HEADER DNA 01-AUG-90 1D18 TITLE SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA OCTAMERS TITLE 2 USING NUCLEAR MAGNETIC RESONANCE, RESTRAINED MOLECULAR TITLE 3 DYNAMICS AND NOE-BASED REFINEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA, NMR, DOUBLE HELIX EXPDTA SOLUTION NMR AUTHOR J.D.BALEJA,B.D.SYKES REVDAT 5 24-FEB-09 1D18 1 VERSN REVDAT 4 01-APR-03 1D18 1 JRNL REVDAT 3 15-OCT-94 1D18 1 COMPND EXPDTA REVDAT 2 15-JAN-93 1D18 1 HEADER REVDAT 1 15-JUL-91 1D18 0 JRNL AUTH J.D.BALEJA,M.W.GERMANN,J.H.VAN DE SANDE,B.D.SYKES JRNL TITL SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA JRNL TITL 2 OCTAMERS USING NUCLEAR MAGNETIC RESONANCE, JRNL TITL 3 RESTRAINED MOLECULAR DYNAMICS AND NOE-BASED JRNL TITL 4 REFINEMENT. JRNL REF J.MOL.BIOL. V. 215 411 1990 JRNL REFN ISSN 0022-2836 JRNL PMID 2231713 JRNL DOI 10.1016/S0022-2836(05)80361-4 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.D.BALEJA,J.MOULT,B.D.SYKES REMARK 1 TITL DISTANCE MEASUREMENT AND STRUCTURE REFINEMENT WITH REMARK 1 TITL 2 NOE DATA REMARK 1 REF J.MAGN.RESON. V. 87 375 1990 REMARK 1 REFN ISSN 0022-2364 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMOS REMARK 3 AUTHORS : DE VLIEG ET AL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS REFINED AGAINST REMARK 3 PRIMARY NOE DATA. THE R VALUE IS 0.23 OVER ALL OBSERVED, REMARK 3 QUANTIFIED, NOE CROSSPEAK INTENSITIES. THE NOE-BASED PROCEDURE REMARK 3 USED TO REFINE THESE STRUCTURES INCLUDED CORRELATION TIME REMARK 3 ADJUSTMENT FACTORS, WHICH ARE APPROXIMATELY RELATED TO THE REMARK 3 INVERSE OF THE TEMPERATURE FACTORS ASSOCIATED WITH X-RAY REMARK 3 CRYSTALLOGRAPHY. THESE VALUES ARE INCLUDED IN THE COLUMN REMARK 3 NORMALLY USED FOR TEMPERATURE FACTORS. VALUES OF 0.0 APPEAR REMARK 3 FOR NON-HYDROGEN ATOMS, WHICH WERE NOT USED IN THE NMR REMARK 3 CALCULATIONS. FURTHER DETAILS ARE GIVEN IN REFERENCE 1. REMARK 4 REMARK 4 1D18 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : ENERGY MINIMIZATION, REMARK 210 MOLECULAR DYNAMICS 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 DC A 1 N1 DC A 1 C6 0.040 REMARK 500 DA A 2 C5 DA A 2 N7 -0.069 REMARK 500 DA A 2 N9 DA A 2 C4 -0.042 REMARK 500 DT A 3 C5 DT A 3 C6 0.043 REMARK 500 DG A 4 C5 DG A 4 N7 -0.062 REMARK 500 DC A 5 N1 DC A 5 C6 0.038 REMARK 500 DA A 6 C5 DA A 6 N7 -0.063 REMARK 500 DA A 6 N9 DA A 6 C4 -0.048 REMARK 500 DT A 7 C4 DT A 7 C5 -0.057 REMARK 500 DT A 7 C5 DT A 7 C6 0.052 REMARK 500 DG A 8 C5 DG A 8 N7 -0.066 REMARK 500 DG A 8 N9 DG A 8 C4 -0.054 REMARK 500 DC B 9 N1 DC B 9 C6 0.039 REMARK 500 DA B 10 C5 DA B 10 N7 -0.062 REMARK 500 DA B 10 N9 DA B 10 C4 -0.051 REMARK 500 DT B 11 C5 DT B 11 C6 0.047 REMARK 500 DT B 11 C5 DT B 11 C7 0.036 REMARK 500 DG B 12 C5 DG B 12 N7 -0.063 REMARK 500 DG B 12 C8 DG B 12 N9 -0.045 REMARK 500 DA B 14 C5 DA B 14 N7 -0.059 REMARK 500 DA B 14 N9 DA B 14 C4 -0.044 REMARK 500 DT B 15 C4 DT B 15 C5 -0.060 REMARK 500 DT B 15 C5 DT B 15 C6 0.053 REMARK 500 DG B 16 C5 DG B 16 N7 -0.056 REMARK 500 DG B 16 N9 DG B 16 C4 -0.053 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 2 N1 - C2 - N3 ANGL. DEV. = -7.0 DEGREES REMARK 500 DA A 2 C2 - N3 - C4 ANGL. DEV. = 8.8 DEGREES REMARK 500 DA A 2 N3 - C4 - C5 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 2 C5 - N7 - C8 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 2 N7 - C8 - N9 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA A 2 N3 - C4 - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 DT A 3 N1 - C2 - N3 ANGL. DEV. = 5.1 DEGREES REMARK 500 DT A 3 C2 - N3 - C4 ANGL. DEV. = -5.8 DEGREES REMARK 500 DT A 3 N3 - C4 - C5 ANGL. DEV. = 4.1 DEGREES REMARK 500 DT A 3 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -4.6 DEGREES REMARK 500 DG A 4 C6 - N1 - C2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DG A 4 N1 - C2 - N3 ANGL. DEV. = -4.0 DEGREES REMARK 500 DG A 4 C2 - N3 - C4 ANGL. DEV. = 9.0 DEGREES REMARK 500 DG A 4 N3 - C4 - C5 ANGL. DEV. = -7.2 DEGREES REMARK 500 DG A 4 C5 - C6 - N1 ANGL. DEV. = 6.5 DEGREES REMARK 500 DG A 4 C4 - C5 - N7 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 4 N3 - C4 - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 DG A 4 C5 - C6 - O6 ANGL. DEV. = -8.2 DEGREES REMARK 500 DC A 5 C2 - N3 - C4 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA A 6 N1 - C2 - N3 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 6 C2 - N3 - C4 ANGL. DEV. = 9.3 DEGREES REMARK 500 DA A 6 N3 - C4 - C5 ANGL. DEV. = -7.6 DEGREES REMARK 500 DA A 6 C4 - C5 - N7 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA A 6 C5 - N7 - C8 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 6 N3 - C4 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT A 7 C1' - O4' - C4' ANGL. DEV. = -6.7 DEGREES REMARK 500 DT A 7 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES REMARK 500 DT A 7 C2 - N3 - C4 ANGL. DEV. = -6.0 DEGREES REMARK 500 DT A 7 N3 - C4 - C5 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT A 7 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 8 C6 - N1 - C2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 8 N1 - C2 - N3 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG A 8 C2 - N3 - C4 ANGL. DEV. = 9.1 DEGREES REMARK 500 DG A 8 N3 - C4 - C5 ANGL. DEV. = -7.0 DEGREES REMARK 500 DG A 8 C5 - C6 - N1 ANGL. DEV. = 6.7 DEGREES REMARK 500 DG A 8 C4 - C5 - N7 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = -3.6 DEGREES REMARK 500 DG A 8 N3 - C4 - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 DG A 8 C5 - C6 - O6 ANGL. DEV. = -8.1 DEGREES REMARK 500 DA B 10 N1 - C2 - N3 ANGL. DEV. = -6.9 DEGREES REMARK 500 DA B 10 C2 - N3 - C4 ANGL. DEV. = 9.3 DEGREES REMARK 500 DA B 10 N3 - C4 - C5 ANGL. DEV. = -7.3 DEGREES REMARK 500 DA B 10 N7 - C8 - N9 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA B 10 N3 - C4 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT B 11 N1 - C2 - N3 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 11 C2 - N3 - C4 ANGL. DEV. = -5.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 83 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 1 0.07 SIDE_CHAIN REMARK 500 DA A 2 0.08 SIDE_CHAIN REMARK 500 DC A 5 0.10 SIDE_CHAIN REMARK 500 DA A 6 0.14 SIDE_CHAIN REMARK 500 DC B 9 0.09 SIDE_CHAIN REMARK 500 DA B 10 0.06 SIDE_CHAIN REMARK 500 DG B 12 0.07 SIDE_CHAIN REMARK 500 DC B 13 0.09 SIDE_CHAIN REMARK 500 DA B 14 0.12 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D19 RELATED DB: PDB DBREF 1D18 A 1 8 PDB 1D18 1D18 1 8 DBREF 1D18 B 9 16 PDB 1D18 1D18 9 16 SEQRES 1 A 8 DC DA DT DG DC DA DT DG SEQRES 1 B 8 DC DA DT DG DC DA DT DG 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 ATOM 1 O5' DC A 1 4.350 6.970 12.750 1.00 0.00 O ATOM 2 C5' DC A 1 5.760 6.860 12.990 1.00 0.00 C ATOM 3 C4' DC A 1 6.390 5.860 12.030 1.00 0.00 C ATOM 4 O4' DC A 1 5.720 4.590 12.140 1.00 0.00 O ATOM 5 C3' DC A 1 6.240 6.330 10.590 1.00 0.00 C ATOM 6 O3' DC A 1 7.520 6.800 10.120 1.00 0.00 O ATOM 7 C2' DC A 1 5.770 5.100 9.830 1.00 0.00 C ATOM 8 C1' DC A 1 5.840 3.970 10.850 1.00 0.00 C ATOM 9 N1 DC A 1 4.710 3.020 10.700 1.00 0.00 N ATOM 10 C2 DC A 1 4.980 1.650 10.610 1.00 0.00 C ATOM 11 O2 DC A 1 6.120 1.250 10.370 1.00 0.00 O ATOM 12 N3 DC A 1 3.970 0.770 10.670 1.00 0.00 N ATOM 13 C4 DC A 1 2.700 1.140 10.800 1.00 0.00 C ATOM 14 N4 DC A 1 1.740 0.220 10.850 1.00 0.00 N ATOM 15 C5 DC A 1 2.360 2.490 10.870 1.00 0.00 C ATOM 16 C6 DC A 1 3.370 3.430 10.830 1.00 0.00 C ATOM 17 H5' DC A 1 5.930 6.530 14.000 1.00 0.75 H ATOM 18 H5'' DC A 1 6.230 7.820 12.850 1.00 0.75 H ATOM 19 H4' DC A 1 7.430 5.740 12.260 1.00 0.75 H ATOM 20 H3' DC A 1 5.520 7.120 10.500 1.00 0.75 H ATOM 21 H2' DC A 1 4.750 5.200 9.480 1.00 0.70 H ATOM 22 H2'' DC A 1 6.400 4.880 8.980 1.00 0.70 H ATOM 23 H1' DC A 1 6.770 3.430 10.790 1.00 0.85 H ATOM 24 H41 DC A 1 1.980 -0.710 10.810 1.00 0.00 H ATOM 25 H42 DC A 1 0.820 0.480 10.940 1.00 0.00 H ATOM 26 H5 DC A 1 1.330 2.780 10.970 1.00 0.90 H ATOM 27 H6 DC A 1 3.150 4.470 11.030 1.00 0.90 H ATOM 28 HO5' DC A 1 4.030 7.800 13.100 1.00 0.00 H ATOM 29 P DA A 2 7.770 7.340 8.620 1.00 0.00 P ATOM 30 OP1 DA A 2 8.900 8.290 8.650 1.00 0.00 O ATOM 31 OP2 DA A 2 6.490 7.770 8.020 1.00 0.00 O ATOM 32 O5' DA A 2 8.230 5.980 7.890 1.00 0.00 O ATOM 33 C5' DA A 2 9.460 