A 5 6.364 9.876 12.614 1.00 0.67 H new ATOM 0 H5'' DG A 5 7.291 8.467 13.091 1.00 0.67 H new ATOM 0 H4' DG A 5 4.342 8.883 13.031 1.00 0.61 H new ATOM 0 H3' DG A 5 6.116 8.428 15.098 1.00 0.65 H new ATOM 0 H2' DG A 5 6.652 6.121 14.394 1.00 0.56 H new ATOM 0 H2'' DG A 5 5.307 5.840 15.482 1.00 0.56 H new ATOM 0 H1' DG A 5 3.698 5.911 13.669 1.00 0.45 H new ATOM 0 H8 DG A 5 6.877 3.993 13.499 1.00 0.38 H new ATOM 0 H1 DG A 5 1.169 1.523 12.160 1.00 0.14 H new ATOM 0 H21 DG A 5 0.236 4.943 12.490 1.00 0.24 H new ATOM 159 P DC A 6 3.698 7.249 16.692 1.00 0.63 P ATOM 160 OP1 DC A 6 3.267 8.168 17.770 1.00 0.93 O ATOM 161 OP2 DC A 6 4.730 6.227 16.976 1.00 1.81 O ATOM 162 O5' DC A 6 2.397 6.509 16.130 1.00 0.53 O ATOM 163 C5' DC A 6 1.762 7.066 14.998 1.00 0.51 C ATOM 164 C4' DC A 6 0.452 6.414 14.626 1.00 0.44 C ATOM 165 O4' DC A 6 0.904 5.178 14.577 1.00 0.36 O ATOM 166 C3' DC A 6 -0.650 6.502 15.677 1.00 0.44 C ATOM 167 O3' DC A 6 -2.000 6.483 15.095 1.00 0.44 O ATOM 168 C2' DC A 6 -0.610 5.171 16.311 1.00 0.36 C ATOM 169 C1' DC A 6 0.094 4.380 15.270 1.00 0.31 C ATOM 170 N1 DC A 6 0.915 3.436 15.789 1.00 0.30 N ATOM 171 C2 DC A 6 0.630 2.106 15.885 1.00 0.26 C ATOM 172 O2 DC A 6 -0.468 1.669 15.568 1.00 0.20 O ATOM 173 N3 DC A 6 1.636 1.318 16.331 1.00 0.32 N ATOM 174 C4 DC A 6 2.818 1.884 16.641 1.00 0.39 C ATOM 175 N4 DC A 6 3.801 1.096 17.076 1.00 0.46 N ATOM 176 C5 DC A 6 2.986 3.326 16.491 1.00 0.42 C ATOM 177 C6 DC A 6 2.022 3.977 16.083 1.00 0.38 C ATOM 0 H5' DC A 6 2.440 6.998 14.148 1.00 0.51 H new ATOM 0 H5'' DC A 6 1.586 8.126 15.182 1.00 0.51 H new ATOM 0 H4' DC A 6 -0.025 6.852 13.749 1.00 0.44 H new ATOM 0 H3' DC A 6 -0.495 7.397 16.279 1.00 0.44 H new ATOM 0 H2' DC A 6 -0.069 5.181 17.257 1.00 0.36 H new ATOM 0 H2'' DC A 6 -1.607 4.783 16.519 1.00 0.36 H new ATOM 0 H1' DC A 6 -0.692 3.918 14.672 1.00 0.31 H new ATOM 0 H41 DC A 6 4.707 1.497 17.318 1.00 0.46 H new ATOM 0 H42 DC A 6 3.647 0.092 17.167 1.00 0.46 H new ATOM 0 H5 DC A 6 3.923 3.807 16.729 1.00 0.42 H new ATOM 0 H6 DC A 6 2.125 5.046 15.972 1.00 0.38 H new ATOM 189 P DC A 7 -3.363 5.709 15.595 1.00 0.57 P ATOM 190 OP1 DC A 7 -4.303 5.687 14.452 1.00 1.29 O ATOM 191 OP2 DC A 7 -3.788 6.343 16.862 1.00 1.76 O ATOM 192 O5' DC A 7 -2.963 4.172 15.925 1.00 0.79 O ATOM 193 C5' DC A 7 -4.008 3.172 16.050 1.00 1.02 C ATOM 194 C4' DC A 7 -4.345 2.823 17.514 1.00 0.79 C ATOM 195 O4' DC A 7 -3.281 2.030 18.126 1.00 0.67 O