USER MOD reduce.3.24.130724 H: found=0, std=0, add=191, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 191 hydrogens (85 hets) HEADER DNA 25-SEP-01 1K1H TITLE HETERODUPLEX OF CHIRALLY PURE METHYLPHOSPHONATE/DNA DUPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*GP*TP*TP*TP*GP*GP*C)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*CP*(CMR)P*(RMP)P*(RMP)P*(SMP)P*(CMR) COMPND 7 P*(RMP))-3'; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS METHYL PHOSPHONATE, ANTI SENSE, DNA EXPDTA SOLUTION NMR AUTHOR V.THIVIYANATHAN,K.V.VYAZOVKINA,E.K.GOZANSKY,E.BICHENCHOVA, AUTHOR 2 T.V.ABRAMOVA,B.A.LUXON,A.V.LEBEDEV,D.G.GORENSTEIN REVDAT 3 24-FEB-09 1K1H 1 VERSN REVDAT 2 01-APR-03 1K1H 1 JRNL REVDAT 1 19-JUN-02 1K1H 0 JRNL AUTH V.THIVIYANATHAN,K.V.VYAZOVKINA,E.K.GOZANSKY, JRNL AUTH 2 E.BICHENCHOVA,T.V.ABRAMOVA,B.A.LUXON,A.V.LEBEDEV, JRNL AUTH 3 D.G.GORENSTEIN JRNL TITL STRUCTURE OF HYBRID BACKBONE METHYLPHOSPHONATE DNA JRNL TITL 2 HETERODUPLEXES: EFFECT OF R AND S STEREOCHEMISTRY. JRNL REF BIOCHEMISTRY V. 41 827 2002 JRNL REFN ISSN 0006-2960 JRNL PMID 11790104 JRNL DOI 10.1021/BI011551K REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : UCSF REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NO DIHEDRAL RESTRAINTS WERE USED. REMARK 4 REMARK 4 1K1H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-OCT-01. REMARK 100 THE RCSB ID CODE IS RCSB014441. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : DNA, 100 MM NACL, 10 MM REMARK 210 PHOSPHATE, 0.1 MM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 600 MHZ, 400 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 5.1, MORASS 2.1 REMARK 210 METHOD USED : MOLECULAR DYNAMICS MATRIX REMARK 210 RELAXATION 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 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 DT A 1 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES REMARK 500 DT A 1 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT A 4 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DT A 4 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 5 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 8 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC B 9 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 7 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1K1R RELATED DB: PDB REMARK 900 HETERODUPLEX OF CHIRALLY PURE R-METHYLPHOSPHONATE / DNA REMARK 900 DUPLEX DBREF 1K1H A 1 8 PDB 1K1H 1K1H 1 8 DBREF 1K1H B 9 15 PDB 1K1H 1K1H 9 15 SEQRES 1 A 8 DT DG DT DT DT DG DG DC SEQRES 1 B 7 DC CMR RMP RMP SMP CMR RMP MODRES 1K1H CMR B 10 DC MODRES 1K1H RMP B 11 DA MODRES 1K1H RMP B 12 DA MODRES 1K1H SMP B 13 DA MODRES 1K1H CMR B 14 DC MODRES 1K1H RMP B 15 DA HET CMR B 10 33 HET RMP B 11 35 HET RMP B 12 35 HET SMP B 13 35 HET CMR B 14 33 HET RMP B 15 36 HETNAM CMR 2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE HETNAM RMP 2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE HETNAM SMP 2'-DEOXY-ADENOSINE-5'-SP-MONOMETHYLPHOSPHONATE FORMUL 2 CMR 2(C10 H16 N3 O6 P) FORMUL 2 RMP 3(C11 H16 N5 O5 P) FORMUL 2 SMP C11 H16 N5 O5 P LINK O3' DC B 9 P CMR B 10 1555 1555 1.60 LINK O3' CMR B 10 P RMP B 11 1555 1555 1.61 LINK O3' RMP B 11 P RMP B 12 1555 1555 1.59 LINK O3' RMP B 12 P SMP B 13 1555 1555 1.59 LINK O3' SMP B 13 P CMR B 14 1555 1555 1.60 LINK O3' CMR B 14 P RMP B 15 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 Set 1.1: A 3 DT C7 :methyl -30:sc= -0.139 (180deg=-0.698) USER MOD Set 1.2: A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.3: A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 RMP O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 1.273 -11.906 -14.386 1.00 10.00 O ATOM 2 C5' DT A 1 1.212 -11.388 -13.106 1.00 10.00 C ATOM 3 C4' DT A 1 2.144 -10.221 -12.889 1.00 10.00 C ATOM 4 O4' DT A 1 1.749 -9.132 -13.664 1.00 10.00 O ATOM 5 C3' DT A 1 2.139 -9.756 -11.464 1.00 10.00 C ATOM 6 O3' DT A 1 3.017 -10.545 -10.677 1.00 10.00 O ATOM 7 C2' DT A 1 2.550 -8.307 -11.637 1.00 10.00 C ATOM 8 C1' DT A 1 2.418 -8.008 -13.116 1.00 10.00 C ATOM 9 N1 DT A 1 1.693 -6.724 -13.321 1.00 10.00 N ATOM 10 C2 DT A 1 2.391 -5.521 -13.270 1.00 10.00 C ATOM 11 O2 DT A 1 3.582 -5.491 -13.033 1.00 10.00 O ATOM 12 N3 DT A 1 1.661 -4.363 -13.423 1.00 10.00 N ATOM 13 C4 DT A 1 0.311 -4.291 -13.589 1.00 10.00 C ATOM 14 O4 DT A 1 -0.207 -3.192 -13.673 1.00 10.00 O ATOM 