5.340 8.290 1.00 0.00 C ATOM 34 C4' DA A 2 9.660 4.030 7.550 1.00 0.00 C ATOM 35 O4' DA A 2 8.550 3.150 7.830 1.00 0.00 O ATOM 36 C3' DA A 2 9.710 4.260 6.050 1.00 0.00 C ATOM 37 O3' DA A 2 10.960 3.760 5.530 1.00 0.00 O ATOM 38 C2' DA A 2 8.510 3.510 5.510 1.00 0.00 C ATOM 39 C1' DA A 2 8.210 2.500 6.590 1.00 0.00 C ATOM 40 N9 DA A 2 6.770 2.150 6.660 1.00 0.00 N ATOM 41 C8 DA A 2 5.750 2.990 6.880 1.00 0.00 C ATOM 42 N7 DA A 2 4.640 2.300 7.140 1.00 0.00 N ATOM 43 C5 DA A 2 4.950 1.020 7.060 1.00 0.00 C ATOM 44 C6 DA A 2 4.210 -0.150 7.210 1.00 0.00 C ATOM 45 N6 DA A 2 2.940 -0.090 7.610 1.00 0.00 N ATOM 46 N1 DA A 2 4.810 -1.320 7.020 1.00 0.00 N ATOM 47 C2 DA A 2 6.090 -1.380 6.700 1.00 0.00 C ATOM 48 N3 DA A 2 6.840 -0.290 6.560 1.00 0.00 N ATOM 49 C4 DA A 2 6.290 0.910 6.740 1.00 0.00 C ATOM 50 H5' DA A 2 9.430 5.140 9.350 1.00 1.00 H ATOM 51 H5'' DA A 2 10.290 5.990 8.070 1.00 1.00 H ATOM 52 H4' DA A 2 10.580 3.560 7.870 1.00 1.00 H ATOM 53 H3' DA A 2 9.640 5.310 5.800 1.00 1.00 H ATOM 54 H2' DA A 2 7.650 4.160 5.380 1.00 0.85 H ATOM 55 H2'' DA A 2 8.710 3.000 4.590 1.00 0.85 H ATOM 56 H1' DA A 2 8.790 1.590 6.470 1.00 1.00 H ATOM 57 H8 DA A 2 5.760 4.030 6.620 1.00 1.00 H ATOM 58 H61 DA A 2 2.430 -0.890 7.730 1.00 0.00 H ATOM 59 H62 DA A 2 2.540 0.770 7.790 1.00 0.00 H ATOM 60 H2 DA A 2 6.550 -2.340 6.560 1.00 1.00 H ATOM 61 P DT A 3 11.480 4.160 4.060 1.00 0.00 P ATOM 62 OP1 DT A 3 12.960 4.010 4.040 1.00 0.00 O ATOM 63 OP2 DT A 3 10.890 5.450 3.660 1.00 0.00 O ATOM 64 O5' DT A 3 10.810 3.010 3.170 1.00 0.00 O ATOM 65 C5' DT A 3 11.310 1.660 3.220 1.00 0.00 C ATOM 66 C4' DT A 3 10.320 0.710 2.570 1.00 0.00 C ATOM 67 O4' DT A 3 9.040 0.760 3.230 1.00 0.00 O ATOM 68 C3' DT A 3 10.100 1.060 1.110 1.00 0.00 C ATOM 69 O3' DT A 3 10.720 0.030 0.310 1.00 0.00 O ATOM 70 C2' DT A 3 8.590 1.110 0.960 1.00 0.00 C ATOM 71 C1' DT A 3 8.090 0.420 2.210 1.00 0.00 C ATOM 72 N1 DT A 3 6.740 0.880 2.630 1.00 0.00 N ATOM 73 C2 DT A 3 5.740 -0.050 2.930 1.00 0.00 C ATOM 74 O2 DT A 3 5.880 -1.250 2.690 1.00 0.00 O ATOM 75 N3 DT A 3 4.520 0.390 3.450 1.00 0.00 N ATOM 76 C4 DT A 3 4.270 1.740 3.670 1.00 0.00 C ATOM 77 O4 DT A 3 3.180 2.080 4.130 1.00 0.00 O ATOM 78 C5 DT A 3 5.260 2.680 3.360 1.00 0.00 C ATOM 79 C7 DT A 3 5.090 4.170 3.670 1.00 0.00 C ATOM 80 C6 DT A 3 6.470 2.250 2.850 1.00 0.00 C ATOM 81 H5' DT A 3 11.470 1.370 4.250 1.00 1.00 H ATOM 82 H5'' DT A 3 12.250 1.600 2.690 1.00 1.00 H ATOM 83 H4' DT A 3 10.700 -0.300 2.640 1.00 1.00 H ATOM 84 H3' DT A 3 10.550 2.010 0.860 1.00 1.00 H ATOM 85 H2' DT A 3 8.200 2.110 0.920 1.00 0.85 H ATOM 86 H2'' DT A 3 8.250 0.570 0.090 1.00 0.85 H ATOM 87 H1' DT A 3 8.060 -0.660 2.100 1.00 1.00 H ATOM 88 H3 DT A 3 3.850 -0.260 3.670 1.00 0.00 H ATOM 89 H71 DT A 3 4.230 4.520 3.130 1.00 0.65 H ATOM 90 H72 DT A 3 4.950 4.260 4.740 1.00 0.65 H ATOM 91 H73 DT A 3 6.000 4.660 3.340 1.00 0.65 H ATOM 92 H6 DT A 3 7.200 2.990 2.560 1.00 1.00 H ATOM 93 P DG A 4 10.600 -0.080 -1.300 1.00 0.00 P ATOM 94 OP1 DG A 4 11.790 -0.800 -1.810 1.00 0.00 O ATOM 95 OP2 DG A 4 10.250 1.240 -1.870 1.00 0.00 O ATOM 96 O5' DG A 4 9.310 -1.040 -1.420 1.00 0.00 O ATOM 97 C5' DG A 4 9.370 -2.370 -0.880 1.00 0.00 C ATOM 98 C4' DG A 4 8.030 -3.080 -0.960 1.00 0.00 C ATOM 99 O4' DG A 4 7.030 -2.310 -0.260 1.00 0.00 O ATOM 100 C3' DG A 4 7.560 -3.240 -2.400 1.00 0.00 C ATOM 101 O3' DG A 4 7.230 -4.620 -2.610 1.00 0.00 O ATOM 102 C2' DG A 4 6.380 -2.300 -2.500 1.00 0.00 C ATOM 103 C1' DG A 4 5.850 -2.310 -1.080 1.00 0.00 C ATOM 104 N9 DG A 4 5.040 -1.120 -0.750 1.00 0.00 N ATOM 105 C8 DG A 4 5.390 0.170 -0.840 1.00 0.00 C ATOM 106 N7 DG A 4 4.460 0.940 -0.280 1.00 0.00 N ATOM 107 C5 DG A 4 3.490 0.140 0.140 1.00 0.00 C ATOM 108 C6 DG A 4 2.260 0.390 0.730 1.00 0.00 C ATOM 109 O6 DG A 4 1.950 1.530 1.060 1.00 0.00 O ATOM 110 N1 DG A 4 1.420 -0.690 0.970 1.00 0.00 N ATOM 111 C2 DG A 4 1.820 -1.980 0.650 1.00 0.00 C ATOM 112 N2 DG A 4 1.000 -3.000 0.820 1.00 0.00 N ATOM 113 N3 DG A 4 3.030 -2.190 0.110 1.00 0.00 N ATOM 114 C4 DG A 4 3.850 -1.170 -0.150 1.00 0.00 C ATOM 115 H5' DG A 4 9.680 -2.320 0.150 1.00 1.00 H ATOM 116 H5'' DG