USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 206 hydrogens (11 hets) HEADER DNA 23-JUL-15 2N5O TITLE UNIVERSAL BASE OLIGONUCLEOTIDE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*(4EN)P*GP*CP*TP*C)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA_(5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 8 ORGANISM_TAXID: 32630 KEYWDS NUCLEIC ACID, DNA, UNIVERSAL BASE, SYNTHETIC BASE EXPDTA SOLUTION NMR AUTHOR A.M.SPRING-CONNELL,M.G.EVICH,F.SEELA,M.W.GERMANN REVDAT 1 07-SEP-16 2N5O 0 JRNL AUTH A.M.SPRING-CONNELL,M.G.EVICH,H.DEBELAK,F.SEELA,M.W.GERMANN JRNL TITL USING NMR AND MOLECULAR DYNAMICS TO LINK STRUCTURE AND JRNL TITL 2 DYNAMICS EFFECTS OF THE UNIVERSAL BASE 8-AZA, 7-DEAZA, N8 JRNL TITL 3 LINKED ADENOSINE ANALOG. JRNL REF NUCLEIC ACIDS RES. 2016 JRNL REFN ESSN 1362-4962 JRNL PMID 27566150 JRNL DOI 10.1093/NAR/GKW736 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 9, CORMA, MARDIGRAS REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLMAN (AMBER), THOMAS JAMES REMARK 3 (CORMA), THOMAS JAMES (MARDIGRAS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2N5O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-JUL-15. REMARK 100 THE RCSB ID CODE IS RCSB104453. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 294 REMARK 210 PH : 6.79 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM DNA (5'-D(*AP*TP*GP*GP*(UB) REMARK 210 P*GP*CP*TP*C)-3'), 1 MM DNA (5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3') REMARK 210 , 100 % 100% DEUTERIUM D2O, 100 MM SODIUM CHLORIDE, 10 MM SODIUM REMARK 210 PHOSPHATE, 100% D2O; 1 MM DNA (5'-D(*AP*TP*GP*GP*(UB)P*GP*CP*TP* REMARK 210 C)-3'), 1 MM DNA (5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3'), 100 MM REMARK 210 SODIUM CHLORIDE, 10 MM SODIUM PHOSPHATE, 10 % 100% DEUTERIUM D2O, REMARK 210 90 % H2O, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY 75 MS; 2D 1H-1H REMARK 210 NOESY 150 MS; 2D 1H-1H NOESY 250 REMARK 210 MS; 2D LOW FLIP COSY; 2D 1H-13C REMARK 210 HSQC; 2D 1H-1H CONSTANT TIME REMARK 210 NOESY; 2D 1H-1H TOCSY; 2D 1H-31P REMARK 210 CORR; 1D 1H; 1D 1H 1-1 JUMP AND REMARK 210 RETURN; 1D 31P; 2D 1H-1H NOESY 1- REMARK 210 1 JUMP AND RETURN REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AMBER 9, SPARKY, XWINNMR, CORMA, REMARK 210 MARDIGRAS REMARK 210 METHOD USED : MOLECULAR DYNAMICS, MATRIX REMARK 210 RELAXATION, DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 - C6 - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 1 N1 - C6 - N6 ANGL. DEV. = -4.0 DEGREES REMARK 500 DT A 2 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 4 O4' - C4' - C3' ANGL. DEV. = 5.0 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES REMARK 500 DT A 8 O4' - C4' - C3' ANGL. DEV. = 4.2 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA B 11 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 11 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DC B 15 N3 - C2 - O2 ANGL. DEV. = -5.4 DEGREES REMARK 500 DC B 16 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DA B 17 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA B 17 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 17 N1 - C6 - N6 ANGL. DEV. = -5.2 DEGREES REMARK 500 DT B 18 O4' - C1' - N1 ANGL. DEV. = 3.9 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 4 0.06 SIDE CHAIN REMARK 500 DC A 7 0.10 SIDE CHAIN REMARK 500 DG B 10 0.09 SIDE CHAIN REMARK 500 DT B 18 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 4EN A 5 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 25723 RELATED DB: BMRB REMARK 900 RELATED ID: 2N5P RELATED DB: PDB DBREF 2N5O A 1 9 PDB 2N5O 2N5O 1 9 DBREF 2N5O B 10 18 PDB 2N5O 2N5O 10 18 SEQRES 1 A 9 DA DT DG DG 4EN DG DC DT DC SEQRES 1 B 9 DG DA DG DC DT DC DC DA DT HET 4EN A 5 32 HETNAM 4EN [(2R,3S,5R)-5-(4-AZANYLPYRAZOLO[3,4-D]PYRIMIDIN-2-YL)- HETNAM 2 4EN 3-OXIDANYL-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE FORMUL 1 4EN C10 H14 N5 O6 P LINK O3' DG A 4 P 4EN A 5 1555 1555 1.59 LINK O3' 4EN A 5 P DG A 6 1555 1555 1.60 SITE *** AC1 3 DG A 4 DG A 6 DT 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 Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.0504 (180deg=-0.465) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DC O3' : rot 180:sc= 0 USER MOD Single : B 10 DG O5' : rot 180:sc= 0 USER MOD Single : B 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 16.860 38.611 20.492 1.00 