15 C5 DT A 1 -0.365 -5.580 -13.631 1.00 10.00 C ATOM 16 C7 DT A 1 -1.851 -5.652 -13.831 1.00 10.00 C ATOM 17 C6 DT A 1 0.335 -6.729 -13.502 1.00 10.00 C ATOM 0 H5' DT A 1 1.454 -12.175 -12.391 1.00 10.00 H new ATOM 0 H5'' DT A 1 0.190 -11.071 -12.898 1.00 10.00 H new ATOM 0 H4' DT A 1 3.139 -10.571 -13.165 1.00 10.00 H new ATOM 0 H3' DT A 1 1.196 -9.850 -10.926 1.00 10.00 H new ATOM 0 H2' DT A 1 1.913 -7.648 -11.048 1.00 10.00 H new ATOM 0 H2'' DT A 1 3.573 -8.149 -11.297 1.00 10.00 H new ATOM 0 HO5' DT A 1 0.650 -12.658 -14.465 1.00 10.00 H new ATOM 0 H1' DT A 1 3.377 -7.868 -13.614 1.00 10.00 H new ATOM 0 H3 DT A 1 2.176 -3.483 -13.411 1.00 10.00 H new ATOM 0 H71 DT A 1 -2.104 -6.577 -14.348 1.00 10.00 H new ATOM 0 H72 DT A 1 -2.350 -5.630 -12.862 1.00 10.00 H new ATOM 0 H73 DT A 1 -2.179 -4.801 -14.428 1.00 10.00 H new ATOM 0 H6 DT A 1 -0.188 -7.673 -13.543 1.00 10.00 H new ATOM 31 P DG A 2 3.133 -10.418 -9.097 1.00 10.00 P ATOM 32 OP1 DG A 2 3.626 -11.694 -8.573 1.00 10.00 O ATOM 33 OP2 DG A 2 1.856 -9.927 -8.570 1.00 10.00 O ATOM 34 O5' DG A 2 4.217 -9.288 -8.872 1.00 10.00 O ATOM 35 C5' DG A 2 5.540 -9.432 -9.332 1.00 10.00 C ATOM 36 C4' DG A 2 6.344 -8.132 -9.191 1.00 10.00 C ATOM 37 O4' DG A 2 5.728 -7.035 -9.852 1.00 10.00 O ATOM 38 C3' DG A 2 6.512 -7.774 -7.719 1.00 10.00 C ATOM 39 O3' DG A 2 7.832 -7.342 -7.490 1.00 10.00 O ATOM 40 C2' DG A 2 5.455 -6.713 -7.539 1.00 10.00 C ATOM 41 C1' DG A 2 5.372 -6.052 -8.907 1.00 10.00 C ATOM 42 N9 DG A 2 4.017 -5.527 -9.154 1.00 10.00 N ATOM 43 C8 DG A 2 2.834 -6.217 -9.099 1.00 10.00 C ATOM 44 N7 DG A 2 1.786 -5.505 -9.393 1.00 10.00 N ATOM 45 C5 DG A 2 2.307 -4.238 -9.614 1.00 10.00 C ATOM 46 C6 DG A 2 1.641 -3.009 -9.896 1.00 10.00 C ATOM 47 O6 DG A 2 0.441 -2.822 -10.059 1.00 10.00 O ATOM 48 N1 DG A 2 2.499 -1.936 -9.964 1.00 10.00 N ATOM 49 C2 DG A 2 3.862 -2.036 -9.837 1.00 10.00 C ATOM 50 N2 DG A 2 4.567 -0.937 -9.910 1.00 10.00 N ATOM 51 N3 DG A 2 4.510 -3.173 -9.594 1.00 10.00 N ATOM 52 C4 DG A 2 3.671 -4.239 -9.480 1.00 10.00 C ATOM 0 H5' DG A 2 5.529 -9.739 -10.378 1.00 10.00 H new ATOM 0 H5'' DG A 2 6.034 -10.226 -8.772 1.00 10.00 H new ATOM 0 H4' DG A 2 7.312 -8.315 -9.658 1.00 10.00 H new ATOM 0 H3' DG A 2 6.379 -8.585 -7.003 1.00 10.00 H new ATOM 0 H2' DG A 2 4.499 -7.146 -7.245 1.00 10.00 H new ATOM 0 H2'' DG A 2 5.733 -5.998 -6.765 1.00 10.00 H new ATOM 0 H1' DG A 2 6.046 -5.198 -8.974 1.00 10.00 H new ATOM 0 H8 DG A 2 2.777 -7.262 -8.834 1.00 10.00 H new ATOM 0 H1 DG A 2 2.098 -1.011 -10.118 1.00 10.00 H new ATOM 0 H21 DG A 2 5.582 -0.975 -9.820 1.00 10.00 H new ATOM 0 H22 DG A 2 4.102 -0.041 -10.057 1.00 10.00 H new ATOM 64 P DT A 3 8.428 -6.869 -6.093 1.00 10.00 P ATOM 65 OP1 DT A 3 9.849 -7.199 -6.112 1.00 10.00 O ATOM 66 OP2 DT A 3 7.622 -7.404 -4.996 1.00 10.00 O ATOM 67 O5' DT A 3 8.263 -5.293 -6.094 1.00 10.00 O ATOM 68 C5' DT A 3 8.965 -4.474 -6.993 1.00 10.00 C ATOM 69 C4' DT A 3 8.661 -2.991 -6.808 1.00 10.00 C ATOM 70 O4' DT A 3 7.333 -2.703 -7.183 1.00 10.00 O ATOM 71 C3' DT A 3 8.844 -2.563 -5.351 1.00 10.00 C ATOM 72 O3' DT A 3 9.674 -1.419 -5.314 1.00 10.00 O ATOM 73 C2' DT A 3 7.404 -2.339 -4.895 1.00 10.00 C ATOM 74 C1' DT A 3 6.735 -1.916 -6.190 1.00 10.00 C ATOM 75 N1 DT A 3 5.278 -2.186 -6.212 1.00 10.00 N ATOM 76 C2 DT A 3 4.389 -1.158 -6.515 1.00 10.00 C ATOM 77 O2 DT A 3 4.742 -0.021 -6.790 1.00 10.00 O ATOM 78 N3 DT A 3 3.062 -1.499 -6.563 1.00 10.00 N ATOM 79 C4 DT A 3 2.527 -2.742 -6.288 1.00 10.00 C ATOM 80 O4 DT A 3 1.334 -2.931 -6.381 1.00 10.00 O ATOM 81 C5 DT A 3 3.496 -3.728 -5.870 1.00 10.00 C ATOM 82 C7 DT A 3 3.036 -5.090 -5.439 1.00 10.00 C ATOM 83 C6 DT A 3 4.818 -3.427 -5.863 1.00 10.00 C ATOM 0 H5' DT A 3 8.716 -4.766 -8.013 1.00 10.00 H new ATOM 0 H5'' DT A 3 10.035 -4.639 -6.867 1.00 10.00 H new ATOM 0 H4' DT A 3 9.359 -2.444 -7.441 1.00 10.00 H new ATOM 0 H3' DT A 3 9.343 -3.273 -4.692 1.00 10.00 H new ATOM 0 H2' DT A 3 6.960 -3.244 -4.481 1.00 10.00 H new ATOM 0 H2'' DT A 3 7.333 -1.569 -4.127 1.00 10.00 H new ATOM 0 H1' DT A 3 6.856 -0.841 -6.326 1.00 10.00 H new ATOM 0 H3 DT A 3 2.407 -0.764 -6.827 1.00 10.00 H new ATOM 0 H71 DT A 3 2.041 -5.016 -5.001 1.00 10.00 H new ATOM 0 H72 DT A 3 3.003 -5.753 -6.303 1.00 10.00 H new ATOM 0 H73 DT A 3 3.729 -5.491 -4.700 1.00 10.00 H new ATOM 0 H6 DT A 3 5.528 -4.188 -5.574 1.00 10.00 H new ATOM 96 P DT