USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 275 hydrogens (48 hets) HEADER DNA 29-SEP-03 1R2L TITLE A PARALLEL STRANDED DNA DUPLEX WITH AN A-G MISMATCH BASE- TITLE 2 PAIR COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(P*(DNR)P*(DNR) COMPND 3 P*DAP*DTP*DAP*DAP*DTP*DTP*DTP*DAP*(DNR)P*(DNR))-3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: PS-DNA; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: 5'-D(P*CP*CP*TP*AP*TP*GP*AP*AP*AP*TP*CP*C)-3'; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 OTHER_DETAILS: PS-DNA SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE DNA DUPLEX WAS SYNTHESIZED WITH AN SOURCE 4 APPLIED BIOSYSTEMS MODEL 380B DNA SYNTHESIZER USING SOLID SOURCE 5 STATE PHOSPHORAMIDATE CHEMISTRY.; SOURCE 6 MOL_ID: 2; SOURCE 7 SYNTHETIC: YES KEYWDS PS-DNA, A:G MISMATCH, PARALLEL DNA DUPLEX EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.P.VENKITAKRISHNAN,S.R.BHAUMIK,K.V.R.CHARY,G.GOVIL,K.LIU, AUTHOR 2 F.B.HOWARD,T.H.MILES REVDAT 2 24-FEB-09 1R2L 1 VERSN REVDAT 1 12-OCT-04 1R2L 0 JRNL AUTH R.P.VENKITAKRISHNAN,S.R.BHAUMIK,K.V.R.CHARY, JRNL AUTH 2 G.GOVIL,K.LIU,F.B.HOWARD,T.H.MILES JRNL TITL A PARALLEL STRANDED DNA DUPLEX WITH AN A-G JRNL TITL 2 MISMATCH BASE-PAIR: (CCATAATTTACC:CCTATGAAATCC) JRNL REF RECENT TRENDS IN 1 2004 JRNL REF 2 BIOPHYS.RES. JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 3.1 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE RESULTING STRUCTURE WAS ENERGY REMARK 3 MINIMIZED USING THE NMR CONSTRAINTS REMARK 4 REMARK 4 1R2L COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-SEP-03. REMARK 100 THE RCSB ID CODE IS RCSB020358. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 278 REMARK 210 PH : 6.8; 5.5 REMARK 210 IONIC STRENGTH : 0.1 M NACL, 100% D2O; 0.1 M REMARK 210 NACL, 10% D2O, 90% H2O REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 5 MM CONCENTRATION OF EACH REMARK 210 STRAND TO FORM THE DUPLEX REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, JUMP REMARK 210 RETURN NOESY, E-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA, AMX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : INSIGHT II REMARK 210 METHOD USED : FROM THE STRUCTURE 1JUU, THE REMARK 210 REQUIRED T BASE WAS REPLACED REMARK 210 BY G USING INSIGHTII. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY MINIMIZED USING THE REMARK 210 NMR CONSTRAINTS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 2D HOMONUCLEAR REMARK 210 TECHNIQUES 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 8 C5 DT A 8 C7 0.041 REMARK 500 DT A 9 C5 DT A 9 C7 0.040 REMARK 500 DT B 3 C5 DT B 3 C7 0.036 REMARK 500 DT B 10 C5 DT B 10 C7 0.039 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 3 C4 - C5 - C6 ANGL. DEV. = -4.2 DEGREES REMARK 500 DA A 3 C5 - C6 - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 DA A 3 N1 - C6 - N6 ANGL. DEV. = -5.3 DEGREES REMARK 500 DT A 4 O4' - C1' - N1 ANGL. DEV. = -4.2 DEGREES REMARK 500 DT A 4 N1 - C2 - O2 ANGL. DEV. = 5.3 DEGREES REMARK 500 DT A 4 N3 - C2 - O2 ANGL. DEV. = -7.3 DEGREES REMARK 500 DT A 4 C6 - C5 - C7 ANGL. DEV. = -15.5 DEGREES REMARK 500 DA A 5 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 5 C5 - C6 - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 5 N1 - C6 - N6 ANGL. DEV. = -6.7 DEGREES REMARK 500 DA A 6 C4 - C5 - C6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 6 C5 - C6 - N1 ANGL. DEV. = 5.7 DEGREES REMARK 500 DA A 6 N1 - C6 - N6 ANGL. DEV. = -6.3 DEGREES REMARK 500 DT A 7 O4' - C1' - C2' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT A 7 N3 - C2 - O2 ANGL. DEV. = -6.7 DEGREES REMARK 500 DT A 7 C4 - C5 - C7 ANGL. DEV. = 4.5 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -6.1 DEGREES REMARK 500 DT A 8 N3 - C2 - O2 ANGL. DEV. = -5.3 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -4.7 DEGREES REMARK 500 DT A 9 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT A 9 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 10 C4 - C5 - C6 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA A 10 C5 - C6 - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 10 N1 - C6 - N6 ANGL. DEV. = -6.2 DEGREES REMARK 500 DC B 1 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DC B 2 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DT B 3 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT B 3 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 4 C4 - C5 - C6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA B 4 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 4 N1 - C6 - N6 ANGL. DEV. = -7.7 DEGREES REMARK 500 DT B 5 N3 - C2 - O2 ANGL. DEV. = -5.7 DEGREES REMARK 500 DT B 5 C4 - C5 - C7 ANGL. DEV. = 6.2 DEGREES REMARK 500 DT B 5 C6 - C5 - C7 ANGL. DEV. = -9.2 DEGREES REMARK 500 DG B 6 C5 - C6 - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG B 6 N3 - C2 - N2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DG B 6 N1 - C6 - O6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA B 7 C4 - C5 - C6 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 7 C5 - C6 - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DA B 7 N1 - C6 - N6 ANGL. DEV. = -7.3 DEGREES REMARK 500 DA B 8 C4 - C5 - C6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA B 8 C5 - C6 - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 DA B 8 N1 - C6 - N6 ANGL. DEV. = -5.9 DEGREES REMARK 500 DA B 9 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 9 C5 - C6 - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DA B 9 N1 - C6 - N6 ANGL. DEV. = -5.1 DEGREES REMARK 500 DT B 10 N3 - C2 - O2 ANGL. DEV. = -4.1 DEGREES REMARK 500 DC B 11 N3 - C2 - O2 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC B 12 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DC B 12 N3 - C4 - N4 ANGL. DEV. = -5.3 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 DA A 3 0.22 SIDE_CHAIN REMARK 500 DT A 4 0.11 SIDE_CHAIN REMARK 500 DA A 5 0.09 SIDE_CHAIN REMARK 500 DA A 6 0.11 SIDE_CHAIN REMARK 500 DT A 7 0.09 SIDE_CHAIN REMARK 500 DC B 1 0.10 SIDE_CHAIN REMARK 500 DC B 2 0.09 SIDE_CHAIN REMARK 500 DT B 3 0.10 SIDE_CHAIN REMARK 500 DA B 4 0.15 SIDE_CHAIN REMARK 500 DT B 5 0.08 SIDE_CHAIN REMARK 500 DA B 7 0.06 SIDE_CHAIN REMARK 500 DA B 8 