USER MOD reduce.3.24.130724 H: found=0, std=0, add=228, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 228 hydrogens (24 hets) HEADER DNA 28-SEP-98 1BX5 TITLE NMR SOLUTION STRUCTURE OF [D(GCGAAT-3'-3'-ALPHAT-5'-5'-CGC) TITLE 2 2] COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*GP*AP*AP*TP*(ATD)P*CP*GP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 OTHER_DETAILS: ALPHA ANOMERIC THYMIDINES AT POSITION 7 3'- COMPND 7 3' PHOSPHODIESTER LINKAGE BETWEEN T6 AND ALPHAT7 5'-5' COMPND 8 PHOSPHODIESTER LINKAGE BETWEEN ALPHAT7 AND C8 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS ALPHA ANOMERIC, POLARITY REVERSALS, DNA EXPDTA SOLUTION NMR AUTHOR J.M.ARAMINI,A.MUJEEB,M.W.GERMANN REVDAT 3 24-FEB-09 1BX5 1 VERSN REVDAT 2 22-DEC-99 1BX5 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 06-JAN-99 1BX5 0 JRNL AUTH J.M.ARAMINI,A.MUJEEB,M.W.GERMANN JRNL TITL NMR SOLUTION STRUCTURES OF JRNL TITL 2 [D(GCGAAT-3'-3'-ALPHAT-5'-5'-CGC)2] AND ITS JRNL TITL 3 UNMODIFIED CONTROL. JRNL REF NUCLEIC ACIDS RES. V. 26 5644 1998 JRNL REFN ISSN 0305-1048 JRNL PMID 9837995 JRNL DOI 10.1093/NAR/26.24.5644 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.1 REMARK 3 AUTHORS : PEARLMAN ET AL., 1995 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE REMARK 4 REMARK 4 1BX5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-SEP-99. REMARK 100 THE RCSB ID CODE IS RCSB008176. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 50 MM NACL, 10 MM REMARK 210 NAPHOSPHATE, 0.1 MM EDTA REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : RAMDMARDI, AMBER 4.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 9 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: MEAN STRUCTURE. THE STRUCTURE WAS DETERMINED USING REMARK 210 DISTANCE AND TORSION ANGLE RESTRAINTS OBTAINED FROM REMARK 210 HOMONUCLEAR NOESY (75, 150, 300 MS MIXING TIMES) AND DQF-COSY REMARK 210 EXPERIMENTS. 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 ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 2 O4' - C4' - C3' ANGL. DEV. = 4.7 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 3 N1 - C6 - O6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 4 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 5 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES REMARK 500 DT A 6 C4 - C5 - C7 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -6.8 DEGREES REMARK 500 DC A 8 O4' - C4' - C3' ANGL. DEV. = 5.6 DEGREES REMARK 500 DC A 8 C3' - C2' - C1' ANGL. DEV. = 10.5 DEGREES REMARK 500 DC A 8 O4' - C1' - N1 ANGL. DEV. = 10.7 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 DC B 12 O4' - C4' - C3' ANGL. DEV. = 4.7 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG B 13 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA B 15 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES REMARK 500 DT B 16 C4 - C5 - C7 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 16 C6 - C5 - C7 ANGL. DEV. = -6.8 DEGREES REMARK 500 DC B 18 O4' - C4' - C3' ANGL. DEV. = 5.6 DEGREES REMARK 500 DC B 18 C3' - C2' - C1' ANGL. DEV. = 9.4 DEGREES REMARK 500 DC B 18 O4' - C1' - N1 ANGL. DEV. = 9.9 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 8 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BX5 A 1 10 PDB 1BX5 1BX5 1 10 DBREF 1BX5 B 11 20 PDB 1BX5 1BX5 11 20 SEQRES 1 A 10 DG DC DG DA DA DT ATD DC DG DC SEQRES 1 B 10 DG DC DG DA DA DT ATD DC DG DC MODRES 1BX5 ATD A 7 DT THYMIDINE-3'-PHOSPHATE MODRES 1BX5 ATD B 17 DT THYMIDINE-3'-PHOSPHATE HET ATD A 7 32 HET ATD B 17 32 HETNAM ATD THYMIDINE-3'-PHOSPHATE FORMUL 1 ATD 2(C10 H15 N2 O8 P) LINK O3' DT A 6 P ATD A 7 1555 1555 1.61 LINK O5' ATD A 7 P DC A 8 1555 1555 1.61 LINK O3' DT B 16 P ATD B 17 1555 1555 1.60 LINK O5' ATD B 17 P DC B 18 1555 1555 1.61 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 DG O5' : rot 27:sc= 0.0134 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.055 (180deg=-0.055) USER MOD Single : A 10 DC O3' : rot 180:sc= 0 USER MOD Single : B 11 DG O5' : rot 23:sc= 0.00822 USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.0597 (180deg=-0.0597) USER MOD Single : B 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.290 -3.624 -17.853 1.00 0.00 O ATOM 2 C5' DG A 1 4.640 -3.556 -18.272 1.00 0.00 C ATOM 3 C4' DG A 1 5.486 -2.770 -17.262 1.00 0.00 C ATOM 4 O4' DG A 1 4.931 -1.474 -17.088 1.00 0.00 O ATOM 5 C3' DG A 1 5.573 -3.446 -15.888 1.00 0.00 C ATOM 6 O3' DG A 1 6.953 -3.576 -15.578 1.00 0.00 O ATOM 7 C2' DG A 1 4.802 -2.497 -14.964 1.00 0.00 C ATOM 8 C1' DG A 1 4.873 -1.158 -15.708 1.00 0.00 C ATOM 9 N9 DG A 1 3.750 -0.219 -15.501 1.00 0.00 N ATOM 10 C8 DG A 1 2.408 -0.477 -15.499 1.00 0.00 C ATOM 11 N7 DG A 1 1.658 0.569 -15.283 1.00 0.00 N ATOM 12 C5 DG A 1 2.577 1.618 -15.142 1.00 0.00 C ATOM 13 C6 DG A 1 2.405 3.021 -14.853 1.00 0.00 C ATOM 14 O6 DG A 1 1.380 3.673 -14.656 1.00 0.00 O ATOM 15 N1 DG A 1 3.601 3.710 -14.772 1.00 0.00 N ATOM 16 C2 DG A 1 