A 4 10.175 -0.745 -3.966 1.00 10.00 P ATOM 97 OP1 DT A 4 11.300 0.150 -4.294 1.00 10.00 O ATOM 98 OP2 DT A 4 10.377 -1.763 -2.929 1.00 10.00 O ATOM 99 O5' DT A 4 8.948 0.144 -3.540 1.00 10.00 O ATOM 100 C5' DT A 4 8.476 1.155 -4.417 1.00 10.00 C ATOM 101 C4' DT A 4 7.188 1.787 -3.893 1.00 10.00 C ATOM 102 O4' DT A 4 6.078 0.977 -4.158 1.00 10.00 O ATOM 103 C3' DT A 4 7.125 2.126 -2.408 1.00 10.00 C ATOM 104 O3' DT A 4 7.177 3.535 -2.318 1.00 10.00 O ATOM 105 C2' DT A 4 5.791 1.521 -1.988 1.00 10.00 C ATOM 106 C1' DT A 4 5.049 1.381 -3.304 1.00 10.00 C ATOM 107 N1 DT A 4 3.968 0.367 -3.254 1.00 10.00 N ATOM 108 C2 DT A 4 2.643 0.749 -3.449 1.00 10.00 C ATOM 109 O2 DT A 4 2.294 1.887 -3.723 1.00 10.00 O ATOM 110 N3 DT A 4 1.696 -0.246 -3.327 1.00 10.00 N ATOM 111 C4 DT A 4 1.931 -1.548 -2.982 1.00 10.00 C ATOM 112 O4 DT A 4 0.985 -2.315 -2.871 1.00 10.00 O ATOM 113 C5 DT A 4 3.332 -1.878 -2.788 1.00 10.00 C ATOM 114 C7 DT A 4 3.742 -3.261 -2.341 1.00 10.00 C ATOM 115 C6 DT A 4 4.285 -0.934 -2.960 1.00 10.00 C ATOM 0 H5' DT A 4 8.299 0.729 -5.405 1.00 10.00 H new ATOM 0 H5'' DT A 4 9.240 1.924 -4.534 1.00 10.00 H new ATOM 0 H4' DT A 4 7.177 2.733 -4.435 1.00 10.00 H new ATOM 0 H3' DT A 4 7.925 1.747 -1.771 1.00 10.00 H new ATOM 0 H2' DT A 4 5.922 0.558 -1.495 1.00 10.00 H new ATOM 0 H2'' DT A 4 5.257 2.166 -1.291 1.00 10.00 H new ATOM 0 H1' DT A 4 4.534 2.294 -3.604 1.00 10.00 H new ATOM 0 H3 DT A 4 0.727 0.014 -3.512 1.00 10.00 H new ATOM 0 H71 DT A 4 4.728 -3.495 -2.742 1.00 10.00 H new ATOM 0 H72 DT A 4 3.775 -3.297 -1.252 1.00 10.00 H new ATOM 0 H73 DT A 4 3.019 -3.991 -2.706 1.00 10.00 H new ATOM 0 H6 DT A 4 5.324 -1.213 -2.863 1.00 10.00 H new ATOM 128 P DT A 5 7.080 4.352 -0.952 1.00 10.00 P ATOM 129 OP1 DT A 5 7.732 5.645 -1.213 1.00 10.00 O ATOM 130 OP2 DT A 5 7.563 3.518 0.157 1.00 10.00 O ATOM 131 O5' DT A 5 5.531 4.600 -0.737 1.00 10.00 O ATOM 132 C5' DT A 5 4.743 5.109 -1.785 1.00 10.00 C ATOM 133 C4' DT A 5 3.266 5.175 -1.464 1.00 10.00 C ATOM 134 O4' DT A 5 2.778 3.862 -1.565 1.00 10.00 O ATOM 135 C3' DT A 5 2.894 5.684 -0.077 1.00 10.00 C ATOM 136 O3' DT A 5 2.453 7.034 -0.095 1.00 10.00 O ATOM 137 C2' DT A 5 1.823 4.704 0.370 1.00 10.00 C ATOM 138 C1' DT A 5 1.593 3.782 -0.813 1.00 10.00 C ATOM 139 N1 DT A 5 1.376 2.393 -0.378 1.00 10.00 N ATOM 140 C2 DT A 5 0.074 1.920 -0.337 1.00 10.00 C ATOM 141 O2 DT A 5 -0.908 2.630 -0.524 1.00 10.00 O ATOM 142 N3 DT A 5 -0.072 0.594 -0.040 1.00 10.00 N ATOM 143 C4 DT A 5 0.940 -0.286 0.288 1.00 10.00 C ATOM 144 O4 DT A 5 0.675 -1.469 0.486 1.00 10.00 O ATOM 145 C5 DT A 5 2.265 0.305 0.321 1.00 10.00 C ATOM 146 C7 DT A 5 3.478 -0.525 0.658 1.00 10.00 C ATOM 147 C6 DT A 5 2.445 1.599 -0.021 1.00 10.00 C ATOM 0 H5' DT A 5 4.885 4.487 -2.669 1.00 10.00 H new ATOM 0 H5'' DT A 5 5.095 6.109 -2.039 1.00 10.00 H new ATOM 0 H4' DT A 5 2.837 5.894 -2.162 1.00 10.00 H new ATOM 0 H3' DT A 5 3.739 5.715 0.611 1.00 10.00 H new ATOM 0 H2' DT A 5 2.147 4.143 1.247 1.00 10.00 H new ATOM 0 H2'' DT A 5 0.906 5.225 0.645 1.00 10.00 H new ATOM 0 H1' DT A 5 0.708 4.074 -1.378 1.00 10.00 H new ATOM 0 H3 DT A 5 -1.020 0.218 -0.063 1.00 10.00 H new ATOM 0 H71 DT A 5 4.350 -0.119 0.146 1.00 10.00 H new ATOM 0 H72 DT A 5 3.647 -0.503 1.735 1.00 10.00 H new ATOM 0 H73 DT A 5 3.315 -1.554 0.338 1.00 10.00 H new ATOM 0 H6 DT A 5 3.440 2.018 -0.015 1.00 10.00 H new ATOM 160 P DG A 6 2.274 7.916 1.228 1.00 10.00 P ATOM 161 OP1 DG A 6 2.238 9.322 0.820 1.00 10.00 O ATOM 162 OP2 DG A 6 3.278 7.499 2.207 1.00 10.00 O ATOM 163 O5' DG A 6 0.829 7.508 1.791 1.00 10.00 O ATOM 164 C5' DG A 6 -0.338 7.864 1.073 1.00 10.00 C ATOM 165 C4' DG A 6 -1.678 7.379 1.626 1.00 10.00 C ATOM 166 O4' DG A 6 -1.798 5.970 1.496 1.00 10.00 O ATOM 167 C3' DG A 6 -1.992 7.724 3.077 1.00 10.00 C ATOM 168 O3' DG A 6 -3.356 8.078 3.143 1.00 10.00 O ATOM 169 C2' DG A 6 -1.732 6.415 3.777 1.00 10.00 C ATOM 170 C1' DG A 6 -2.229 5.439 2.721 1.00 10.00 C ATOM 171 N9 DG A 6 -1.692 4.074 2.901 1.00 10.00 N ATOM 172 C8 DG A 6 -0.374 3.718 2.992 1.00 10.00 C ATOM 173 N7 DG A 6 -0.169 2.430 3.043 1.00 10.00 N ATOM 174 C5 DG A 6 -1.451 1.898 3.040 1.00 10.00 C ATOM 175 C6 DG A 6 -1.895 0.543 3.119 1.00 10.00 C ATOM 176 O6 DG A 6 -1.234 -0.473 3.255 1.00 10.00 O ATOM 177 N1 DG A 6 -3.270 0.433 3.111 1.00 10.00 N ATOM 178 C2 DG A 6 -4.135 1.493 2.996 1.00 10.00 C ATOM 179 N2 