0.13 SIDE_CHAIN REMARK 500 DC B 11 0.08 SIDE_CHAIN REMARK 500 DC B 12 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JUU RELATED DB: PDB REMARK 900 NMR STRUCTURE OF A PARALLEL STRANDED DNA DUPLEX AT ATOMIC REMARK 900 RESOLUTION DBREF 1R2L A 1 12 PDB 1R2L 1R2L 1 12 DBREF 1R2L B 1 12 PDB 1R2L 1R2L 1 12 SEQRES 1 A 12 DNR DNR DA DT DA DA DT DT DT DA DNR DNR SEQRES 1 B 12 DC DC DT DA DT DG DA DA DA DT DC DC MODRES 1R2L DNR A 1 DC MODRES 1R2L DNR A 2 DC MODRES 1R2L DNR A 11 DC MODRES 1R2L DNR A 12 DC HET DNR A 1 31 HET DNR A 2 31 HET DNR A 11 31 HET DNR A 12 31 HETNAM DNR 2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE FORMUL 1 DNR 4(C9 H15 N3 O7 P 1+) LINK O3' DNR A 1 P DNR A 2 1555 1555 1.62 LINK O3' DNR A 2 P DA A 3 1555 1555 1.62 LINK O3' DA A 10 P DNR A 11 1555 1555 1.62 LINK O3' DNR A 11 P DNR A 12 1555 1555 1.62 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 Set 1.1: A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 8 DT C7 :methyl -30:sc= -0.0226 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DNR O3' : rot 180:sc= 0 USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.585 (180deg=-0.585) USER MOD Single : B 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 P DNR A 1 -10.128 -3.065 -3.784 1.00 0.00 P HETATM 2 OP1 DNR A 1 -10.918 -4.190 -4.342 1.00 0.00 O HETATM 3 OP2 DNR A 1 -9.622 -2.056 -4.745 1.00 0.00 O HETATM 4 O5' DNR A 1 -8.854 -3.697 -3.021 1.00 0.00 O HETATM 5 C5' DNR A 1 -7.875 -4.429 -3.740 1.00 0.00 C HETATM 6 C4' DNR A 1 -6.676 -4.935 -2.901 1.00 0.00 C HETATM 7 O4' DNR A 1 -5.846 -3.855 -2.447 1.00 0.00 O HETATM 8 C1' DNR A 1 -5.448 -4.088 -1.098 1.00 0.00 C HETATM 9 N1 DNR A 1 -5.268 -2.831 -0.384 1.00 0.00 N HETATM 10 C6 DNR A 1 -6.298 -1.784 -0.535 1.00 0.00 C HETATM 11 C2 DNR A 1 -4.166 -2.534 0.337 1.00 0.00 C HETATM 12 O2 DNR A 1 -3.278 -3.363 0.509 1.00 0.00 O HETATM 13 N3 DNR A 1 -3.979 -1.300 0.824 1.00 0.00 N HETATM 14 C4 DNR A 1 -4.900 -0.304 0.626 1.00 0.00 C HETATM 15 N4 DNR A 1 -4.600 0.990 1.147 1.00 0.00 N HETATM 16 C5 DNR A 1 -6.062 -0.543 -0.033 1.00 0.00 C HETATM 17 C2' DNR A 1 -6.541 -4.959 -0.508 1.00 0.00 C HETATM 18 C3' DNR A 1 -6.943 -5.852 -1.686 1.00 0.00 C HETATM 19 O3' DNR A 1 -6.091 -7.005 -1.847 1.00 0.00 O HETATM 0 H5'' DNR A 1 -8.358 -5.287 -4.207 1.00 0.00 H new HETATM 0 H2'' DNR A 1 -6.179 -5.544 0.337 1.00 0.00 H new HETATM 0 HN3 DNR A 1 -3.132 -1.097 1.354 1.00 0.00 H new HETATM 0 H6 DNR A 1 -7.237 -2.004 -1.043 1.00 0.00 H new HETATM 0 H5' DNR A 1 -7.494 -3.800 -4.545 1.00 0.00 H new HETATM 0 H5 DNR A 1 -6.798 0.251 -0.158 1.00 0.00 H new HETATM 0 H42 DNR A 1 -5.261 1.757 1.020 1.00 0.00 H new HETATM 0 H41 DNR A 1 -3.725 1.148 1.647 1.00 0.00 H new HETATM 0 H4' DNR A 1 -6.190 -5.574 -3.639 1.00 0.00 H new HETATM 0 H3' DNR A 1 -7.959 -6.225 -1.558 1.00 0.00 H new HETATM 0 H2' DNR A 1 -7.380 -4.364 -0.147 1.00 0.00 H new HETATM 0 H1' DNR A 1 -4.482 -4.587 -1.024 1.00 0.00 H new HETATM 32 P DNR A 2 -6.272 -8.163 -0.729 1.00 0.00 P HETATM 33 OP1 DNR A 2 -5.924 -9.434 -1.409 1.00 0.00 O HETATM 34 OP2 DNR A 2 -7.596 -8.022 -0.096 1.00 0.00 O HETATM 35 O5' DNR A 2 -5.099 -7.856 0.337 1.00 0.00 O HETATM 36 C5' DNR A 2 -3.742 -8.038 -0.046 1.00 0.00 C HETATM 37 C4' DNR A 2 -2.680 -7.635 1.005 1.00 0.00 C HETATM 38 O4' DNR A 2 -2.766 -6.251 1.339 1.00 0.00 O HETATM 39 C1' DNR A 2 -2.591 -6.047 2.738 1.00 0.00 C HETATM 40 N1 DNR A 2 -3.478 -4.982 3.189 1.00 0.00 N HETATM 41 C6 DNR A 2 -4.897 -5.038 2.788 1.00 0.00 C HETATM 42 C2 DNR A 2 -3.066 -3.910 3.898 1.00 0.00 C HETATM 43 O2 DNR A 2 -1.913 -3.830 4.316 1.00 0.00 O HETATM 44 N3 DNR A 2 -3.902 -2.895 4.156 1.00 0.00 N HETATM 45 C4 DNR A 2 -5.215 -2.934 3.760 1.00 0.00 C HETATM 46 N4 DNR A 2 -6.042 -1.826 4.106 1.00 0.00 N HETATM 47 C5 DNR A 2 -5.717 -3.998 3.087 1.00 0.00 C HETATM 48 C2' DNR A 2 -2.872 -7.387 3.406 1.00 0.00 C HETATM 49 C3' DNR A 2 -2.575 -8.435 2.321 1.00 0.00 C HETATM 50 O3' DNR A 2 -1.232 -8.956 2.363 1.00 0.00 O HETATM 0 H5'' DNR A 2 -3.594 -9.088 -0.298 1.00 0.00 H new HETATM 0 H2'' DNR A 2 -2.239 -7.533 4.281 1.00 0.00 H new HETATM 0 HN3 DNR A 2 -3.555 -2.077 4.657 1.00 0.00 H new HETATM 0 H6 DNR A 2 -5.284 -5.907 2.256 1.00 0.00 H new HETATM 0 H5' DNR A 2 -3.561 -7.463 -0.954 1.00 0.00 H new HETATM 0 H5 DNR A 2 -6.765 -4.018 2.790 1.00 0.00 H new HETATM 0 H42 DNR A 2 -7.024 -1.817 3.830 1.00 0.00 H new HETATM 0 H41 DNR A 2 -5.652 -1.042 4.630 1.00 0.00 H new HETATM 0 H4' DNR A 2 -1.772 -7.892 0.460 1.00 0.00 H new HETATM 0 H3' DNR A 2 -3.252 -9.281 2.440 1.00 0.00 H new HETATM 0 H2' DNR A 2 -3.906 -7.451 3.746 1.00 0.00 H new HETATM 0 H1' DNR A 2 -1.582 -5.725 2.996 1.00 0.00 H new ATOM 63 P DA A 3 -0.889 -9.944 3.604 1.00 0.00 P ATOM 64 OP1 DA A 3 0.077 -10.940 3.078 1.00 0.00 O ATOM 65 OP2 DA A 3 -2.147 -10.425 4.209 1.00 0.00 O ATOM 66 O5' DA A 3 -0.098 -8.991 4.636 1.00 0.00 O ATOM 67 C5' DA A 3 1.127 -8.374 4.250 1.00 0.00 C ATOM 68 C4' DA A 3 1.628 -7.259 5.189 1.00 0.00 C ATOM 69 O4' DA A 3 0.563 -6.415 5.587 1.00 0.00 O ATOM 70 C3' DA A 3 2.408 -7.696 6.451 1.00 0.00 C ATOM 71 O3' DA A 3 3.705 -7.135 6.377 1.00 0.00 O ATOM 72 C2' DA A 3 1.563 -7.086 7.564 1.00 0.00 C ATOM 73 C1' DA A 3 0.866 -5.919 6.870 1.00 0.00 C ATOM 74 N9 DA A 3 -0.429 -5.613 7.488 1.00 0.00 N ATOM 75 C8 DA A 3 -1.472 -6.485 7.705 1.00 0.00 C ATOM 76 N7 DA A 3 -2.648 -5.926 7.705 1.00 0.00 N ATOM 77 C5 DA A 3 -2.333 -4.570 7.546 1.00 0.00 C ATOM 78 C6 DA A 3 -3.066 -3.392 7.335 1.00 0.00 C ATOM 79 N6 DA A 3 -4.355 -3.363 7.098 1.00 0.00 N ATOM 80 N1 DA A 3 -2.487 -2.204 7.227 1.00 0.00 N ATOM 81 C2 DA A 3 -1.169 -2.152 7.331 1.00 0.00 C ATOM 82 N3 DA A 3 -0.333 -3.178 7.398 1.00 0.00 N ATOM 83 C4 DA A 3 -0.986 -4.367 7.507 1.00 0.00 C ATOM 0 H5' DA A 3 1.005 -7.957 3.250 1.00 0.00 H new ATOM 0 H5'' DA A 3 1.897 -9.143 4.183 1.00 0.00 H new ATOM 0 H4' DA A 3 2.357 -6.738 4.568 1.00 0.00 H new ATOM 0 H3' DA A 3 2.549 -8.768 6.588 1.00 0.00 H new ATOM 0 H2' DA A 3 0.846 -7.803 7.965 1.00 0.00 H new ATOM 0 H2'' DA A 3 2.178 -6.749 8.399 1.00 0.00 H new ATOM 0 H1' DA A 3 1.494 -5.029 6.904 1.00 0.00 H new ATOM 0 H8 DA A 3 -1.327 -7.544 7.862 1.00 0.00 H new ATOM 0 H61 DA A 3 -4.827 -2.470 6.953 1.00 0.00 H new ATOM 0 H62 DA A 3 -4.886 -4.233 