0.00 O ATOM 2 C5' DA A 1 16.029 38.440 19.345 1.00 0.00 C ATOM 3 C4' DA A 1 16.248 37.109 18.599 1.00 0.00 C ATOM 4 O4' DA A 1 17.554 37.057 18.025 1.00 0.00 O ATOM 5 C3' DA A 1 16.087 35.873 19.486 1.00 0.00 C ATOM 6 O3' DA A 1 15.483 34.835 18.727 1.00 0.00 O ATOM 7 C2' DA A 1 17.531 35.533 19.850 1.00 0.00 C ATOM 8 C1' DA A 1 18.297 35.991 18.607 1.00 0.00 C ATOM 9 N9 DA A 1 19.665 36.471 18.910 1.00 0.00 N ATOM 10 C8 DA A 1 20.034 37.556 19.672 1.00 0.00 C ATOM 11 N7 DA A 1 21.318 37.804 19.671 1.00 0.00 N ATOM 12 C5 DA A 1 21.835 36.768 18.881 1.00 0.00 C ATOM 13 C6 DA A 1 23.130 36.418 18.437 1.00 0.00 C ATOM 14 N6 DA A 1 24.228 37.084 18.737 1.00 0.00 N ATOM 15 N1 DA A 1 23.315 35.386 17.617 1.00 0.00 N ATOM 16 C2 DA A 1 22.258 34.681 17.245 1.00 0.00 C ATOM 17 N3 DA A 1 20.984 34.871 17.586 1.00 0.00 N ATOM 18 C4 DA A 1 20.840 35.954 18.408 1.00 0.00 C ATOM 0 H5' DA A 1 16.208 39.264 18.655 1.00 0.00 H new ATOM 0 H5'' DA A 1 14.985 38.503 19.654 1.00 0.00 H new ATOM 0 H4' DA A 1 15.474 37.087 17.832 1.00 0.00 H new ATOM 0 H3' DA A 1 15.459 36.019 20.365 1.00 0.00 H new ATOM 0 H2' DA A 1 17.859 36.059 20.747 1.00 0.00 H new ATOM 0 H2'' DA A 1 17.663 34.468 20.039 1.00 0.00 H new ATOM 0 HO5' DA A 1 16.666 39.476 20.910 1.00 0.00 H new ATOM 0 H1' DA A 1 18.406 35.138 17.937 1.00 0.00 H new ATOM 0 H8 DA A 1 19.323 38.152 20.224 1.00 0.00 H new ATOM 0 H61 DA A 1 25.129 36.769 18.378 1.00 0.00 H new ATOM 0 H62 DA A 1 24.176 37.914 19.328 1.00 0.00 H new ATOM 0 H2 DA A 1 22.452 33.850 16.584 1.00 0.00 H new ATOM 31 P DT A 2 14.865 33.534 19.407 1.00 0.00 P ATOM 32 OP1 DT A 2 13.640 33.196 18.649 1.00 0.00 O ATOM 33 OP2 DT A 2 14.737 33.792 20.855 1.00 0.00 O ATOM 34 O5' DT A 2 15.941 32.361 19.186 1.00 0.00 O ATOM 35 C5' DT A 2 16.089 31.740 17.905 1.00 0.00 C ATOM 36 C4' DT A 2 17.326 30.832 17.813 1.00 0.00 C ATOM 37 O4' DT A 2 18.502 31.617 18.011 1.00 0.00 O ATOM 38 C3' DT A 2 17.354 29.655 18.810 1.00 0.00 C ATOM 39 O3' DT A 2 17.630 28.442 18.097 1.00 0.00 O ATOM 40 C2' DT A 2 18.545 30.020 19.712 1.00 0.00 C ATOM 41 C1' DT A 2 19.420 30.864 18.784 1.00 0.00 C ATOM 42 N1 DT A 2 20.383 31.771 19.469 1.00 0.00 N ATOM 43 C2 DT A 2 21.735 31.732 19.098 1.00 0.00 C ATOM 44 O2 DT A 2 22.175 31.009 18.206 1.00 0.00 O ATOM 45 N3 DT A 2 22.588 32.587 19.760 1.00 0.00 N ATOM 46 C4 DT A 2 22.219 33.513 20.713 1.00 0.00 C ATOM 47 O4 DT A 2 23.079 34.249 21.200 1.00 0.00 O ATOM 48 C5 DT A 2 20.791 33.526 21.030 1.00 0.00 C ATOM 49 C7 DT A 2 20.248 34.498 22.063 1.00 0.00 C ATOM 50 C6 DT A 2 19.937 32.668 20.409 1.00 0.00 C ATOM 0 H5' DT A 2 16.155 32.513 17.139 1.00 0.00 H new ATOM 0 H5'' DT A 2 15.197 31.152 17.688 1.00 0.00 H new ATOM 0 H4' DT A 2 17.282 30.388 16.819 1.00 0.00 H new ATOM 0 H3' DT A 2 16.423 29.504 19.357 1.00 0.00 H new ATOM 0 H2' DT A 2 18.230 30.580 20.592 1.00 0.00 H new ATOM 0 H2'' DT A 2 19.070 29.134 20.069 1.00 0.00 H new ATOM 0 H1' DT A 2 20.063 30.205 18.200 1.00 0.00 H new ATOM 0 H3 DT A 2 23.579 32.530 19.525 1.00 0.00 H new ATOM 0 H71 DT A 2 21.016 34.704 22.808 1.00 0.00 H new ATOM 0 H72 DT A 2 19.960 35.428 21.572 1.00 0.00 H new ATOM 0 H73 DT A 2 19.377 34.061 22.551 1.00 0.00 H new ATOM 0 H6 DT A 2 18.887 32.693 20.660 1.00 0.00 H new ATOM 63 P DG A 3 17.767 27.005 18.808 1.00 0.00 P ATOM 64 OP1 DG A 3 17.205 25.994 17.884 1.00 0.00 O ATOM 65 OP2 DG A 3 17.231 27.075 20.186 1.00 0.00 O ATOM 66 O5' DG A 3 19.348 26.783 18.924 1.00 0.00 O ATOM 67 C5' DG A 3 20.182 26.701 17.773 1.00 0.00 C ATOM 68 C4' DG A 3 21.661 26.400 18.089 1.00 0.00 C ATOM 69 O4' DG A 3 22.340 27.562 18.572 1.00 0.00 O ATOM 70 C3' DG A 3 21.901 25.261 19.091 1.00 0.00 C ATOM 71 O3' DG A 3 22.885 24.382 18.555 1.00 0.00 O ATOM 72 C2' DG A 3 22.408 26.031 20.308 1.00 0.00 C ATOM 73 C1' DG A 3 23.183 27.169 19.647 1.00 0.00 C ATOM 74 N9 DG A 3 23.440 28.311 20.564 1.00 0.00 N ATOM 75 C8 DG A 3 22.527 28.919 21.390 1.00 0.00 C ATOM 76 N7 DG A 3 22.979 29.939 22.063 1.00 0.00 N ATOM 77 C5 DG A 3 24.332 29.978 21.694 1.00 0.00 C ATOM 78 C6 DG A 3 25.394 30.842 22.127 1.00 0.00 C ATOM 79 O6 DG A 3 25.351 31.802 22.892 1.00 0.00 O ATOM 80 N1 DG A 3 26.622 30.512 21.609 1.00 0.00 N ATOM 81 C2 DG A 3 26.824 29.507 20.729 1.00 0.00 C ATOM 82 N2 DG A 3 28.062 29.332 20.362 1.00 0.00 N ATOM 83 N3 DG A 3 25.868 28.700 20.255 1.00 0.00 N ATOM 84 C4 DG A 3 24.632 28.975 20.791 1.00 0.00 C ATOM 0 H5' DG A 3 20.122 27.642 