ATOM 196 C3' DC A 7 -4.528 4.085 18.354 1.00 0.72 C ATOM 197 O3' DC A 7 -5.928 4.447 18.435 1.00 0.90 O ATOM 198 C2' DC A 7 -4.035 3.572 19.782 1.00 0.49 C ATOM 199 C1' DC A 7 -3.297 2.229 19.558 1.00 0.45 C ATOM 200 N1 DC A 7 -1.934 2.312 20.138 1.00 0.45 N ATOM 201 C2 DC A 7 -1.592 1.405 21.136 1.00 0.49 C ATOM 202 O2 DC A 7 -2.418 0.593 21.547 1.00 0.48 O ATOM 203 N3 DC A 7 -0.337 1.468 21.659 1.00 0.59 N ATOM 204 C4 DC A 7 0.544 2.381 21.228 1.00 0.63 C ATOM 205 N4 DC A 7 1.779 2.382 21.720 1.00 0.75 N ATOM 206 C5 DC A 7 0.188 3.321 20.213 1.00 0.56 C ATOM 207 C6 DC A 7 -1.052 3.246 19.706 1.00 0.49 C ATOM 0 H5' DC A 7 -3.698 2.266 15.530 1.00 1.02 H new ATOM 0 H5'' DC A 7 -4.908 3.533 15.553 1.00 1.02 H new ATOM 0 H4' DC A 7 -5.272 2.251 17.492 1.00 0.79 H new ATOM 0 H3' DC A 7 -4.005 4.958 17.964 1.00 0.72 H new ATOM 0 H2' DC A 7 -3.372 4.303 20.245 1.00 0.49 H new ATOM 0 H2'' DC A 7 -4.881 3.438 20.456 1.00 0.49 H new ATOM 0 H1' DC A 7 -3.784 1.385 20.047 1.00 0.45 H new ATOM 0 H41 DC A 7 2.456 3.073 21.397 1.00 0.75 H new ATOM 0 H42 DC A 7 2.050 1.691 22.420 1.00 0.75 H new ATOM 0 H5 DC A 7 0.891 4.064 19.867 1.00 0.56 H new ATOM 0 H6 DC A 7 -1.353 3.944 18.939 1.00 0.49 H new ATOM 219 P DT A 8 -6.620 4.976 19.815 1.00 0.95 P ATOM 220 OP1 DT A 8 -8.064 5.167 19.552 1.00 1.51 O ATOM 221 OP2 DT A 8 -5.817 6.111 20.323 1.00 1.81 O ATOM 222 O5' DT A 8 -6.462 3.748 20.865 1.00 0.74 O ATOM 223 C5' DT A 8 -7.454 2.717 20.928 1.00 1.03 C ATOM 224 C4' DT A 8 -7.826 2.293 22.363 1.00 0.81 C ATOM 225 O4' DT A 8 -6.729 1.609 23.041 1.00 0.74 O ATOM 226 C3' DT A 8 -8.249 3.477 23.234 1.00 1.26 C ATOM 227 O3' DT A 8 -9.580 3.280 23.725 1.00 1.66 O ATOM 228 C2' DT A 8 -7.261 3.524 24.394 1.00 1.33 C ATOM 229 C1' DT A 8 -6.395 2.260 24.305 1.00 1.03 C ATOM 230 N1 DT A 8 -4.919 2.526 24.358 1.00 0.90 N ATOM 231 C2 DT A 8 -4.134 1.451 24.747 1.00 0.93 C ATOM 232 O2 DT A 8 -4.627 0.390 25.128 1.00 1.10 O ATOM 233 N3 DT A 8 -2.769 1.625 24.693 1.00 0.83 N ATOM 234 C4 DT A 8 -2.098 2.759 24.285 1.00 0.67 C ATOM 235 O4 DT A 8 -0.868 2.782 24.291 1.00 0.62 O ATOM 236 C5 DT A 8 -2.948 3.862 23.884 1.00 0.68 C ATOM 237 C7 DT A 8 -2.206 5.110 23.284 1.00 0.63 C ATOM 238 C6 DT A 8 -4.353 3.723 23.950 1.00 0.80 C ATOM 0 H5' DT A 8 -7.092 1.844 20.384 1.00 1.03 H new ATOM 0 H5'' DT A 8 -8.353 3.060 20.417 1.00 1.03 H new ATOM 0 H4' DT A 8 -8.668 1.611 22.242 1.00 0.81 H new ATOM 0 H3' DT A 8 -8.244 4.409 