7.058 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.727 -1.167 7.365 1.00 0.00 H new ATOM 95 P DT A 4 4.756 -7.220 7.578 1.00 0.00 P ATOM 96 OP1 DT A 4 6.100 -7.063 6.976 1.00 0.00 O ATOM 97 OP2 DT A 4 4.454 -8.438 8.358 1.00 0.00 O ATOM 98 O5' DT A 4 4.392 -5.897 8.434 1.00 0.00 O ATOM 99 C5' DT A 4 4.532 -4.603 7.855 1.00 0.00 C ATOM 100 C4' DT A 4 4.130 -3.399 8.741 1.00 0.00 C ATOM 101 O4' DT A 4 2.728 -3.199 8.910 1.00 0.00 O ATOM 102 C3' DT A 4 4.781 -3.424 10.127 1.00 0.00 C ATOM 103 O3' DT A 4 5.377 -2.161 10.324 1.00 0.00 O ATOM 104 C2' DT A 4 3.616 -3.776 11.042 1.00 0.00 C ATOM 105 C1' DT A 4 2.396 -3.164 10.290 1.00 0.00 C ATOM 106 N1 DT A 4 1.047 -3.769 10.343 1.00 0.00 N ATOM 107 C2 DT A 4 -0.112 -2.982 10.515 1.00 0.00 C ATOM 108 O2 DT A 4 -0.228 -1.769 10.411 1.00 0.00 O ATOM 109 N3 DT A 4 -1.255 -3.644 10.835 1.00 0.00 N ATOM 110 C4 DT A 4 -1.339 -4.960 11.148 1.00 0.00 C ATOM 111 O4 DT A 4 -2.409 -5.396 11.533 1.00 0.00 O ATOM 112 C5 DT A 4 -0.095 -5.714 10.992 1.00 0.00 C ATOM 113 C7 DT A 4 0.381 -6.624 12.101 1.00 0.00 C ATOM 114 C6 DT A 4 0.992 -5.121 10.462 1.00 0.00 C ATOM 0 H5' DT A 4 3.933 -4.571 6.945 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.573 -4.474 7.557 1.00 0.00 H new ATOM 0 H4' DT A 4 4.513 -2.559 8.161 1.00 0.00 H new ATOM 0 H3' DT A 4 5.586 -4.138 10.299 1.00 0.00 H new ATOM 0 H2' DT A 4 3.513 -4.853 11.171 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.737 -3.346 12.036 1.00 0.00 H new ATOM 0 H1' DT A 4 2.275 -2.214 10.811 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.121 -3.106 10.840 1.00 0.00 H new ATOM 0 H71 DT A 4 0.945 -7.453 11.674 1.00 0.00 H new ATOM 0 H72 DT A 4 1.020 -6.063 12.783 1.00 0.00 H new ATOM 0 H73 DT A 4 -0.479 -7.013 12.647 1.00 0.00 H new ATOM 0 H6 DT A 4 1.824 -5.724 10.130 1.00 0.00 H new ATOM 127 P DA A 5 6.491 -1.868 11.431 1.00 0.00 P ATOM 128 OP1 DA A 5 7.630 -1.188 10.766 1.00 0.00 O ATOM 129 OP2 DA A 5 6.741 -3.088 12.225 1.00 0.00 O ATOM 130 O5' DA A 5 5.689 -0.793 12.302 1.00 0.00 O ATOM 131 C5' DA A 5 5.258 0.424 11.704 1.00 0.00 C ATOM 132 C4' DA A 5 4.055 1.057 12.423 1.00 0.00 C ATOM 133 O4' DA A 5 2.938 0.167 12.486 1.00 0.00 O ATOM 134 C3' DA A 5 4.372 1.557 13.847 1.00 0.00 C ATOM 135 O3' DA A 5 4.244 2.971 13.894 1.00 0.00 O ATOM 136 C2' DA A 5 3.274 0.843 14.635 1.00 0.00 C ATOM 137 C1' DA A 5 2.171 0.528 13.614 1.00 0.00 C ATOM 138 N9 DA A 5 1.280 -0.606 13.978 1.00 0.00 N ATOM 139 C8 DA A 5 1.640 -1.856 14.416 1.00 0.00 C ATOM 140 N7 DA A 5 0.674 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4.798 3.862 15.114 1.00 0.00 P ATOM 160 OP1 DA A 6 5.738 4.866 14.556 1.00 0.00 O ATOM 161 OP2 DA A 6 5.257 2.979 16.203 1.00 0.00 O ATOM 162 O5' DA A 6 3.485 4.655 15.611 1.00 0.00 O ATOM 163 C5' DA A 6 2.876 5.631 14.776 1.00 0.00 C ATOM 164 C4' DA A 6 1.417 5.985 15.146 1.00 0.00 C ATOM 165 O4' DA A 6 0.662 4.788 15.230 1.00 0.00 O ATOM 166 C3' DA A 6 1.176 6.806 16.434 1.00 0.00 C ATOM 167 O3' DA A 6 0.145 7.751 16.198 1.00 0.00 O ATOM 168 C2' DA A 6 0.750 5.729 17.423 1.00 0.00 C ATOM 169 C1' DA A 6 0.088 4.683 16.515 1.00 0.00 C ATOM 170 N9 DA A 6 0.227 3.279 16.951 1.00 0.00 N ATOM 171 C8 DA A 6 1.374 2.535 17.157 1.00 0.00 C ATOM 172 N7 DA A 6 1.168 1.256 17.299 1.00 0.00 N ATOM 173 C5 DA A 6 -0.213 1.149 17.129 1.00 0.00 C ATOM 174 C6 DA A 6 -1.102 0.075 16.995 1.00 0.00 C ATOM 175 N6 DA A 6 -0.713 -1.166 16.914 1.00 0.00 N ATOM 176 N1 DA A 6 -2.380 0.222 16.686 1.00 0.00 N ATOM 177 C2 DA A 6 -2.824 1.462 16.542 1.00 0.00 C ATOM 178 N3 DA A 6 -2.111 2.583 16.632 1.00 0.00 N ATOM 179 C4 DA A 6 -0.795 2.360 16.906 1.00 0.00 C ATOM 0 H5' DA A 6 2.898 5.272 13.747 1.00 0.00 H new ATOM 0 H5'' DA A 6 3.475 6.541 14.809 1.00 0.00 H new ATOM 0 H4' DA A 6 1.103 6.652 14.343 1.00 0.00 H new ATOM 0 H3' DA A 6 2.032 7.381 16.786 1.00 0.00 H new ATOM 0 H2' DA A 6 1.601 5.316 17.964 1.00 0.00 H new ATOM 0 H2'' DA A 6 0.056 6.116 18.169 1.00 0.00 H new ATOM 0 H1' DA A 6 -0.979 4.906 16.542 1.00 0.00 H new ATOM 0 H8 DA A 6 2.359 2.977 17.197 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.403 -1.911 16.817 1.00 0.00 H new ATOM 0 H62 DA A 6 0.281 -1.392 16.947 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.877 1.576 16.329 1.00 0.00 H new ATOM 191 P DT A 7 -0.444 8.698 17.352 1.00 0.00 P ATOM 192 OP1 DT A 7 -1.011 9.897 16.690 1.00 0.00 O ATOM 193 OP2 DT A 7 0.614 8.892 18.369 1.00 0.00 O ATOM 194 O5' DT A 7 -1.653 7.823 17.981 1.00 0.00 O ATOM 195 C5' DT A 7 -2.776 7.448 17.184 1.00 0.00 C ATOM 196 C4' DT A 7 -3.757 6.428 17.821 1.00 0.00 C ATOM 197 O4' DT A 7 -3.174 5.148 18.059 1.00 0.00 O ATOM 198 C3' DT A 7 -4.447 6.880 19.124 1.00 0.00 C ATOM 199 O3' DT A 7 -5.826 7.110 18.874 1.00 0.00 O ATOM 200 C2' DT A 7 -4.182 5.672 20.036 1.00 0.00 C ATOM 201 C1' DT A 7 -3.886 4.492 19.096 1.00 0.00 C ATOM 202 N1 DT A 7 -2.974 3.466 19.688 1.00 0.00 N ATOM 203 C2 DT A 7 -3.331 2.106 19.719 1.00 0.00 C ATOM 204 O2 DT A 7 -4.441 1.631 19.525 1.00 0.00 O ATOM 205 N3 DT A 7 -2.354 1.208 20.043 1.00 0.00 N ATOM 206 C4 DT A 7 -1.076 1.520 20.408 1.00 0.00 C ATOM 207 O4 DT A 7 -0.309 0.597 20.628 1.00 0.00 O ATOM 208 C5 DT A 7 -0.773 2.956 20.460 1.00 0.00 C ATOM 209 C7 DT A 7 0.557 3.520 20.963 1.00 0.00 C ATOM 210 C6 DT A 7 -1.710 3.852 20.083 1.00 0.00 C ATOM 0 H5' DT A 7 -2.407 7.030 16.247 1.00 0.00 H new ATOM 0 H5'' DT A 7 -3.334 8.350 16.933 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.521 6.360 17.047 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.090 7.813 19.559 1.00 0.00 H new ATOM 0 H2' DT A 7 -3.340 5.862 20.701 1.00 0.00 H new ATOM 0 H2'' DT A 7 -5.046 5.462 20.667 1.00 0.00 H new ATOM 0 H1' DT A 7 -4.794 3.955 18.823 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.601 0.219 20.009 1.00 0.00 H new ATOM 0 H71 DT A 7 0.772 4.458 20.450 1.00 0.00 H new ATOM 0 H72 DT A 7 0.493 3.700 22.036 1.00 0.00 H new ATOM 0 H73 DT A 7 1.355 2.805 20.762 1.00 0.00 H new ATOM 0 H6 DT A 7 -1.462 4.903 20.091 1.00 0.00 H new ATOM 223 P DT A 8 -6.823 7.719 19.976 1.00 0.00 P ATOM 224 OP1 DT A 8 -8.053 8.170 19.281 1.00 0.00 O ATOM 225 OP2 DT A 8 -6.082 8.698 20.804 1.00 0.00 O ATOM 226 O5' DT A 8 -7.198 6.446 20.881 1.00 0.00 O ATOM 227 C5' DT A 8 -7.884 