DG A 6 -5.421 1.239 2.938 1.00 10.00 N ATOM 180 N3 DG A 6 -3.746 2.760 2.901 1.00 10.00 N ATOM 181 C4 DG A 6 -2.393 2.902 2.967 1.00 10.00 C ATOM 0 H5' DG A 6 -0.236 7.486 0.056 1.00 10.00 H new ATOM 0 H5'' DG A 6 -0.374 8.951 1.007 1.00 10.00 H new ATOM 0 H4' DG A 6 -2.395 7.928 1.016 1.00 10.00 H new ATOM 0 H3' DG A 6 -1.419 8.546 3.506 1.00 10.00 H new ATOM 0 H2' DG A 6 -0.677 6.272 4.012 1.00 10.00 H new ATOM 0 H2'' DG A 6 -2.282 6.329 4.714 1.00 10.00 H new ATOM 0 H1' DG A 6 -3.312 5.334 2.783 1.00 10.00 H new ATOM 0 H8 DG A 6 0.428 4.441 3.019 1.00 10.00 H new ATOM 0 H1 DG A 6 -3.672 -0.501 3.196 1.00 10.00 H new ATOM 0 H21 DG A 6 -6.089 2.005 2.852 1.00 10.00 H new ATOM 0 H22 DG A 6 -5.753 0.275 2.978 1.00 10.00 H new ATOM 193 P DG A 7 -4.021 8.821 4.373 1.00 10.00 P ATOM 194 OP1 DG A 7 -4.952 9.800 3.817 1.00 10.00 O ATOM 195 OP2 DG A 7 -2.965 9.314 5.256 1.00 10.00 O ATOM 196 O5' DG A 7 -4.841 7.745 5.172 1.00 10.00 O ATOM 197 C5' DG A 7 -6.154 7.407 4.795 1.00 10.00 C ATOM 198 C4' DG A 7 -6.755 6.278 5.626 1.00 10.00 C ATOM 199 O4' DG A 7 -6.032 5.079 5.382 1.00 10.00 O ATOM 200 C3' DG A 7 -6.766 6.499 7.136 1.00 10.00 C ATOM 201 O3' DG A 7 -7.962 5.905 7.637 1.00 10.00 O ATOM 202 C2' DG A 7 -5.499 5.781 7.557 1.00 10.00 C ATOM 203 C1' DG A 7 -5.575 4.579 6.632 1.00 10.00 C ATOM 204 N9 DG A 7 -4.314 3.841 6.486 1.00 10.00 N ATOM 205 C8 DG A 7 -3.036 4.299 6.573 1.00 10.00 C ATOM 206 N7 DG A 7 -2.128 3.372 6.524 1.00 10.00 N ATOM 207 C5 DG A 7 -2.867 2.207 6.450 1.00 10.00 C ATOM 208 C6 DG A 7 -2.465 0.839 6.478 1.00 10.00 C ATOM 209 O6 DG A 7 -1.332 0.413 6.568 1.00 10.00 O ATOM 210 N1 DG A 7 -3.516 -0.040 6.421 1.00 10.00 N ATOM 211 C2 DG A 7 -4.828 0.337 6.350 1.00 10.00 C ATOM 212 N2 DG A 7 -5.715 -0.622 6.260 1.00 10.00 N ATOM 213 N3 DG A 7 -5.239 1.602 6.341 1.00 10.00 N ATOM 214 C4 DG A 7 -4.204 2.488 6.402 1.00 10.00 C ATOM 0 H5' DG A 7 -6.158 7.116 3.745 1.00 10.00 H new ATOM 0 H5'' DG A 7 -6.787 8.290 4.884 1.00 10.00 H new ATOM 0 H4' DG A 7 -7.797 6.230 5.309 1.00 10.00 H new ATOM 0 H3' DG A 7 -6.770 7.528 7.495 1.00 10.00 H new ATOM 0 H2' DG A 7 -4.603 6.380 7.393 1.00 10.00 H new ATOM 0 H2'' DG A 7 -5.506 5.501 8.610 1.00 10.00 H new ATOM 0 H1' DG A 7 -6.253 3.840 7.058 1.00 10.00 H new ATOM 0 H8 DG A 7 -2.796 5.347 6.674 1.00 10.00 H new ATOM 0 H1 DG A 7 -3.305 -1.038 6.432 1.00 10.00 H new ATOM 0 H21 DG A 7 -6.708 -0.395 6.204 1.00 10.00 H new ATOM 0 H22 DG A 7 -5.413 -1.596 6.246 1.00 10.00 H new ATOM 226 P DC A 8 -8.320 5.759 9.178 1.00 10.00 P ATOM 227 OP1 DC A 8 -9.784 5.728 9.272 1.00 10.00 O ATOM 228 OP2 DC A 8 -7.578 6.771 9.936 1.00 10.00 O ATOM 229 O5' DC A 8 -7.781 4.316 9.562 1.00 10.00 O ATOM 230 C5' DC A 8 -8.346 3.147 9.003 1.00 10.00 C ATOM 231 C4' DC A 8 -7.780 1.865 9.598 1.00 10.00 C ATOM 232 O4' DC A 8 -6.438 1.778 9.211 1.00 10.00 O ATOM 233 C3' DC A 8 -7.817 1.811 11.119 1.00 10.00 C ATOM 234 O3' DC A 8 -8.447 0.655 11.611 1.00 10.00 O ATOM 235 C2' DC A 8 -6.360 1.828 11.498 1.00 10.00 C ATOM 236 C1' DC A 8 -5.644 1.322 10.263 1.00 10.00 C ATOM 237 N1 DC A 8 -4.258 1.836 10.121 1.00 10.00 N ATOM 238 C2 DC A 8 -3.170 0.964 10.192 1.00 10.00 C ATOM 239 O2 DC A 8 -3.313 -0.250 10.307 1.00 10.00 O ATOM 240 N3 DC A 8 -1.911 1.467 10.126 1.00 10.00 N ATOM 241 C4 DC A 8 -1.721 2.770 9.958 1.00 10.00 C ATOM 242 N4 DC A 8 -0.493 3.201 9.916 1.00 10.00 N ATOM 243 C5 DC A 8 -2.807 3.682 9.868 1.00 10.00 C ATOM 244 C6 DC A 8 -4.048 3.174 9.956 1.00 10.00 C ATOM 0 H5' DC A 8 -8.175 3.147 7.927 1.00 10.00 H new ATOM 0 H5'' DC A 8 -9.425 3.165 9.154 1.00 10.00 H new ATOM 0 H4' DC A 8 -8.399 1.046 9.233 1.00 10.00 H new ATOM 0 H3' DC A 8 -8.394 2.634 11.541 1.00 10.00 H new ATOM 0 H2' DC A 8 -6.031 2.832 11.765 1.00 10.00 H new ATOM 0 H2'' DC A 8 -6.166 1.189 12.360 1.00 10.00 H new ATOM 0 HO3' DC A 8 -8.441 0.671 12.591 1.00 10.00 H new ATOM 0 H1' DC A 8 -5.527 0.239 10.300 1.00 10.00 H new ATOM 0 H41 DC A 8 -0.306 4.195 9.788 1.00 10.00 H new ATOM 0 H42 DC A 8 0.282 2.544 10.011 1.00 10.00 H new ATOM 0 H5 DC A 8 -2.642 4.741 9.734 1.00 10.00 H new ATOM 0 H6 DC A 8 -4.897 3.839 9.895 1.00 10.00 H new TER 257 DC A 8 ATOM 258 O5' DC B 9 -3.561 -9.418 8.161 1.00 10.00 O ATOM 259 C5' DC B 9 -4.795 -9.234 8.776 1.00 10.00 C ATOM 260 C4' DC B 9 -5.618 -8.107 8.175 1.00 10.00 C ATOM 261 O4' DC B 9 -4.899 -6.905 8.269 1.00 10.00 O ATOM 