4.823 3.141 -14.954 1.00 0.00 C ATOM 17 N2 DG A 1 5.876 3.903 -14.782 1.00 0.00 N ATOM 18 N3 DG A 1 5.024 1.851 -15.222 1.00 0.00 N ATOM 19 C4 DG A 1 3.861 1.138 -15.299 1.00 0.00 C ATOM 0 H5' DG A 1 4.698 -3.079 -19.250 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.042 -4.563 -18.384 1.00 0.00 H new ATOM 0 H4' DG A 1 6.495 -2.724 -17.672 1.00 0.00 H new ATOM 0 H3' DG A 1 5.148 -4.447 -15.811 1.00 0.00 H new ATOM 0 H2' DG A 1 3.772 -2.824 -14.818 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.259 -2.435 -13.977 1.00 0.00 H new ATOM 0 HO5' DG A 1 3.084 -2.852 -17.285 1.00 0.00 H new ATOM 0 H1' DG A 1 5.743 -0.634 -15.312 1.00 0.00 H new ATOM 0 H8 DG A 1 2.002 -1.464 -15.663 1.00 0.00 H new ATOM 0 H1 DG A 1 3.565 4.708 -14.563 1.00 0.00 H new ATOM 0 H21 DG A 1 6.811 3.516 -14.908 1.00 0.00 H new ATOM 0 H22 DG A 1 5.760 4.882 -14.522 1.00 0.00 H new ATOM 32 P DC A 2 7.509 -4.180 -14.184 1.00 0.00 P ATOM 33 OP1 DC A 2 8.782 -4.881 -14.456 1.00 0.00 O ATOM 34 OP2 DC A 2 6.408 -4.879 -13.484 1.00 0.00 O ATOM 35 O5' DC A 2 7.834 -2.813 -13.395 1.00 0.00 O ATOM 36 C5' DC A 2 8.878 -1.964 -13.837 1.00 0.00 C ATOM 37 C4' DC A 2 8.865 -0.638 -13.080 1.00 0.00 C ATOM 38 O4' DC A 2 7.707 0.130 -13.391 1.00 0.00 O ATOM 39 C3' DC A 2 9.034 -0.773 -11.567 1.00 0.00 C ATOM 40 O3' DC A 2 10.195 -0.085 -11.139 1.00 0.00 O ATOM 41 C2' DC A 2 7.749 -0.128 -11.130 1.00 0.00 C ATOM 42 C1' DC A 2 7.333 0.828 -12.222 1.00 0.00 C ATOM 43 N1 DC A 2 5.875 1.084 -12.126 1.00 0.00 N ATOM 44 C2 DC A 2 5.363 2.331 -11.772 1.00 0.00 C ATOM 45 O2 DC A 2 6.106 3.272 -11.500 1.00 0.00 O ATOM 46 N3 DC A 2 4.015 2.503 -11.695 1.00 0.00 N ATOM 47 C4 DC A 2 3.205 1.473 -11.910 1.00 0.00 C ATOM 48 N4 DC A 2 1.915 1.684 -11.863 1.00 0.00 N ATOM 49 C5 DC A 2 3.697 0.171 -12.197 1.00 0.00 C ATOM 50 C6 DC A 2 5.028 0.034 -12.259 1.00 0.00 C ATOM 0 H5' DC A 2 8.772 -1.777 -14.906 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.839 -2.459 -13.694 1.00 0.00 H new ATOM 0 H4' DC A 2 9.749 -0.106 -13.431 1.00 0.00 H new ATOM 0 H3' DC A 2 9.180 -1.778 -11.170 1.00 0.00 H new ATOM 0 H2' DC A 2 6.978 -0.881 -10.964 1.00 0.00 H new ATOM 0 H2'' DC A 2 7.886 0.402 -10.187 1.00 0.00 H new ATOM 0 H1' DC A 2 7.791 1.816 -12.181 1.00 0.00 H new ATOM 0 H41 DC A 2 1.266 0.914 -12.024 1.00 0.00 H new ATOM 0 H42 DC A 2 1.558 2.619 -11.666 1.00 0.00 H new ATOM 0 H5 DC A 2 3.032 -0.665 -12.357 1.00 0.00 H new ATOM 0 H6 DC A 2 5.442 -0.950 -12.421 1.00 0.00 H new ATOM 62 P DG A 3 11.100 -0.628 -9.911 1.00 0.00 P ATOM 63 OP1 DG A 3 12.423 0.030 -9.995 1.00 0.00 O ATOM 64 OP2 DG A 3 11.020 -2.104 -9.869 1.00 0.00 O ATOM 65 O5' DG A 3 10.321 -0.045 -8.627 1.00 0.00 O ATOM 66 C5' DG A 3 10.520 1.294 -8.229 1.00 0.00 C ATOM 67 C4' DG A 3 9.649 1.682 -7.040 1.00 0.00 C ATOM 68 O4' DG A 3 8.314 1.892 -7.400 1.00 0.00 O ATOM 69 C3' DG A 3 9.709 0.808 -5.802 1.00 0.00 C ATOM 70 O3' DG A 3 10.011 1.664 -4.710 1.00 0.00 O ATOM 71 C2' DG A 3 8.295 0.276 -5.735 1.00 0.00 C ATOM 72 C1' DG A 3 7.522 1.440 -6.329 1.00 0.00 C ATOM 73 N9 DG A 3 6.233 1.147 -6.938 1.00 0.00 N ATOM 74 C8 DG A 3 5.984 0.159 -7.833 1.00 0.00 C ATOM 75 N7 DG A 3 4.786 0.212 -8.359 1.00 0.00 N ATOM 76 C5 DG A 3 4.223 1.373 -7.789 1.00 0.00 C ATOM 77 C6 DG A 3 2.951 2.035 -7.956 1.00 0.00 C ATOM 78 O6 DG A 3 1.964 1.707 -8.611 1.00 0.00 O ATOM 79 N1 DG A 3 2.856 3.231 -7.263 1.00 0.00 N ATOM 80 C2 DG A 3 3.854 3.757 -6.504 1.00 0.00 C ATOM 81 N2 DG A 3 3.629 4.903 -5.907 1.00 0.00 N ATOM 82 N3 DG A 3 5.026 3.163 -6.293 1.00 0.00 N ATOM 83 C4 DG A 3 5.144 1.975 -6.958 1.00 0.00 C ATOM 0 H5' DG A 3 10.302 1.956 -9.067 1.00 0.00 H new ATOM 0 H5'' DG A 3 11.569 1.442 -7.971 1.00 0.00 H new ATOM 0 H4' DG A 3 10.121 2.617 -6.736 1.00 0.00 H new ATOM 0 H3' DG A 3 10.447 0.006 -5.799 1.00 0.00 H new ATOM 0 H2' DG A 3 8.171 -0.640 -6.313 1.00 0.00 H new ATOM 0 H2'' DG A 3 7.986 0.053 -4.714 1.00 0.00 H new ATOM 0 H1' DG A 3 7.326 2.120 -5.500 1.00 0.00 H new ATOM 0 H8 DG A 3 6.707 -0.601 -8.088 1.00 0.00 H new ATOM 0 H1 DG A 3 1.981 3.751 -7.326 1.00 0.00 H new ATOM 0 H21 DG A 3 4.354 5.328 -5.329 1.00 0.00 H new ATOM 0 H22 DG A 3 2.729 5.369 -6.020 1.00 0.00 H new ATOM 95 P DA A 4 10.529 1.159 -3.268 1.00 0.00 P ATOM 96 OP1 DA A 4 11.989 1.385 -3.187 1.00 0.00 O ATOM 97 OP2 DA A 4 9.963 -0.178 -2.987 1.00 0.00 O ATOM 98 O5' DA A 4 9.782 2.228 -2.320 1.00 0.00 O ATOM 99 C5' DA A 4 10.038 3.622 -2.415 1.00 0.00 C ATOM 100 C4' DA A 4 8.837 4.408 -1.873 1.00 0.00 C ATOM 101 O4' DA A 4 7.705 4.078 -2.645 1.00 0.00 O ATOM 102 C3' DA A 4 8.544 4.162 -0.408 1.00 0.00 C ATOM 103 O3' DA A 4 8.284 5.422 0.193 1.00 0.00 O ATOM 104 C2' DA A 4 7.336 3.256 -0.495 1.00 0.00 C ATOM 105 C1' DA A 4 6.656 3.753 -1.766 1.00 0.00 C ATOM 106 N9 DA A 4 5.838 2.726 -2.444 1.00 0.00 N ATOM 107 C8 DA A 4 6.277 1.507 -2.885 1.00 0.00 C ATOM 108 N7 DA A 4 5.387 0.800 -3.522 1.00 0.00 N ATOM 109 C5 DA A 4 4.268 1.643 -3.520 1.00 0.00 C