5.331 20.323 1.00 0.00 C ATOM 228 C4' DT A 8 -7.855 4.080 21.230 1.00 0.00 C ATOM 229 O4' DT A 8 -6.541 3.533 21.324 1.00 0.00 O ATOM 230 C3' DT A 8 -8.375 4.299 22.669 1.00 0.00 C ATOM 231 O3' DT A 8 -9.525 3.509 22.923 1.00 0.00 O ATOM 232 C2' DT A 8 -7.182 3.829 23.505 1.00 0.00 C ATOM 233 C1' DT A 8 -6.445 2.874 22.563 1.00 0.00 C ATOM 234 N1 DT A 8 -5.005 2.685 22.888 1.00 0.00 N ATOM 235 C2 DT A 8 -4.505 1.383 22.899 1.00 0.00 C ATOM 236 O2 DT A 8 -5.171 0.366 22.795 1.00 0.00 O ATOM 237 N3 DT A 8 -3.167 1.228 23.082 1.00 0.00 N ATOM 238 C4 DT A 8 -2.277 2.231 23.336 1.00 0.00 C ATOM 239 O4 DT A 8 -1.114 1.924 23.544 1.00 0.00 O ATOM 240 C5 DT A 8 -2.832 3.591 23.296 1.00 0.00 C ATOM 241 C7 DT A 8 -1.972 4.837 23.559 1.00 0.00 C ATOM 242 C6 DT A 8 -4.160 3.765 23.065 1.00 0.00 C ATOM 0 H5' DT A 8 -7.438 5.083 19.360 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.920 5.609 20.132 1.00 0.00 H new ATOM 0 H4' DT A 8 -8.540 3.393 20.734 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.685 5.323 22.878 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.549 4.663 23.807 1.00 0.00 H new ATOM 0 H2'' DT A 8 -7.503 3.326 24.417 1.00 0.00 H new ATOM 0 H1' DT A 8 -6.877 1.875 22.612 1.00 0.00 H new ATOM 0 H3 DT A 8 -2.796 0.280 23.024 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.166 4.584 24.247 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.549 5.192 22.619 1.00 0.00 H new ATOM 0 H73 DT A 8 -2.591 5.620 23.997 1.00 0.00 H new ATOM 0 H6 DT A 8 -4.563 4.766 23.019 1.00 0.00 H new ATOM 255 P DT A 9 -10.341 3.613 24.302 1.00 0.00 P ATOM 256 OP1 DT A 9 -11.771 3.362 24.008 1.00 0.00 O ATOM 257 OP2 DT A 9 -9.970 4.873 24.984 1.00 0.00 O ATOM 258 O5' DT A 9 -9.785 2.385 25.189 1.00 0.00 O ATOM 259 C5' DT A 9 -10.173 1.041 24.919 1.00 0.00 C ATOM 260 C4' DT A 9 -9.529 0.017 25.884 1.00 0.00 C ATOM 261 O4' DT A 9 -8.134 -0.131 25.639 1.00 0.00 O ATOM 262 C3' DT A 9 -9.749 0.330 27.379 1.00 0.00 C ATOM 263 O3' DT A 9 -10.882 -0.362 27.914 1.00 0.00 O ATOM 264 C2' DT A 9 -8.463 -0.202 27.980 1.00 0.00 C ATOM 265 C1' DT A 9 -7.443 -0.363 26.845 1.00 0.00 C ATOM 266 N1 DT A 9 -6.234 0.496 26.773 1.00 0.00 N ATOM 267 C2 DT A 9 -5.086 -0.117 26.259 1.00 0.00 C ATOM 268 O2 DT A 9 -4.981 -1.311 26.026 1.00 0.00 O ATOM 269 N3 DT A 9 -3.992 0.657 26.044 1.00 0.00 N ATOM 270 C4 DT A 9 -3.927 1.993 26.298 1.00 0.00 C ATOM 271 O4 DT A 9 -2.835 2.536 26.243 1.00 0.00 O ATOM 272 C5 DT A 9 -5.205 2.640 26.626 1.00 0.00 C ATOM 273 C7 DT A 9 -5.330 4.170 26.691 1.00 0.00 C ATOM 274 C6 DT A 9 -6.308 1.872 26.859 1.00 0.00 C ATOM 0 H5' DT A 9 -9.898 0.789 23.895 1.00 0.00 H new ATOM 0 H5'' DT A 9 -11.258 0.962 24.986 1.00 0.00 H new ATOM 0 H4' DT A 9 -10.047 -0.918 25.671 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.951 1.382 27.580 1.00 0.00 H new ATOM 0 H2' DT A 9 -8.085 0.483 28.739 1.00 0.00 H new ATOM 0 H2'' DT A 9 -8.639 -1.158 28.473 1.00 0.00 H new ATOM 0 H1' DT A 9 -7.043 -1.358 27.038 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.159 0.206 25.665 1.00 0.00 H new ATOM 0 H71 DT A 9 -6.343 4.464 26.417 1.00 0.00 H new ATOM 0 H72 DT A 9 -5.115 4.510 27.704 1.00 0.00 H new ATOM 0 H73 DT A 9 -4.621 4.623 25.998 1.00 0.00 H new ATOM 0 H6 DT A 9 -7.246 2.344 27.113 1.00 0.00 H new ATOM 287 P DA A 10 -11.255 -0.390 29.490 1.00 0.00 P ATOM 288 OP1 DA A 10 -12.651 -0.874 29.613 1.00 0.00 O ATOM 289 OP2 DA A 10 -10.908 0.917 30.090 1.00 0.00 O ATOM 290 O5' DA A 10 -10.320 -1.494 30.225 1.00 0.00 O ATOM 291 C5' DA A 10 -10.513 -2.895 30.036 1.00 0.00 C ATOM 292 C4' DA A 10 -9.530 -3.799 30.827 1.00 0.00 C ATOM 293 O4' DA A 10 -8.204 -3.445 30.466 1.00 0.00 O ATOM 294 C3' DA A 10 -9.634 -3.760 32.373 1.00 0.00 C ATOM 295 O3' DA A 10 -9.270 -5.010 32.955 1.00 0.00 O ATOM 296 C2' DA A 10 -8.626 -2.661 32.670 1.00 0.00 C ATOM 297 C1' DA A 10 -7.570 -2.853 31.576 1.00 0.00 C ATOM 298 N9 DA A 10 -6.924 -1.601 31.132 1.00 0.00 N ATOM 299 C8 DA A 10 -7.256 -0.290 31.348 1.00 0.00 C ATOM 300 N7 DA A 10 -6.363 0.586 30.967 1.00 0.00 N ATOM 301 C5 DA A 10 -5.455 -0.232 30.267 1.00 0.00 C ATOM 302 C6 DA A 10 -4.299 -0.033 29.481 1.00 0.00 C ATOM 303 N6 DA A 10 -3.731 1.121 29.234 1.00 0.00 N ATOM 304 N1 DA A 10 -3.661 -1.041 28.908 1.00 0.00 N ATOM 305 C2 DA A 10 -4.121 -2.267 29.097 1.00 0.00 C ATOM 306 N3 DA A 10 -5.177 -2.616 29.808 1.00 0.00 N ATOM 307 C4 DA A 10 -5.815 -1.551 30.344 1.00 0.00 C ATOM 0 H5' DA A 10 -10.418 -3.121 28.974 1.00 0.00 H new ATOM 0 H5'' DA A 10 -11.532 -3.150 30.326 1.00 0.00 H new ATOM 0 H4' DA A 10 -9.808 -4.816 30.550 1.00 0.00 H new ATOM 0 H3' DA A 10 -10.632 -3.579 32.772 1.00 0.00 H new ATOM 0 H2' DA A 10 -9.082 -1.672 32.621 1.00 0.00 H new ATOM 0 H2'' DA A 10 -8.197 -2.766 33.667 1.00 0.00 H new ATOM 0 H1' DA A 10 -6.780 -3.475 31.998 1.00 0.00 H new ATOM 0 H8 DA A 10 -8.192 0.001 31.802 1.00 0.00 H new ATOM 0 H61 DA A 10 -2.894 1.163 28.652 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.125 1.977 29.624 1.00 0.00 H new ATOM 0 H2 DA A 10 -3.575 -3.067 28.619 1.00 0.00 H new HETATM 319 P DNR A 11 -9.259 -5.294 34.548 1.00 0.00 P HETATM 320 OP1 DNR A 11 -9.845 -6.633 34.795 1.00 0.00 O HETATM 321 OP2 DNR A 11 -9.807 -4.130 35.279 1.00 0.00 O HETATM 322 O5' DNR A 11 -7.686 -5.409 34.882 1.00 0.00 O HETATM 323 C5' DNR A 11 -6.922 -6.490 34.350 1.00 0.00 C HETATM 324 C4' DNR A 11 -5.391 -6.271 34.402 1.00 0.00 C HETATM 325 O4' DNR A 11 -5.081 -5.043 33.742 1.00 0.00 O HETATM 326 C1' DNR A 11 -4.396 -4.170 34.613 1.00 0.00 C HETATM 327 N1 DNR A 11 -4.870 -2.810 34.390 1.00 0.00 N HETATM 328 C6 DNR A 11 -5.982 -2.207 35.168 1.00 0.00 C HETATM 329 C2 DNR A 11 -4.310 -2.055 33.424 1.00 0.00 C HETATM 330 O2 DNR A 11 -3.442 -2.485 32.680 1.00 0.00 O HETATM 331 N3 DNR A 11 -4.661 -0.774 33.290 1.00 0.00 N HETATM 332 C4 DNR A 11 -5.619 -0.182 34.050 1.00 0.00 C HETATM 333 N4 DNR A 11 -5.901 1.187 33.761 1.00 0.00 N HETATM 334 C5 DNR A 11 -6.295 -0.895 34.992 1.00 0.00 C HETATM 335 C2' DNR A 11 -4.584 -4.724 36.017 1.00 0.00 C HETATM 336 C3' DNR A 11 -4.683 -6.230 35.785 1.00 0.00 C HETATM 337 O3' DNR A 11 -3.400 -6.890 35.682 1.00 0.00 O HETATM 0 H5'' DNR A 11 -7.167 -7.398 34.900 1.00 0.00 H new HETATM 0 H2'' DNR A 11 -3.746 -4.470 36.666 