22.669 1.00 1.26 H new ATOM 0 H2' DT A 8 -6.642 4.419 24.336 1.00 1.33 H new ATOM 0 H2'' DT A 8 -7.788 3.563 25.347 1.00 1.33 H new ATOM 0 HO3' DT A 8 -9.839 4.043 24.283 1.00 1.66 H new ATOM 0 H1' DT A 8 -6.609 1.636 25.173 1.00 1.03 H new ATOM 0 H3 DT A 8 -2.195 0.834 24.985 1.00 0.83 H new ATOM 0 H71 DT A 8 -2.856 5.608 22.565 1.00 0.63 H new ATOM 0 H72 DT A 8 -1.953 5.803 24.086 1.00 0.63 H new ATOM 0 H73 DT A 8 -1.293 4.785 22.784 1.00 0.63 H new ATOM 0 H6 DT A 8 -4.988 4.554 23.681 1.00 0.80 H new TER 252 DT A 8 ATOM 253 O5' DA B 9 0.115 -3.878 28.139 1.00 1.86 O ATOM 254 C5' DA B 9 0.328 -4.982 27.255 1.00 1.46 C ATOM 255 C4' DA B 9 1.030 -4.544 25.975 1.00 1.07 C ATOM 256 O4' DA B 9 0.259 -3.556 25.233 1.00 1.21 O ATOM 257 C3' DA B 9 2.402 -4.025 26.215 1.00 0.75 C ATOM 258 O3' DA B 9 3.314 -5.140 26.359 1.00 0.71 O ATOM 259 C2' DA B 9 2.585 -3.286 24.891 1.00 0.64 C ATOM 260 C1' DA B 9 1.180 -2.639 24.646 1.00 1.04 C ATOM 261 N9 DA B 9 1.067 -1.373 25.292 1.00 1.05 N ATOM 262 C8 DA B 9 1.949 -0.468 25.210 1.00 1.91 C ATOM 263 N7 DA B 9 1.709 0.702 25.705 1.00 1.91 N ATOM 264 C5 DA B 9 0.412 0.499 26.200 1.00 0.83 C ATOM 265 C6 DA B 9 -0.503 1.321 26.863 1.00 0.65 C ATOM 266 N6 DA B 9 -0.260 2.599 27.154 1.00 0.72 N ATOM 267 N1 DA B 9 -1.689 0.778 27.198 1.00 1.50 N ATOM 268 C2 DA B 9 -1.959 -0.497 26.899 1.00 1.94 C ATOM 269 N3 DA B 9 -1.164 -1.361 26.272 1.00 1.39 N ATOM 270 C4 DA B 9 0.012 -0.790 25.949 1.00 0.61 C ATOM 0 H5' DA B 9 -0.629 -5.441 27.008 1.00 1.46 H new ATOM 0 H5'' DA B 9 0.926 -5.742 27.758 1.00 1.46 H new ATOM 0 H4' DA B 9 1.112 -5.449 25.373 1.00 1.07 H new ATOM 0 H3' DA B 9 2.568 -3.417 27.104 1.00 0.75 H new ATOM 0 H2' DA B 9 3.370 -2.532 24.956 1.00 0.64 H new ATOM 0 H2'' DA B 9 2.861 -3.966 24.085 1.00 0.64 H new ATOM 0 HO5' DA B 9 -0.240 -3.118 27.633 1.00 1.86 H new ATOM 0 H1' DA B 9 1.001 -2.464 23.585 1.00 1.04 H new ATOM 0 H8 DA B 9 2.895 -0.672 24.730 1.00 1.91 H new ATOM 0 H61 DA B 9 -0.964 3.154 27.640 1.00 0.72 H new ATOM 0 H62 DA B 9 0.630 3.022 26.891 1.00 0.72 H new ATOM 0 H2 DA B 9 -2.928 -0.866 27.199 1.00 1.94 H new ATOM 283 P DG B 10 4.568 -5.390 25.360 1.00 0.59 P ATOM 284 OP1 DG B 10 5.038 -6.781 25.551 1.00 1.62 O ATOM 285 OP2 DG B 10 5.517 -4.266 25.524 1.00 1.10 O ATOM 286 O5' DG B 10 3.906 -5.276 23.887 1.00 0.65 O ATOM 287 C5' DG B 10 3.441 -6.423 23.148 1.00 0.66 C ATOM 288 C4' DG B 10 2.040 -6.173 22.571 1.00 0.51 C ATOM 289 O4' DG