A 4 10.100 -2.940 -1.440 1.00 1.00 H ATOM 117 H4' DG A 4 8.100 -4.060 -0.510 1.00 1.00 H ATOM 118 H3' DG A 4 8.310 -2.930 -3.110 1.00 1.00 H ATOM 119 H2' DG A 4 6.660 -1.300 -2.800 1.00 0.85 H ATOM 120 H2'' DG A 4 5.620 -2.660 -3.180 1.00 0.85 H ATOM 121 H1' DG A 4 5.270 -3.200 -0.880 1.00 1.00 H ATOM 122 H8 DG A 4 6.230 0.540 -1.410 1.00 1.00 H ATOM 123 H1 DG A 4 0.560 -0.540 1.370 1.00 0.00 H ATOM 124 H21 DG A 4 0.120 -2.860 1.200 1.00 0.00 H ATOM 125 H22 DG A 4 1.270 -3.890 0.570 1.00 0.00 H ATOM 126 P DC A 5 6.550 -5.210 -3.950 1.00 0.00 P ATOM 127 OP1 DC A 5 7.000 -6.610 -4.120 1.00 0.00 O ATOM 128 OP2 DC A 5 6.720 -4.260 -5.070 1.00 0.00 O ATOM 129 O5' DC A 5 5.000 -5.210 -3.520 1.00 0.00 O ATOM 130 C5' DC A 5 4.540 -6.060 -2.450 1.00 0.00 C ATOM 131 C4' DC A 5 3.040 -5.960 -2.250 1.00 0.00 C ATOM 132 O4' DC A 5 2.680 -4.610 -1.920 1.00 0.00 O ATOM 133 C3' DC A 5 2.300 -6.330 -3.520 1.00 0.00 C ATOM 134 O3' DC A 5 1.340 -7.360 -3.220 1.00 0.00 O ATOM 135 C2' DC A 5 1.670 -5.030 -3.990 1.00 0.00 C ATOM 136 C1' DC A 5 1.520 -4.260 -2.690 1.00 0.00 C ATOM 137 N1 DC A 5 1.540 -2.790 -2.920 1.00 0.00 N ATOM 138 C2 DC A 5 0.560 -1.970 -2.360 1.00 0.00 C ATOM 139 O2 DC A 5 -0.500 -2.460 -1.940 1.00 0.00 O ATOM 140 N3 DC A 5 0.690 -0.650 -2.410 1.00 0.00 N ATOM 141 C4 DC A 5 1.730 -0.040 -3.000 1.00 0.00 C ATOM 142 N4 DC A 5 1.860 1.270 -2.910 1.00 0.00 N ATOM 143 C5 DC A 5 2.710 -0.800 -3.620 1.00 0.00 C ATOM 144 C6 DC A 5 2.620 -2.180 -3.580 1.00 0.00 C ATOM 145 H5' DC A 5 5.040 -5.780 -1.540 1.00 1.00 H ATOM 146 H5'' DC A 5 4.790 -7.090 -2.690 1.00 1.00 H ATOM 147 H4' DC A 5 2.730 -6.630 -1.470 1.00 1.00 H ATOM 148 H3' DC A 5 2.980 -6.720 -4.260 1.00 1.00 H ATOM 149 H2' DC A 5 2.290 -4.460 -4.660 1.00 0.85 H ATOM 150 H2'' DC A 5 0.700 -5.190 -4.440 1.00 0.85 H ATOM 151 H1' DC A 5 0.630 -4.530 -2.150 1.00 1.00 H ATOM 152 H41 DC A 5 1.200 1.780 -2.420 1.00 0.00 H ATOM 153 H42 DC A 5 2.610 1.710 -3.300 1.00 0.00 H ATOM 154 H5 DC A 5 3.590 -0.330 -4.020 1.00 1.00 H ATOM 155 H6 DC A 5 3.420 -2.790 -3.970 1.00 1.00 H ATOM 156 P DA A 6 0.220 -7.900 -4.260 1.00 0.00 P ATOM 157 OP1 DA A 6 -0.150 -9.270 -3.860 1.00 0.00 O ATOM 158 OP2 DA A 6 0.670 -7.650 -5.650 1.00 0.00 O ATOM 159 O5' DA A 6 -1.000 -6.900 -3.920 1.00 0.00 O ATOM 160 C5' DA A 6 -1.620 -6.940 -2.630 1.00 0.00 C ATOM 161 C4' DA A 6 -2.850 -6.060 -2.540 1.00 0.00 C ATOM 162 O4' DA A 6 -2.500 -4.680 -2.770 1.00 0.00 O ATOM 163 C3' DA A 6 -3.880 -6.440 -3.590 1.00 0.00 C ATOM 164 O3' DA A 6 -5.170 -6.560 -2.970 1.00 0.00 O ATOM 165 C2' DA A 6 -3.820 -5.300 -4.600 1.00 0.00 C ATOM 166 C1' DA A 6 -3.450 -4.130 -3.710 1.00 0.00 C ATOM 167 N9 DA A 6 -2.800 -3.020 -4.440 1.00 0.00 N ATOM 168 C8 DA A 6 -1.620 -3.070 -5.060 1.00 0.00 C ATOM 169 N7 DA A 6 -1.130 -1.850 -5.220 1.00 0.00 N ATOM 170 C5 DA A 6 -2.020 -1.000 -4.730 1.00 0.00 C ATOM 171 C6 DA A 6 -2.070 0.380 -4.650 1.00 0.00 C ATOM 172 N6 DA A 6 -0.990 1.100 -4.910 1.00 0.00 N ATOM 173 N1 DA A 6 -3.170 0.960 -4.160 1.00 0.00 N ATOM 174 C2 DA A 6 -4.190 0.220 -3.750 1.00 0.00 C ATOM 175 N3 DA A 6 -4.170 -1.100 -3.780 1.00 0.00 N ATOM 176 C4 DA A 6 -3.100 -1.740 -4.270 1.00 0.00 C ATOM 177 H5' DA A 6 -0.900 -6.620 -1.890 1.00 1.00 H ATOM 178 H5'' DA A 6 -1.910 -7.960 -2.410 1.00 1.00 H ATOM 179 H4' DA A 6 -3.300 -6.150 -1.560 1.00 1.00 H ATOM 180 H3' DA A 6 -3.640 -7.380 -4.070 1.00 1.00 H ATOM 181 H2' DA A 6 -3.050 -5.420 -5.360 1.00 0.85 H ATOM 182 H2'' DA A 6 -4.760 -5.120 -5.090 1.00 0.85 H ATOM 183 H1' DA A 6 -4.310 -3.750 -3.180 1.00 1.00 H ATOM 184 H8 DA A 6 -1.240 -3.960 -5.550 1.00 1.00 H ATOM 185 H61 DA A 6 -1.000 2.050 -4.790 1.00 0.00 H ATOM 186 H62 DA A 6 -0.170 0.660 -5.170 1.00 0.00 H ATOM 187 H2 DA A 6 -5.060 0.720 -3.340 1.00 1.00 H ATOM 188 P DT A 7 -6.430 -7.210 -3.720 1.00 0.00 P ATOM 189 OP1 DT A 7 -7.380 -7.710 -2.690 1.00 0.00 O ATOM 190 OP2 DT A 7 -5.960 -8.150 -4.760 1.00 0.00 O ATOM 191 O5' DT A 7 -7.050 -5.920 -4.450 1.00 0.00 O ATOM 192 C5' DT A 7 -7.840 -4.970 -3.720 1.00 0.00 C ATOM 193 C4' DT A 7 -8.060 -3.720 -4.550 1.00 0.00 C ATOM 194 O4' DT A 7 -6.810 -3.080 -4.900 1.00 0.00 O ATOM 195 