1.00 0.00 H new HETATM 0 HN3 DNR A 11 -4.187 -0.212 32.583 1.00 0.00 H new HETATM 0 H6 DNR A 11 -6.545 -2.813 35.877 1.00 0.00 H new HETATM 0 H5' DNR A 11 -7.219 -6.655 33.314 1.00 0.00 H new HETATM 0 H5 DNR A 11 -7.072 -0.424 35.594 1.00 0.00 H new HETATM 0 H42 DNR A 11 -6.610 1.686 34.298 1.00 0.00 H new HETATM 0 H41 DNR A 11 -5.393 1.666 33.018 1.00 0.00 H new HETATM 0 H4' DNR A 11 -5.007 -7.173 33.925 1.00 0.00 H new HETATM 0 H3' DNR A 11 -5.186 -6.741 36.606 1.00 0.00 H new HETATM 0 H2' DNR A 11 -5.484 -4.329 36.489 1.00 0.00 H new HETATM 0 H1' DNR A 11 -3.322 -4.113 34.438 1.00 0.00 H new HETATM 350 P DNR A 12 -2.467 -6.846 37.011 1.00 0.00 P HETATM 351 OP1 DNR A 12 -1.745 -8.133 37.133 1.00 0.00 O HETATM 352 OP2 DNR A 12 -3.225 -6.351 38.183 1.00 0.00 O HETATM 353 O5' DNR A 12 -1.360 -5.743 36.622 1.00 0.00 O HETATM 354 C5' DNR A 12 -0.561 -5.904 35.449 1.00 0.00 C HETATM 355 C4' DNR A 12 0.639 -4.930 35.395 1.00 0.00 C HETATM 356 O4' DNR A 12 0.226 -3.618 34.999 1.00 0.00 O HETATM 357 C1' DNR A 12 0.640 -2.648 35.946 1.00 0.00 C HETATM 358 N1 DNR A 12 -0.362 -1.612 36.112 1.00 0.00 N HETATM 359 C6 DNR A 12 -1.781 -2.008 36.191 1.00 0.00 C HETATM 360 C2 DNR A 12 -0.067 -0.301 36.186 1.00 0.00 C HETATM 361 O2 DNR A 12 1.098 0.096 36.231 1.00 0.00 O HETATM 362 N3 DNR A 12 -1.044 0.611 36.236 1.00 0.00 N HETATM 363 C4 DNR A 12 -2.364 0.256 36.285 1.00 0.00 C HETATM 364 N4 DNR A 12 -3.336 1.298 36.340 1.00 0.00 N HETATM 365 C5 DNR A 12 -2.735 -1.046 36.277 1.00 0.00 C HETATM 366 C2' DNR A 12 0.874 -3.408 37.238 1.00 0.00 C HETATM 367 C3' DNR A 12 1.369 -4.761 36.737 1.00 0.00 C HETATM 368 O3' DNR A 12 2.783 -4.734 36.546 1.00 0.00 O HETATM 0 HO3' DNR A 12 3.228 -4.624 37.412 1.00 0.00 H new HETATM 0 H5'' DNR A 12 -0.192 -6.929 35.406 1.00 0.00 H new HETATM 0 H2'' DNR A 12 1.611 -2.915 37.872 1.00 0.00 H new HETATM 0 HN3 DNR A 12 -0.797 1.601 36.238 1.00 0.00 H new HETATM 0 H6 DNR A 12 -2.060 -3.062 36.180 1.00 0.00 H new HETATM 0 H5' DNR A 12 -1.185 -5.752 34.568 1.00 0.00 H new HETATM 0 H5 DNR A 12 -3.788 -1.319 36.339 1.00 0.00 H new HETATM 0 H42 DNR A 12 -4.329 1.068 36.377 1.00 0.00 H new HETATM 0 H41 DNR A 12 -3.038 2.274 36.342 1.00 0.00 H new HETATM 0 H4' DNR A 12 1.315 -5.385 34.671 1.00 0.00 H new HETATM 0 H3' DNR A 12 1.173 -5.577 37.433 1.00 0.00 H new HETATM 0 H2' DNR A 12 -0.039 -3.502 37.825 1.00 0.00 H new HETATM 0 H1' DNR A 12 1.544 -2.134 35.621 1.00 0.00 H new TER 381 DNR A 12 ATOM 382 P DC B 1 5.797 0.741 -0.572 1.00 0.00 P ATOM 383 OP1 DC B 1 6.729 1.855 -0.874 1.00 0.00 O ATOM 384 OP2 DC B 1 5.668 -0.332 -1.587 1.00 0.00 O ATOM 385 O5' DC B 1 4.336 1.375 -0.350 1.00 0.00 O ATOM 386 C5' DC B 1 3.704 2.132 -1.366 1.00 0.00 C ATOM 387 C4' DC B 1 2.254 2.522 -1.019 1.00 0.00 C ATOM 388 O4' DC B 1 1.451 1.355 -0.880 1.00 0.00 O ATOM 389 C3' DC B 1 2.095 3.370 0.261 1.00 0.00 C ATOM 390 O3' DC B 1 1.114 4.360 0.015 1.00 0.00 O ATOM 391 C2' DC B 1 1.583 2.330 1.247 1.00 0.00 C ATOM 392 C1' DC B 1 0.728 1.463 0.331 1.00 0.00 C ATOM 393 N1 DC B 1 0.490 0.104 0.861 1.00 0.00 N ATOM 394 C2 DC B 1 -0.824 -0.268 1.103 1.00 0.00 C ATOM 395 O2 DC B 1 -1.752 0.531 1.045 1.00 0.00 O ATOM 396 N3 DC B 1 -1.136 -1.544 1.378 1.00 0.00 N ATOM 397 C4 DC B 1 -0.173 -2.413 1.530 1.00 0.00 C ATOM 398 N4 DC B 1 -0.573 -3.639 1.527 1.00 0.00 N ATOM 399 C5 DC B 1 1.189 -2.119 1.269 1.00 0.00 C ATOM 400 C6 DC B 1 1.484 -0.843 0.929 1.00 0.00 C ATOM 0 H5' DC B 1 3.707 1.558 -2.293 1.00 0.00 H new ATOM 0 H5'' DC B 1 4.283 3.037 -1.549 1.00 0.00 H new ATOM 0 H4' DC B 1 1.929 3.144 -1.853 1.00 0.00 H new ATOM 0 H3' DC B 1 2.992 3.886 0.605 1.00 0.00 H new ATOM 0 H2' DC B 1 2.393 1.767 1.711 1.00 0.00 H new ATOM 0 H2'' DC B 1 1.002 2.777 2.054 1.00 0.00 H new ATOM 0 H1' DC B 1 -0.254 1.923 0.219 1.00 0.00 H new ATOM 0 H41 DC B 1 0.102 -4.396 1.639 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.564 -3.852 1.413 1.00 0.00 H new ATOM 0 H5 DC B 1 1.955 -2.877 1.338 1.00 0.00 H new ATOM 0 H6 DC B 1 2.505 -0.567 0.710 1.00 0.00 H new ATOM 412 P DC B 2 0.763 5.494 1.091 1.00 0.00 P ATOM 413 OP1 DC B 2 0.453 6.717 0.314 1.00 0.00 O ATOM 414 OP2 DC B 2 1.851 5.522 2.085 1.00 0.00 O ATOM 415 O5' DC B 2 -0.596 4.952 1.774 1.00 0.00 O ATOM 416 C5' DC B 2 -1.817 4.997 1.050 1.00 0.00 C ATOM 417 C4' DC B 2 -3.032 4.318 1.718 1.00 0.00 C ATOM 418 O4' DC B 2 -2.776 2.964 2.068 1.00 0.00 O ATOM 419 C3' DC B 2 -3.629 5.024 2.954 1.00 0.00 C ATOM 420 O3' DC B 2 -5.032 4.966 2.788 1.00 0.00 O ATOM 421 C2' DC B 2 -3.165 4.121 4.093 1.00 0.00 C ATOM 422 C1' DC B 2 -3.197 2.766 3.403 1.00 0.00 C ATOM 423 N1 DC B 2 -2.323 1.720 3.978 1.00 0.00 N ATOM 424 C2 DC B 2 -2.886 0.464 4.162 1.00 0.00 C ATOM 425 O2 DC B 2 -4.096 0.286 4.042 1.00 0.00 O ATOM 426 N3 DC B 2 -2.120 -0.613 4.403 1.00 0.00 N ATOM 427 C4 DC B 2 -0.825 -0.450 4.491 1.00 0.00 C ATOM 428 N4 DC B 2 -0.144 -1.544 4.548 1.00 0.00 N ATOM 429 C5 DC B 2 -0.169 0.773 4.220 1.00 0.00 C ATOM 430 C6 DC B 2 -0.955 1.847 3.977 1.00 0.00 C ATOM 0 H5' DC B 2 -1.656 4.531 0.078 1.00 0.00 H new ATOM 0 H5'' DC B 2 -2.067 6.042 0.865 1.00 0.00 H new ATOM 0 H4' DC B 2 -3.779 4.389 0.927 1.00 0.00 H new ATOM 0 H3' DC B 2 -3.342 6.063 3.118 1.00 0.00 H new ATOM 0 H2' DC B 2 -2.168 4.382 4.449 1.00 0.00 H new ATOM 0 H2'' DC B 2 -3.832 4.164 4.954 1.00 0.00 H new ATOM 0 H1' DC B 2 -4.218 2.402 3.517 1.00 0.00 H new ATOM 0 H41 DC B 2 0.873 -1.509 4.618 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.623 -2.444 4.523 1.00 0.00 H new ATOM 0 H5 DC B 2 0.908 0.846 4.208 1.00 0.00 H new ATOM 0 H6 DC B 2 -0.505 2.809 3.781 1.00 0.00 H new ATOM 442 P DT B 3 -6.058 5.699 3.768 1.00 0.00 P ATOM 443 OP1 DT B 3 -6.999 6.459 2.913 1.00 0.00 O ATOM 444 OP2 DT B 3 -5.291 6.395 4.817 1.00 0.00 O ATOM 445 O5' DT B 3 -6.825 4.434 4.391 1.00 0.00 O ATOM 446 C5' DT B 3 -7.587 3.570 3.557 1.00 0.00 C ATOM 447 C4' DT B 3 -8.077 2.304 4.283 1.00 0.00 C ATOM 448 O4' DT B 3 -6.991 1.644 4.912 1.00 0.00 O ATOM 449 C3' DT B 3 -9.187 2.559 5.324 1.00 0.00 C ATOM 450 O3' DT B 3 -10.236 1.636 5.098 1.00 0.00 O ATOM 451 C2' DT B 3 -8.443 2.329 6.625 1.00 0.00 C ATOM 452 C1' DT B 3 -7.447 1.269 6.188 1.00 0.00 C ATOM 453 N1 DT B 3 -6.243 1.155 7.040 1.00 0.00 N ATOM 454 C2 DT B 