ATOM 110 C6 DA A 4 2.970 1.551 -4.069 1.00 0.00 C ATOM 111 N6 DA A 4 2.531 0.506 -4.753 1.00 0.00 N ATOM 112 N1 DA A 4 2.105 2.563 -3.939 1.00 0.00 N ATOM 113 C2 DA A 4 2.504 3.653 -3.288 1.00 0.00 C ATOM 114 N3 DA A 4 3.691 3.885 -2.730 1.00 0.00 N ATOM 115 C4 DA A 4 4.537 2.827 -2.881 1.00 0.00 C ATOM 0 H5' DA A 4 10.226 3.897 -3.453 1.00 0.00 H new ATOM 0 H5'' DA A 4 10.935 3.876 -1.851 1.00 0.00 H new ATOM 0 H4' DA A 4 9.086 5.466 -1.950 1.00 0.00 H new ATOM 0 H3' DA A 4 9.333 3.711 0.194 1.00 0.00 H new ATOM 0 H2' DA A 4 7.618 2.206 -0.568 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.690 3.353 0.378 1.00 0.00 H new ATOM 0 H1' DA A 4 5.991 4.576 -1.505 1.00 0.00 H new ATOM 0 H8 DA A 4 7.285 1.157 -2.718 1.00 0.00 H new ATOM 0 H61 DA A 4 1.581 0.502 -5.124 1.00 0.00 H new ATOM 0 H62 DA A 4 3.143 -0.295 -4.909 1.00 0.00 H new ATOM 0 H2 DA A 4 1.776 4.446 -3.202 1.00 0.00 H new ATOM 127 P DA A 5 7.991 5.624 1.768 1.00 0.00 P ATOM 128 OP1 DA A 5 8.798 6.767 2.248 1.00 0.00 O ATOM 129 OP2 DA A 5 8.076 4.316 2.454 1.00 0.00 O ATOM 130 O5' DA A 5 6.447 6.071 1.724 1.00 0.00 O ATOM 131 C5' DA A 5 6.052 7.301 1.139 1.00 0.00 C ATOM 132 C4' DA A 5 4.527 7.427 1.181 1.00 0.00 C ATOM 133 O4' DA A 5 3.945 6.408 0.392 1.00 0.00 O ATOM 134 C3' DA A 5 3.953 7.385 2.585 1.00 0.00 C ATOM 135 O3' DA A 5 3.054 8.470 2.756 1.00 0.00 O ATOM 136 C2' DA A 5 3.328 6.029 2.587 1.00 0.00 C ATOM 137 C1' DA A 5 2.934 5.783 1.146 1.00 0.00 C ATOM 138 N9 DA A 5 2.945 4.352 0.792 1.00 0.00 N ATOM 139 C8 DA A 5 4.002 3.505 0.943 1.00 0.00 C ATOM 140 N7 DA A 5 3.826 2.302 0.477 1.00 0.00 N ATOM 141 C5 DA A 5 2.527 2.373 -0.037 1.00 0.00 C ATOM 142 C6 DA A 5 1.701 1.464 -0.730 1.00 0.00 C ATOM 143 N6 DA A 5 2.083 0.243 -1.069 1.00 0.00 N ATOM 144 N1 DA A 5 0.474 1.828 -1.117 1.00 0.00 N ATOM 145 C2 DA A 5 0.064 3.065 -0.849 1.00 0.00 C ATOM 146 N3 DA A 5 0.737 4.028 -0.223 1.00 0.00 N ATOM 147 C4 DA A 5 1.977 3.615 0.154 1.00 0.00 C ATOM 0 H5' DA A 5 6.402 7.353 0.108 1.00 0.00 H new ATOM 0 H5'' DA A 5 6.510 8.133 1.674 1.00 0.00 H new ATOM 0 H4' DA A 5 4.283 8.410 0.779 1.00 0.00 H new ATOM 0 H3' DA A 5 4.649 7.505 3.415 1.00 0.00 H new ATOM 0 H2' DA A 5 4.027 5.272 2.941 1.00 0.00 H new ATOM 0 H2'' DA A 5 2.460 5.994 3.246 1.00 0.00 H new ATOM 0 H1' DA A 5 1.926 6.156 0.966 1.00 0.00 H new ATOM 0 H8 DA A 5 4.923 3.811 1.417 1.00 0.00 H new ATOM 0 H61 DA A 5 1.441 -0.371 -1.570 1.00 0.00 H new ATOM 0 H62 DA A 5 3.019 -0.084 -0.829 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.933 3.318 -1.178 1.00 0.00 H new ATOM 159 P DT A 6 2.262 8.747 4.136 1.00 0.00 P ATOM 160 OP1 DT A 6 1.877 10.175 4.174 1.00 0.00 O ATOM 161 OP2 DT A 6 3.030 8.155 5.253 1.00 0.00 O ATOM 162 O5' DT A 6 0.934 7.866 3.914 1.00 0.00 O ATOM 163 C5' DT A 6 -0.028 8.221 2.938 1.00 0.00 C ATOM 164 C4' DT A 6 -1.188 7.224 2.915 1.00 0.00 C ATOM 165 O4' DT A 6 -0.817 6.005 2.278 1.00 0.00 O ATOM 166 C3' DT A 6 -1.712 6.881 4.317 1.00 0.00 C ATOM 167 O3' DT A 6 -3.117 7.102 4.296 1.00 0.00 O ATOM 168 C2' DT A 6 -1.267 5.442 4.472 1.00 0.00 C ATOM 169 C1' DT A 6 -1.287 4.913 3.052 1.00 0.00 C ATOM 170 N1 DT A 6 -0.490 3.679 2.867 1.00 0.00 N ATOM 171 C2 DT A 6 -1.077 2.551 2.287 1.00 0.00 C ATOM 172 O2 DT A 6 -2.213 2.541 1.828 1.00 0.00 O ATOM 173 N3 DT A 6 -0.318 1.398 2.283 1.00 0.00 N ATOM 174 C4 DT A 6 0.940 1.247 2.838 1.00 0.00 C ATOM 175 O4 DT A 6 1.502 0.161 2.757 1.00 0.00 O ATOM 176 C5 DT A 6 1.462 2.460 3.458 1.00 0.00 C ATOM 177 C7 DT A 6 2.776 2.517 4.196 1.00 0.00 C ATOM 178 C6 DT A 6 0.754 3.603 3.421 1.00 0.00 C ATOM 0 H5' DT A 6 0.443 8.257 1.956 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.409 9.221 3.146 1.00 0.00 H new ATOM 0 H4' DT A 6 -1.978 7.723 2.354 1.00 0.00 H new ATOM 0 H3' DT A 6 -1.351 7.466 5.162 1.00 0.00 H new ATOM 0 H2' DT A 6 -0.272 5.374 4.912 1.00 0.00 H new ATOM 0 H2'' DT A 6 -1.941 4.881 5.119 1.00 0.00 H new ATOM 0 H1' DT A 6 -2.284 4.591 2.751 1.00 0.00 H new ATOM 0 H3 DT A 6 -0.723 0.580 1.828 1.00 0.00 H new ATOM 0 H71 DT A 6 3.203 3.515 4.102 1.00 0.00 H new ATOM 0 H72 DT A 6 2.612 2.290 5.249 1.00 0.00 H new ATOM 0 H73 DT A 6 3.464 1.786 3.771 1.00 0.00 H new ATOM 0 H6 DT A 6 1.188 4.496 3.847 1.00 0.00 H new HETATM 191 P ATD A 7 -4.128 6.474 5.377 1.00 0.00 P HETATM 192 OP1 ATD A 7 -5.451 7.119 5.223 1.00 0.00 O HETATM 193 OP2 ATD A 7 -3.469 6.422 6.699 1.00 0.00 O HETATM 194 O5' ATD A 7 -8.444 3.779 6.545 1.00 0.00 O HETATM 195 C5' ATD A 7 -7.678 4.212 5.448 1.00 0.00 C HETATM 196 C4' ATD A 7 -6.187 3.975 5.635 1.00 0.00 C HETATM 197 O4' ATD A 7 -5.783 2.666 5.955 1.00 0.00 O HETATM 198 C3' ATD A 7 -5.399 4.357 4.403 1.00 0.00 C HETATM 199 O3' ATD A 7 -4.199 4.972 4.784 1.00 0.00 O HETATM 200 C2' ATD A 7 -5.170 3.029 3.693 1.00 0.00 C HETATM 201 C1' ATD A 7 -5.233 2.014 4.824 1.00 0.00 C HETATM 202 N1 ATD A 7 -3.846 1.540 5.049 1.00 0.00 N HETATM 203 C2 ATD A 7 -3.436 0.330 4.483 1.00 0.00 C HETATM 204 O2 