C3' DT A 7 -8.770 -4.040 -5.850 1.00 0.00 C ATOM 196 O3' DT A 7 -10.150 -3.680 -5.720 1.00 0.00 O ATOM 197 C2' DT A 7 -8.030 -3.200 -6.880 1.00 0.00 C ATOM 198 C1' DT A 7 -7.150 -2.290 -6.050 1.00 0.00 C ATOM 199 N1 DT A 7 -5.910 -1.860 -6.740 1.00 0.00 N ATOM 200 C2 DT A 7 -5.600 -0.500 -6.800 1.00 0.00 C ATOM 201 O2 DT A 7 -6.400 0.370 -6.480 1.00 0.00 O ATOM 202 N3 DT A 7 -4.370 -0.100 -7.320 1.00 0.00 N ATOM 203 C4 DT A 7 -3.460 -1.030 -7.820 1.00 0.00 C ATOM 204 O4 DT A 7 -2.360 -0.640 -8.200 1.00 0.00 O ATOM 205 C5 DT A 7 -3.780 -2.380 -7.800 1.00 0.00 C ATOM 206 C7 DT A 7 -2.900 -3.440 -8.460 1.00 0.00 C ATOM 207 C6 DT A 7 -4.990 -2.790 -7.250 1.00 0.00 C ATOM 208 H5' DT A 7 -7.350 -4.710 -2.790 1.00 1.00 H ATOM 209 H5'' DT A 7 -8.810 -5.400 -3.490 1.00 1.00 H ATOM 210 H4' DT A 7 -8.660 -3.020 -4.000 1.00 1.00 H ATOM 211 H3' DT A 7 -8.700 -5.090 -6.110 1.00 1.00 H ATOM 212 H2' DT A 7 -7.410 -3.810 -7.540 1.00 0.85 H ATOM 213 H2'' DT A 7 -8.710 -2.610 -7.470 1.00 0.85 H ATOM 214 H1' DT A 7 -7.690 -1.410 -5.730 1.00 1.00 H ATOM 215 H3 DT A 7 -4.140 0.830 -7.330 1.00 0.00 H ATOM 216 H71 DT A 7 -2.770 -3.150 -9.490 1.00 0.65 H ATOM 217 H72 DT A 7 -1.960 -3.460 -7.930 1.00 0.65 H ATOM 218 H73 DT A 7 -3.420 -4.380 -8.380 1.00 0.65 H ATOM 219 H6 DT A 7 -5.230 -3.840 -7.260 1.00 1.00 H ATOM 220 P DG A 8 -11.240 -3.810 -6.910 1.00 0.00 P ATOM 221 OP1 DG A 8 -12.590 -3.870 -6.290 1.00 0.00 O ATOM 222 OP2 DG A 8 -10.830 -4.880 -7.840 1.00 0.00 O ATOM 223 O5' DG A 8 -11.050 -2.390 -7.650 1.00 0.00 O ATOM 224 C5' DG A 8 -11.390 -1.170 -6.970 1.00 0.00 C ATOM 225 C4' DG A 8 -10.920 0.030 -7.760 1.00 0.00 C ATOM 226 O4' DG A 8 -9.490 -0.050 -7.930 1.00 0.00 O ATOM 227 C3' DG A 8 -11.530 0.080 -9.150 1.00 0.00 C ATOM 228 O3' DG A 8 -12.120 1.350 -9.400 1.00 0.00 O ATOM 229 C2' DG A 8 -10.370 -0.140 -10.090 1.00 0.00 C ATOM 230 C1' DG A 8 -9.240 0.430 -9.260 1.00 0.00 C ATOM 231 N9 DG A 8 -7.890 0.020 -9.720 1.00 0.00 N ATOM 232 C8 DG A 8 -7.410 -1.210 -9.910 1.00 0.00 C ATOM 233 N7 DG A 8 -6.120 -1.140 -10.230 1.00 0.00 N ATOM 234 C5 DG A 8 -5.790 0.140 -10.250 1.00 0.00 C ATOM 235 C6 DG A 8 -4.600 0.800 -10.540 1.00 0.00 C ATOM 236 O6 DG A 8 -3.600 0.170 -10.840 1.00 0.00 O ATOM 237 N1 DG A 8 -4.590 2.190 -10.490 1.00 0.00 N ATOM 238 C2 DG A 8 -5.760 2.890 -10.160 1.00 0.00 C ATOM 239 N2 DG A 8 -5.760 4.220 -10.120 1.00 0.00 N ATOM 240 N3 DG A 8 -6.880 2.220 -9.890 1.00 0.00 N ATOM 241 C4 DG A 8 -6.910 0.880 -9.930 1.00 0.00 C ATOM 242 H5' DG A 8 -10.930 -1.160 -5.990 1.00 0.95 H ATOM 243 H5'' DG A 8 -12.460 -1.110 -6.850 1.00 0.95 H ATOM 244 H4' DG A 8 -11.160 0.940 -7.220 1.00 0.95 H ATOM 245 H3' DG A 8 -12.300 -0.690 -9.280 1.00 0.90 H ATOM 246 HO3' DG A 8 -11.590 2.150 -9.340 1.00 0.00 H ATOM 247 H2' DG A 8 -10.150 -1.170 -10.330 1.00 0.80 H ATOM 248 H2'' DG A 8 -10.440 0.420 -11.020 1.00 0.80 H ATOM 249 H1' DG A 8 -9.270 1.510 -9.270 1.00 0.90 H ATOM 250 H8 DG A 8 -8.000 -2.110 -9.910 1.00 0.90 H ATOM 251 H1 DG A 8 -3.780 2.670 -10.660 1.00 0.00 H ATOM 252 H21 DG A 8 -4.960 4.710 -10.310 1.00 0.00 H ATOM 253 H22 DG A 8 -6.570 4.680 -9.910 1.00 0.00 H TER 254 DG A 8 ATOM 255 O5' DC B 9 2.460 7.960 -12.750 1.00 0.00 O ATOM 256 C5' DC B 9 1.380 8.860 -13.020 1.00 0.00 C ATOM 257 C4' DC B 9 0.230 8.620 -12.040 1.00 0.00 C ATOM 258 O4' DC B 9 -0.230 7.260 -12.130 1.00 0.00 O ATOM 259 C3' DC B 9 0.660 8.850 -10.600 1.00 0.00 C ATOM 260 O3' DC B 9 0.160 10.120 -10.170 1.00 0.00 O ATOM 261 C2' DC B 9 0.040 7.700 -9.830 1.00 0.00 C ATOM 262 C1' DC B 9 -0.820 6.980 -10.850 1.00 0.00 C ATOM 263 N1 DC B 9 -0.810 5.500 -10.650 1.00 0.00 N ATOM 264 C2 DC B 9 -2.020 4.810 -10.550 1.00 0.00 C ATOM 265 O2 DC B 9 -3.060 5.410 -10.290 1.00 0.00 O ATOM 266 N3 DC B 9 -2.030 3.480 -10.610 1.00 0.00 N ATOM 267 C4 DC B 9 -0.910 2.750 -10.730 1.00 0.00 C ATOM 268 N4 DC B 9 -0.980 1.430 -10.830 1.00 0.00 N ATOM 269 C5 DC B 9 0.330 3.380 -10.800 1.00 0.00 C ATOM 270 C6 DC B 9 0.380 4.760 -10.760 1.00 0.00 C ATOM 271 H5' DC B 9 1.020 8.710 -14.030 1.00 0.75 H ATOM 272 H5'' DC B 9 1.720 9.880 -12.910 1.00 0.75 H ATOM 273 H4' DC B 9 -0.590 9.290 -12.280 1.00 