B 10 1.768 -4.764 22.518 1.00 0.48 O ATOM 290 C3' DG B 10 1.868 -6.757 21.198 1.00 0.51 C ATOM 291 O3' DG B 10 0.967 -7.888 21.234 1.00 0.58 O ATOM 292 C2' DG B 10 1.359 -5.611 20.352 1.00 0.45 C ATOM 293 C1' DG B 10 1.079 -4.474 21.310 1.00 0.43 C ATOM 294 N9 DG B 10 1.480 -3.188 20.776 1.00 0.42 N ATOM 295 C8 DG B 10 2.683 -2.669 20.777 1.00 0.49 C ATOM 296 N7 DG B 10 2.843 -1.476 20.313 1.00 0.50 N ATOM 297 C5 DG B 10 1.534 -1.155 19.949 1.00 0.42 C ATOM 298 C6 DG B 10 1.012 0.028 19.373 1.00 0.43 C ATOM 299 O6 DG B 10 1.608 1.065 19.095 1.00 0.47 O ATOM 300 N1 DG B 10 -0.360 -0.071 19.167 1.00 0.44 N ATOM 301 C2 DG B 10 -1.135 -1.172 19.483 1.00 0.44 C ATOM 302 N2 DG B 10 -2.438 -1.077 19.214 1.00 0.52 N ATOM 303 N3 DG B 10 -0.647 -2.288 20.027 1.00 0.40 N ATOM 304 C4 DG B 10 0.685 -2.212 20.231 1.00 0.39 C ATOM 0 H5' DG B 10 3.419 -7.296 23.800 1.00 0.66 H new ATOM 0 H5'' DG B 10 4.137 -6.646 22.339 1.00 0.66 H new ATOM 0 H4' DG B 10 1.335 -6.671 23.237 1.00 0.51 H new ATOM 0 H3' DG B 10 2.793 -7.156 20.782 1.00 0.51 H new ATOM 0 H2' DG B 10 2.098 -5.319 19.606 1.00 0.45 H new ATOM 0 H2'' DG B 10 0.456 -5.896 19.812 1.00 0.45 H new ATOM 0 H1' DG B 10 0.005 -4.397 21.482 1.00 0.43 H new ATOM 0 H8 DG B 10 3.524 -3.229 21.159 1.00 0.49 H new ATOM 0 H1 DG B 10 -0.832 0.732 18.750 1.00 0.44 H new ATOM 0 H21 DG B 10 -3.060 -1.857 19.425 1.00 0.52 H new ATOM 0 H22 DG B 10 -2.812 -0.224 18.797 1.00 0.52 H new ATOM 316 P DG B 11 -0.131 -8.182 20.085 1.00 0.68 P ATOM 317 OP1 DG B 11 -1.064 -9.214 20.590 1.00 1.49 O ATOM 318 OP2 DG B 11 0.585 -8.400 18.807 1.00 1.49 O ATOM 319 O5' DG B 11 -0.925 -6.790 19.979 1.00 0.66 O ATOM 320 C5' DG B 11 -1.954 -6.466 20.908 1.00 0.62 C ATOM 321 C4' DG B 11 -3.246 -6.087 20.195 1.00 0.53 C ATOM 322 O4' DG B 11 -3.110 -4.843 19.457 1.00 0.59 O ATOM 323 C3' DG B 11 -3.636 -7.136 19.188 1.00 0.40 C ATOM 324 O3' DG B 11 -5.080 -7.253 19.219 1.00 0.36 O ATOM 325 C2' DG B 11 -3.081 -6.637 17.847 1.00 0.39 C ATOM 326 C1' DG B 11 -2.881 -5.117 18.040 1.00 0.48 C ATOM 327 N9 DG B 11 -1.510 -4.635 17.670 1.00 0.49 N ATOM 328 C8 DG B 11 -0.256 -5.188 17.819 1.00 0.53 C ATOM 329 N7 DG B 11 0.763 -4.425 17.557 1.00 0.55 N ATOM 330 C5 DG B 11 0.146 -3.224 17.185 1.00 0.53 C ATOM 331 C6 DG B 11 0.716 -1.969 16.780 1.00 0.55 C ATOM 332 O6 DG B 11 1.911 -1.628 16.722 1.00 0.60 O ATOM 333 N1 DG B 11 -0.277 -1.041 16.490 1.00 0.53 N ATOM 334 C2 DG B 11 -1.637 -1.267 16.579 