262 C3' DC B 9 -5.992 -8.286 6.705 1.00 10.00 C ATOM 263 O3' DC B 9 -7.371 -8.090 6.555 1.00 10.00 O ATOM 264 C2' DC B 9 -5.188 -7.197 6.024 1.00 10.00 C ATOM 265 C1' DC B 9 -5.096 -6.156 7.105 1.00 10.00 C ATOM 266 N1 DC B 9 -3.992 -5.171 6.913 1.00 10.00 N ATOM 267 C2 DC B 9 -4.270 -3.852 6.610 1.00 10.00 C ATOM 268 O2 DC B 9 -5.423 -3.428 6.506 1.00 10.00 O ATOM 269 N3 DC B 9 -3.245 -2.983 6.411 1.00 10.00 N ATOM 270 C4 DC B 9 -2.010 -3.415 6.487 1.00 10.00 C ATOM 271 N4 DC B 9 -1.077 -2.553 6.288 1.00 10.00 N ATOM 272 C5 DC B 9 -1.681 -4.754 6.802 1.00 10.00 C ATOM 273 C6 DC B 9 -2.695 -5.588 7.018 1.00 10.00 C ATOM 0 H5' DC B 9 -4.636 -9.030 9.835 1.00 10.00 H new ATOM 0 H5'' DC B 9 -5.364 -10.161 8.712 1.00 10.00 H new ATOM 0 H4' DC B 9 -6.545 -8.104 8.748 1.00 10.00 H new ATOM 0 H3' DC B 9 -5.781 -9.273 6.294 1.00 10.00 H new ATOM 0 H2' DC B 9 -4.205 -7.550 5.712 1.00 10.00 H new ATOM 0 H2'' DC B 9 -5.688 -6.817 5.133 1.00 10.00 H new ATOM 0 HO5' DC B 9 -3.085 -10.155 8.597 1.00 10.00 H new ATOM 0 H1' DC B 9 -5.992 -5.535 7.121 1.00 10.00 H new ATOM 0 H41 DC B 9 -0.099 -2.839 6.336 1.00 10.00 H new ATOM 0 H42 DC B 9 -1.315 -1.583 6.082 1.00 10.00 H new ATOM 0 H5 DC B 9 -0.655 -5.084 6.864 1.00 10.00 H new ATOM 0 H6 DC B 9 -2.489 -6.615 7.282 1.00 10.00 H new HETATM 286 P CMR B 10 -8.182 -8.614 5.276 1.00 10.00 P HETATM 287 CMP CMR B 10 -9.523 -9.744 5.584 1.00 10.00 C HETATM 288 OP1 CMR B 10 -7.258 -9.406 4.436 1.00 10.00 O HETATM 289 O5' CMR B 10 -8.532 -7.265 4.501 1.00 10.00 O HETATM 290 C5' CMR B 10 -9.572 -6.427 4.947 1.00 10.00 C HETATM 291 C4' CMR B 10 -9.651 -5.139 4.164 1.00 10.00 C HETATM 292 O4' CMR B 10 -8.474 -4.392 4.364 1.00 10.00 O HETATM 293 C1' CMR B 10 -8.062 -3.805 3.150 1.00 10.00 C HETATM 294 N1 CMR B 10 -6.584 -3.600 3.149 1.00 10.00 N HETATM 295 C6 CMR B 10 -5.749 -4.668 3.259 1.00 10.00 C HETATM 296 C5 CMR B 10 -4.412 -4.529 3.237 1.00 10.00 C HETATM 297 C4 CMR B 10 -3.910 -3.209 3.074 1.00 10.00 C HETATM 298 N4 CMR B 10 -2.605 -3.033 2.983 1.00 10.00 N HETATM 299 N3 CMR B 10 -4.713 -2.140 3.022 1.00 10.00 N HETATM 300 C2 CMR B 10 -6.061 -2.314 3.074 1.00 10.00 C HETATM 301 O2 CMR B 10 -6.781 -1.318 3.051 1.00 10.00 O HETATM 302 C3' CMR B 10 -9.848 -5.305 2.663 1.00 10.00 C HETATM 303 C2' CMR B 10 -8.523 -4.813 2.099 1.00 10.00 C HETATM 304 O3' CMR B 10 -10.952 -4.512 2.285 1.00 10.00 O HETATM 0 HMP3 CMR B 10 -9.973 -10.042 4.637 1.00 10.00 H new HETATM 0 HMP2 CMR B 10 -9.144 -10.627 6.099 1.00 10.00 H new HETATM 0 HMP1 CMR B 10 -10.275 -9.256 6.205 1.00 10.00 H new HETATM 0 H5'' CMR B 10 -10.521 -6.957 4.866 1.00 10.00 H new HETATM 0 H2'' CMR B 10 -8.647 -4.349 1.121 1.00 10.00 H new HETATM 0 H6 CMR B 10 -6.176 -5.665 3.368 1.00 10.00 H new HETATM 0 H5' CMR B 10 -9.423 -6.199 6.002 1.00 10.00 H new HETATM 0 H5 CMR B 10 -3.746 -5.386 3.339 1.00 10.00 H new HETATM 0 H42 CMR B 10 -2.224 -2.094 2.866 1.00 10.00 H new HETATM 0 H41 CMR B 10 -1.978 -3.836 3.030 1.00 10.00 H new HETATM 0 H4' CMR B 10 -10.539 -4.634 4.544 1.00 10.00 H new HETATM 0 H3' CMR B 10 -10.069 -6.313 2.311 1.00 10.00 H new HETATM 0 H2' CMR B 10 -7.808 -5.627 1.978 1.00 10.00 H new HETATM 0 H1' CMR B 10 -8.480 -2.815 2.968 1.00 10.00 H new HETATM 319 P RMP B 11 -11.542 -4.458 0.788 1.00 10.00 P HETATM 320 CMP RMP B 11 -13.307 -4.527 0.643 1.00 10.00 C HETATM 321 OP1 RMP B 11 -11.090 -5.629 0.021 1.00 10.00 O HETATM 322 O5' RMP B 11 -10.806 -3.175 0.190 1.00 10.00 O HETATM 323 C5' RMP B 11 -11.069 -1.905 0.728 1.00 10.00 C HETATM 324 C4' RMP B 11 -10.072 -0.880 0.233 1.00 10.00 C HETATM 325 O4' RMP B 11 -8.773 -1.272 0.587 1.00 10.00 O HETATM 326 C1' RMP B 11 -7.891 -0.760 -0.380 1.00 10.00 C HETATM 327 N9 RMP B 11 -6.600 -1.480 -0.379 1.00 10.00 N HETATM 328 C8 RMP B 11 -6.389 -2.825 -0.499 1.00 10.00 C HETATM 329 N7 RMP B 11 -5.142 -3.184 -0.468 1.00 10.00 N HETATM 330 C5 RMP B 11 -4.474 -1.967 -0.332 1.00 10.00 C HETATM 331 C6 RMP B 11 -3.126 -1.585 -0.238 1.00 10.00 C HETATM 332 N6 RMP B 11 -2.124 -2.433 -0.274 1.00 10.00 N HETATM 333 N1 RMP B 11 -2.814 -0.291 -0.161 1.00 10.00 N HETATM 334 C2 RMP B 11 -3.773 0.619 -0.185 1.00 10.00 C HETATM 335 N3 RMP B 11 -5.071 0.406 -0.252 1.00 10.00 N HETATM 336 C4 RMP B 11 -5.357 -0.921 -0.310 1.00 10.00 C HETATM 337 C3' RMP B 11 -10.070 -0.605 -1.277 1.00 10.00 C HETATM 338 C2' RMP B 11 -8.643 -0.926 -1.679 1.00 