3 -5.700 -0.114 7.165 1.00 0.00 C ATOM 455 O2 DT B 3 -6.189 -1.129 6.682 1.00 0.00 O ATOM 456 N3 DT B 3 -4.484 -0.219 7.757 1.00 0.00 N ATOM 457 C4 DT B 3 -3.679 0.822 8.102 1.00 0.00 C ATOM 458 O4 DT B 3 -2.538 0.571 8.447 1.00 0.00 O ATOM 459 C5 DT B 3 -4.260 2.150 7.929 1.00 0.00 C ATOM 460 C7 DT B 3 -3.482 3.415 8.306 1.00 0.00 C ATOM 461 C6 DT B 3 -5.509 2.272 7.406 1.00 0.00 C ATOM 0 H5' DT B 3 -6.982 3.278 2.699 1.00 0.00 H new ATOM 0 H5'' DT B 3 -8.448 4.115 3.170 1.00 0.00 H new ATOM 0 H4' DT B 3 -8.515 1.677 3.506 1.00 0.00 H new ATOM 0 H3' DT B 3 -9.662 3.540 5.300 1.00 0.00 H new ATOM 0 H2' DT B 3 -7.954 3.233 6.989 1.00 0.00 H new ATOM 0 H2'' DT B 3 -9.099 1.979 7.422 1.00 0.00 H new ATOM 0 H1' DT B 3 -7.967 0.312 6.235 1.00 0.00 H new ATOM 0 H3 DT B 3 -4.144 -1.159 7.961 1.00 0.00 H new ATOM 0 H71 DT B 3 -3.793 4.239 7.663 1.00 0.00 H new ATOM 0 H72 DT B 3 -3.684 3.670 9.346 1.00 0.00 H new ATOM 0 H73 DT B 3 -2.414 3.238 8.177 1.00 0.00 H new ATOM 0 H6 DT B 3 -5.936 3.255 7.274 1.00 0.00 H new ATOM 474 P DA B 4 -11.537 1.558 6.027 1.00 0.00 P ATOM 475 OP1 DA B 4 -12.666 1.147 5.160 1.00 0.00 O ATOM 476 OP2 DA B 4 -11.642 2.817 6.794 1.00 0.00 O ATOM 477 O5' DA B 4 -11.148 0.338 7.004 1.00 0.00 O ATOM 478 C5' DA B 4 -10.976 -0.974 6.480 1.00 0.00 C ATOM 479 C4' DA B 4 -10.482 -2.025 7.498 1.00 0.00 C ATOM 480 O4' DA B 4 -9.158 -1.788 7.984 1.00 0.00 O ATOM 481 C3' DA B 4 -11.412 -2.235 8.712 1.00 0.00 C ATOM 482 O3' DA B 4 -11.991 -3.524 8.613 1.00 0.00 O ATOM 483 C2' DA B 4 -10.414 -2.071 9.868 1.00 0.00 C ATOM 484 C1' DA B 4 -9.057 -2.419 9.250 1.00 0.00 C ATOM 485 N9 DA B 4 -7.878 -1.856 9.956 1.00 0.00 N ATOM 486 C8 DA B 4 -7.730 -0.606 10.502 1.00 0.00 C ATOM 487 N7 DA B 4 -6.490 -0.242 10.697 1.00 0.00 N ATOM 488 C5 DA B 4 -5.765 -1.406 10.394 1.00 0.00 C ATOM 489 C6 DA B 4 -4.401 -1.809 10.438 1.00 0.00 C ATOM 490 N6 DA B 4 -3.347 -1.046 10.626 1.00 0.00 N ATOM 491 N1 DA B 4 -4.045 -3.068 10.251 1.00 0.00 N ATOM 492 C2 DA B 4 -4.996 -3.945 9.997 1.00 0.00 C ATOM 493 N3 DA B 4 -6.287 -3.711 9.792 1.00 0.00 N ATOM 494 C4 DA B 4 -6.620 -2.413 10.022 1.00 0.00 C ATOM 0 H5' DA B 4 -10.266 -0.929 5.654 1.00 0.00 H new ATOM 0 H5'' DA B 4 -11.926 -1.311 6.065 1.00 0.00 H new ATOM 0 H4' DA B 4 -10.486 -2.936 6.899 1.00 0.00 H new ATOM 0 H3' DA B 4 -12.263 -1.562 8.817 1.00 0.00 H new ATOM 0 H2' DA B 4 -10.423 -1.054 10.260 1.00 0.00 H new ATOM 0 H2'' DA B 4 -10.655 -2.735 10.698 1.00 0.00 H new ATOM 0 H1' DA B 4 -8.889 -3.496 9.264 1.00 0.00 H new ATOM 0 H8 DA B 4 -8.570 0.026 10.750 1.00 0.00 H new ATOM 0 H61 DA B 4 -2.414 -1.458 10.637 1.00 0.00 H new ATOM 0 H62 DA B 4 -3.462 -0.042 10.761 1.00 0.00 H new ATOM 0 H2 DA B 4 -4.688 -4.979 9.950 1.00 0.00 H new ATOM 506 P DT B 5 -13.028 -4.097 9.691 1.00 0.00 P ATOM 507 OP1 DT B 5 -13.698 -5.275 9.088 1.00 0.00 O ATOM 508 OP2 DT B 5 -13.861 -2.983 10.192 1.00 0.00 O ATOM 509 O5' DT B 5 -12.033 -4.604 10.847 1.00 0.00 O ATOM 510 C5' DT B 5 -11.094 -5.638 10.584 1.00 0.00 C ATOM 511 C4' DT B 5 -9.940 -5.752 11.604 1.00 0.00 C ATOM 512 O4' DT B 5 -8.952 -4.731 11.531 1.00 0.00 O ATOM 513 C3' DT B 5 -10.350 -5.882 13.086 1.00 0.00 C ATOM 514 O3' DT B 5 -10.261 -7.259 13.398 1.00 0.00 O ATOM 515 C2' DT B 5 -9.308 -4.988 13.788 1.00 0.00 C ATOM 516 C1' DT B 5 -8.197 -4.815 12.730 1.00 0.00 C ATOM 517 N1 DT B 5 -7.475 -3.537 12.905 1.00 0.00 N ATOM 518 C2 DT B 5 -6.103 -3.493 13.161 1.00 0.00 C ATOM 519 O2 DT B 5 -5.319 -4.426 13.093 1.00 0.00 O ATOM 520 N3 DT B 5 -5.575 -2.272 13.457 1.00 0.00 N ATOM 521 C4 DT B 5 -6.299 -1.157 13.793 1.00 0.00 C ATOM 522 O4 DT B 5 -5.690 -0.158 14.138 1.00 0.00 O ATOM 523 C5 DT B 5 -7.750 -1.285 13.592 1.00 0.00 C ATOM 524 C7 DT B 5 -8.808 -0.388 14.229 1.00 0.00 C ATOM 525 C6 DT B 5 -8.248 -2.426 13.076 1.00 0.00 C ATOM 0 H5' DT B 5 -10.668 -5.477 9.594 1.00 0.00 H new ATOM 0 H5'' DT B 5 -11.625 -6.590 10.552 1.00 0.00 H new ATOM 0 H4' DT B 5 -9.514 -6.698 11.271 1.00 0.00 H new ATOM 0 H3' DT B 5 -11.355 -5.572 13.371 1.00 0.00 H new ATOM 0 H2' DT B 5 -9.736 -4.029 14.079 1.00 0.00 H new ATOM 0 H2'' DT B 5 -8.926 -5.456 14.696 1.00 0.00 H new ATOM 0 H1' DT B 5 -7.451 -5.609 12.770 1.00 0.00 H new ATOM 0 H3 DT B 5 -4.560 -2.180 13.426 1.00 0.00 H new ATOM 0 H71 DT B 5 -9.672 -0.319 13.568 1.00 0.00 H new ATOM 0 H72 DT B 5 -9.115 -0.811 15.185 1.00 0.00 H new ATOM 0 H73 DT B 5 -8.393 0.607 14.389 1.00 0.00 H new ATOM 0 H6 DT B 5 -9.289 -2.462 12.790 1.00 0.00 H new ATOM 538 P DG B 6 -10.524 -7.856 14.853 1.00 0.00 P ATOM 539 OP1 DG B 6 -11.054 -9.230 14.673 1.00 0.00 O ATOM 540 OP2 DG B 6 -11.301 -6.880 15.643 1.00 0.00 O ATOM 541 O5' DG B 6 -9.028 -7.966 15.429 1.00 0.00 O ATOM 542 C5' DG B 6 -8.056 -8.736 14.733 1.00 0.00 C ATOM 543 C4' DG B 6 -6.668 -8.744 15.395 1.00 0.00 C ATOM 544 O4' DG B 6 -6.111 -7.441 15.390 1.00 0.00 O ATOM 545 C3' DG B 6 -6.662 -9.273 16.841 1.00 0.00 C ATOM 546 O3' DG B 6 -5.719 -10.322 16.945 1.00 0.00 O ATOM 547 C2' DG B 6 -6.351 -8.037 17.676 1.00 0.00 C ATOM 548 C1' DG B 6 -5.638 -7.134 16.683 1.00 0.00 C ATOM 549 N9 DG B 6 -5.919 -5.704 16.894 1.00 0.00 N ATOM 550 C8 DG B 6 -7.135 -5.070 16.897 1.00 0.00 C ATOM 551 N7 DG B 6 -7.066 -3.766 16.914 1.00 0.00 N ATOM 552 C5 DG B 6 -5.684 -3.519 16.946 1.00 0.00 C ATOM 553 C6 DG B 6 -4.907 -2.311 17.018 1.00 0.00 C ATOM 554 O6 DG B 6 -5.286 -1.151 17.066 1.00 0.00 O ATOM 555 N1 DG B 6 -3.549 -2.507 17.069 1.00 0.00 N ATOM 556 C2 DG B 6 -2.991 -3.724 16.983 1.00 0.00 C ATOM 557 N2 DG B 6 -1.722 -3.831 17.188 1.00 0.00 N ATOM 558 N3 DG B 6 -3.640 -4.866 16.943 1.00 0.00 N ATOM 559 C4 DG B 6 -4.989 -4.704 16.922 1.00 0.00 C ATOM 0 H5' DG B 6 -7.960 -8.349 13.719 1.00 0.00 H new ATOM 0 H5'' DG B 6 -8.413 -9.763 14.650 1.00 0.00 H new ATOM 0 H4' DG B 6 -6.070 -9.432 14.797 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.596 -9.718 17.183 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.257 -7.574 18.067 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.720 -8.275 18.532 1.00 0.00 H new ATOM 0 H1' DG B 6 -4.569 -7.305 16.812 1.00 0.00 H new ATOM 0 H8 DG B 6 -8.073 -5.605 16.886 1.00 0.00 H new ATOM 0 H1 DG B 6 -2.941 -1.695 17.176 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.271 -4.744 