1.00 0.49 C ATOM 335 N2 DG B 11 -2.433 -0.248 16.262 1.00 0.49 N ATOM 336 N3 DG B 11 -2.170 -2.424 16.959 1.00 0.48 N ATOM 337 C4 DG B 11 -1.236 -3.354 17.246 1.00 0.50 C ATOM 0 H5' DG B 11 -1.629 -5.639 21.540 1.00 0.62 H new ATOM 0 H5'' DG B 11 -2.135 -7.317 21.565 1.00 0.62 H new ATOM 0 H4' DG B 11 -3.999 -5.989 20.977 1.00 0.53 H new ATOM 0 H3' DG B 11 -3.238 -8.132 19.382 1.00 0.40 H new ATOM 0 H2' DG B 11 -2.141 -7.131 17.600 1.00 0.39 H new ATOM 0 H2'' DG B 11 -3.774 -6.844 17.031 1.00 0.39 H new ATOM 0 H1' DG B 11 -3.573 -4.594 17.381 1.00 0.48 H new ATOM 0 H8 DG B 11 -0.126 -6.211 18.140 1.00 0.53 H new ATOM 0 H1 DG B 11 0.024 -0.115 16.186 1.00 0.53 H new ATOM 0 H21 DG B 11 -3.446 -0.358 16.310 1.00 0.49 H new ATOM 0 H22 DG B 11 -2.030 0.643 15.972 1.00 0.49 H new ATOM 349 P DC B 12 -6.033 -7.073 17.928 1.00 0.32 P ATOM 350 OP1 DC B 12 -7.358 -7.652 18.246 1.00 1.29 O ATOM 351 OP2 DC B 12 -5.304 -7.516 16.718 1.00 1.33 O ATOM 352 O5' DC B 12 -6.178 -5.467 17.887 1.00 0.39 O ATOM 353 C5' DC B 12 -7.223 -4.809 17.162 1.00 0.42 C ATOM 354 C4' DC B 12 -6.737 -4.369 15.785 1.00 0.36 C ATOM 355 O4' DC B 12 -5.345 -3.925 15.831 1.00 0.35 O ATOM 356 C3' DC B 12 -6.885 -5.410 14.799 1.00 0.31 C ATOM 357 O3' DC B 12 -8.220 -5.452 14.218 1.00 0.34 O ATOM 358 C2' DC B 12 -5.795 -4.873 13.727 1.00 0.26 C ATOM 359 C1' DC B 12 -4.875 -3.837 14.492 1.00 0.29 C ATOM 360 N1 DC B 12 -3.371 -4.054 14.375 1.00 0.28 N ATOM 361 C2 DC B 12 -2.557 -2.913 14.243 1.00 0.31 C ATOM 362 O2 DC B 12 -3.039 -1.779 14.070 1.00 0.33 O ATOM 363 N3 DC B 12 -1.208 -3.092 14.264 1.00 0.35 N ATOM 364 C4 DC B 12 -0.651 -4.294 14.396 1.00 0.35 C ATOM 365 N4 DC B 12 0.673 -4.410 14.439 1.00 0.41 N ATOM 366 C5 DC B 12 -1.447 -5.447 14.512 1.00 0.31 C ATOM 367 C6 DC B 12 -2.785 -5.286 14.491 1.00 0.28 C ATOM 0 H5' DC B 12 -7.570 -3.942 17.724 1.00 0.42 H new ATOM 0 H5'' DC B 12 -8.075 -5.481 17.054 1.00 0.42 H new ATOM 0 H4' DC B 12 -7.367 -3.530 15.488 1.00 0.36 H new ATOM 0 H3' DC B 12 -6.745 -6.425 15.172 1.00 0.31 H new ATOM 0 H2' DC B 12 -5.202 -5.698 13.332 1.00 0.26 H new ATOM 0 H2'' DC B 12 -6.288 -4.399 12.878 1.00 0.26 H new ATOM 0 H1' DC B 12 -4.962 -2.844 14.051 1.00 0.29 H new ATOM 0 H41 DC B 12 1.101 -5.330 14.540 1.00 0.41 H new ATOM 0 H42 DC B 12 1.260 -3.579 14.371 1.00 0.41 H new ATOM 0 H5 DC B 12 -1.003 -6.426 14.614 1.00 0.31 H new ATOM 0 H6 DC B 12 -3.417 -6.159 14.568 1.00 0.28 H new ATOM 379 P DG