10.00 C HETATM 339 O3' RMP B 11 -10.424 0.750 -1.447 1.00 10.00 O HETATM 0 HMP3 RMP B 11 -13.588 -4.468 -0.408 1.00 10.00 H new HETATM 0 HMP2 RMP B 11 -13.670 -5.464 1.064 1.00 10.00 H new HETATM 0 HMP1 RMP B 11 -13.749 -3.691 1.184 1.00 10.00 H new HETATM 0 H5'' RMP B 11 -12.078 -1.595 0.456 1.00 10.00 H new HETATM 0 H2'' RMP B 11 -8.276 -0.248 -2.449 1.00 10.00 H new HETATM 0 H8 RMP B 11 -7.204 -3.540 -0.612 1.00 10.00 H new HETATM 0 H62 RMP B 11 -1.165 -2.093 -0.201 1.00 10.00 H new HETATM 0 H61 RMP B 11 -2.305 -3.432 -0.375 1.00 10.00 H new HETATM 0 H5' RMP B 11 -11.033 -1.954 1.816 1.00 10.00 H new HETATM 0 H4' RMP B 11 -10.392 0.045 0.714 1.00 10.00 H new HETATM 0 H3' RMP B 11 -10.768 -1.182 -1.883 1.00 10.00 H new HETATM 0 H2' RMP B 11 -8.551 -1.937 -2.075 1.00 10.00 H new HETATM 0 H2 RMP B 11 -3.454 1.661 -0.145 1.00 10.00 H new HETATM 0 H1' RMP B 11 -7.618 0.279 -0.195 1.00 10.00 H new HETATM 354 P RMP B 12 -10.665 1.432 -2.865 1.00 10.00 P HETATM 355 CMP RMP B 12 -12.164 2.349 -3.080 1.00 10.00 C HETATM 356 OP1 RMP B 12 -10.746 0.382 -3.900 1.00 10.00 O HETATM 357 O5' RMP B 12 -9.308 2.220 -3.081 1.00 10.00 O HETATM 358 C5' RMP B 12 -8.954 3.292 -2.271 1.00 10.00 C HETATM 359 C4' RMP B 12 -7.624 3.888 -2.642 1.00 10.00 C HETATM 360 O4' RMP B 12 -6.624 2.922 -2.395 1.00 10.00 O HETATM 361 C1' RMP B 12 -5.678 2.910 -3.436 1.00 10.00 C HETATM 362 N9 RMP B 12 -5.012 1.595 -3.539 1.00 10.00 N HETATM 363 C8 RMP B 12 -5.566 0.349 -3.622 1.00 10.00 C HETATM 364 N7 RMP B 12 -4.713 -0.638 -3.667 1.00 10.00 N HETATM 365 C5 RMP B 12 -3.493 0.014 -3.644 1.00 10.00 C HETATM 366 C6 RMP B 12 -2.153 -0.432 -3.618 1.00 10.00 C HETATM 367 N6 RMP B 12 -1.787 -1.703 -3.677 1.00 10.00 N HETATM 368 N1 RMP B 12 -1.162 0.460 -3.552 1.00 10.00 N HETATM 369 C2 RMP B 12 -1.472 1.742 -3.510 1.00 10.00 C HETATM 370 N3 RMP B 12 -2.678 2.302 -3.508 1.00 10.00 N HETATM 371 C4 RMP B 12 -3.662 1.372 -3.584 1.00 10.00 C HETATM 372 C3' RMP B 12 -7.470 4.320 -4.105 1.00 10.00 C HETATM 373 C2' RMP B 12 -6.480 3.287 -4.659 1.00 10.00 C HETATM 374 O3' RMP B 12 -6.948 5.633 -4.096 1.00 10.00 O HETATM 0 HMP3 RMP B 12 -12.195 2.764 -4.088 1.00 10.00 H new HETATM 0 HMP2 RMP B 12 -13.019 1.689 -2.933 1.00 10.00 H new HETATM 0 HMP1 RMP B 12 -12.202 3.160 -2.352 1.00 10.00 H new HETATM 0 H5'' RMP B 12 -9.723 4.061 -2.338 1.00 10.00 H new HETATM 0 H2'' RMP B 12 -5.850 3.709 -5.442 1.00 10.00 H new HETATM 0 H8 RMP B 12 -6.644 0.190 -3.649 1.00 10.00 H new HETATM 0 H62 RMP B 12 -0.798 -1.950 -3.653 1.00 10.00 H new HETATM 0 H61 RMP B 12 -2.494 -2.435 -3.746 1.00 10.00 H new HETATM 0 H5' RMP B 12 -8.922 2.962 -1.233 1.00 10.00 H new HETATM 0 H4' RMP B 12 -7.538 4.792 -2.039 1.00 10.00 H new HETATM 0 H3' RMP B 12 -8.381 4.346 -4.703 1.00 10.00 H new HETATM 0 H2' RMP B 12 -6.991 2.426 -5.090 1.00 10.00 H new HETATM 0 H2 RMP B 12 -0.629 2.432 -3.472 1.00 10.00 H new HETATM 0 H1' RMP B 12 -4.851 3.604 -3.283 1.00 10.00 H new HETATM 389 P SMP B 13 -6.827 6.538 -5.403 1.00 10.00 P HETATM 390 CMP SMP B 13 -8.104 6.349 -6.609 1.00 10.00 C HETATM 391 OP1 SMP B 13 -6.969 7.947 -4.990 1.00 10.00 O HETATM 392 O5' SMP B 13 -5.321 6.327 -5.890 1.00 10.00 O HETATM 393 C5' SMP B 13 -4.259 6.876 -5.168 1.00 10.00 C HETATM 394 C4' SMP B 13 -2.911 6.523 -5.763 1.00 10.00 C HETATM 395 O4' SMP B 13 -2.629 5.165 -5.543 1.00 10.00 O HETATM 396 C1' SMP B 13 -1.841 4.705 -6.602 1.00 10.00 C HETATM 397 N9 SMP B 13 -1.931 3.247 -6.707 1.00 10.00 N HETATM 398 C8 SMP B 13 -3.022 2.486 -6.960 1.00 10.00 C HETATM 399 N7 SMP B 13 -2.752 1.224 -7.133 1.00 10.00 N HETATM 400 C5 SMP B 13 -1.382 1.157 -6.951 1.00 10.00 C HETATM 401 C6 SMP B 13 -0.454 0.094 -6.986 1.00 10.00 C HETATM 402 N6 SMP B 13 -0.771 -1.171 -7.202 1.00 10.00 N HETATM 403 N1 SMP B 13 0.840 0.359 -6.795 1.00 10.00 N HETATM 404 C2 SMP B 13 1.206 1.611 -6.575 1.00 10.00 C HETATM 405 N3 SMP B 13 0.451 2.697 -6.503 1.00 10.00 N HETATM 406 C4 SMP B 13 -0.861 2.397 -6.703 1.00 10.00 C HETATM 407 C3' SMP B 13 -2.718 6.786 -7.263 1.00 10.00 C HETATM 408 C2' SMP B 13 -2.489 5.382 -7.783 1.00 10.00 C HETATM 409 O3' SMP B 13 -1.612 7.656 -7.348 1.00 10.00 O HETATM 0 HMP3 SMP B 13 -9.071 6.556 -6.151 1.00 10.00 H new HETATM 0 HMP2 SMP B 13 -7.935 7.046 -7.430 1.00 10.00 H new HETATM 0 HMP1 SMP B 13 -8.095 5.328 -6.992 1.00 10.00 H new HETATM 0 H5'' SMP B 13 -4.367 7.960 -5.137 