0.75 H ATOM 274 H3' DC B 9 1.730 8.840 -10.500 1.00 0.75 H ATOM 275 H2' DC B 9 0.780 7.010 -9.440 1.00 0.70 H ATOM 276 H2'' DC B 9 -0.560 8.040 -9.000 1.00 0.70 H ATOM 277 H1' DC B 9 -1.850 7.320 -10.840 1.00 0.85 H ATOM 278 H41 DC B 9 -1.840 1.000 -10.810 1.00 0.00 H ATOM 279 H42 DC B 9 -0.190 0.910 -10.920 1.00 0.00 H ATOM 280 H5 DC B 9 1.230 2.790 -10.920 1.00 0.90 H ATOM 281 H6 DC B 9 1.310 5.280 -10.980 1.00 0.90 H ATOM 282 HO5' DC B 9 2.100 7.110 -12.470 1.00 0.00 H ATOM 283 P DA B 10 0.380 10.710 -8.680 1.00 0.00 P ATOM 284 OP1 DA B 10 0.330 12.190 -8.750 1.00 0.00 O ATOM 285 OP2 DA B 10 1.560 10.070 -8.060 1.00 0.00 O ATOM 286 O5' DA B 10 -0.940 10.160 -7.930 1.00 0.00 O ATOM 287 C5' DA B 10 -2.230 10.640 -8.320 1.00 0.00 C ATOM 288 C4' DA B 10 -3.330 9.930 -7.550 1.00 0.00 C ATOM 289 O4' DA B 10 -3.270 8.520 -7.820 1.00 0.00 O ATOM 290 C3' DA B 10 -3.170 10.130 -6.050 1.00 0.00 C ATOM 291 O3' DA B 10 -4.350 10.750 -5.510 1.00 0.00 O ATOM 292 C2' DA B 10 -2.930 8.740 -5.510 1.00 0.00 C ATOM 293 C1' DA B 10 -3.510 7.840 -6.580 1.00 0.00 C ATOM 294 N9 DA B 10 -2.820 6.520 -6.660 1.00 0.00 N ATOM 295 C8 DA B 10 -1.520 6.320 -6.870 1.00 0.00 C ATOM 296 N7 DA B 10 -1.290 5.030 -7.130 1.00 0.00 N ATOM 297 C5 DA B 10 -2.460 4.410 -7.060 1.00 0.00 C ATOM 298 C6 DA B 10 -2.840 3.090 -7.220 1.00 0.00 C ATOM 299 N6 DA B 10 -1.940 2.170 -7.540 1.00 0.00 N ATOM 300 N1 DA B 10 -4.130 2.770 -7.050 1.00 0.00 N ATOM 301 C2 DA B 10 -5.020 3.690 -6.750 1.00 0.00 C ATOM 302 N3 DA B 10 -4.700 4.960 -6.600 1.00 0.00 N ATOM 303 C4 DA B 10 -3.430 5.350 -6.750 1.00 0.00 C ATOM 304 H5' DA B 10 -2.380 10.470 -9.370 1.00 1.00 H ATOM 305 H5'' DA B 10 -2.300 11.700 -8.120 1.00 1.00 H ATOM 306 H4' DA B 10 -4.300 10.310 -7.850 1.00 1.00 H ATOM 307 H3' DA B 10 -2.320 10.760 -5.830 1.00 1.00 H ATOM 308 H2' DA B 10 -1.880 8.520 -5.390 1.00 0.85 H ATOM 309 H2'' DA B 10 -3.440 8.570 -4.580 1.00 0.85 H ATOM 310 H1' DA B 10 -4.570 7.670 -6.440 1.00 1.00 H ATOM 311 H8 DA B 10 -0.740 7.020 -6.610 1.00 1.00 H ATOM 312 H61 DA B 10 -2.200 1.250 -7.650 1.00 0.00 H ATOM 313 H62 DA B 10 -1.020 2.420 -7.660 1.00 0.00 H ATOM 314 H2 DA B 10 -6.050 3.390 -6.620 1.00 1.00 H ATOM 315 P DT B 11 -4.370 11.410 -4.040 1.00 0.00 P ATOM 316 OP1 DT B 11 -5.430 12.440 -4.010 1.00 0.00 O ATOM 317 OP2 DT B 11 -2.990 11.790 -3.650 1.00 0.00 O ATOM 318 O5' DT B 11 -4.810 10.150 -3.140 1.00 0.00 O ATOM 319 C5' DT B 11 -6.150 9.640 -3.220 1.00 0.00 C ATOM 320 C4' DT B 11 -6.250 8.290 -2.530 1.00 0.00 C ATOM 321 O4' DT B 11 -5.380 7.330 -3.170 1.00 0.00 O ATOM 322 C3' DT B 11 -5.840 8.380 -1.070 1.00 0.00 C ATOM 323 O3' DT B 11 -7.010 8.180 -0.260 1.00 0.00 O ATOM 324 C2' DT B 11 -4.800 7.280 -0.900 1.00 0.00 C ATOM 325 C1' DT B 11 -5.000 6.410 -2.130 1.00 0.00 C ATOM 326 N1 DT B 11 -3.760 5.710 -2.560 1.00 0.00 N ATOM 327 C2 DT B 11 -3.800 4.340 -2.860 1.00 0.00 C ATOM 328 O2 DT B 11 -4.790 3.650 -2.630 1.00 0.00 O ATOM 329 N3 DT B 11 -2.660 3.720 -3.380 1.00 0.00 N ATOM 330 C4 DT B 11 -1.490 4.430 -3.610 1.00 0.00 C ATOM 331 O4 DT B 11 -0.510 3.840 -4.070 1.00 0.00 O ATOM 332 C5 DT B 11 -1.450 5.790 -3.320 1.00 0.00 C ATOM 333 C7 DT B 11 -0.240 6.670 -3.650 1.00 0.00 C ATOM 334 C6 DT B 11 -2.570 6.410 -2.790 1.00 0.00 C ATOM 335 H5' DT B 11 -6.430 9.530 -4.260 1.00 1.00 H ATOM 336 H5'' DT B 11 -6.830 10.330 -2.740 1.00 1.00 H ATOM 337 H4' DT B 11 -7.260 7.930 -2.590 1.00 1.00 H ATOM 338 H3' DT B 11 -5.410 9.350 -0.840 1.00 1.00 H ATOM 339 H2' DT B 11 -3.790 7.640 -0.880 1.00 0.85 H ATOM 340 H2'' DT B 11 -4.980 6.690 -0.020 1.00 0.85 H ATOM 341 H1' DT B 11 -5.780 5.680 -1.990 1.00 1.00 H ATOM 342 H3 DT B 11 -2.700 2.780 -3.600 1.00 0.00 H ATOM 343 H71 DT B 11 0.620 6.260 -3.140 1.00 0.65 H ATOM 344 H72 DT B 11 -0.100 6.630 -4.720 1.00 0.65 H ATOM 345 H73 DT B 11 -0.470 7.670 -3.300 1.00 0.65 H ATOM 346 H6 DT B 11 -2.500 7.450 -2.530 1.00 1.00 H ATOM 347 P DG B 12 -7.000 7.990 1.350 1.00 0.00 P ATOM 348 OP1 DG B 12 -8.310 8.410 1.870 1.00 0.00 O ATOM 349 OP2 DG B 12 -5.770 8.590 1.920 1.00 0.00 O ATOM 350 O5' DG B 12 -6.870 6.390 1.450 1.00 0.00 O ATOM 351 C5' DG B 12 -7.920 5.560 