17.226 1.00 0.00 H new ATOM 0 H5'' DG A 3 19.797 25.924 17.113 1.00 0.00 H new ATOM 0 H4' DG A 3 22.062 26.075 17.129 1.00 0.00 H new ATOM 0 H3' DG A 3 21.039 24.635 19.321 1.00 0.00 H new ATOM 0 H2' DG A 3 21.592 26.398 20.930 1.00 0.00 H new ATOM 0 H2'' DG A 3 23.044 25.417 20.946 1.00 0.00 H new ATOM 0 H1' DG A 3 24.176 26.848 19.333 1.00 0.00 H new ATOM 0 H8 DG A 3 21.507 28.576 21.476 1.00 0.00 H new ATOM 0 H1 DG A 3 27.430 31.058 21.906 1.00 0.00 H new ATOM 0 H21 DG A 3 28.298 28.593 19.700 1.00 0.00 H new ATOM 0 H22 DG A 3 28.795 29.934 20.737 1.00 0.00 H new ATOM 96 P DG A 4 23.310 22.989 19.222 1.00 0.00 P ATOM 97 OP1 DG A 4 23.145 21.933 18.197 1.00 0.00 O ATOM 98 OP2 DG A 4 22.659 22.830 20.542 1.00 0.00 O ATOM 99 O5' DG A 4 24.870 23.216 19.452 1.00 0.00 O ATOM 100 C5' DG A 4 25.749 23.382 18.346 1.00 0.00 C ATOM 101 C4' DG A 4 27.198 23.601 18.792 1.00 0.00 C ATOM 102 O4' DG A 4 27.315 24.820 19.488 1.00 0.00 O ATOM 103 C3' DG A 4 27.750 22.446 19.617 1.00 0.00 C ATOM 104 O3' DG A 4 28.863 21.875 18.939 1.00 0.00 O ATOM 105 C2' DG A 4 28.100 23.082 20.956 1.00 0.00 C ATOM 106 C1' DG A 4 27.930 24.592 20.733 1.00 0.00 C ATOM 107 N9 DG A 4 27.099 25.317 21.727 1.00 0.00 N ATOM 108 C8 DG A 4 25.750 25.212 21.950 1.00 0.00 C ATOM 109 N7 DG A 4 25.256 26.115 22.758 1.00 0.00 N ATOM 110 C5 DG A 4 26.392 26.860 23.132 1.00 0.00 C ATOM 111 C6 DG A 4 26.565 27.976 24.027 1.00 0.00 C ATOM 112 O6 DG A 4 25.722 28.631 24.647 1.00 0.00 O ATOM 113 N1 DG A 4 27.886 28.350 24.184 1.00 0.00 N ATOM 114 C2 DG A 4 28.912 27.811 23.486 1.00 0.00 C ATOM 115 N2 DG A 4 30.092 28.337 23.655 1.00 0.00 N ATOM 116 N3 DG A 4 28.811 26.793 22.637 1.00 0.00 N ATOM 117 C4 DG A 4 27.521 26.355 22.516 1.00 0.00 C ATOM 0 H5' DG A 4 25.422 24.232 17.747 1.00 0.00 H new ATOM 0 H5'' DG A 4 25.696 22.502 17.706 1.00 0.00 H new ATOM 0 H4' DG A 4 27.805 23.645 17.888 1.00 0.00 H new ATOM 0 H3' DG A 4 27.056 21.619 19.766 1.00 0.00 H new ATOM 0 H2' DG A 4 27.442 22.723 21.748 1.00 0.00 H new ATOM 0 H2'' DG A 4 29.120 22.839 21.254 1.00 0.00 H new ATOM 0 H1' DG A 4 28.948 24.974 20.813 1.00 0.00 H new ATOM 0 H8 DG A 4 25.143 24.444 21.494 1.00 0.00 H new ATOM 0 H1 DG A 4 28.100 29.076 24.867 1.00 0.00 H new ATOM 0 H21 DG A 4 30.895 27.962 23.149 1.00 0.00 H new ATOM 0 H22 DG A 4 30.213 29.123 24.293 1.00 0.00 H new HETATM 129 O1P 4EN A 5 30.185 19.942 18.145 1.00 0.00 O HETATM 130 P 4EN A 5 29.488 20.467 19.343 1.00 0.00 P HETATM 131 O2P 4EN A 5 28.421 19.649 19.965 1.00 0.00 O HETATM 132 O5' 4EN A 5 30.555 20.786 20.482 1.00 0.00 O HETATM 133 C5' 4EN A 5 31.741 21.536 20.236 1.00 0.00 C HETATM 134 C4' 4EN A 5 32.463 21.836 21.558 1.00 0.00 C HETATM 135 C3' 4EN A 5 32.686 20.590 22.428 1.00 0.00 C HETATM 136 C2' 4EN A 5 31.724 20.867 23.581 1.00 0.00 C HETATM 137 O3' 4EN A 5 34.077 20.509 22.748 1.00 0.00 O HETATM 138 O4' 4EN A 5 31.722 22.808 22.272 1.00 0.00 O HETATM 139 C1' 4EN A 5 31.604 22.390 23.611 1.00 0.00 C HETATM 140 N8 4EN A 5 30.327 22.861 24.144 1.00 0.00 N HETATM 141 C7 4EN A 5 30.167 23.978 24.903 1.00 0.00 C HETATM 142 N9 4EN A 5 29.135 22.246 23.871 1.00 0.00 N HETATM 143 C4 4EN A 5 28.151 23.028 24.475 1.00 0.00 C HETATM 144 C5 4EN A 5 28.764 24.069 25.062 1.00 0.00 C HETATM 145 C6 4EN A 5 27.987 25.005 25.717 1.00 0.00 C HETATM 146 N6 4EN A 5 28.390 26.075 26.334 1.00 0.00 N HETATM 147 N1 4EN A 5 26.668 24.824 25.715 1.00 0.00 N HETATM 148 C2 4EN A 5 26.172 23.757 25.090 1.00 0.00 C HETATM 149 N3 4EN A 5 26.822 22.804 24.432 1.00 0.00 N ATOM 161 P DG A 6 34.660 19.651 23.965 1.00 0.00 P ATOM 162 OP1 DG A 6 36.109 19.446 23.748 1.00 0.00 O ATOM 163 OP2 DG A 6 33.795 18.470 24.185 1.00 0.00 O ATOM 164 O5' DG A 6 34.471 20.684 25.161 1.00 0.00 O ATOM 165 C5' DG A 6 35.062 21.982 25.095 1.00 0.00 C ATOM 166 C4' DG A 6 34.748 22.840 26.326 1.00 0.00 C ATOM 167 O4' DG A 6 33.384 23.270 26.354 1.00 0.00 O ATOM 168 C3' DG A 6 35.054 22.105 27.628 1.00 0.00 C ATOM 169 O3' DG A 6 35.868 22.902 28.483 1.00 0.00 O ATOM 170 C2' DG A 6 33.660 21.879 28.175 1.00 0.00 C ATOM 171 C1' DG A 6 32.894 23.099 27.670 1.00 0.00 C ATOM 172 N9 DG A 6 31.428 22.909 27.726 1.00 0.00 N ATOM 173 C8 DG A 6 30.699 21.820 27.308 1.00 0.00 C ATOM 174 N7 DG A 6 29.420 21.914 27.537 1.00 0.00 N ATOM 175 C5 DG A 6 29.281 23.144 28.183 1.00 0.00 C ATOM 176 C6 DG A 6 28.117 23.788 28.729 1.00 0.00 C ATOM 177 O6 DG A 6 26.937 23.434 28.690 1.00 0.00 