ATD A 7 -4.154 -0.354 3.763 1.00 0.00 O HETATM 205 N3 ATD A 7 -2.161 -0.090 4.796 1.00 0.00 N HETATM 206 C4 ATD A 7 -1.272 0.568 5.625 1.00 0.00 C HETATM 207 O4 ATD A 7 -0.176 0.060 5.837 1.00 0.00 O HETATM 208 C5 ATD A 7 -1.758 1.852 6.133 1.00 0.00 C HETATM 209 C5M ATD A 7 -0.943 2.715 7.070 1.00 0.00 C HETATM 210 C6 ATD A 7 -2.983 2.305 5.785 1.00 0.00 C HETATM 0 H5'' ATD A 7 -8.013 3.693 4.550 1.00 0.00 H new HETATM 0 H2'' ATD A 7 -5.933 2.839 2.939 1.00 0.00 H new HETATM 0 H73 ATD A 7 -0.733 2.161 7.985 1.00 0.00 H new HETATM 0 H72 ATD A 7 -0.004 2.989 6.588 1.00 0.00 H new HETATM 0 H71 ATD A 7 -1.503 3.618 7.313 1.00 0.00 H new HETATM 0 H6 ATD A 7 -3.290 3.303 6.098 1.00 0.00 H new HETATM 0 H5' ATD A 7 -7.854 5.275 5.286 1.00 0.00 H new HETATM 0 H4' ATD A 7 -5.979 4.608 6.497 1.00 0.00 H new HETATM 0 H3' ATD A 7 -5.906 5.072 3.755 1.00 0.00 H new HETATM 0 H3 ATD A 7 -1.845 -0.965 4.378 1.00 0.00 H new HETATM 0 H2' ATD A 7 -4.206 3.005 3.184 1.00 0.00 H new HETATM 0 H1' ATD A 7 -5.861 1.151 4.603 1.00 0.00 H new ATOM 223 P DC A 8 -9.833 3.010 6.278 1.00 0.00 P ATOM 224 OP1 DC A 8 -10.604 3.745 5.250 1.00 0.00 O ATOM 225 OP2 DC A 8 -10.447 2.687 7.584 1.00 0.00 O ATOM 226 O5' DC A 8 -9.256 1.645 5.640 1.00 0.00 O ATOM 227 C5' DC A 8 -9.397 1.264 4.271 1.00 0.00 C ATOM 228 C4' DC A 8 -8.901 -0.187 4.157 1.00 0.00 C ATOM 229 O4' DC A 8 -7.490 -0.220 4.347 1.00 0.00 O ATOM 230 C3' DC A 8 -9.625 -1.023 5.195 1.00 0.00 C ATOM 231 O3' DC A 8 -10.427 -2.024 4.593 1.00 0.00 O ATOM 232 C2' DC A 8 -8.423 -1.571 5.904 1.00 0.00 C ATOM 233 C1' DC A 8 -7.142 -1.302 5.179 1.00 0.00 C ATOM 234 N1 DC A 8 -6.012 -1.148 6.124 1.00 0.00 N ATOM 235 C2 DC A 8 -4.997 -2.117 6.214 1.00 0.00 C ATOM 236 O2 DC A 8 -5.073 -3.187 5.615 1.00 0.00 O ATOM 237 N3 DC A 8 -3.901 -1.893 6.992 1.00 0.00 N ATOM 238 C4 DC A 8 -3.840 -0.776 7.701 1.00 0.00 C ATOM 239 N4 DC A 8 -2.745 -0.534 8.384 1.00 0.00 N ATOM 240 C5 DC A 8 -4.886 0.190 7.673 1.00 0.00 C ATOM 241 C6 DC A 8 -5.967 -0.050 6.913 1.00 0.00 C ATOM 0 H5' DC A 8 -8.816 1.922 3.625 1.00 0.00 H new ATOM 0 H5'' DC A 8 -10.437 1.343 3.954 1.00 0.00 H new ATOM 0 H4' DC A 8 -9.112 -0.596 3.169 1.00 0.00 H new ATOM 0 H3' DC A 8 -10.339 -0.501 5.832 1.00 0.00 H new ATOM 0 H2' DC A 8 -8.367 -1.136 6.902 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.543 -2.647 6.031 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.746 -2.107 4.560 1.00 0.00 H new ATOM 0 H41 DC A 8 -2.668 0.318 8.940 1.00 0.00 H new ATOM 0 H42 DC A 8 -1.971 -1.198 8.359 1.00 0.00 H new ATOM 0 H5 DC A 8 -4.811 1.099 8.252 1.00 0.00 H new ATOM 0 H6 DC A 8 -6.802 0.635 6.932 1.00 0.00 H new ATOM 253 P DG A 9 -11.578 -2.800 5.427 1.00 0.00 P ATOM 254 OP1 DG A 9 -12.459 -3.487 4.458 1.00 0.00 O ATOM 255 OP2 DG A 9 -12.163 -1.864 6.412 1.00 0.00 O ATOM 256 O5' DG A 9 -10.744 -3.915 6.237 1.00 0.00 O ATOM 257 C5' DG A 9 -10.307 -5.095 5.592 1.00 0.00 C ATOM 258 C4' DG A 9 -9.552 -6.020 6.545 1.00 0.00 C ATOM 259 O4' DG A 9 -8.241 -5.561 6.785 1.00 0.00 O ATOM 260 C3' DG A 9 -10.231 -6.274 7.885 1.00 0.00 C ATOM 261 O3' DG A 9 -10.360 -7.678 8.078 1.00 0.00 O ATOM 262 C2' DG A 9 -9.314 -5.606 8.874 1.00 0.00 C ATOM 263 C1' DG A 9 -7.971 -5.727 8.159 1.00 0.00 C ATOM 264 N9 DG A 9 -6.975 -4.747 8.571 1.00 0.00 N ATOM 265 C8 DG A 9 -7.173 -3.423 8.756 1.00 0.00 C ATOM 266 N7 DG A 9 -6.154 -2.780 9.248 1.00 0.00 N ATOM 267 C5 DG A 9 -5.186 -3.788 9.376 1.00 0.00 C ATOM 268 C6 DG A 9 -3.860 -3.772 9.917 1.00 0.00 C ATOM 269 O6 DG A 9 -3.223 -2.834 10.383 1.00 0.00 O ATOM 270 N1 DG A 9 -3.266 -5.020 9.937 1.00 0.00 N ATOM 271 C2 DG A 9 -3.855 -6.161 9.492 1.00 0.00 C ATOM 272 N2 DG A 9 -3.206 -7.288 9.659 1.00 0.00 N ATOM 273 N3 DG A 9 -5.083 -6.221 8.985 1.00 0.00 N ATOM 274 C4 DG A 9 -5.689 -4.998 8.951 1.00 0.00 C ATOM 0 H5' DG A 9 -9.662 -4.833 4.754 1.00 0.00 H new ATOM 0 H5'' DG A 9 -11.167 -5.623 5.179 1.00 0.00 H new ATOM 0 H4' DG A 9 -9.540 -6.972 6.014 1.00 0.00 H new ATOM 0 H3' DG A 9 -11.243 -5.879 7.976 1.00 0.00 H new ATOM 0 H2' DG A 9 -9.591 -4.568 9.057 1.00 0.00 H new ATOM 0 H2'' DG A 9 -9.313 -6.110 9.840 1.00 0.00 H new ATOM 0 H1' DG A 9 -7.539 -6.696 8.408 1.00 0.00 H new ATOM 0 H8 DG A 9 -8.106 -2.936 8.514 1.00 0.00 H new ATOM 0 H1 DG A 9 -2.320 -5.089 10.312 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.616 -8.165 9.338 1.00 0.00 H new ATOM 0 H22 DG A 9 -2.291 -7.288 10.110 1.00 0.00 H new ATOM 286 P DC A 10 -11.138 -8.327 9.342 1.00 0.00 P ATOM 287 OP1 DC A 10 -11.718 -9.620 8.914 1.00 0.00 O ATOM 288 OP2 DC A 10 -12.008 -7.294 9.947 1.00 0.00 O ATOM 289 O5' DC A 10 -9.927 -8.622 10.365 1.00 0.00 O ATOM 290 C5' DC A 10 -9.143 -9.799 10.266 1.00 0.00 C ATOM 291 C4' DC A 10 -8.010 -9.801 11.297 1.00 0.00 C ATOM 292 O4' DC A 10 -7.054 -8.806 10.988 1.00 0.00 O ATOM 293 C3' DC A 10 -8.461 -9.484 12.722 1.00 0.00 C ATOM 294 O3' DC A 10 -8.950 -10.631 13.391 1.00 0.00 O ATOM 295 C2' DC A 10 -7.172 -8.976 