0.910 1.00 0.00 C ATOM 352 C4' DG B 12 -7.570 4.090 0.990 1.00 0.00 C ATOM 353 O4' DG B 12 -6.330 3.850 0.290 1.00 0.00 O ATOM 354 C3' DG B 12 -7.380 3.620 2.420 1.00 0.00 C ATOM 355 O3' DG B 12 -8.220 2.480 2.640 1.00 0.00 O ATOM 356 C2' DG B 12 -5.900 3.340 2.530 1.00 0.00 C ATOM 357 C1' DG B 12 -5.560 2.940 1.110 1.00 0.00 C ATOM 358 N9 DG B 12 -4.120 3.100 0.780 1.00 0.00 N ATOM 359 C8 DG B 12 -3.380 4.200 0.870 1.00 0.00 C ATOM 360 N7 DG B 12 -2.190 4.000 0.310 1.00 0.00 N ATOM 361 C5 DG B 12 -2.170 2.750 -0.130 1.00 0.00 C ATOM 362 C6 DG B 12 -1.180 1.980 -0.720 1.00 0.00 C ATOM 363 O6 DG B 12 -0.110 2.480 -1.070 1.00 0.00 O ATOM 364 N1 DG B 12 -1.440 0.640 -0.970 1.00 0.00 N ATOM 365 C2 DG B 12 -2.690 0.100 -0.640 1.00 0.00 C ATOM 366 N2 DG B 12 -2.910 -1.200 -0.790 1.00 0.00 N ATOM 367 N3 DG B 12 -3.630 0.880 -0.090 1.00 0.00 N ATOM 368 C4 DG B 12 -3.390 2.170 0.170 1.00 0.00 C ATOM 369 H5' DG B 12 -8.080 5.830 -0.120 1.00 1.00 H ATOM 370 H5'' DG B 12 -8.830 5.730 1.470 1.00 1.00 H ATOM 371 H4' DG B 12 -8.350 3.500 0.530 1.00 1.00 H ATOM 372 H3' DG B 12 -7.630 4.390 3.140 1.00 1.00 H ATOM 373 H2' DG B 12 -5.320 4.200 2.830 1.00 0.85 H ATOM 374 H2'' DG B 12 -5.680 2.520 3.200 1.00 0.85 H ATOM 375 H1' DG B 12 -5.860 1.920 0.900 1.00 1.00 H ATOM 376 H8 DG B 12 -3.640 5.080 1.440 1.00 1.00 H ATOM 377 H1 DG B 12 -0.770 0.080 -1.380 1.00 0.00 H ATOM 378 H21 DG B 12 -2.240 -1.760 -1.170 1.00 0.00 H ATOM 379 H22 DG B 12 -3.750 -1.570 -0.510 1.00 0.00 H ATOM 380 P DC B 13 -8.210 1.560 3.970 1.00 0.00 P ATOM 381 OP1 DC B 13 -9.560 0.990 4.150 1.00 0.00 O ATOM 382 OP2 DC B 13 -7.590 2.290 5.090 1.00 0.00 O ATOM 383 O5' DC B 13 -7.200 0.390 3.510 1.00 0.00 O ATOM 384 C5' DC B 13 -7.570 -0.520 2.460 1.00 0.00 C ATOM 385 C4' DC B 13 -6.520 -1.590 2.270 1.00 0.00 C ATOM 386 O4' DC B 13 -5.250 -0.990 1.930 1.00 0.00 O ATOM 387 C3' DC B 13 -6.310 -2.400 3.540 1.00 0.00 C ATOM 388 O3' DC B 13 -6.450 -3.790 3.230 1.00 0.00 O ATOM 389 C2' DC B 13 -4.930 -2.020 4.010 1.00 0.00 C ATOM 390 C1' DC B 13 -4.240 -1.640 2.720 1.00 0.00 C ATOM 391 N1 DC B 13 -3.130 -0.670 2.940 1.00 0.00 N ATOM 392 C2 DC B 13 -1.870 -0.900 2.370 1.00 0.00 C ATOM 393 O2 DC B 13 -1.560 -2.020 1.960 1.00 0.00 O ATOM 394 N3 DC B 13 -0.940 0.060 2.420 1.00 0.00 N ATOM 395 C4 DC B 13 -1.150 1.240 3.000 1.00 0.00 C ATOM 396 N4 DC B 13 -0.230 2.190 2.910 1.00 0.00 N ATOM 397 C5 DC B 13 -2.360 1.510 3.620 1.00 0.00 C ATOM 398 C6 DC B 13 -3.360 0.550 3.590 1.00 0.00 C ATOM 399 H5' DC B 13 -7.690 0.030 1.540 1.00 1.00 H ATOM 400 H5'' DC B 13 -8.500 -1.000 2.720 1.00 1.00 H ATOM 401 H4' DC B 13 -6.820 -2.270 1.480 1.00 1.00 H ATOM 402 H3' DC B 13 -7.060 -2.140 4.270 1.00 1.00 H ATOM 403 H2' DC B 13 -4.900 -1.160 4.680 1.00 0.85 H ATOM 404 H2'' DC B 13 -4.410 -2.840 4.490 1.00 0.85 H ATOM 405 H1' DC B 13 -3.860 -2.500 2.180 1.00 1.00 H ATOM 406 H41 DC B 13 0.590 2.010 2.430 1.00 0.00 H ATOM 407 H42 DC B 13 -0.370 3.050 3.310 1.00 0.00 H ATOM 408 H5 DC B 13 -2.570 2.480 4.030 1.00 1.00 H ATOM 409 H6 DC B 13 -4.330 0.770 3.980 1.00 1.00 H ATOM 410 P DA B 14 -6.150 -5.000 4.260 1.00 0.00 P ATOM 411 OP1 DA B 14 -6.980 -6.160 3.870 1.00 0.00 O ATOM 412 OP2 DA B 14 -6.250 -4.500 5.650 1.00 0.00 O ATOM 413 O5' DA B 14 -4.600 -5.310 3.940 1.00 0.00 O ATOM 414 C5' DA B 14 -4.240 -5.820 2.650 1.00 0.00 C ATOM 415 C4' DA B 14 -2.760 -6.170 2.560 1.00 0.00 C ATOM 416 O4' DA B 14 -1.950 -5.000 2.790 1.00 0.00 O ATOM 417 C3' DA B 14 -2.360 -7.190 3.620 1.00 0.00 C ATOM 418 O3' DA B 14 -1.600 -8.240 2.990 1.00 0.00 O ATOM 419 C2' DA B 14 -1.550 -6.400 4.620 1.00 0.00 C ATOM 420 C1' DA B 14 -0.910 -5.360 3.720 1.00 0.00 C ATOM 421 N9 DA B 14 -0.500 -4.130 4.450 1.00 0.00 N ATOM 422 C8 DA B 14 -1.310 -3.280 5.070 1.00 0.00 C ATOM 423 N7 DA B 14 -0.710 -2.110 5.240 1.00 0.00 N ATOM 424 C5 DA B 14 0.520 -2.230 4.750 1.00 0.00 C ATOM 425 C6 DA B 14 1.600 -1.360 4.680 1.00 0.00 C ATOM 426 N6 DA B 14 1.450 -0.080 5.020 1.00 0.00 N ATOM 427 N1 DA B 14 2.760 -1.810 4.190 1.00 0.00 N ATOM 428 C2 DA B 14 2.860 -3.060 3.760 1.00 0.00 C ATOM 429 N3 DA B 14 1.860 -3.910 3.790 1.00 0.00 N ATOM 430 C4 DA B 