O ATOM 178 N1 DG A 6 28.405 24.954 29.399 1.00 0.00 N ATOM 179 C2 DG A 6 29.645 25.488 29.485 1.00 0.00 C ATOM 180 N2 DG A 6 29.752 26.568 30.211 1.00 0.00 N ATOM 181 N3 DG A 6 30.753 24.952 28.960 1.00 0.00 N ATOM 182 C4 DG A 6 30.508 23.759 28.322 1.00 0.00 C ATOM 0 H5' DG A 6 34.706 22.493 24.201 1.00 0.00 H new ATOM 0 H5'' DG A 6 36.143 21.880 24.995 1.00 0.00 H new ATOM 0 H4' DG A 6 35.395 23.714 26.244 1.00 0.00 H new ATOM 0 H3' DG A 6 35.623 21.182 27.516 1.00 0.00 H new ATOM 0 H2' DG A 6 33.227 20.949 27.806 1.00 0.00 H new ATOM 0 H2'' DG A 6 33.657 21.822 29.264 1.00 0.00 H new ATOM 0 H1' DG A 6 33.051 23.984 28.286 1.00 0.00 H new ATOM 0 H8 DG A 6 31.148 20.961 26.831 1.00 0.00 H new ATOM 0 H1 DG A 6 27.638 25.445 29.858 1.00 0.00 H new ATOM 0 H21 DG A 6 30.659 27.023 30.318 1.00 0.00 H new ATOM 0 H22 DG A 6 28.929 26.957 30.671 1.00 0.00 H new ATOM 194 P DC A 7 36.431 22.380 29.892 1.00 0.00 P ATOM 195 OP1 DC A 7 37.848 22.803 29.964 1.00 0.00 O ATOM 196 OP2 DC A 7 36.089 20.950 30.087 1.00 0.00 O ATOM 197 O5' DC A 7 35.594 23.230 30.936 1.00 0.00 O ATOM 198 C5' DC A 7 35.876 24.608 31.134 1.00 0.00 C ATOM 199 C4' DC A 7 34.803 25.285 31.980 1.00 0.00 C ATOM 200 O4' DC A 7 33.540 25.118 31.359 1.00 0.00 O ATOM 201 C3' DC A 7 34.731 24.769 33.419 1.00 0.00 C ATOM 202 O3' DC A 7 35.436 25.643 34.293 1.00 0.00 O ATOM 203 C2' DC A 7 33.224 24.756 33.651 1.00 0.00 C ATOM 204 C1' DC A 7 32.535 25.101 32.350 1.00 0.00 C ATOM 205 N1 DC A 7 31.557 24.018 32.055 1.00 0.00 N ATOM 206 C2 DC A 7 30.230 24.149 32.458 1.00 0.00 C ATOM 207 O2 DC A 7 29.862 25.079 33.178 1.00 0.00 O ATOM 208 N3 DC A 7 29.313 23.228 32.079 1.00 0.00 N ATOM 209 C4 DC A 7 29.719 22.184 31.384 1.00 0.00 C ATOM 210 N4 DC A 7 28.796 21.388 30.942 1.00 0.00 N ATOM 211 C5 DC A 7 31.077 21.922 31.082 1.00 0.00 C ATOM 212 C6 DC A 7 31.984 22.853 31.482 1.00 0.00 C ATOM 0 H5' DC A 7 35.947 25.108 30.168 1.00 0.00 H new ATOM 0 H5'' DC A 7 36.845 24.715 31.621 1.00 0.00 H new ATOM 0 H4' DC A 7 35.078 26.338 32.042 1.00 0.00 H new ATOM 0 H3' DC A 7 35.191 23.797 33.598 1.00 0.00 H new ATOM 0 H2' DC A 7 32.903 23.775 34.001 1.00 0.00 H new ATOM 0 H2'' DC A 7 32.954 25.474 34.425 1.00 0.00 H new ATOM 0 H1' DC A 7 32.016 26.059 32.390 1.00 0.00 H new ATOM 0 H41 DC A 7 29.051 20.564 30.398 1.00 0.00 H new ATOM 0 H42 DC A 7 27.815 21.586 31.138 1.00 0.00 H new ATOM 0 H5 DC A 7 31.378 21.026 30.559 1.00 0.00 H new ATOM 0 H6 DC A 7 33.040 22.672 31.347 1.00 0.00 H new ATOM 224 P DT A 8 35.807 25.254 35.799 1.00 0.00 P ATOM 225 OP1 DT A 8 36.594 26.380 36.339 1.00 0.00 O ATOM 226 OP2 DT A 8 36.415 23.905 35.831 1.00 0.00 O ATOM 227 O5' DT A 8 34.429 25.188 36.585 1.00 0.00 O ATOM 228 C5' DT A 8 33.736 26.358 37.001 1.00 0.00 C ATOM 229 C4' DT A 8 32.502 25.950 37.811 1.00 0.00 C ATOM 230 O4' DT A 8 31.584 25.281 36.964 1.00 0.00 O ATOM 231 C3' DT A 8 32.902 25.041 38.981 1.00 0.00 C ATOM 232 O3' DT A 8 32.459 25.616 40.193 1.00 0.00 O ATOM 233 C2' DT A 8 32.210 23.726 38.657 1.00 0.00 C ATOM 234 C1' DT A 8 31.150 24.116 37.625 1.00 0.00 C ATOM 235 N1 DT A 8 30.887 23.063 36.601 1.00 0.00 N ATOM 236 C2 DT A 8 29.551 22.770 36.293 1.00 0.00 C ATOM 237 O2 DT A 8 28.590 23.343 36.814 1.00 0.00 O ATOM 238 N3 DT A 8 29.333 21.774 35.368 1.00 0.00 N ATOM 239 C4 DT A 8 30.314 21.032 34.737 1.00 0.00 C ATOM 240 O4 DT A 8 29.978 20.165 33.935 1.00 0.00 O ATOM 241 C5 DT A 8 31.687 21.382 35.099 1.00 0.00 C ATOM 242 C7 DT A 8 32.871 20.618 34.511 1.00 0.00 C ATOM 243 C6 DT A 8 31.925 22.382 35.987 1.00 0.00 C ATOM 0 H5' DT A 8 33.438 26.947 36.133 1.00 0.00 H new ATOM 0 H5'' DT A 8 34.390 26.988 37.604 1.00 0.00 H new ATOM 0 H4' DT A 8 32.033 26.845 38.220 1.00 0.00 H new ATOM 0 H3' DT A 8 33.976 24.900 39.104 1.00 0.00 H new ATOM 0 H2' DT A 8 32.910 22.994 38.254 1.00 0.00 H new ATOM 0 H2'' DT A 8 31.760 23.282 39.545 1.00 0.00 H new ATOM 0 H1' DT A 8 30.218 24.267 38.169 1.00 0.00 H new ATOM 0 H3 DT A 8 28.364 21.565 35.127 1.00 0.00 H new ATOM 0 H71 DT A 8 33.733 21.281 34.440 1.00 0.00 H new ATOM 0 H72 DT A 8 33.115 19.773 35.155 1.00 0.00 H new ATOM 0 H73 DT A 8 32.611 20.253 33.517 1.00 0.00 H new ATOM 0 H6 DT A 8 32.945 22.652 36.219 1.00 0.00 H new ATOM 256 P DC A 9 32.858 25.031 41.617 1.00 0.00 P ATOM 257 OP1 DC A 9 32.910 26.190 42.535 1.00 0.00 O ATOM 258 OP2 DC A 9 34.029 24.131 41.471 1.00 0.00 O ATOM 259 O5' DC A 9 31.610 24.122 41.982 1.00 0.00 