13.357 1.00 0.00 C ATOM 296 C1' DC A 10 -6.317 -8.525 12.168 1.00 0.00 C ATOM 297 N1 DC A 10 -5.986 -7.093 12.296 1.00 0.00 N ATOM 298 C2 DC A 10 -4.853 -6.691 13.011 1.00 0.00 C ATOM 299 O2 DC A 10 -4.054 -7.510 13.465 1.00 0.00 O ATOM 300 N3 DC A 10 -4.626 -5.371 13.228 1.00 0.00 N ATOM 301 C4 DC A 10 -5.482 -4.482 12.748 1.00 0.00 C ATOM 302 N4 DC A 10 -5.179 -3.223 12.944 1.00 0.00 N ATOM 303 C5 DC A 10 -6.648 -4.856 12.008 1.00 0.00 C ATOM 304 C6 DC A 10 -6.859 -6.174 11.809 1.00 0.00 C ATOM 0 H5' DC A 10 -8.725 -9.877 9.262 1.00 0.00 H new ATOM 0 H5'' DC A 10 -9.776 -10.674 10.416 1.00 0.00 H new ATOM 0 H4' DC A 10 -7.612 -10.815 11.251 1.00 0.00 H new ATOM 0 H3' DC A 10 -9.286 -8.773 12.767 1.00 0.00 H new ATOM 0 H2' DC A 10 -7.365 -8.152 14.044 1.00 0.00 H new ATOM 0 H2'' DC A 10 -6.675 -9.759 13.930 1.00 0.00 H new ATOM 0 HO3' DC A 10 -9.227 -10.387 14.299 1.00 0.00 H new ATOM 0 H1' DC A 10 -5.367 -9.058 12.133 1.00 0.00 H new ATOM 0 H41 DC A 10 -5.798 -2.490 12.598 1.00 0.00 H new ATOM 0 H42 DC A 10 -4.324 -2.976 13.442 1.00 0.00 H new ATOM 0 H5 DC A 10 -7.332 -4.113 11.624 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.729 -6.500 11.258 1.00 0.00 H new TER 317 DC A 10 ATOM 318 O5' DG B 11 4.818 -2.079 17.853 1.00 0.00 O ATOM 319 C5' DG B 11 5.091 -3.371 18.361 1.00 0.00 C ATOM 320 C4' DG B 11 4.542 -4.456 17.424 1.00 0.00 C ATOM 321 O4' DG B 11 3.145 -4.278 17.246 1.00 0.00 O ATOM 322 C3' DG B 11 5.199 -4.454 16.037 1.00 0.00 C ATOM 323 O3' DG B 11 5.681 -5.767 15.787 1.00 0.00 O ATOM 324 C2' DG B 11 4.067 -4.034 15.097 1.00 0.00 C ATOM 325 C1' DG B 11 2.823 -4.475 15.881 1.00 0.00 C ATOM 326 N9 DG B 11 1.575 -3.751 15.567 1.00 0.00 N ATOM 327 C8 DG B 11 1.381 -2.402 15.526 1.00 0.00 C ATOM 328 N7 DG B 11 0.172 -2.038 15.199 1.00 0.00 N ATOM 329 C5 DG B 11 -0.502 -3.252 15.013 1.00 0.00 C ATOM 330 C6 DG B 11 -1.852 -3.546 14.606 1.00 0.00 C ATOM 331 O6 DG B 11 -2.781 -2.786 14.334 1.00 0.00 O ATOM 332 N1 DG B 11 -2.100 -4.901 14.491 1.00 0.00 N ATOM 333 C2 DG B 11 -1.182 -5.872 14.751 1.00 0.00 C ATOM 334 N2 DG B 11 -1.543 -7.113 14.524 1.00 0.00 N ATOM 335 N3 DG B 11 0.069 -5.642 15.153 1.00 0.00 N ATOM 336 C4 DG B 11 0.354 -4.308 15.258 1.00 0.00 C ATOM 0 H5' DG B 11 4.645 -3.479 19.350 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.167 -3.499 18.481 1.00 0.00 H new ATOM 0 H4' DG B 11 4.769 -5.409 17.903 1.00 0.00 H new ATOM 0 H3' DG B 11 6.051 -3.785 15.920 1.00 0.00 H new ATOM 0 H2' DG B 11 4.071 -2.961 14.907 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.136 -4.529 14.128 1.00 0.00 H new ATOM 0 HO5' DG B 11 4.056 -2.124 17.238 1.00 0.00 H new ATOM 0 H1' DG B 11 2.606 -5.508 15.610 1.00 0.00 H new ATOM 0 H8 DG B 11 2.165 -1.692 15.746 1.00 0.00 H new ATOM 0 H1 DG B 11 -3.031 -5.192 14.192 1.00 0.00 H new ATOM 0 H21 DG B 11 -0.889 -7.875 14.704 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.477 -7.315 14.168 1.00 0.00 H new ATOM 349 P DC B 12 6.460 -6.180 14.431 1.00 0.00 P ATOM 350 OP1 DC B 12 7.469 -7.206 14.773 1.00 0.00 O ATOM 351 OP2 DC B 12 6.871 -4.949 13.720 1.00 0.00 O ATOM 352 O5' DC B 12 5.276 -6.882 13.589 1.00 0.00 O ATOM 353 C5' DC B 12 4.800 -8.169 13.941 1.00 0.00 C ATOM 354 C4' DC B 12 3.675 -8.622 13.009 1.00 0.00 C ATOM 355 O4' DC B 12 2.458 -7.932 13.265 1.00 0.00 O ATOM 356 C3' DC B 12 4.025 -8.567 11.524 1.00 0.00 C ATOM 357 O3' DC B 12 3.988 -9.864 10.956 1.00 0.00 O ATOM 358 C2' DC B 12 2.936 -7.645 11.046 1.00 0.00 C ATOM 359 C1' DC B 12 1.792 -7.738 12.034 1.00 0.00 C ATOM 360 N1 DC B 12 1.038 -6.459 11.999 1.00 0.00 N ATOM 361 C2 DC B 12 -0.227 -6.357 11.424 1.00 0.00 C ATOM 362 O2 DC B 12 -0.823 -7.351 11.013 1.00 0.00 O ATOM 363 N3 DC B 12 -0.809 -5.133 11.298 1.00 0.00 N ATOM 364 C4 DC B 12 -0.148 -4.047 11.683 1.00 0.00 C ATOM 365 N4 DC B 12 -0.748 -2.890 11.591 1.00 0.00 N ATOM 366 C5 DC B 12 1.164 -4.104 12.223 1.00 0.00 C ATOM 367 C6 DC B 12 1.700 -5.327 12.356 1.00 0.00 C ATOM 0 H5' DC B 12 4.440 -8.157 14.970 1.00 0.00 H new ATOM 0 H5'' DC B 12 5.620 -8.886 13.899 1.00 0.00 H new ATOM 0 H4' DC B 12 3.534 -9.677 13.246 1.00 0.00 H new ATOM 0 H3' DC B 12 5.025 -8.221 11.264 1.00 0.00 H new ATOM 0 H2' DC B 12 3.303 -6.621 10.980 1.00 0.00 H new ATOM 0 H2'' DC B 12 2.604 -7.930 10.048 1.00 0.00 H new ATOM 0 H1' DC B 12 1.068 -8.529 11.837 1.00 0.00 H new ATOM 0 H41 DC B 12 -0.264 -2.040 11.880 1.00 0.00 H new ATOM 0 H42 DC B 12 -1.701 -2.837 11.231 1.00 0.00 H new ATOM 0 H5 DC B 12 1.701 -3.212 12.511 1.00 0.00 H new ATOM 0 H6 DC B 12 2.697 -5.415 12.763 1.00 0.00 H new ATOM 379 P DG B 13 4.880 -10.250 9.661 1.00 0.00 P ATOM 380 OP1 DG B 13 4.928 -11.725 9.563 1.00 0.00 O ATOM 381 OP2 DG B 13 6.141 -9.477 9.696 1.00 0.00 O ATOM 382 O5' DG B 13 3.978 -9.687 8.455 1.00 0.00 O ATOM 383 C5' DG B 13 2.810 -10.378 8.071 1.00 0.00 C ATOM 384 C4' DG B 13 2.056 -9.658 6.960 1.00 0.00 C ATOM 385 O4' DG B 13 1.383 -8.518 7.416 1.00 0.00 O ATOM 386 