14 0.670 -3.520 4.280 1.00 0.00 C ATOM 431 H5' DA B 14 -4.460 -5.090 1.890 1.00 1.00 H ATOM 432 H5'' DA B 14 -4.810 -6.710 2.450 1.00 1.00 H ATOM 433 H4' DA B 14 -2.540 -6.570 1.580 1.00 1.00 H ATOM 434 H3' DA B 14 -3.220 -7.640 4.090 1.00 1.00 H ATOM 435 H2' DA B 14 -2.140 -5.900 5.370 1.00 0.85 H ATOM 436 H2'' DA B 14 -0.780 -6.980 5.110 1.00 0.85 H ATOM 437 H1' DA B 14 -0.050 -5.750 3.190 1.00 1.00 H ATOM 438 H8 DA B 14 -2.220 -3.570 5.560 1.00 1.00 H ATOM 439 H61 DA B 14 2.190 0.530 4.920 1.00 0.00 H ATOM 440 H62 DA B 14 0.600 0.230 5.330 1.00 0.00 H ATOM 441 H2 DA B 14 3.810 -3.390 3.350 1.00 1.00 H ATOM 442 P DT B 15 -1.240 -9.620 3.730 1.00 0.00 P ATOM 443 OP1 DT B 15 -1.000 -10.660 2.690 1.00 0.00 O ATOM 444 OP2 DT B 15 -2.230 -9.890 4.790 1.00 0.00 O ATOM 445 O5' DT B 15 0.160 -9.240 4.440 1.00 0.00 O ATOM 446 C5' DT B 15 1.370 -9.170 3.670 1.00 0.00 C ATOM 447 C4' DT B 15 2.470 -8.520 4.490 1.00 0.00 C ATOM 448 O4' DT B 15 2.150 -7.170 4.870 1.00 0.00 O ATOM 449 C3' DT B 15 2.740 -9.280 5.780 1.00 0.00 C ATOM 450 O3' DT B 15 3.950 -10.050 5.620 1.00 0.00 O ATOM 451 C2' DT B 15 2.880 -8.200 6.830 1.00 0.00 C ATOM 452 C1' DT B 15 2.980 -6.930 6.010 1.00 0.00 C ATOM 453 N1 DT B 15 2.510 -5.710 6.730 1.00 0.00 N ATOM 454 C2 DT B 15 3.330 -4.580 6.790 1.00 0.00 C ATOM 455 O2 DT B 15 4.510 -4.610 6.450 1.00 0.00 O ATOM 456 N3 DT B 15 2.820 -3.400 7.330 1.00 0.00 N ATOM 457 C4 DT B 15 1.520 -3.330 7.830 1.00 0.00 C ATOM 458 O4 DT B 15 1.090 -2.250 8.230 1.00 0.00 O ATOM 459 C5 DT B 15 0.720 -4.460 7.800 1.00 0.00 C ATOM 460 C7 DT B 15 -0.670 -4.500 8.440 1.00 0.00 C ATOM 461 C6 DT B 15 1.200 -5.640 7.240 1.00 0.00 C ATOM 462 H5' DT B 15 1.210 -8.580 2.780 1.00 1.00 H ATOM 463 H5'' DT B 15 1.680 -10.160 3.390 1.00 1.00 H ATOM 464 H4' DT B 15 3.380 -8.500 3.910 1.00 1.00 H ATOM 465 H3' DT B 15 1.930 -9.950 6.040 1.00 1.00 H ATOM 466 H2' DT B 15 2.030 -8.140 7.480 1.00 0.85 H ATOM 467 H2'' DT B 15 3.780 -8.320 7.410 1.00 0.85 H ATOM 468 H1' DT B 15 4.000 -6.740 5.670 1.00 1.00 H ATOM 469 H3 DT B 15 3.380 -2.620 7.350 1.00 0.00 H ATOM 470 H71 DT B 15 -0.570 -4.170 9.460 1.00 0.65 H ATOM 471 H72 DT B 15 -1.310 -3.820 7.880 1.00 0.65 H ATOM 472 H73 DT B 15 -1.030 -5.510 8.380 1.00 0.65 H ATOM 473 H6 DT B 15 0.570 -6.510 7.250 1.00 1.00 H ATOM 474 P DG B 16 4.600 -10.960 6.790 1.00 0.00 P ATOM 475 OP1 DG B 16 5.460 -11.980 6.150 1.00 0.00 O ATOM 476 OP2 DG B 16 3.550 -11.400 7.730 1.00 0.00 O ATOM 477 O5' DG B 16 5.530 -9.880 7.540 1.00 0.00 O ATOM 478 C5' DG B 16 6.670 -9.320 6.880 1.00 0.00 C ATOM 479 C4' DG B 16 7.250 -8.150 7.660 1.00 0.00 C ATOM 480 O4' DG B 16 6.220 -7.150 7.830 1.00 0.00 O ATOM 481 C3' DG B 16 7.710 -8.560 9.050 1.00 0.00 C ATOM 482 O3' DG B 16 9.040 -8.080 9.320 1.00 0.00 O ATOM 483 C2' DG B 16 6.760 -7.850 9.990 1.00 0.00 C ATOM 484 C1' DG B 16 6.420 -6.640 9.160 1.00 0.00 C ATOM 485 N9 DG B 16 5.230 -5.900 9.630 1.00 0.00 N ATOM 486 C8 DG B 16 3.990 -6.350 9.850 1.00 0.00 C ATOM 487 N7 DG B 16 3.200 -5.350 10.210 1.00 0.00 N ATOM 488 C5 DG B 16 3.950 -4.250 10.240 1.00 0.00 C ATOM 489 C6 DG B 16 3.680 -2.930 10.570 1.00 0.00 C ATOM 490 O6 DG B 16 2.530 -2.590 10.850 1.00 0.00 O ATOM 491 N1 DG B 16 4.720 -2.010 10.520 1.00 0.00 N ATOM 492 C2 DG B 16 6.000 -2.420 10.140 1.00 0.00 C ATOM 493 N2 DG B 16 7.000 -1.550 10.090 1.00 0.00 N ATOM 494 N3 DG B 16 6.220 -3.690 9.830 1.00 0.00 N ATOM 495 C4 DG B 16 5.240 -4.600 9.870 1.00 0.00 C ATOM 496 H5' DG B 16 6.390 -8.980 5.890 1.00 0.95 H ATOM 497 H5'' DG B 16 7.430 -10.080 6.770 1.00 0.95 H ATOM 498 H4' DG B 16 8.070 -7.720 7.100 1.00 0.95 H ATOM 499 H3' DG B 16 7.700 -9.630 9.190 1.00 0.90 H ATOM 500 HO3' DG B 16 9.770 -8.370 8.780 1.00 0.00 H ATOM 501 H2' DG B 16 5.850 -8.400 10.220 1.00 0.80 H ATOM 502 H2'' DG B 16 7.210 -7.530 10.920 1.00 0.80 H ATOM 503 H1' DG B 16 7.240 -5.940 9.150 1.00 0.90 H ATOM 504 H8 DG B 16 3.700 -7.390 9.840 1.00 0.90 H ATOM 505 H1 DG B 16 4.550 -1.090 10.740 1.00 0.00 H ATOM 506 H21 DG B 16 6.850 -0.630 10.310 1.00 0.00 H ATOM 507 H22 DG B 16 7.870 -1.840 9.830 1.00 0.00 H TER 508 DG B 16 MASTER 200 0 0 0 0 0 0 6 506 2 0 2 END