B 13 -8.498 -5.684 12.629 1.00 0.33 P ATOM 380 OP1 DG B 13 -9.223 -6.968 12.500 1.00 1.34 O ATOM 381 OP2 DG B 13 -7.246 -5.500 11.867 1.00 1.28 O ATOM 382 O5' DG B 13 -9.524 -4.520 12.210 1.00 0.38 O ATOM 383 C5' DG B 13 -9.777 -4.290 10.817 1.00 0.40 C ATOM 384 C4' DG B 13 -8.861 -3.196 10.278 1.00 0.38 C ATOM 385 O4' DG B 13 -7.588 -3.197 11.033 1.00 0.33 O ATOM 386 C3' DG B 13 -8.538 -3.429 8.800 1.00 0.39 C ATOM 387 O3' DG B 13 -8.549 -2.216 8.008 1.00 0.41 O ATOM 388 C2' DG B 13 -7.142 -4.036 8.900 1.00 0.34 C ATOM 389 C1' DG B 13 -6.572 -3.288 10.048 1.00 0.31 C ATOM 390 N9 DG B 13 -5.234 -3.696 10.400 1.00 0.26 N ATOM 391 C8 DG B 13 -4.621 -4.867 10.269 1.00 0.27 C ATOM 392 N7 DG B 13 -3.336 -4.886 10.433 1.00 0.29 N ATOM 393 C5 DG B 13 -3.062 -3.535 10.664 1.00 0.28 C ATOM 394 C6 DG B 13 -1.828 -2.881 10.874 1.00 0.35 C ATOM 395 O6 DG B 13 -0.738 -3.403 11.019 1.00 0.43 O ATOM 396 N1 DG B 13 -1.975 -1.489 11.001 1.00 0.33 N ATOM 397 C2 DG B 13 -3.213 -0.827 10.946 1.00 0.26 C ATOM 398 N2 DG B 13 -3.223 0.530 11.026 1.00 0.27 N ATOM 399 N3 DG B 13 -4.371 -1.471 10.786 1.00 0.24 N ATOM 400 C4 DG B 13 -4.218 -2.807 10.641 1.00 0.24 C ATOM 0 H5' DG B 13 -10.819 -4.003 10.674 1.00 0.40 H new ATOM 0 H5'' DG B 13 -9.620 -5.212 10.256 1.00 0.40 H new ATOM 0 H4' DG B 13 -9.377 -2.242 10.390 1.00 0.38 H new ATOM 0 H3' DG B 13 -9.272 -4.052 8.289 1.00 0.39 H new ATOM 0 H2' DG B 13 -7.174 -5.110 9.086 1.00 0.34 H new ATOM 0 H2'' DG B 13 -6.565 -3.888 7.987 1.00 0.34 H new ATOM 0 H1' DG B 13 -6.324 -2.253 9.812 1.00 0.31 H new ATOM 0 H8 DG B 13 -5.171 -5.766 10.035 1.00 0.27 H new ATOM 0 H1 DG B 13 -1.135 -0.927 11.141 1.00 0.33 H new ATOM 0 H21 DG B 13 -4.108 1.037 10.989 1.00 0.27 H new ATOM 411 P DC B 14 -7.514 -1.957 6.774 1.00 0.41 P ATOM 412 OP1 DC B 14 -8.268 -1.316 5.674 1.00 1.23 O ATOM 413 OP2 DC B 14 -6.751 -3.197 6.507 1.00 1.46 O ATOM 414 O5' DC B 14 -6.508 -0.870 7.379 1.00 0.36 O ATOM 415 C5' DC B 14 -6.941 -0.107 8.487 1.00 0.90 C ATOM 416 C4' DC B 14 -5.983 0.979 8.920 1.00 0.62 C ATOM 417 O4' DC B 14 -4.905 0.227 8.986 1.00 0.38 O ATOM 418 C3' DC B 14 -5.743 2.094 7.912 1.00 0.73 C ATOM 419 O3' DC B 14 -5.393 3.365 8.560 1.00 0.66 O ATOM 420 C2' DC B 14 -4.457 1.728 7.298 1.00 0.68 C ATOM 421 C1' DC B 14 -3.906 0.820 8.334 1.00 0.40 C ATOM 422 N1 DC B 14 -3.193 -0.209 7.820 1.00 0.49 N ATOM 423 C2 DC B 14 -1.839 -0.285 7.791 1.00 0.70 C ATOM 424 O2 DC B 14 -1.148 0.644 8.184 