17.129 1.00 0.00 H new ATOM 0 H22 DG B 6 -1.170 -3.003 17.409 1.00 0.00 H new ATOM 571 P DA B 7 -5.541 -11.192 18.276 1.00 0.00 P ATOM 572 OP1 DA B 7 -4.937 -12.491 17.887 1.00 0.00 O ATOM 573 OP2 DA B 7 -6.809 -11.196 19.036 1.00 0.00 O ATOM 574 O5' DA B 7 -4.439 -10.334 19.064 1.00 0.00 O ATOM 575 C5' DA B 7 -3.153 -10.142 18.496 1.00 0.00 C ATOM 576 C4' DA B 7 -2.262 -9.157 19.274 1.00 0.00 C ATOM 577 O4' DA B 7 -2.704 -7.797 19.182 1.00 0.00 O ATOM 578 C3' DA B 7 -2.118 -9.508 20.766 1.00 0.00 C ATOM 579 O3' DA B 7 -0.756 -9.825 21.031 1.00 0.00 O ATOM 580 C2' DA B 7 -2.590 -8.224 21.447 1.00 0.00 C ATOM 581 C1' DA B 7 -2.423 -7.123 20.400 1.00 0.00 C ATOM 582 N9 DA B 7 -3.305 -5.923 20.516 1.00 0.00 N ATOM 583 C8 DA B 7 -4.677 -5.889 20.521 1.00 0.00 C ATOM 584 N7 DA B 7 -5.198 -4.690 20.434 1.00 0.00 N ATOM 585 C5 DA B 7 -4.074 -3.845 20.353 1.00 0.00 C ATOM 586 C6 DA B 7 -3.841 -2.443 20.200 1.00 0.00 C ATOM 587 N6 DA B 7 -4.756 -1.499 20.074 1.00 0.00 N ATOM 588 N1 DA B 7 -2.611 -1.936 20.129 1.00 0.00 N ATOM 589 C2 DA B 7 -1.602 -2.784 20.246 1.00 0.00 C ATOM 590 N3 DA B 7 -1.653 -4.107 20.378 1.00 0.00 N ATOM 591 C4 DA B 7 -2.924 -4.593 20.416 1.00 0.00 C ATOM 0 H5' DA B 7 -3.269 -9.781 17.474 1.00 0.00 H new ATOM 0 H5'' DA B 7 -2.646 -11.105 18.438 1.00 0.00 H new ATOM 0 H4' DA B 7 -1.292 -9.256 18.786 1.00 0.00 H new ATOM 0 H3' DA B 7 -2.685 -10.373 21.111 1.00 0.00 H new ATOM 0 H2' DA B 7 -3.629 -8.308 21.766 1.00 0.00 H new ATOM 0 H2'' DA B 7 -1.999 -8.012 22.338 1.00 0.00 H new ATOM 0 H1' DA B 7 -1.429 -6.689 20.505 1.00 0.00 H new ATOM 0 H8 DA B 7 -5.281 -6.782 20.591 1.00 0.00 H new ATOM 0 H61 DA B 7 -4.473 -0.525 19.970 1.00 0.00 H new ATOM 0 H62 DA B 7 -5.746 -1.744 20.080 1.00 0.00 H new ATOM 0 H2 DA B 7 -0.614 -2.348 20.233 1.00 0.00 H new ATOM 603 P DA B 8 -0.232 -10.418 22.434 1.00 0.00 P ATOM 604 OP1 DA B 8 0.711 -11.524 22.139 1.00 0.00 O ATOM 605 OP2 DA B 8 -1.380 -10.680 23.328 1.00 0.00 O ATOM 606 O5' DA B 8 0.625 -9.199 23.042 1.00 0.00 O ATOM 607 C5' DA B 8 1.783 -8.718 22.371 1.00 0.00 C ATOM 608 C4' DA B 8 2.286 -7.365 22.918 1.00 0.00 C ATOM 609 O4' DA B 8 1.251 -6.388 22.839 1.00 0.00 O ATOM 610 C3' DA B 8 2.797 -7.411 24.374 1.00 0.00 C ATOM 611 O3' DA B 8 4.056 -6.758 24.477 1.00 0.00 O ATOM 612 C2' DA B 8 1.683 -6.662 25.093 1.00 0.00 C ATOM 613 C1' DA B 8 1.247 -5.648 24.039 1.00 0.00 C ATOM 614 N9 DA B 8 -0.105 -5.061 24.223 1.00 0.00 N ATOM 615 C8 DA B 8 -1.254 -5.640 24.713 1.00 0.00 C ATOM 616 N7 DA B 8 -2.351 -4.979 24.447 1.00 0.00 N ATOM 617 C5 DA B 8 -1.871 -3.814 23.821 1.00 0.00 C ATOM 618 C6 DA B 8 -2.440 -2.583 23.407 1.00 0.00 C ATOM 619 N6 DA B 8 -3.729 -2.329 23.354 1.00 0.00 N ATOM 620 N1 DA B 8 -1.694 -1.516 23.130 1.00 0.00 N ATOM 621 C2 DA B 8 -0.377 -1.669 23.175 1.00 0.00 C ATOM 622 N3 DA B 8 0.303 -2.773 23.467 1.00 0.00 N ATOM 623 C4 DA B 8 -0.503 -3.822 23.779 1.00 0.00 C ATOM 0 H5' DA B 8 1.562 -8.613 21.309 1.00 0.00 H new ATOM 0 H5'' DA B 8 2.579 -9.457 22.460 1.00 0.00 H new ATOM 0 H4' DA B 8 3.137 -7.104 22.289 1.00 0.00 H new ATOM 0 H3' DA B 8 2.977 -8.407 24.779 1.00 0.00 H new ATOM 0 H2' DA B 8 0.868 -7.325 25.383 1.00 0.00 H new ATOM 0 H2'' DA B 8 2.039 -6.177 26.002 1.00 0.00 H new ATOM 0 H1' DA B 8 1.918 -4.790 24.079 1.00 0.00 H new ATOM 0 H8 DA B 8 -1.250 -6.564 25.271 1.00 0.00 H new ATOM 0 H61 DA B 8 -4.056 -1.414 23.044 1.00 0.00 H new ATOM 0 H62 DA B 8 -4.402 -3.047 23.623 1.00 0.00 H new ATOM 0 H2 DA B 8 0.212 -0.793 22.947 1.00 0.00 H new ATOM 635 P DA B 9 4.980 -6.834 25.792 1.00 0.00 P ATOM 636 OP1 DA B 9 6.360 -7.187 25.376 1.00 0.00 O ATOM 637 OP2 DA B 9 4.320 -7.664 26.821 1.00 0.00 O ATOM 638 O5' DA B 9 5.011 -5.316 26.319 1.00 0.00 O ATOM 639 C5' DA B 9 5.672 -4.299 25.575 1.00 0.00 C ATOM 640 C4' DA B 9 5.421 -2.876 26.120 1.00 0.00 C ATOM 641 O4' DA B 9 4.031 -2.596 26.013 1.00 0.00 O ATOM 642 C3' DA B 9 5.850 -2.656 27.588 1.00 0.00 C ATOM 643 O3' DA B 9 6.331 -1.333 27.781 1.00 0.00 O ATOM 644 C2' DA B 9 4.525 -2.908 28.291 1.00 0.00 C ATOM 645 C1' DA B 9 3.517 -2.314 27.294 1.00 0.00 C ATOM 646 N9 DA B 9 2.105 -2.771 27.325 1.00 0.00 N ATOM 647 C8 DA B 9 1.545 -4.017 27.521 1.00 0.00 C ATOM 648 N7 DA B 9 0.262 -4.078 27.284 1.00 0.00 N ATOM 649 C5 DA B 9 -0.052 -2.766 26.897 1.00 0.00 C ATOM 650 C6 DA B 9 -1.227 -2.062 26.546 1.00 0.00 C ATOM 651 N6 DA B 9 -2.408 -2.617 26.442 1.00 0.00 N ATOM 652 N1 DA B 9 -1.226 -0.757 26.272 1.00 0.00 N ATOM 653 C2 DA B 9 -0.058 -0.130 26.325 1.00 0.00 C ATOM 654 N3 DA B 9 1.116 -0.645 26.664 1.00 0.00 N ATOM 655 C4 DA B 9 1.060 -1.977 26.921 1.00 0.00 C ATOM 0 H5' DA B 9 5.341 -4.346 24.537 1.00 0.00 H new ATOM 0 H5'' DA B 9 6.744 -4.497 25.577 1.00 0.00 H new ATOM 0 H4' DA B 9 6.038 -2.207 25.520 1.00 0.00 H new ATOM 0 H3' DA B 9 6.667 -3.284 27.943 1.00 0.00 H new ATOM 0 H2' DA B 9 4.350 -3.970 28.464 1.00 0.00 H new ATOM 0 H2'' DA B 9 4.478 -2.415 29.262 1.00 0.00 H new ATOM 0 H1' DA B 9 3.436 -1.264 27.575 1.00 0.00 H new ATOM 0 H8 DA B 9 2.121 -4.872 27.844 1.00 0.00 H new ATOM 0 H61 DA B 9 -3.217 -2.051 26.184 1.00 0.00 H new ATOM 0 H62 DA B 9 -2.520 -3.615 26.619 1.00 0.00 H new ATOM 0 H2 DA B 9 -0.064 0.918 26.063 1.00 0.00 H new ATOM 667 P DT B 10 6.785 -0.762 29.215 1.00 0.00 P ATOM 668 OP1 DT B 10 7.933 0.154 29.012 1.00 0.00 O ATOM 669 OP2 DT B 10 6.946 -1.887 30.164 1.00 0.00 O ATOM 670 O5' DT B 10 5.525 0.126 29.686 1.00 0.00 O ATOM 671 C5' DT B 10 5.157 1.294 28.959 1.00 0.00 C ATOM 672 C4' DT B 10 3.798 1.888 29.380 1.00 0.00 C ATOM 673 O4' DT B 10 2.773 0.935 29.135 1.00 0.00 O ATOM 674 C3' DT B 10 3.693 2.349 30.855 1.00 0.00 C ATOM 675 O3' DT B 10 3.199 3.682 30.935 1.00 0.00 O ATOM 676 C2' DT B 10 2.668 1.356 31.385 1.00 0.00 C ATOM 677 C1' DT B 10 1.819 1.061 30.150 1.00 0.00 C ATOM 678 N1 DT B 10 1.055 -0.209 30.212 1.00 0.00 N ATOM 679 C2 DT B 10 -0.230 -0.177 29.691 1.00 0.00 C ATOM 680 O2 DT B 10 -0.832 0.840 29.386 1.00 0.00 O ATOM 681 N3 DT B 10 -0.888 -1.356 29.614 1.00 0.00 N ATOM 682 C4 DT B 10 -0.444 -2.565 30.048 1.00 0.00 C ATOM 683 O4 DT B 10 -1.235 -3.493 30.071 1.00 0.00 O ATOM 684 C5 DT B 10 0.955 -2.585 30.484 1.00 0.00 C ATOM 685 C7 DT B 10 1.673 -3.906 30.792 1.00 0.00 C ATOM 686 C6 DT B 10 1.644 -1.413 