O ATOM 260 C5' DC A 9 30.275 24.613 41.943 1.00 0.00 C ATOM 261 C4' DC A 9 29.279 23.447 41.905 1.00 0.00 C ATOM 262 O4' DC A 9 29.220 22.875 40.606 1.00 0.00 O ATOM 263 C3' DC A 9 29.636 22.267 42.818 1.00 0.00 C ATOM 264 O3' DC A 9 29.249 22.471 44.169 1.00 0.00 O ATOM 265 C2' DC A 9 28.856 21.128 42.170 1.00 0.00 C ATOM 266 C1' DC A 9 28.641 21.584 40.720 1.00 0.00 C ATOM 267 N1 DC A 9 29.244 20.675 39.702 1.00 0.00 N ATOM 268 C2 DC A 9 28.414 20.004 38.794 1.00 0.00 C ATOM 269 O2 DC A 9 27.187 20.092 38.851 1.00 0.00 O ATOM 270 N3 DC A 9 28.935 19.250 37.801 1.00 0.00 N ATOM 271 C4 DC A 9 30.240 19.098 37.752 1.00 0.00 C ATOM 272 N4 DC A 9 30.670 18.376 36.760 1.00 0.00 N ATOM 273 C5 DC A 9 31.138 19.715 38.666 1.00 0.00 C ATOM 274 C6 DC A 9 30.603 20.508 39.629 1.00 0.00 C ATOM 0 H5' DC A 9 30.139 25.245 41.066 1.00 0.00 H new ATOM 0 H5'' DC A 9 30.084 25.235 42.817 1.00 0.00 H new ATOM 0 H4' DC A 9 28.345 23.904 42.232 1.00 0.00 H new ATOM 0 H3' DC A 9 30.709 22.092 42.891 1.00 0.00 H new ATOM 0 H2' DC A 9 29.412 20.192 42.213 1.00 0.00 H new ATOM 0 H2'' DC A 9 27.906 20.958 42.677 1.00 0.00 H new ATOM 0 HO3' DC A 9 29.499 21.688 44.703 1.00 0.00 H new ATOM 0 H1' DC A 9 27.570 21.580 40.515 1.00 0.00 H new ATOM 0 H41 DC A 9 31.670 18.208 36.647 1.00 0.00 H new ATOM 0 H42 DC A 9 30.008 17.978 36.094 1.00 0.00 H new ATOM 0 H5 DC A 9 32.204 19.559 38.597 1.00 0.00 H new ATOM 0 H6 DC A 9 31.247 21.007 40.337 1.00 0.00 H new TER 287 DC A 9 ATOM 288 O5' DG B 10 23.039 11.701 32.395 1.00 0.00 O ATOM 289 C5' DG B 10 22.218 11.599 33.553 1.00 0.00 C ATOM 290 C4' DG B 10 21.968 12.953 34.236 1.00 0.00 C ATOM 291 O4' DG B 10 23.210 13.573 34.555 1.00 0.00 O ATOM 292 C3' DG B 10 21.165 13.927 33.364 1.00 0.00 C ATOM 293 O3' DG B 10 20.129 14.498 34.156 1.00 0.00 O ATOM 294 C2' DG B 10 22.225 14.946 32.961 1.00 0.00 C ATOM 295 C1' DG B 10 23.156 14.941 34.178 1.00 0.00 C ATOM 296 N9 DG B 10 24.550 15.421 33.978 1.00 0.00 N ATOM 297 C8 DG B 10 25.513 14.928 33.125 1.00 0.00 C ATOM 298 N7 DG B 10 26.729 15.347 33.374 1.00 0.00 N ATOM 299 C5 DG B 10 26.551 16.231 34.452 1.00 0.00 C ATOM 300 C6 DG B 10 27.496 16.989 35.232 1.00 0.00 C ATOM 301 O6 DG B 10 28.726 17.030 35.156 1.00 0.00 O ATOM 302 N1 DG B 10 26.918 17.751 36.221 1.00 0.00 N ATOM 303 C2 DG B 10 25.594 17.744 36.492 1.00 0.00 C ATOM 304 N2 DG B 10 25.208 18.502 37.480 1.00 0.00 N ATOM 305 N3 DG B 10 24.681 17.038 35.829 1.00 0.00 N ATOM 306 C4 DG B 10 25.219 16.299 34.808 1.00 0.00 C ATOM 0 H5' DG B 10 22.688 10.921 34.265 1.00 0.00 H new ATOM 0 H5'' DG B 10 21.261 11.157 33.275 1.00 0.00 H new ATOM 0 H4' DG B 10 21.387 12.738 35.133 1.00 0.00 H new ATOM 0 H3' DG B 10 20.670 13.489 32.497 1.00 0.00 H new ATOM 0 H2' DG B 10 22.745 14.654 32.049 1.00 0.00 H new ATOM 0 H2'' DG B 10 21.795 15.931 32.781 1.00 0.00 H new ATOM 0 HO5' DG B 10 23.165 10.811 32.004 1.00 0.00 H new ATOM 0 H1' DG B 10 22.752 15.642 34.908 1.00 0.00 H new ATOM 0 H8 DG B 10 25.284 14.250 32.316 1.00 0.00 H new ATOM 0 H1 DG B 10 27.522 18.354 36.780 1.00 0.00 H new ATOM 0 H21 DG B 10 24.222 18.542 37.737 1.00 0.00 H new ATOM 0 H22 DG B 10 25.892 19.055 37.996 1.00 0.00 H new ATOM 319 P DA B 11 18.971 15.430 33.571 1.00 0.00 P ATOM 320 OP1 DA B 11 17.742 15.049 34.304 1.00 0.00 O ATOM 321 OP2 DA B 11 18.940 15.317 32.096 1.00 0.00 O ATOM 322 O5' DA B 11 19.372 16.934 33.945 1.00 0.00 O ATOM 323 C5' DA B 11 19.309 17.392 35.290 1.00 0.00 C ATOM 324 C4' DA B 11 19.650 18.882 35.498 1.00 0.00 C ATOM 325 O4' DA B 11 21.065 19.047 35.528 1.00 0.00 O ATOM 326 C3' DA B 11 19.070 19.827 34.437 1.00 0.00 C ATOM 327 O3' DA B 11 18.507 21.022 34.987 1.00 0.00 O ATOM 328 C2' DA B 11 20.300 20.122 33.593 1.00 0.00 C ATOM 329 C1' DA B 11 21.411 20.094 34.641 1.00 0.00 C ATOM 330 N9 DA B 11 22.746 19.856 34.060 1.00 0.00 N ATOM 331 C8 DA B 11 23.066 18.965 33.077 1.00 0.00 C ATOM 332 N7 DA B 11 24.326 18.919 32.752 1.00 0.00 N ATOM 333 C5 DA B 11 24.892 19.851 33.626 1.00 0.00 C ATOM 334 C6 DA B 11 26.216 20.253 33.884 1.00 0.00 C ATOM 335 N6 DA B 11 27.260 19.748 33.255 1.00 0.00 N ATOM 336 N1 DA B 11 26.491 21.176 34.808 1.00 0.00 N ATOM 337 C2 DA B 11 25.462 21.690 35.477 1.00 0.00 C ATOM 338 N3 DA B 11 24.167 21.402 35.368 1.00 0.00 N ATOM 339 C4 DA B 11 23.946 20.445 34.418 1.00 0.00 C ATOM 0 H5' DA B 11 19.992 16.793 35.892 1.00 0.00 H new ATOM 0 H5'' DA B 11 18.304 17.210 35.671 1.00 0.00 