C3' DG B 13 2.841 -9.310 5.709 1.00 0.00 C ATOM 387 O3' DG B 13 2.111 -9.814 4.603 1.00 0.00 O ATOM 388 C2' DG B 13 2.823 -7.799 5.740 1.00 0.00 C ATOM 389 C1' DG B 13 1.478 -7.556 6.393 1.00 0.00 C ATOM 390 N9 DG B 13 1.298 -6.271 7.049 1.00 0.00 N ATOM 391 C8 DG B 13 2.150 -5.695 7.932 1.00 0.00 C ATOM 392 N7 DG B 13 1.711 -4.559 8.415 1.00 0.00 N ATOM 393 C5 DG B 13 0.433 -4.419 7.834 1.00 0.00 C ATOM 394 C6 DG B 13 -0.595 -3.410 7.938 1.00 0.00 C ATOM 395 O6 DG B 13 -0.594 -2.330 8.524 1.00 0.00 O ATOM 396 N1 DG B 13 -1.756 -3.737 7.257 1.00 0.00 N ATOM 397 C2 DG B 13 -1.936 -4.885 6.553 1.00 0.00 C ATOM 398 N2 DG B 13 -3.096 -5.071 5.969 1.00 0.00 N ATOM 399 N3 DG B 13 -0.999 -5.813 6.386 1.00 0.00 N ATOM 400 C4 DG B 13 0.159 -5.517 7.048 1.00 0.00 C ATOM 0 H5' DG B 13 2.157 -10.493 8.936 1.00 0.00 H new ATOM 0 H5'' DG B 13 3.076 -11.381 7.737 1.00 0.00 H new ATOM 0 H4' DG B 13 1.344 -10.423 6.651 1.00 0.00 H new ATOM 0 H3' DG B 13 3.852 -9.712 5.646 1.00 0.00 H new ATOM 0 H2' DG B 13 3.647 -7.386 6.321 1.00 0.00 H new ATOM 0 H2'' DG B 13 2.886 -7.362 4.743 1.00 0.00 H new ATOM 0 H1' DG B 13 0.735 -7.599 5.596 1.00 0.00 H new ATOM 0 H8 DG B 13 3.098 -6.130 8.210 1.00 0.00 H new ATOM 0 H1 DG B 13 -2.528 -3.071 7.286 1.00 0.00 H new ATOM 0 H21 DG B 13 -3.266 -5.921 5.432 1.00 0.00 H new ATOM 0 H22 DG B 13 -3.828 -4.365 6.052 1.00 0.00 H new ATOM 412 P DA B 14 2.765 -10.110 3.159 1.00 0.00 P ATOM 413 OP1 DA B 14 3.102 -11.548 3.081 1.00 0.00 O ATOM 414 OP2 DA B 14 3.791 -9.083 2.877 1.00 0.00 O ATOM 415 O5' DA B 14 1.495 -9.816 2.214 1.00 0.00 O ATOM 416 C5' DA B 14 0.290 -10.559 2.325 1.00 0.00 C ATOM 417 C4' DA B 14 -0.883 -9.699 1.838 1.00 0.00 C ATOM 418 O4' DA B 14 -0.958 -8.548 2.648 1.00 0.00 O ATOM 419 C3' DA B 14 -0.789 -9.289 0.382 1.00 0.00 C ATOM 420 O3' DA B 14 -2.069 -9.483 -0.197 1.00 0.00 O ATOM 421 C2' DA B 14 -0.372 -7.838 0.502 1.00 0.00 C ATOM 422 C1' DA B 14 -1.046 -7.425 1.805 1.00 0.00 C ATOM 423 N9 DA B 14 -0.374 -6.311 2.497 1.00 0.00 N ATOM 424 C8 DA B 14 0.917 -6.314 2.940 1.00 0.00 C ATOM 425 N7 DA B 14 1.283 -5.238 3.579 1.00 0.00 N ATOM 426 C5 DA B 14 0.111 -4.471 3.579 1.00 0.00 C ATOM 427 C6 DA B 14 -0.242 -3.216 4.124 1.00 0.00 C ATOM 428 N6 DA B 14 0.595 -2.446 4.802 1.00 0.00 N ATOM 429 N1 DA B 14 -1.489 -2.748 4.000 1.00 0.00 N ATOM 430 C2 DA B 14 -2.381 -3.497 3.356 1.00 0.00 C ATOM 431 N3 DA B 14 -2.197 -4.691 2.794 1.00 0.00 N ATOM 432 C4 DA B 14 -0.913 -5.125 2.941 1.00 0.00 C ATOM 0 H5' DA B 14 0.129 -10.861 3.360 1.00 0.00 H new ATOM 0 H5'' DA B 14 0.357 -11.472 1.733 1.00 0.00 H new ATOM 0 H4' DA B 14 -1.782 -10.311 1.918 1.00 0.00 H new ATOM 0 H3' DA B 14 -0.097 -9.842 -0.253 1.00 0.00 H new ATOM 0 H2' DA B 14 0.711 -7.727 0.549 1.00 0.00 H new ATOM 0 H2'' DA B 14 -0.717 -7.242 -0.343 1.00 0.00 H new ATOM 0 H1' DA B 14 -2.060 -7.095 1.579 1.00 0.00 H new ATOM 0 H8 DA B 14 1.586 -7.146 2.774 1.00 0.00 H new ATOM 0 H61 DA B 14 0.278 -1.549 5.170 1.00 0.00 H new ATOM 0 H62 DA B 14 1.556 -2.750 4.956 1.00 0.00 H new ATOM 0 H2 DA B 14 -3.377 -3.086 3.280 1.00 0.00 H new ATOM 444 P DA B 15 -2.387 -9.267 -1.764 1.00 0.00 P ATOM 445 OP1 DA B 15 -3.152 -10.435 -2.251 1.00 0.00 O ATOM 446 OP2 DA B 15 -1.151 -8.845 -2.461 1.00 0.00 O ATOM 447 O5' DA B 15 -3.376 -8.003 -1.688 1.00 0.00 O ATOM 448 C5' DA B 15 -4.656 -8.100 -1.082 1.00 0.00 C ATOM 449 C4' DA B 15 -5.332 -6.728 -1.092 1.00 0.00 C ATOM 450 O4' DA B 15 -4.586 -5.829 -0.294 1.00 0.00 O ATOM 451 C3' DA B 15 -5.502 -6.153 -2.488 1.00 0.00 C ATOM 452 O3' DA B 15 -6.840 -5.707 -2.644 1.00 0.00 O ATOM 453 C2' DA B 15 -4.456 -5.084 -2.480 1.00 0.00 C ATOM 454 C1' DA B 15 -4.371 -4.650 -1.032 1.00 0.00 C ATOM 455 N9 DA B 15 -3.029 -4.145 -0.683 1.00 0.00 N ATOM 456 C8 DA B 15 -1.856 -4.816 -0.866 1.00 0.00 C ATOM 457 N7 DA B 15 -0.790 -4.212 -0.428 1.00 0.00 N ATOM 458 C5 DA B 15 -1.320 -3.032 0.101 1.00 0.00 C ATOM 459 C6 DA B 15 -0.756 -1.930 0.774 1.00 0.00 C ATOM 460 N6 DA B 15 0.531 -1.843 1.065 1.00 0.00 N ATOM 461 N1 DA B 15 -1.528 -0.916 1.180 1.00 0.00 N ATOM 462 C2 DA B 15 -2.837 -0.989 0.950 1.00 0.00 C ATOM 463 N3 DA B 15 -3.506 -1.970 0.349 1.00 0.00 N ATOM 464 C4 DA B 15 -2.682 -2.976 -0.051 1.00 0.00 C ATOM 0 H5' DA B 15 -4.559 -8.462 -0.058 1.00 0.00 H new ATOM 0 H5'' DA B 15 -5.270 -8.823 -1.619 1.00 0.00 H new ATOM 0 H4' DA B 15 -6.334 -6.865 -0.685 1.00 0.00 H new ATOM 0 H3' DA B 15 -5.365 -6.828 -3.333 1.00 0.00 H new ATOM 0 H2' DA B 15 -3.499 -5.462 -2.838 1.00 0.00 H new ATOM 0 H2'' DA B 15 -4.733 -4.253 -3.128 1.00 0.00 H new ATOM 0 H1' DA B 15 -5.086 -3.852 -0.832 1.00 0.00 H new ATOM 0 H8 DA B 15 -1.815 -5.784 -1.343 1.00 0.00 H new ATOM 0 H61 DA B 15 0.889 -1.023 1.554 1.00 0.00 H new ATOM 0 H62 DA B 15 1.166 -2.596 0.800 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.427 -0.152 1.292 1.00 0.00 H new ATOM 476 P DT B 16 -7.390 -5.037 -4.005 1.00 0.00 P ATOM 477 OP1 DT B 16 -8.865 -5.146 -4.019 