1.00 0.85 O ATOM 425 N3 DC B 14 -1.319 -1.451 7.343 1.00 0.77 N ATOM 426 C4 DC B 14 -2.156 -2.432 6.970 1.00 0.61 C ATOM 427 N4 DC B 14 -1.639 -3.580 6.535 1.00 0.68 N ATOM 428 C5 DC B 14 -3.592 -2.217 7.054 1.00 0.43 C ATOM 429 C6 DC B 14 -3.987 -1.125 7.468 1.00 0.41 C ATOM 0 H5' DC B 14 -7.112 -0.778 9.329 1.00 0.90 H new ATOM 0 H5'' DC B 14 -7.900 0.350 8.244 1.00 0.90 H new ATOM 0 H4' DC B 14 -6.319 1.526 9.801 1.00 0.62 H new ATOM 0 H3' DC B 14 -6.624 2.201 7.279 1.00 0.73 H new ATOM 0 H2' DC B 14 -4.584 1.230 6.337 1.00 0.68 H new ATOM 0 H2'' DC B 14 -3.819 2.595 7.126 1.00 0.68 H new ATOM 0 H1' DC B 14 -3.274 1.451 8.960 1.00 0.40 H new ATOM 0 H41 DC B 14 -2.255 -4.340 6.246 1.00 0.68 H new ATOM 0 H42 DC B 14 -0.627 -3.699 6.491 1.00 0.68 H new ATOM 0 H5 DC B 14 -4.289 -2.989 6.763 1.00 0.43 H new ATOM 0 H6 DC B 14 -5.050 -0.946 7.532 1.00 0.41 H new ATOM 441 P DC B 15 -4.268 4.493 8.154 1.00 0.86 P ATOM 442 OP1 DC B 15 -3.982 5.291 9.367 1.00 1.35 O ATOM 443 OP2 DC B 15 -4.758 5.182 6.940 1.00 1.96 O ATOM 444 O5' DC B 15 -2.909 3.700 7.758 1.00 0.84 O ATOM 445 C5' DC B 15 -1.656 4.423 7.655 1.00 0.90 C ATOM 446 C4' DC B 15 -1.281 4.780 6.202 1.00 0.78 C ATOM 447 O4' DC B 15 -0.800 3.613 5.474 1.00 0.77 O ATOM 448 C3' DC B 15 -2.478 5.345 5.453 1.00 0.70 C ATOM 449 O3' DC B 15 -2.457 6.787 5.554 1.00 0.73 O ATOM 450 C2' DC B 15 -2.160 4.859 3.959 1.00 0.63 C ATOM 451 C1' DC B 15 -1.035 3.795 4.062 1.00 0.67 C ATOM 452 N1 DC B 15 -1.469 2.539 3.410 1.00 0.67 N ATOM 453 C2 DC B 15 -0.710 2.054 2.350 1.00 0.66 C ATOM 454 O2 DC B 15 0.233 2.707 1.907 1.00 0.65 O ATOM 455 N3 DC B 15 -1.077 0.870 1.790 1.00 0.68 N ATOM 456 C4 DC B 15 -2.144 0.197 2.239 1.00 0.71 C ATOM 457 N4 DC B 15 -2.453 -0.976 1.692 1.00 0.73 N ATOM 458 C5 DC B 15 -2.932 0.707 3.316 1.00 0.72 C ATOM 459 C6 DC B 15 -2.556 1.872 3.861 1.00 0.70 C ATOM 0 H5' DC B 15 -0.859 3.821 8.092 1.00 0.90 H new ATOM 0 H5'' DC B 15 -1.723 5.339 8.242 1.00 0.90 H new ATOM 0 H4' DC B 15 -0.489 5.527 6.259 1.00 0.78 H new ATOM 0 H3' DC B 15 -3.457 5.029 5.815 1.00 0.70 H new ATOM 0 H2' DC B 15 -3.050 4.436 3.493 1.00 0.63 H new ATOM 0 H2'' DC B 15 -1.843 5.698 3.339 1.00 0.63 H new ATOM 0 H1' DC B 15 -0.120 4.104 3.557 1.00 0.67 H new ATOM 0 H41 DC B 15 -3.264 -1.497 2.026 1.00 0.73 H new ATOM 0 H42 DC B 15 -1.879 -1.354 0.938 1.00 0.73 H new ATOM 0 H5 DC B 15 -3.799 0.173 3.678 1.00 0.72 H new ATOM 0 H6 DC B 15 -3.132 2.286 4.676 