H new ATOM 0 H4' DA B 11 19.186 19.158 36.445 1.00 0.00 H new ATOM 0 H3' DA B 11 18.235 19.392 33.889 1.00 0.00 H new ATOM 0 H2' DA B 11 20.452 19.373 32.816 1.00 0.00 H new ATOM 0 H2'' DA B 11 20.232 21.089 33.095 1.00 0.00 H new ATOM 0 H1' DA B 11 21.484 21.062 35.138 1.00 0.00 H new ATOM 0 H8 DA B 11 22.324 18.340 32.601 1.00 0.00 H new ATOM 0 H61 DA B 11 28.199 20.076 33.481 1.00 0.00 H new ATOM 0 H62 DA B 11 27.128 19.030 32.543 1.00 0.00 H new ATOM 0 H2 DA B 11 25.712 22.444 36.209 1.00 0.00 H new ATOM 351 P DG B 12 17.758 22.122 34.070 1.00 0.00 P ATOM 352 OP1 DG B 12 16.452 22.428 34.692 1.00 0.00 O ATOM 353 OP2 DG B 12 17.760 21.681 32.658 1.00 0.00 O ATOM 354 O5' DG B 12 18.663 23.431 34.179 1.00 0.00 O ATOM 355 C5' DG B 12 18.739 24.143 35.413 1.00 0.00 C ATOM 356 C4' DG B 12 19.987 25.015 35.550 1.00 0.00 C ATOM 357 O4' DG B 12 21.117 24.242 35.187 1.00 0.00 O ATOM 358 C3' DG B 12 19.974 26.315 34.724 1.00 0.00 C ATOM 359 O3' DG B 12 20.238 27.417 35.593 1.00 0.00 O ATOM 360 C2' DG B 12 21.056 26.041 33.702 1.00 0.00 C ATOM 361 C1' DG B 12 21.968 25.054 34.414 1.00 0.00 C ATOM 362 N9 DG B 12 22.693 24.198 33.457 1.00 0.00 N ATOM 363 C8 DG B 12 22.178 23.355 32.505 1.00 0.00 C ATOM 364 N7 DG B 12 23.074 22.708 31.808 1.00 0.00 N ATOM 365 C5 DG B 12 24.280 23.205 32.320 1.00 0.00 C ATOM 366 C6 DG B 12 25.641 22.934 31.963 1.00 0.00 C ATOM 367 O6 DG B 12 26.080 22.131 31.142 1.00 0.00 O ATOM 368 N1 DG B 12 26.555 23.697 32.654 1.00 0.00 N ATOM 369 C2 DG B 12 26.224 24.584 33.617 1.00 0.00 C ATOM 370 N2 DG B 12 27.196 25.260 34.160 1.00 0.00 N ATOM 371 N3 DG B 12 24.985 24.840 34.023 1.00 0.00 N ATOM 372 C4 DG B 12 24.053 24.126 33.320 1.00 0.00 C ATOM 0 H5' DG B 12 18.715 23.428 36.236 1.00 0.00 H new ATOM 0 H5'' DG B 12 17.855 24.773 35.513 1.00 0.00 H new ATOM 0 H4' DG B 12 20.019 25.336 36.591 1.00 0.00 H new ATOM 0 H3' DG B 12 19.034 26.577 34.238 1.00 0.00 H new ATOM 0 H2' DG B 12 20.645 25.619 32.785 1.00 0.00 H new ATOM 0 H2'' DG B 12 21.587 26.951 33.425 1.00 0.00 H new ATOM 0 H1' DG B 12 22.712 25.585 35.007 1.00 0.00 H new ATOM 0 H8 DG B 12 21.117 23.236 32.344 1.00 0.00 H new ATOM 0 H1 DG B 12 27.543 23.586 32.425 1.00 0.00 H new ATOM 0 H21 DG B 12 26.996 25.942 34.892 1.00 0.00 H new ATOM 0 H22 DG B 12 28.157 25.107 33.853 1.00 0.00 H new ATOM 384 P DC B 13 20.321 28.941 35.105 1.00 0.00 P ATOM 385 OP1 DC B 13 20.051 29.813 36.270 1.00 0.00 O ATOM 386 OP2 DC B 13 19.519 29.131 33.872 1.00 0.00 O ATOM 387 O5' DC B 13 21.854 29.144 34.723 1.00 0.00 O ATOM 388 C5' DC B 13 22.862 29.081 35.728 1.00 0.00 C ATOM 389 C4' DC B 13 24.265 29.419 35.214 1.00 0.00 C ATOM 390 O4' DC B 13 24.781 28.334 34.462 1.00 0.00 O ATOM 391 C3' DC B 13 24.328 30.705 34.370 1.00 0.00 C ATOM 392 O3' DC B 13 25.170 31.687 34.972 1.00 0.00 O ATOM 393 C2' DC B 13 24.884 30.202 33.032 1.00 0.00 C ATOM 394 C1' DC B 13 25.464 28.815 33.322 1.00 0.00 C ATOM 395 N1 DC B 13 25.217 27.854 32.212 1.00 0.00 N ATOM 396 C2 DC B 13 26.290 27.275 31.522 1.00 0.00 C ATOM 397 O2 DC B 13 27.458 27.634 31.704 1.00 0.00 O ATOM 398 N3 DC B 13 26.064 26.305 30.598 1.00 0.00 N ATOM 399 C4 DC B 13 24.814 25.975 30.323 1.00 0.00 C ATOM 400 N4 DC B 13 24.652 25.033 29.443 1.00 0.00 N ATOM 401 C5 DC B 13 23.684 26.577 30.940 1.00 0.00 C ATOM 402 C6 DC B 13 23.926 27.515 31.885 1.00 0.00 C ATOM 0 H5' DC B 13 22.873 28.079 36.157 1.00 0.00 H new ATOM 0 H5'' DC B 13 22.604 29.769 36.533 1.00 0.00 H new ATOM 0 H4' DC B 13 24.874 29.599 36.100 1.00 0.00 H new ATOM 0 H3' DC B 13 23.366 31.206 34.267 1.00 0.00 H new ATOM 0 H2' DC B 13 24.100 30.149 32.277 1.00 0.00 H new ATOM 0 H2'' DC B 13 25.651 30.875 32.648 1.00 0.00 H new ATOM 0 H1' DC B 13 26.542 28.899 33.457 1.00 0.00 H new ATOM 0 H41 DC B 13 23.712 24.731 29.186 1.00 0.00 H new ATOM 0 H42 DC B 13 25.465 24.595 29.009 1.00 0.00 H new ATOM 0 H5 DC B 13 22.677 26.298 30.667 1.00 0.00 H new ATOM 0 H6 DC B 13 23.100 28.000 32.385 1.00 0.00 H new ATOM 414 P DT B 14 25.266 33.194 34.406 1.00 0.00 P ATOM 415 OP1 DT B 14 25.685 34.045 35.540 1.00 0.00 O ATOM 416 OP2 DT B 14 24.013 33.516 33.699 1.00 0.00 O ATOM 417 O5' DT B 14 26.438 33.169 33.332 1.00 0.00 O ATOM 418 C5' DT B 14 27.796 33.068 33.727 1.00 0.00 C ATOM 419 C4' DT B 14 28.751 32.934 32.536 1.00 0.00 C ATOM 420 O4' DT B 14 28.574 31.669 31.910 1.00 0.00 O ATOM 421 C3' DT B 14 28.596 34.017 31.435 1.00 0.00 C ATOM 422 O3' DT B 14 