1.00 0.00 O ATOM 478 OP2 DT B 16 -6.595 -5.547 -5.143 1.00 0.00 O ATOM 479 O5' DT B 16 -6.993 -3.498 -3.760 1.00 0.00 O ATOM 480 C5' DT B 16 -7.599 -2.741 -2.730 1.00 0.00 C ATOM 481 C4' DT B 16 -7.025 -1.324 -2.683 1.00 0.00 C ATOM 482 O4' DT B 16 -5.735 -1.284 -2.080 1.00 0.00 O ATOM 483 C3' DT B 16 -6.913 -0.685 -4.074 1.00 0.00 C ATOM 484 O3' DT B 16 -7.640 0.531 -4.024 1.00 0.00 O ATOM 485 C2' DT B 16 -5.412 -0.573 -4.245 1.00 0.00 C ATOM 486 C1' DT B 16 -4.892 -0.431 -2.839 1.00 0.00 C ATOM 487 N1 DT B 16 -3.452 -0.742 -2.725 1.00 0.00 N ATOM 488 C2 DT B 16 -2.574 0.202 -2.190 1.00 0.00 C ATOM 489 O2 DT B 16 -2.936 1.282 -1.738 1.00 0.00 O ATOM 490 N3 DT B 16 -1.234 -0.120 -2.231 1.00 0.00 N ATOM 491 C4 DT B 16 -0.681 -1.256 -2.796 1.00 0.00 C ATOM 492 O4 DT B 16 0.534 -1.411 -2.741 1.00 0.00 O ATOM 493 C5 DT B 16 -1.663 -2.157 -3.395 1.00 0.00 C ATOM 494 C7 DT B 16 -1.298 -3.419 -4.142 1.00 0.00 C ATOM 495 C6 DT B 16 -2.977 -1.874 -3.316 1.00 0.00 C ATOM 0 H5' DT B 16 -7.441 -3.233 -1.770 1.00 0.00 H new ATOM 0 H5'' DT B 16 -8.676 -2.696 -2.892 1.00 0.00 H new ATOM 0 H4' DT B 16 -7.734 -0.758 -2.079 1.00 0.00 H new ATOM 0 H3' DT B 16 -7.331 -1.217 -4.929 1.00 0.00 H new ATOM 0 H2' DT B 16 -5.000 -1.455 -4.735 1.00 0.00 H new ATOM 0 H2'' DT B 16 -5.144 0.287 -4.858 1.00 0.00 H new ATOM 0 H1' DT B 16 -4.932 0.595 -2.474 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.588 0.543 -1.804 1.00 0.00 H new ATOM 0 H71 DT B 16 -2.096 -4.153 -4.028 1.00 0.00 H new ATOM 0 H72 DT B 16 -1.164 -3.190 -5.199 1.00 0.00 H new ATOM 0 H73 DT B 16 -0.371 -3.826 -3.738 1.00 0.00 H new ATOM 0 H6 DT B 16 -3.684 -2.573 -3.738 1.00 0.00 H new HETATM 508 P ATD B 17 -7.463 1.691 -5.113 1.00 0.00 P HETATM 509 OP1 ATD B 17 -8.549 2.680 -4.941 1.00 0.00 O HETATM 510 OP2 ATD B 17 -7.189 1.093 -6.438 1.00 0.00 O HETATM 511 O5' ATD B 17 -6.644 6.637 -6.318 1.00 0.00 O HETATM 512 C5' ATD B 17 -6.680 5.803 -5.185 1.00 0.00 C HETATM 513 C4' ATD B 17 -5.914 4.507 -5.392 1.00 0.00 C HETATM 514 O4' ATD B 17 -4.556 4.618 -5.742 1.00 0.00 O HETATM 515 C3' ATD B 17 -5.943 3.636 -4.158 1.00 0.00 C HETATM 516 O3' ATD B 17 -6.086 2.298 -4.534 1.00 0.00 O HETATM 517 C2' ATD B 17 -4.608 3.913 -3.478 1.00 0.00 C HETATM 518 C1' ATD B 17 -3.716 4.350 -4.631 1.00 0.00 C HETATM 519 N1 ATD B 17 -2.770 3.241 -4.883 1.00 0.00 N HETATM 520 C2 ATD B 17 -1.467 3.316 -4.383 1.00 0.00 C HETATM 521 O2 ATD B 17 -1.062 4.241 -3.687 1.00 0.00 O HETATM 522 N3 ATD B 17 -0.619 2.287 -4.736 1.00 0.00 N HETATM 523 C4 ATD B 17 -0.940 1.220 -5.554 1.00 0.00 C HETATM 524 O4 ATD B 17 -0.074 0.391 -5.813 1.00 0.00 O HETATM 525 C5 ATD B 17 -2.335 1.198 -5.992 1.00 0.00 C HETATM 526 C5M ATD B 17 -2.886 0.137 -6.912 1.00 0.00 C HETATM 527 C6 ATD B 17 -3.195 2.158 -5.597 1.00 0.00 C HETATM 0 H5'' ATD B 17 -6.261 6.336 -4.332 1.00 0.00 H new HETATM 0 H2'' ATD B 17 -4.696 4.691 -2.719 1.00 0.00 H new HETATM 0 H73 ATD B 17 -2.343 0.157 -7.857 1.00 0.00 H new HETATM 0 H72 ATD B 17 -2.770 -0.843 -6.448 1.00 0.00 H new HETATM 0 H71 ATD B 17 -3.943 0.328 -7.096 1.00 0.00 H new HETATM 0 H6 ATD B 17 -4.251 2.068 -5.853 1.00 0.00 H new HETATM 0 H5' ATD B 17 -7.717 5.573 -4.940 1.00 0.00 H new HETATM 0 H4' ATD B 17 -6.447 4.079 -6.241 1.00 0.00 H new HETATM 0 H3' ATD B 17 -6.776 3.845 -3.486 1.00 0.00 H new HETATM 0 H3 ATD B 17 0.329 2.316 -4.360 1.00 0.00 H new HETATM 0 H2' ATD B 17 -4.217 3.025 -2.980 1.00 0.00 H new HETATM 0 H1' ATD B 17 -3.142 5.253 -4.422 1.00 0.00 H new ATOM 540 P DC B 18 -6.447 8.222 -6.125 1.00 0.00 P ATOM 541 OP1 DC B 18 -7.349 8.694 -5.049 1.00 0.00 O ATOM 542 OP2 DC B 18 -6.471 8.864 -7.456 1.00 0.00 O ATOM 543 O5' DC B 18 -4.926 8.226 -5.588 1.00 0.00 O ATOM 544 C5' DC B 18 -4.543 8.556 -4.255 1.00 0.00 C ATOM 545 C4' DC B 18 -3.009 8.638 -4.225 1.00 0.00 C ATOM 546 O4' DC B 18 -2.450 7.334 -4.352 1.00 0.00 O ATOM 547 C3' DC B 18 -2.546 9.556 -5.343 1.00 0.00 C ATOM 548 O3' DC B 18 -1.931 10.718 -4.819 1.00 0.00 O ATOM 549 C2' DC B 18 -1.596 8.616 -6.034 1.00 0.00 C ATOM 550 C1' DC B 18 -1.344 7.380 -5.224 1.00 0.00 C ATOM 551 N1 DC B 18 -1.100 6.221 -6.101 1.00 0.00 N ATOM 552 C2 DC B 18 0.177 5.650 -6.243 1.00 0.00 C ATOM 553 O2 DC B 18 1.166 6.127 -5.689 1.00 0.00 O ATOM 554 N3 DC B 18 0.350 4.549 -7.026 1.00 0.00 N ATOM 555 C4 DC B 18 -0.696 4.064 -7.681 1.00 0.00 C ATOM 556 N4 DC B 18 -0.529 2.967 -8.381 1.00 0.00 N ATOM 557 C5 DC B 18 -1.984 4.667 -7.586 1.00 0.00 C ATOM 558 C6 DC B 18 -2.139 5.751 -6.819 1.00 0.00 C ATOM 0 H5' DC B 18 -4.901 7.801 -3.555 1.00 0.00 H new ATOM 0 H5'' DC B 18 -4.984 9.506 -3.953 1.00 0.00 H new ATOM 0 H4' DC B 18 -2.670 9.048 -3.274 1.00 0.00 H new ATOM 0 H3' DC B 18 -3.315 9.968 -5.997 1.00 0.00 H new ATOM 0 H2' DC B 18 -2.004 8.336 -7.005 1.00 0.00 H new ATOM 0 H2'' DC B 18 -0.651 9.127 -6.220 1.00 0.00 H new ATOM 0 H1' DC B 18 -0.433 7.374 -4.626 1.00 0.00 H new ATOM 0 H41 DC B 18 -1.313 2.567 -8.897 1.00 0.00 H new ATOM 