1.00 10.00 H new HETATM 0 H2'' SMP B 13 -1.844 5.374 -8.661 1.00 10.00 H new HETATM 0 H8 SMP B 13 -4.032 2.892 -7.014 1.00 10.00 H new HETATM 0 H62 SMP B 13 -0.042 -1.885 -7.213 1.00 10.00 H new HETATM 0 H61 SMP B 13 -1.744 -1.433 -7.358 1.00 10.00 H new HETATM 0 H5' SMP B 13 -4.302 6.522 -4.138 1.00 10.00 H new HETATM 0 H4' SMP B 13 -2.232 7.202 -5.247 1.00 10.00 H new HETATM 0 H3' SMP B 13 -3.518 7.261 -7.830 1.00 10.00 H new HETATM 0 H2' SMP B 13 -3.422 4.897 -8.069 1.00 10.00 H new HETATM 0 H2 SMP B 13 2.275 1.771 -6.434 1.00 10.00 H new HETATM 0 H1' SMP B 13 -0.778 4.924 -6.504 1.00 10.00 H new HETATM 424 P CMR B 14 -0.931 8.096 -8.721 1.00 10.00 P HETATM 425 CMP CMR B 14 -0.551 9.825 -8.951 1.00 10.00 C HETATM 426 OP1 CMR B 14 -1.881 7.802 -9.812 1.00 10.00 O HETATM 427 O5' CMR B 14 0.279 7.058 -8.807 1.00 10.00 O HETATM 428 C5' CMR B 14 1.269 7.023 -7.813 1.00 10.00 C HETATM 429 C4' CMR B 14 2.416 6.122 -8.215 1.00 10.00 C HETATM 430 O4' CMR B 14 1.952 4.805 -8.257 1.00 10.00 O HETATM 431 C1' CMR B 14 2.411 4.172 -9.416 1.00 10.00 C HETATM 432 N1 CMR B 14 1.507 3.059 -9.783 1.00 10.00 N HETATM 433 C6 CMR B 14 0.167 3.285 -9.887 1.00 10.00 C HETATM 434 C5 CMR B 14 -0.688 2.295 -10.193 1.00 10.00 C HETATM 435 C4 CMR B 14 -0.116 1.000 -10.391 1.00 10.00 C HETATM 436 N4 CMR B 14 -0.907 -0.022 -10.612 1.00 10.00 N HETATM 437 N3 CMR B 14 1.198 0.753 -10.275 1.00 10.00 N HETATM 438 C2 CMR B 14 2.024 1.793 -9.976 1.00 10.00 C HETATM 439 O2 CMR B 14 3.218 1.568 -9.876 1.00 10.00 O HETATM 440 C3' CMR B 14 3.015 6.420 -9.583 1.00 10.00 C HETATM 441 C2' CMR B 14 2.497 5.278 -10.451 1.00 10.00 C HETATM 442 O3' CMR B 14 4.413 6.424 -9.446 1.00 10.00 O HETATM 0 HMP3 CMR B 14 -0.109 9.972 -9.936 1.00 10.00 H new HETATM 0 HMP2 CMR B 14 -1.466 10.412 -8.873 1.00 10.00 H new HETATM 0 HMP1 CMR B 14 0.154 10.148 -8.185 1.00 10.00 H new HETATM 0 H5'' CMR B 14 1.641 8.031 -7.631 1.00 10.00 H new HETATM 0 H2'' CMR B 14 3.178 5.033 -11.266 1.00 10.00 H new HETATM 0 H6 CMR B 14 -0.219 4.290 -9.718 1.00 10.00 H new HETATM 0 H5' CMR B 14 0.836 6.670 -6.877 1.00 10.00 H new HETATM 0 H5 CMR B 14 -1.760 2.470 -10.285 1.00 10.00 H new HETATM 0 H42 CMR B 14 -0.512 -0.951 -10.755 1.00 10.00 H new HETATM 0 H41 CMR B 14 -1.918 0.112 -10.641 1.00 10.00 H new HETATM 0 H4' CMR B 14 3.196 6.292 -7.473 1.00 10.00 H new HETATM 0 H3' CMR B 14 2.747 7.382 -10.019 1.00 10.00 H new HETATM 0 H2' CMR B 14 1.530 5.503 -10.901 1.00 10.00 H new HETATM 0 H1' CMR B 14 3.386 3.697 -9.304 1.00 10.00 H new HETATM 457 P RMP B 15 5.412 6.929 -10.597 1.00 10.00 P HETATM 458 CMP RMP B 15 6.559 8.213 -10.158 1.00 10.00 C HETATM 459 OP1 RMP B 15 4.606 7.569 -11.640 1.00 10.00 O HETATM 460 O5' RMP B 15 6.041 5.626 -11.249 1.00 10.00 O HETATM 461 C5' RMP B 15 7.043 4.898 -10.600 1.00 10.00 C HETATM 462 C4' RMP B 15 7.450 3.674 -11.388 1.00 10.00 C HETATM 463 O4' RMP B 15 6.375 2.775 -11.418 1.00 10.00 O HETATM 464 C1' RMP B 15 6.321 2.151 -12.658 1.00 10.00 C HETATM 465 N9 RMP B 15 4.926 1.785 -12.943 1.00 10.00 N HETATM 466 C8 RMP B 15 3.833 2.608 -13.041 1.00 10.00 C HETATM 467 N7 RMP B 15 2.714 1.987 -13.248 1.00 10.00 N HETATM 468 C5 RMP B 15 3.100 0.651 -13.304 1.00 10.00 C HETATM 469 C6 RMP B 15 2.385 -0.551 -13.438 1.00 10.00 C HETATM 470 N6 RMP B 15 1.071 -0.603 -13.585 1.00 10.00 N HETATM 471 N1 RMP B 15 3.043 -1.715 -13.425 1.00 10.00 N HETATM 472 C2 RMP B 15 4.363 -1.702 -13.321 1.00 10.00 C HETATM 473 N3 RMP B 15 5.156 -0.652 -13.153 1.00 10.00 N HETATM 474 C4 RMP B 15 4.450 0.514 -13.134 1.00 10.00 C HETATM 475 C3' RMP B 15 7.845 3.968 -12.819 1.00 10.00 C HETATM 476 C2' RMP B 15 6.893 3.162 -13.610 1.00 10.00 C HETATM 477 O3' RMP B 15 9.127 3.631 -13.106 1.00 10.00 O HETATM 0 HO3' RMP B 15 9.319 3.844 -14.043 1.00 10.00 H new HETATM 0 HMP3 RMP B 15 7.145 8.493 -11.034 1.00 10.00 H new HETATM 0 HMP2 RMP B 15 6.011 9.082 -9.795 1.00 10.00 H new HETATM 0 HMP1 RMP B 15 7.226 7.853 -9.375 1.00 10.00 H new HETATM 0 H5'' RMP B 15 7.913 5.536 -10.445 1.00 10.00 H new HETATM 0 H2'' RMP B 15 7.395 2.673 -14.445 1.00 10.00 H new HETATM 0 H8 RMP B 15 3.900 3.692 -12.952 1.00 10.00 H new HETATM 0 H62 RMP B 15 0.604 -1.505 -13.678 1.00 10.00 H new HETATM 0 H61 RMP B 15 0.526 0.259 -13.605 1.00 10.00 H new HETATM 0 H5' RMP B 15 6.691 4.595 -9.614 1.00 10.00 H new HETATM 0 H4' RMP B 15 8.326 3.264 -10.885 1.00 10.00 