29.823 34.709 31.237 1.00 0.00 O ATOM 423 C2' DT B 14 28.144 33.210 30.212 1.00 0.00 C ATOM 424 C1' DT B 14 28.755 31.843 30.518 1.00 0.00 C ATOM 425 N1 DT B 14 28.113 30.715 29.795 1.00 0.00 N ATOM 426 C2 DT B 14 28.943 29.772 29.178 1.00 0.00 C ATOM 427 O2 DT B 14 30.169 29.766 29.289 1.00 0.00 O ATOM 428 N3 DT B 14 28.330 28.804 28.422 1.00 0.00 N ATOM 429 C4 DT B 14 26.975 28.699 28.205 1.00 0.00 C ATOM 430 O4 DT B 14 26.548 27.798 27.491 1.00 0.00 O ATOM 431 C5 DT B 14 26.164 29.706 28.875 1.00 0.00 C ATOM 432 C7 DT B 14 24.673 29.733 28.610 1.00 0.00 C ATOM 433 C6 DT B 14 26.742 30.650 29.665 1.00 0.00 C ATOM 0 H5' DT B 14 27.916 32.205 34.382 1.00 0.00 H new ATOM 0 H5'' DT B 14 28.068 33.950 34.308 1.00 0.00 H new ATOM 0 H4' DT B 14 29.743 33.056 32.972 1.00 0.00 H new ATOM 0 H3' DT B 14 27.883 34.805 31.678 1.00 0.00 H new ATOM 0 H2' DT B 14 27.058 33.166 30.126 1.00 0.00 H new ATOM 0 H2'' DT B 14 28.521 33.630 29.279 1.00 0.00 H new ATOM 0 H1' DT B 14 29.796 31.830 30.196 1.00 0.00 H new ATOM 0 H3 DT B 14 28.929 28.104 27.984 1.00 0.00 H new ATOM 0 H71 DT B 14 24.154 30.110 29.491 1.00 0.00 H new ATOM 0 H72 DT B 14 24.466 30.384 27.761 1.00 0.00 H new ATOM 0 H73 DT B 14 24.325 28.724 28.387 1.00 0.00 H new ATOM 0 H6 DT B 14 26.121 31.356 30.196 1.00 0.00 H new ATOM 446 P DC B 15 30.059 35.769 30.060 1.00 0.00 P ATOM 447 OP1 DC B 15 31.018 36.776 30.562 1.00 0.00 O ATOM 448 OP2 DC B 15 28.748 36.228 29.545 1.00 0.00 O ATOM 449 O5' DC B 15 30.807 34.926 28.917 1.00 0.00 O ATOM 450 C5' DC B 15 32.062 34.308 29.198 1.00 0.00 C ATOM 451 C4' DC B 15 32.815 33.695 28.002 1.00 0.00 C ATOM 452 O4' DC B 15 32.144 32.560 27.460 1.00 0.00 O ATOM 453 C3' DC B 15 33.093 34.654 26.842 1.00 0.00 C ATOM 454 O3' DC B 15 34.390 34.339 26.345 1.00 0.00 O ATOM 455 C2' DC B 15 31.976 34.330 25.856 1.00 0.00 C ATOM 456 C1' DC B 15 31.594 32.879 26.189 1.00 0.00 C ATOM 457 N1 DC B 15 30.144 32.498 26.186 1.00 0.00 N ATOM 458 C2 DC B 15 29.835 31.171 25.857 1.00 0.00 C ATOM 459 O2 DC B 15 30.703 30.346 25.580 1.00 0.00 O ATOM 460 N3 DC B 15 28.550 30.736 25.809 1.00 0.00 N ATOM 461 C4 DC B 15 27.597 31.605 26.074 1.00 0.00 C ATOM 462 N4 DC B 15 26.378 31.156 25.975 1.00 0.00 N ATOM 463 C5 DC B 15 27.836 32.950 26.438 1.00 0.00 C ATOM 464 C6 DC B 15 29.123 33.378 26.485 1.00 0.00 C ATOM 0 H5' DC B 15 31.897 33.522 29.935 1.00 0.00 H new ATOM 0 H5'' DC B 15 32.710 35.050 29.664 1.00 0.00 H new ATOM 0 H4' DC B 15 33.770 33.415 28.446 1.00 0.00 H new ATOM 0 H3' DC B 15 33.097 35.718 27.080 1.00 0.00 H new ATOM 0 H2' DC B 15 31.128 35.004 25.978 1.00 0.00 H new ATOM 0 H2'' DC B 15 32.314 34.427 24.824 1.00 0.00 H new ATOM 0 H1' DC B 15 32.002 32.306 25.357 1.00 0.00 H new ATOM 0 H41 DC B 15 25.590 31.774 26.166 1.00 0.00 H new ATOM 0 H42 DC B 15 26.212 30.186 25.706 1.00 0.00 H new ATOM 0 H5 DC B 15 27.019 33.617 26.672 1.00 0.00 H new ATOM 0 H6 DC B 15 29.347 34.400 26.754 1.00 0.00 H new ATOM 476 P DC B 16 35.120 35.121 25.159 1.00 0.00 P ATOM 477 OP1 DC B 16 36.577 35.026 25.406 1.00 0.00 O ATOM 478 OP2 DC B 16 34.505 36.460 25.009 1.00 0.00 O ATOM 479 O5' DC B 16 34.763 34.260 23.849 1.00 0.00 O ATOM 480 C5' DC B 16 35.156 32.891 23.764 1.00 0.00 C ATOM 481 C4' DC B 16 34.551 32.085 22.598 1.00 0.00 C ATOM 482 O4' DC B 16 33.158 31.882 22.782 1.00 0.00 O ATOM 483 C3' DC B 16 34.791 32.720 21.222 1.00 0.00 C ATOM 484 O3' DC B 16 35.045 31.691 20.269 1.00 0.00 O ATOM 485 C2' DC B 16 33.445 33.426 21.007 1.00 0.00 C ATOM 486 C1' DC B 16 32.486 32.408 21.656 1.00 0.00 C ATOM 487 N1 DC B 16 31.115 32.863 22.076 1.00 0.00 N ATOM 488 C2 DC B 16 30.072 31.929 22.008 1.00 0.00 C ATOM 489 O2 DC B 16 30.248 30.796 21.546 1.00 0.00 O ATOM 490 N3 DC B 16 28.829 32.245 22.437 1.00 0.00 N ATOM 491 C4 DC B 16 28.604 33.465 22.883 1.00 0.00 C ATOM 492 N4 DC B 16 27.399 33.713 23.293 1.00 0.00 N ATOM 493 C5 DC B 16 29.596 34.482 22.923 1.00 0.00 C ATOM 494 C6 DC B 16 30.846 34.142 22.513 1.00 0.00 C ATOM 0 H5' DC B 16 34.887 32.398 24.698 1.00 0.00 H new ATOM 0 H5'' DC B 16 36.242 32.850 23.683 1.00 0.00 H new ATOM 0 H4' DC B 16 35.072 31.128 22.611 1.00 0.00 H new ATOM 0 H3' DC B 16 35.643 33.394 21.134 1.00 0.00 H new ATOM 0 H2' DC B 16 33.406 34.401 21.493 1.00 0.00 H new ATOM 0 H2'' DC B 16 33.226 33.587 19.952 1.00 0.00 H new ATOM 0 H1' DC B 16 32.261 31.694 20.864 1.00 0.00 H new ATOM 0 H41 DC B 16 27.162 34.639 23.650 1.00 0.00 H