0 H42 DC B 18 0.385 2.514 -8.409 1.00 0.00 H new ATOM 0 H5 DC B 18 -2.823 4.254 -8.126 1.00 0.00 H new ATOM 0 H6 DC B 18 -3.096 6.250 -6.775 1.00 0.00 H new ATOM 570 P DG B 19 -1.616 12.002 -5.750 1.00 0.00 P ATOM 571 OP1 DG B 19 -1.300 13.147 -4.868 1.00 0.00 O ATOM 572 OP2 DG B 19 -2.681 12.129 -6.770 1.00 0.00 O ATOM 573 O5' DG B 19 -0.266 11.541 -6.489 1.00 0.00 O ATOM 574 C5' DG B 19 0.936 11.419 -5.759 1.00 0.00 C ATOM 575 C4' DG B 19 2.078 10.914 -6.636 1.00 0.00 C ATOM 576 O4' DG B 19 1.999 9.531 -6.902 1.00 0.00 O ATOM 577 C3' DG B 19 2.247 11.654 -7.954 1.00 0.00 C ATOM 578 O3' DG B 19 3.574 12.158 -8.041 1.00 0.00 O ATOM 579 C2' DG B 19 1.925 10.606 -8.983 1.00 0.00 C ATOM 580 C1' DG B 19 2.343 9.332 -8.257 1.00 0.00 C ATOM 581 N9 DG B 19 1.705 8.116 -8.744 1.00 0.00 N ATOM 582 C8 DG B 19 0.389 7.936 -8.987 1.00 0.00 C ATOM 583 N7 DG B 19 0.084 6.799 -9.544 1.00 0.00 N ATOM 584 C5 DG B 19 1.332 6.172 -9.669 1.00 0.00 C ATOM 585 C6 DG B 19 1.722 4.936 -10.281 1.00 0.00 C ATOM 586 O6 DG B 19 1.027 4.088 -10.832 1.00 0.00 O ATOM 587 N1 DG B 19 3.090 4.739 -10.277 1.00 0.00 N ATOM 588 C2 DG B 19 3.995 5.608 -9.751 1.00 0.00 C ATOM 589 N2 DG B 19 5.269 5.347 -9.913 1.00 0.00 N ATOM 590 N3 DG B 19 3.676 6.760 -9.172 1.00 0.00 N ATOM 591 C4 DG B 19 2.329 6.979 -9.163 1.00 0.00 C ATOM 0 H5' DG B 19 0.787 10.734 -4.924 1.00 0.00 H new ATOM 0 H5'' DG B 19 1.204 12.386 -5.334 1.00 0.00 H new ATOM 0 H4' DG B 19 2.958 11.121 -6.026 1.00 0.00 H new ATOM 0 H3' DG B 19 1.607 12.527 -8.081 1.00 0.00 H new ATOM 0 H2' DG B 19 0.867 10.600 -9.246 1.00 0.00 H new ATOM 0 H2'' DG B 19 2.483 10.753 -9.908 1.00 0.00 H new ATOM 0 H1' DG B 19 3.409 9.174 -8.423 1.00 0.00 H new ATOM 0 H8 DG B 19 -0.354 8.679 -8.738 1.00 0.00 H new ATOM 0 H1 DG B 19 3.446 3.881 -10.698 1.00 0.00 H new ATOM 0 H21 DG B 19 5.972 5.979 -9.530 1.00 0.00 H new ATOM 0 H22 DG B 19 5.558 4.511 -10.422 1.00 0.00 H new ATOM 603 P DC B 20 4.057 13.153 -9.223 1.00 0.00 P ATOM 604 OP1 DC B 20 5.132 14.018 -8.686 1.00 0.00 O ATOM 605 OP2 DC B 20 2.862 13.766 -9.844 1.00 0.00 O ATOM 606 O5' DC B 20 4.704 12.133 -10.292 1.00 0.00 O ATOM 607 C5' DC B 20 6.060 11.727 -10.211 1.00 0.00 C ATOM 608 C4' DC B 20 6.407 10.720 -11.313 1.00 0.00 C ATOM 609 O4' DC B 20 5.762 9.483 -11.083 1.00 0.00 O ATOM 610 C3' DC B 20 5.954 11.142 -12.710 1.00 0.00 C ATOM 611 O3' DC B 20 6.881 12.013 -13.330 1.00 0.00 O ATOM 612 C2' DC B 20 5.872 9.807 -13.438 1.00 0.00 C ATOM 613 C1' DC B 20 5.716 8.777 -12.314 1.00 0.00 C ATOM 614 N1 DC B 20 4.456 8.028 -12.488 1.00 0.00 N ATOM 615 C2 DC B 20 4.422 6.892 -13.303 1.00 0.00 C ATOM 616 O2 DC B 20 5.447 6.435 -13.807 1.00 0.00 O ATOM 617 N3 DC B 20 3.239 6.280 -13.561 1.00 0.00 N ATOM 618 C4 DC B 20 2.129 6.775 -13.032 1.00 0.00 C ATOM 619 N4 DC B 20 1.032 6.100 -13.270 1.00 0.00 N ATOM 620 C5 DC B 20 2.126 7.936 -12.193 1.00 0.00 C ATOM 621 C6 DC B 20 3.314 8.528 -11.949 1.00 0.00 C ATOM 0 H5' DC B 20 6.251 11.281 -9.235 1.00 0.00 H new ATOM 0 H5'' DC B 20 6.709 12.599 -10.295 1.00 0.00 H new ATOM 0 H4' DC B 20 7.494 10.655 -11.277 1.00 0.00 H new ATOM 0 H3' DC B 20 5.019 11.702 -12.708 1.00 0.00 H new ATOM 0 H2' DC B 20 5.026 9.779 -14.125 1.00 0.00 H new ATOM 0 H2'' DC B 20 6.769 9.619 -14.029 1.00 0.00 H new ATOM 0 HO3' DC B 20 6.555 12.257 -14.221 1.00 0.00 H new ATOM 0 H1' DC B 20 6.518 8.039 -12.331 1.00 0.00 H new ATOM 0 H41 DC B 20 0.142 6.425 -12.893 1.00 0.00 H new ATOM 0 H42 DC B 20 1.068 5.250 -13.832 1.00 0.00 H new ATOM 0 H5 DC B 20 1.209 8.322 -11.772 1.00 0.00 H new ATOM 0 H6 DC B 20 3.357 9.405 -11.321 1.00 0.00 H new TER 634 DC B 20 CONECT 167 191 CONECT 191 167 192 193 199 CONECT 192 191 CONECT 193 191 CONECT 194 195 223 CONECT 195 194 196 211 212 CONECT 196 195 197 198 213 CONECT 197 196 201 CONECT 198 196 199 200 214 CONECT 199 191 198 CONECT 200 198 201 215 216 CONECT 201 197 200 202 217 CONECT 202 201 203 210 CONECT 203 202 204 205 CONECT 204 203 CONECT 205 203 206 218 CONECT 206 205 207 208 CONECT 207 206 CONECT 208 206 209 210 CONECT 209 208 219 220 221 CONECT 210 202 208 222 CONECT 211 195 CONECT 212 195 CONECT 213 196 CONECT 214 198 CONECT 215 200 CONECT 216 200 CONECT 217 201 CONECT 218 205 CONECT 219 209 CONECT 220 209 CONECT 221 209 CONECT 222 210 CONECT 223 194 CONECT 484 508 CONECT 508 484 509 510 516 CONECT 509 508 CONECT 510 508 CONECT 511 512 540 CONECT 512 511 513 528 529 CONECT 513 512 514 515 530 CONECT 514 513 518 CONECT 515 513 516 517 531 CONECT 516 508 515 CONECT 517 515 518 532 533 CONECT 518 514 517 519 534 CONECT 519 518 520 527 CONECT 520 519 521 522 CONECT 521 520 CONECT 522 520 523 535 CONECT 523 522 524 525 CONECT 524 523 CONECT 525 523 526 527 CONECT 526 525 536 537 538 CONECT 527 519 525 539 CONECT 528 512 CONECT 529 512 CONECT 530 513 CONECT 531 515 CONECT 532 517 CONECT 533 517 CONECT 534 518 CONECT 535 522 CONECT 536 526 CONECT 537 526 CONECT 538 526 CONECT 539 527 CONECT 540 511 END