H new HETATM 0 H3' RMP B 15 7.802 5.036 -13.033 1.00 10.00 H new HETATM 0 H2' RMP B 15 6.108 3.789 -14.033 1.00 10.00 H new HETATM 0 H2 RMP B 15 4.858 -2.671 -13.381 1.00 10.00 H new HETATM 0 H1' RMP B 15 6.885 1.221 -12.727 1.00 10.00 H new TER 493 RMP B 15 CONECT 263 286 CONECT 286 263 287 288 289 CONECT 287 286 305 306 307 CONECT 288 286 CONECT 289 286 290 CONECT 290 289 291 308 309 CONECT 291 290 292 302 310 CONECT 292 291 293 CONECT 293 292 294 303 311 CONECT 294 293 295 300 CONECT 295 294 296 312 CONECT 296 295 297 313 CONECT 297 296 298 299 CONECT 298 297 314 315 CONECT 299 297 300 CONECT 300 294 299 301 CONECT 301 300 CONECT 302 291 303 304 316 CONECT 303 293 302 317 318 CONECT 304 302 319 CONECT 305 287 CONECT 306 287 CONECT 307 287 CONECT 308 290 CONECT 309 290 CONECT 310 291 CONECT 311 293 CONECT 312 295 CONECT 313 296 CONECT 314 298 CONECT 315 298 CONECT 316 302 CONECT 317 303 CONECT 318 303 CONECT 319 304 320 321 322 CONECT 320 319 340 341 342 CONECT 321 319 CONECT 322 319 323 CONECT 323 322 324 343 344 CONECT 324 323 325 337 345 CONECT 325 324 326 CONECT 326 325 327 338 346 CONECT 327 326 328 336 CONECT 328 327 329 347 CONECT 329 328 330 CONECT 330 329 331 336 CONECT 331 330 332 333 CONECT 332 331 348 349 CONECT 333 331 334 CONECT 334 333 335 350 CONECT 335 334 336 CONECT 336 327 330 335 CONECT 337 324 338 339 351 CONECT 338 326 337 352 353 CONECT 339 337 354 CONECT 340 320 CONECT 341 320 CONECT 342 320 CONECT 343 323 CONECT 344 323 CONECT 345 324 CONECT 346 326 CONECT 347 328 CONECT 348 332 CONECT 349 332 CONECT 350 334 CONECT 351 337 CONECT 352 338 CONECT 353 338 CONECT 354 339 355 356 357 CONECT 355 354 375 376 377 CONECT 356 354 CONECT 357 354 358 CONECT 358 357 359 378 379 CONECT 359 358 360 372 380 CONECT 360 359 361 CONECT 361 360 362 373 381 CONECT 362 361 363 371 CONECT 363 362 364 382 CONECT 364 363 365 CONECT 365 364 366 371 CONECT 366 365 367 368 CONECT 367 366 383 384 CONECT 368 366 369 CONECT 369 368 370 385 CONECT 370 369 371 CONECT 371 362 365 370 CONECT 372 359 373 374 386 CONECT 373 361 372 387 388 CONECT 374 372 389 CONECT 375 355 CONECT 376 355 CONECT 377 355 CONECT 378 358 CONECT 379 358 CONECT 380 359 CONECT 381 361 CONECT 382 363 CONECT 383 367 CONECT 384 367 CONECT 385 369 CONECT 386 372 CONECT 387 373 CONECT 388 373 CONECT 389 374 390 391 392 CONECT 390 389 410 411 412 CONECT 391 389 CONECT 392 389 393 CONECT 393 392 394 413 414 CONECT 394 393 395 407 415 CONECT 395 394 396 CONECT 396 395 397 408 416 CONECT 397 396 398 406 CONECT 398 397 399 417 CONECT 399 398 400 CONECT 400 399 401 406 CONECT 401 400 402 403 CONECT 402 401 418 419 CONECT 403 401 404 CONECT 404 403 405 420 CONECT 405 404 406 CONECT 406 397 400 405 CONECT 407 394 408 409 421 CONECT 408 396 407 422 423 CONECT 409 407 424 CONECT 410 390 CONECT 411 390 CONECT 412 390 CONECT 413 393 CONECT 414 393 CONECT 415 394 CONECT 416 396 CONECT 417 398 CONECT 418 402 CONECT 419 402 CONECT 420 404 CONECT 421 407 CONECT 422 408 CONECT 423 408 CONECT 424 409 425 426 427 CONECT 425 424 443 444 445 CONECT 426 424 CONECT 427 424 428 CONECT 428 427 429 446 447 CONECT 429 428 430 440 448 CONECT 430 429 431 CONECT 431 430 432 441 449 CONECT 432 431 433 438 CONECT 433 432 434 450 CONECT 434 433 435 451 CONECT 435 434 436 437 CONECT 436 435 452 453 CONECT 437 435 438 CONECT 438 432 437 439 CONECT 439 438 CONECT 440 429 441 442 454 CONECT 441 431 440 455 456 CONECT 442 440 457 CONECT 443 425 CONECT 444 425 CONECT 445 425 CONECT 446 428 CONECT 447 428 CONECT 448 429 CONECT 449 431 CONECT 450 433 CONECT 451 434 CONECT 452 436 CONECT 453 436 CONECT 454 440 CONECT 455 441 CONECT 456 441 CONECT 457 442 458 459 460 CONECT 458 457 478 479 480 CONECT 459 457 CONECT 460 457 461 CONECT 461 460 462 481 482 CONECT 462 461 463 475 483 CONECT 463 462 464 CONECT 464 463 465 476 484 CONECT 465 464 466 474 CONECT 466 465 467 485 CONECT 467 466 468 CONECT 468 467 469 474 CONECT 469 468 470 471 CONECT 470 469 486 487 CONECT 471 469 472 CONECT 472 471 473 488 CONECT 473 472 474 CONECT 474 465 468 473 CONECT 475 462 476 477 489 CONECT 476 464 475 490 491 CONECT 477 475 492 CONECT 478 458 CONECT 479 458 CONECT 480 458 CONECT 481 461 CONECT 482 461 CONECT 483 462 CONECT 484 464 CONECT 485 466 CONECT 486 470 CONECT 487 470 CONECT 488 472 CONECT 489 475 CONECT 490 476 CONECT 491 476 CONECT 492 477 END