new ATOM 0 H42 DC B 16 26.688 32.982 23.259 1.00 0.00 H new ATOM 0 H5 DC B 16 29.366 35.481 23.264 1.00 0.00 H new ATOM 0 H6 DC B 16 31.635 34.880 22.530 1.00 0.00 H new ATOM 506 P DA B 17 35.379 31.957 18.723 1.00 0.00 P ATOM 507 OP1 DA B 17 36.260 30.857 18.264 1.00 0.00 O ATOM 508 OP2 DA B 17 35.814 33.359 18.528 1.00 0.00 O ATOM 509 O5' DA B 17 33.950 31.780 18.034 1.00 0.00 O ATOM 510 C5' DA B 17 33.333 30.495 17.983 1.00 0.00 C ATOM 511 C4' DA B 17 32.126 30.402 17.039 1.00 0.00 C ATOM 512 O4' DA B 17 30.893 30.628 17.719 1.00 0.00 O ATOM 513 C3' DA B 17 32.204 31.310 15.802 1.00 0.00 C ATOM 514 O3' DA B 17 32.121 30.489 14.644 1.00 0.00 O ATOM 515 C2' DA B 17 31.027 32.231 16.017 1.00 0.00 C ATOM 516 C1' DA B 17 30.075 31.474 16.931 1.00 0.00 C ATOM 517 N9 DA B 17 29.265 32.342 17.804 1.00 0.00 N ATOM 518 C8 DA B 17 29.692 33.428 18.501 1.00 0.00 C ATOM 519 N7 DA B 17 28.768 34.058 19.177 1.00 0.00 N ATOM 520 C5 DA B 17 27.624 33.275 18.918 1.00 0.00 C ATOM 521 C6 DA B 17 26.271 33.298 19.340 1.00 0.00 C ATOM 522 N6 DA B 17 25.745 34.195 20.147 1.00 0.00 N ATOM 523 N1 DA B 17 25.402 32.358 18.951 1.00 0.00 N ATOM 524 C2 DA B 17 25.842 31.416 18.126 1.00 0.00 C ATOM 525 N3 DA B 17 27.067 31.264 17.632 1.00 0.00 N ATOM 526 C4 DA B 17 27.919 32.229 18.082 1.00 0.00 C ATOM 0 H5' DA B 17 33.013 30.220 18.988 1.00 0.00 H new ATOM 0 H5'' DA B 17 34.077 29.761 17.673 1.00 0.00 H new ATOM 0 H4' DA B 17 32.161 29.375 16.676 1.00 0.00 H new ATOM 0 H3' DA B 17 33.120 31.885 15.665 1.00 0.00 H new ATOM 0 H2' DA B 17 31.342 33.170 16.471 1.00 0.00 H new ATOM 0 H2'' DA B 17 30.547 32.480 15.071 1.00 0.00 H new ATOM 0 H1' DA B 17 29.350 30.932 16.324 1.00 0.00 H new ATOM 0 H8 DA B 17 30.723 33.748 18.496 1.00 0.00 H new ATOM 0 H61 DA B 17 24.759 34.137 20.400 1.00 0.00 H new ATOM 0 H62 DA B 17 26.324 34.948 20.519 1.00 0.00 H new ATOM 0 H2 DA B 17 25.114 30.681 17.817 1.00 0.00 H new ATOM 538 P DT B 18 32.322 31.005 13.147 1.00 0.00 P ATOM 539 OP1 DT B 18 32.586 29.802 12.330 1.00 0.00 O ATOM 540 OP2 DT B 18 33.295 32.123 13.115 1.00 0.00 O ATOM 541 O5' DT B 18 30.875 31.541 12.741 1.00 0.00 O ATOM 542 C5' DT B 18 29.823 30.588 12.617 1.00 0.00 C ATOM 543 C4' DT B 18 28.409 31.156 12.690 1.00 0.00 C ATOM 544 O4' DT B 18 28.257 31.945 13.850 1.00 0.00 O ATOM 545 C3' DT B 18 27.947 32.059 11.546 1.00 0.00 C ATOM 546 O3' DT B 18 27.548 31.343 10.378 1.00 0.00 O ATOM 547 C2' DT B 18 26.748 32.747 12.217 1.00 0.00 C ATOM 548 C1' DT B 18 27.002 32.580 13.726 1.00 0.00 C ATOM 549 N1 DT B 18 26.931 33.840 14.506 1.00 0.00 N ATOM 550 C2 DT B 18 25.710 34.165 15.107 1.00 0.00 C ATOM 551 O2 DT B 18 24.660 33.564 14.889 1.00 0.00 O ATOM 552 N3 DT B 18 25.722 35.199 16.008 1.00 0.00 N ATOM 553 C4 DT B 18 26.819 35.949 16.358 1.00 0.00 C ATOM 554 O4 DT B 18 26.671 36.839 17.191 1.00 0.00 O ATOM 555 C5 DT B 18 28.061 35.577 15.681 1.00 0.00 C ATOM 556 C7 DT B 18 29.351 36.319 15.988 1.00 0.00 C ATOM 557 C6 DT B 18 28.070 34.551 14.789 1.00 0.00 C ATOM 0 H5' DT B 18 29.937 29.843 13.404 1.00 0.00 H new ATOM 0 H5'' DT B 18 29.938 30.068 11.666 1.00 0.00 H new ATOM 0 H4' DT B 18 27.806 30.249 12.660 1.00 0.00 H new ATOM 0 H3' DT B 18 28.726 32.722 11.169 1.00 0.00 H new ATOM 0 H2' DT B 18 26.688 33.799 11.939 1.00 0.00 H new ATOM 0 H2'' DT B 18 25.807 32.284 11.919 1.00 0.00 H new ATOM 0 HO3' DT B 18 27.263 31.977 9.687 1.00 0.00 H new ATOM 0 H1' DT B 18 26.203 31.979 14.160 1.00 0.00 H new ATOM 0 H3 DT B 18 24.837 35.432 16.459 1.00 0.00 H new ATOM 0 H71 DT B 18 30.198 35.646 15.855 1.00 0.00 H new ATOM 0 H72 DT B 18 29.452 37.168 15.312 1.00 0.00 H new ATOM 0 H73 DT B 18 29.329 36.676 17.018 1.00 0.00 H new ATOM 0 H6 DT B 18 28.993 34.290 14.293 1.00 0.00 H new TER 571 DT B 18 CONECT 104 130 CONECT 129 130 CONECT 130 104 129 131 132 CONECT 131 130 CONECT 132 130 133 CONECT 133 132 134 150 151 CONECT 134 133 135 138 152 CONECT 135 134 136 137 153 CONECT 136 135 139 154 155 CONECT 137 135 161 CONECT 138 134 139 CONECT 139 136 138 140 156 CONECT 140 139 141 142 CONECT 141 140 144 157 CONECT 142 140 143 CONECT 143 142 144 149 CONECT 144 141 143 145 CONECT 145 144 146 147 CONECT 146 145 158 159 CONECT 147 145 148 CONECT 148 147 149 160 CONECT 149 143 148 CONECT 150 133 CONECT 151 133 CONECT 152 134 CONECT 153 135 CONECT 154 136 CONECT 155 136 CONECT 156 139 CONECT 157 141 CONECT 158 146 CONECT 159 146 CONECT 160 148 CONECT 161 137 END