30.560 1.00 0.00 C ATOM 0 H5' DT B 10 5.124 1.054 27.896 1.00 0.00 H new ATOM 0 H5'' DT B 10 5.930 2.051 29.091 1.00 0.00 H new ATOM 0 H4' DT B 10 3.688 2.790 28.777 1.00 0.00 H new ATOM 0 H3' DT B 10 4.638 2.363 31.398 1.00 0.00 H new ATOM 0 H2' DT B 10 3.141 0.455 31.776 1.00 0.00 H new ATOM 0 H2'' DT B 10 2.073 1.780 32.194 1.00 0.00 H new ATOM 0 H1' DT B 10 1.070 1.842 30.021 1.00 0.00 H new ATOM 0 H3 DT B 10 -1.814 -1.336 29.186 1.00 0.00 H new ATOM 0 H71 DT B 10 2.736 -3.801 30.577 1.00 0.00 H new ATOM 0 H72 DT B 10 1.539 -4.156 31.844 1.00 0.00 H new ATOM 0 H73 DT B 10 1.254 -4.700 30.174 1.00 0.00 H new ATOM 0 H6 DT B 10 2.670 -1.423 30.898 1.00 0.00 H new ATOM 699 P DC B 11 3.002 4.480 32.319 1.00 0.00 P ATOM 700 OP1 DC B 11 3.731 5.765 32.254 1.00 0.00 O ATOM 701 OP2 DC B 11 3.256 3.584 33.471 1.00 0.00 O ATOM 702 O5' DC B 11 1.430 4.813 32.357 1.00 0.00 O ATOM 703 C5' DC B 11 0.823 5.636 31.369 1.00 0.00 C ATOM 704 C4' DC B 11 -0.717 5.632 31.466 1.00 0.00 C ATOM 705 O4' DC B 11 -1.169 4.310 31.221 1.00 0.00 O ATOM 706 C3' DC B 11 -1.266 6.115 32.825 1.00 0.00 C ATOM 707 O3' DC B 11 -2.358 7.011 32.683 1.00 0.00 O ATOM 708 C2' DC B 11 -1.767 4.820 33.461 1.00 0.00 C ATOM 709 C1' DC B 11 -1.987 3.885 32.273 1.00 0.00 C ATOM 710 N1 DC B 11 -1.599 2.488 32.571 1.00 0.00 N ATOM 711 C2 DC B 11 -2.510 1.499 32.268 1.00 0.00 C ATOM 712 O2 DC B 11 -3.688 1.762 32.056 1.00 0.00 O ATOM 713 N3 DC B 11 -2.174 0.205 32.373 1.00 0.00 N ATOM 714 C4 DC B 11 -0.981 -0.117 32.779 1.00 0.00 C ATOM 715 N4 DC B 11 -0.793 -1.382 32.939 1.00 0.00 N ATOM 716 C5 DC B 11 -0.040 0.831 33.229 1.00 0.00 C ATOM 717 C6 DC B 11 -0.367 2.136 33.067 1.00 0.00 C ATOM 0 H5' DC B 11 1.123 5.292 30.379 1.00 0.00 H new ATOM 0 H5'' DC B 11 1.189 6.657 31.476 1.00 0.00 H new ATOM 0 H4' DC B 11 -1.089 6.340 30.725 1.00 0.00 H new ATOM 0 H3' DC B 11 -0.512 6.654 33.399 1.00 0.00 H new ATOM 0 H2' DC B 11 -1.038 4.411 34.161 1.00 0.00 H new ATOM 0 H2'' DC B 11 -2.690 4.980 34.019 1.00 0.00 H new ATOM 0 H1' DC B 11 -3.049 3.915 32.030 1.00 0.00 H new ATOM 0 H41 DC B 11 0.113 -1.727 33.255 1.00 0.00 H new ATOM 0 H42 DC B 11 -1.551 -2.038 32.749 1.00 0.00 H new ATOM 0 H5 DC B 11 0.895 0.532 33.680 1.00 0.00 H new ATOM 0 H6 DC B 11 0.345 2.904 33.329 1.00 0.00 H new ATOM 729 P DC B 12 -2.598 8.202 33.732 1.00 0.00 P ATOM 730 OP1 DC B 12 -3.816 8.963 33.382 1.00 0.00 O ATOM 731 OP2 DC B 12 -1.331 8.927 33.962 1.00 0.00 O ATOM 732 O5' DC B 12 -2.915 7.445 35.102 1.00 0.00 O ATOM 733 C5' DC B 12 -4.207 6.963 35.409 1.00 0.00 C ATOM 734 C4' DC B 12 -4.184 6.316 36.806 1.00 0.00 C ATOM 735 O4' DC B 12 -3.280 5.214 36.810 1.00 0.00 O ATOM 736 C3' DC B 12 -3.705 7.312 37.881 1.00 0.00 C ATOM 737 O3' DC B 12 -4.272 7.048 39.157 1.00 0.00 O ATOM 738 C2' DC B 12 -2.216 7.021 37.970 1.00 0.00 C ATOM 739 C1' DC B 12 -2.230 5.520 37.703 1.00 0.00 C ATOM 740 N1 DC B 12 -0.967 4.950 37.189 1.00 0.00 N ATOM 741 C2 DC B 12 -0.769 3.613 37.469 1.00 0.00 C ATOM 742 O2 DC B 12 -1.628 2.948 38.039 1.00 0.00 O ATOM 743 N3 DC B 12 0.342 2.979 37.065 1.00 0.00 N ATOM 744 C4 DC B 12 1.187 3.611 36.293 1.00 0.00 C ATOM 745 N4 DC B 12 2.098 2.837 35.817 1.00 0.00 N ATOM 746 C5 DC B 12 0.969 4.932 35.836 1.00 0.00 C ATOM 747 C6 DC B 12 -0.134 5.576 36.291 1.00 0.00 C ATOM 0 H5' DC B 12 -4.524 6.235 34.662 1.00 0.00 H new ATOM 0 H5'' DC B 12 -4.929 7.779 35.384 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.201 5.996 37.033 1.00 0.00 H new ATOM 0 H3' DC B 12 -3.975 8.336 37.622 1.00 0.00 H new ATOM 0 H2' DC B 12 -1.638 7.572 37.228 1.00 0.00 H new ATOM 0 H2'' DC B 12 -1.800 7.268 38.947 1.00 0.00 H new ATOM 0 HO3' DC B 12 -3.938 7.703 39.805 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.376 5.057 38.679 1.00 0.00 H new ATOM 0 H41 DC B 12 2.817 3.215 35.200 1.00 0.00 H new ATOM 0 H42 DC B 12 2.101 1.846 36.057 1.00 0.00 H new ATOM 0 H5 DC B 12 1.655 5.409 35.151 1.00 0.00 H new ATOM 0 H6 DC B 12 -0.358 6.576 35.950 1.00 0.00 H new TER 759 DC B 12 CONECT 1 2 3 4 CONECT 2 1 CONECT 3 1 CONECT 4 1 5 CONECT 5 4 6 20 21 CONECT 6 5 7 18 22 CONECT 7 6 8 CONECT 8 7 9 17 23 CONECT 9 8 10 11 CONECT 10 9 16 24 CONECT 11 9 12 13 CONECT 12 11 CONECT 13 11 14 25 CONECT 14 13 15 16 CONECT 15 14 26 27 CONECT 16 10 14 28 CONECT 17 8 18 29 30 CONECT 18 6 17 19 31 CONECT 19 18 32 CONECT 20 5 CONECT 21 5 CONECT 22 6 CONECT 23 8 CONECT 24 10 CONECT 25 13 CONECT 26 15 CONECT 27 15 CONECT 28 16 CONECT 29 17 CONECT 30 17 CONECT 31 18 CONECT 32 19 33 34 35 CONECT 33 32 CONECT 34 32 CONECT 35 32 36 CONECT 36 35 37 51 52 CONECT 37 36 38 49 53 CONECT 38 37 39 CONECT 39 38 40 48 54 CONECT 40 39 41 42 CONECT 41 40 47 55 CONECT 42 40 43 44 CONECT 43 42 CONECT 44 42 45 56 CONECT 45 44 46 47 CONECT 46 45 57 58 CONECT 47 41 45 59 CONECT 48 39 49 60 61 CONECT 49 37 48 50 62 CONECT 50 49 63 CONECT 51 36 CONECT 52 36 CONECT 53 37 CONECT 54 39 CONECT 55 41 CONECT 56 44 CONECT 57 46 CONECT 58 46 CONECT 59 47 CONECT 60 48 CONECT 61 48 CONECT 62 49 CONECT 63 50 CONECT 295 319 CONECT 319 295 320 321 322 CONECT 320 319 CONECT 321 319 CONECT 322 319 323 CONECT 323 322 324 338 339 CONECT 324 323 325 336 340 CONECT 325 324 326 CONECT 326 325 327 335 341 CONECT 327 326 328 329 CONECT 328 327 334 342 CONECT 329 327 330 331 CONECT 330 329 CONECT 331 329 332 343 CONECT 332 331 333 334 CONECT 333 332 344 345 CONECT 334 328 332 346 CONECT 335 326 336 347 348 CONECT 336 324 335 337 349 CONECT 337 336 350 CONECT 338 323 CONECT 339 323 CONECT 340 324 CONECT 341 326 CONECT 342 328 CONECT 343 331 CONECT 344 333 CONECT 345 333 CONECT 346 334 CONECT 347 335 CONECT 348 335 CONECT 349 336 CONECT 350 337 351 352 353 CONECT 351 350 CONECT 352 350 CONECT 353 350 354 CONECT 354 353 355 369 370 CONECT 355 354 356 367 371 CONECT 356 355 357 CONECT 357 356 358 366 372 CONECT 358 357 359 360 CONECT 359 358 365 373 CONECT 360 358 361 362 CONECT 361 360 CONECT 362 360 363 374 CONECT 363 362 364 365 CONECT 364 363 375 376 CONECT 365 359 363 377 CONECT 366 357 367 378 379 CONECT 367 355 366 368 380 CONECT 368 367 CONECT 369 354 CONECT 370 354 CONECT 371 355 CONECT 372 357 CONECT 373 359 CONECT 374 362 CONECT 375 364 CONECT 376 364 CONECT 377 365 CONECT 378 366 CONECT 379 366 CONECT 380 367 END