1.00 0.70 H new ATOM 471 P DT B 16 -2.813 7.773 4.323 1.00 0.72 P ATOM 472 OP1 DT B 16 -2.815 9.159 4.843 1.00 0.97 O ATOM 473 OP2 DT B 16 -4.025 7.247 3.656 1.00 1.86 O ATOM 474 O5' DT B 16 -1.581 7.637 3.291 1.00 0.69 O ATOM 475 C5' DT B 16 -1.716 8.238 1.996 1.00 0.86 C ATOM 476 C4' DT B 16 -0.434 8.199 1.163 1.00 0.52 C ATOM 477 O4' DT B 16 0.004 6.829 0.955 1.00 0.59 O ATOM 478 C3' DT B 16 -0.723 8.792 -0.220 1.00 0.98 C ATOM 479 O3' DT B 16 0.332 9.671 -0.625 1.00 1.39 O ATOM 480 C2' DT B 16 -0.827 7.608 -1.153 1.00 1.05 C ATOM 481 C1' DT B 16 -0.153 6.449 -0.443 1.00 0.81 C ATOM 482 N1 DT B 16 -0.919 5.174 -0.567 1.00 0.67 N ATOM 483 C2 DT B 16 -0.179 4.061 -0.938 1.00 0.74 C ATOM 484 O2 DT B 16 0.997 4.149 -1.287 1.00 0.94 O ATOM 485 N3 DT B 16 -0.825 2.847 -0.904 1.00 0.62 N ATOM 486 C4 DT B 16 -2.131 2.621 -0.527 1.00 0.42 C ATOM 487 O4 DT B 16 -2.587 1.479 -0.538 1.00 0.36 O ATOM 488 C5 DT B 16 -2.873 3.806 -0.143 1.00 0.40 C ATOM 489 C7 DT B 16 -4.286 3.547 0.478 1.00 0.39 C ATOM 490 C6 DT B 16 -2.253 5.072 -0.199 1.00 0.53 C ATOM 0 H5' DT B 16 -2.028 9.275 2.117 1.00 0.86 H new ATOM 0 H5'' DT B 16 -2.509 7.728 1.450 1.00 0.86 H new ATOM 0 H4' DT B 16 0.335 8.761 1.694 1.00 0.52 H new ATOM 0 H3' DT B 16 -1.637 9.386 -0.222 1.00 0.98 H new ATOM 0 H2' DT B 16 -1.869 7.376 -1.373 1.00 1.05 H new ATOM 0 H2'' DT B 16 -0.339 7.818 -2.105 1.00 1.05 H new ATOM 0 HO3' DT B 16 0.130 10.038 -1.511 1.00 1.39 H new ATOM 0 H1' DT B 16 0.814 6.255 -0.908 1.00 0.81 H new ATOM 0 H3 DT B 16 -0.282 2.031 -1.187 1.00 0.62 H new ATOM 0 H71 DT B 16 -4.525 4.343 1.183 1.00 0.39 H new ATOM 0 H72 DT B 16 -5.034 3.528 -0.315 1.00 0.39 H new ATOM 0 H73 DT B 16 -4.285 2.589 0.999 1.00 0.39 H new ATOM 0 H6 DT B 16 -2.816 5.961 0.044 1.00 0.53 H new TER 504 DT B 16 HETATM 505 C1 TME A 9 -1.954 1.268 11.157 1.00 0.33 C HETATM 506 C2 TME A 9 -2.098 2.544 11.999 1.00 0.36 C HETATM 507 C3 TME A 9 -0.731 3.054 12.364 1.00 0.31 C HETATM 0 H33 TME A 9 -0.201 2.295 12.939 1.00 0.31 H new HETATM 0 H22 TME A 9 -2.645 3.303 11.440 1.00 0.36 H new HETATM 0 H21 TME A 9 -2.674 2.336 12.901 1.00 0.36 H new HETATM 0 H13 TME A 9 -1.394 1.492 10.249 1.00 0.33 H new HETATM 0 H12 TME A 9 -1.423 0.510 11.733 1.00 0.33 H new CONECT 146 507 CONECT 398 505 CONECT 505 398 506 508 509 CONECT 506 505 507 510 511 CONECT 507 146 506 512 513 CONECT 508 505 CONECT 509 505 CONECT 510 506 CONECT 511 506 CONECT 512 507 CONECT 513 507 END