USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 hets) 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.364 (180deg=-0.364) USER MOD Single : A 10 DT C7 :methyl -30:sc= -2.48 (180deg=-4.26!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.243 9.853 -0.899 1.00 0.00 O ATOM 2 C5' DT A 1 -8.186 10.411 -2.214 1.00 0.00 C ATOM 3 C4' DT A 1 -7.198 9.664 -3.079 1.00 0.00 C ATOM 4 O4' DT A 1 -5.872 9.823 -2.518 1.00 0.00 O ATOM 5 C3' DT A 1 -7.439 8.152 -3.180 1.00 0.00 C ATOM 6 O3' DT A 1 -7.380 7.739 -4.551 1.00 0.00 O ATOM 7 C2' DT A 1 -6.293 7.547 -2.384 1.00 0.00 C ATOM 8 C1' DT A 1 -5.207 8.579 -2.574 1.00 0.00 C ATOM 9 N1 DT A 1 -4.150 8.572 -1.545 1.00 0.00 N ATOM 10 C2 DT A 1 -2.855 8.342 -1.950 1.00 0.00 C ATOM 11 O2 DT A 1 -2.544 8.149 -3.112 1.00 0.00 O ATOM 12 N3 DT A 1 -1.931 8.346 -0.939 1.00 0.00 N ATOM 13 C4 DT A 1 -2.165 8.551 0.403 1.00 0.00 C ATOM 14 O4 DT A 1 -1.229 8.514 1.197 1.00 0.00 O ATOM 15 C5 DT A 1 -3.546 8.790 0.760 1.00 0.00 C ATOM 16 C7 DT A 1 -3.890 9.034 2.196 1.00 0.00 C ATOM 17 C6 DT A 1 -4.462 8.790 -0.219 1.00 0.00 C ATOM 0 H5' DT A 1 -7.901 11.461 -2.155 1.00 0.00 H new ATOM 0 H5'' DT A 1 -9.175 10.374 -2.671 1.00 0.00 H new ATOM 0 H4' DT A 1 -7.314 10.089 -4.076 1.00 0.00 H new ATOM 0 H3' DT A 1 -8.415 7.845 -2.803 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.551 7.413 -1.333 1.00 0.00 H new ATOM 0 H2'' DT A 1 -6.000 6.570 -2.767 1.00 0.00 H new ATOM 0 HO5' DT A 1 -8.888 10.355 -0.358 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.692 8.369 -3.512 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.962 8.179 -1.210 1.00 0.00 H new ATOM 0 H71 DT A 1 -4.762 9.686 2.256 1.00 0.00 H new ATOM 0 H72 DT A 1 -4.112 8.085 2.683 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.047 9.510 2.696 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.494 8.969 0.043 1.00 0.00 H new ATOM 31 P DA A 2 -7.586 6.189 -4.933 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.585 6.108 -6.029 1.00 0.00 O ATOM 33 OP2 DA A 2 -7.814 5.427 -3.679 1.00 0.00 O ATOM 34 O5' DA A 2 -6.172 5.752 -5.522 1.00 0.00 O ATOM 35 C5' DA A 2 -5.479 6.579 -6.460 1.00 0.00 C ATOM 36 C4' DA A 2 -4.258 5.863 -6.989 1.00 0.00 C ATOM 37 O4' DA A 2 -3.183 6.003 -6.030 1.00 0.00 O ATOM 38 C3' DA A 2 -4.429 4.360 -7.201 1.00 0.00 C ATOM 39 O3' DA A 2 -3.626 3.924 -8.303 1.00 0.00 O ATOM 40 C2' DA A 2 -3.932 3.768 -5.895 1.00 0.00 C ATOM 41 C1' DA A 2 -2.843 4.740 -5.472 1.00 0.00 C ATOM 42 N9 DA A 2 -2.721 4.912 -4.025 1.00 0.00 N ATOM 43 C8 DA A 2 -3.724 5.179 -3.127 1.00 0.00 C ATOM 44 N7 DA A 2 -3.309 5.288 -1.889 1.00 0.00 N ATOM 45 C5 DA A 2 -1.940 5.077 -1.976 1.00 0.00 C ATOM 46 C6 DA A 2 -0.923 5.061 -1.008 1.00 0.00 C ATOM 47 N6 DA A 2 -1.132 5.272 0.292 1.00 0.00 N ATOM 48 N1 DA A 2 0.338 4.818 -1.427 1.00 0.00 N ATOM 49 C2 DA A 2 0.551 4.607 -2.733 1.00 0.00 C ATOM 50 N3 DA A 2 -0.321 4.597 -3.737 1.00 0.00 N ATOM 51 C4 DA A 2 -1.565 4.842 -3.286 1.00 0.00 C ATOM 0 H5' DA A 2 -5.183 7.513 -5.982 1.00 0.00 H new ATOM 0 H5'' DA A 2 -6.142 6.839 -7.285 1.00 0.00 H new ATOM 0 H4' DA A 2 -4.061 6.321 -7.958 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.452 4.064 -7.436 1.00 0.00 H new ATOM 0 H2' DA A 2 -4.727 3.704 -5.152 1.00 0.00 H new ATOM 0 H2'' DA A 2 -3.542 2.759 -6.032 1.00 0.00 H new ATOM 0 H1' DA A 2 -1.891 4.340 -5.820 1.00 0.00 H new ATOM 0 H8 DA A 2 -4.759 5.289 -3.414 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.349 5.247 0.945 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.075 5.459 0.633 1.00 0.00 H new ATOM 0 H2 DA A 2 1.578 4.418 -3.010 1.00 0.00 H new ATOM 63 P DT A 3 -3.727 2.402 -8.815 1.00 0.00 P ATOM 64 OP1 DT A 3 -3.353 2.374 -10.251 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.045 1.864 -8.390 1.00 0.00 O ATOM 66 O5' DT A 3 -2.596 1.644 -7.988 1.00 0.00 O ATOM 67 C5' DT A 3 -1.214 1.951 -8.182 1.00 0.00 C ATOM 68 C4' DT A 3 -0.364 1.154 -7.221 1.00 0.00 C ATOM 69 O4' DT A 3 -0.545 1.694 -5.891 1.00 0.00 O ATOM 70 C3' DT A 3 -0.710 -0.337 -7.131 1.00 0.00 C ATOM 71 O3' DT A 3 0.474 -1.129 -7.278 1.00 0.00 O ATOM 72 C2' DT A 3 -1.287 -0.502 -5.734 1.00 0.00 C ATOM 73 C1' DT A 3 -0.624 0.627 -4.974 1.00 0.00 C ATOM 74 N1 DT A 3 -1.353 1.098 -3.781 1.00 0.00 N ATOM 75 C2 DT A 3 -0.624 1.349 -2.640 1.00 0.00 C ATOM 76 O2 DT A 3 0.586 1.209 -2.579 1.00 0.00 O ATOM 77 N3 DT A 3 -1.365 1.770 -1.571 1.00 0.00 N ATOM 78 C4 DT A 3 -2.727 1.963 -1.521 1.00 0.00 C ATOM 79 O4 DT A 3 -3.252 2.328 -0.473 1.00 0.00 O ATOM 80 C5 DT A 3 -3.434 1.688 -2.753 1.00 0.00 C ATOM 81 C7 DT A 3 -4.920 1.858 -2.790 1.00 0.00 C ATOM 82 C6 DT A 3 -2.722 1.276 -3.813 1.00 0.00 C ATOM 0 H5' DT A 3 -1.046 3.017 -8.030 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.924 1.726 -9.208 1.00 0.00 H new ATOM 0 H4' DT A 3 0.654 1.234 -7.602 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.402 -0.657 -7.910 1.00 0.00 H new ATOM 0 H2' DT A 3 -2.373 -0.412 -5.730 1.00 0.00 H new ATOM 0 H2'' DT A 3 -1.046 -1.476 -5.307 1.00 0.00 H new ATOM 0 H1' DT A 3 0.333 0.266 -4.598 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.850 1.963 -0.712 1.00 0.00 H new ATOM 0 H71 DT A 3 -5.229 2.140 -3.797 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.401 0.920 -2.512 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.215 2.638 -2.088 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.245 1.074 -4.736 1.00 0.00 H new ATOM 95 P DC A 4 0.356 -2.725 -7.445 1.00 0.00 P ATOM 96 OP1 DC A 4 1.188 -3.133 -8.605 1.00 0.00 O ATOM 97 OP2 DC A 4 -1.086 -3.082 -7.416 1.00 0.00 O ATOM 98 O5' DC A 4 1.025 -3.300 -6.118 1.00 0.00 O ATOM 99 C5' DC A 4 2.436 -3.505 -6.035 1.00 0.00 C ATOM 100 C4' DC A 4 2.773 -4.329 -4.813 1.00 0.00 C ATOM 101 O4' DC A 4 2.263 -3.655 -3.637 1.00 0.00 O ATOM 102 C3' DC A 4 2.160 -5.729 -4.786 1.00 0.00 C ATOM 103 O3' DC A 4 3.047 -6.641 -4.128 1.00 0.00 O ATOM 104 C2' DC A 4 0.888 -5.530 -3.983 1.00 0.00 C ATOM 105 C1' DC A 4 1.310 -4.475 -2.975 1.00 0.00 C ATOM 106 N1 DC A 4 0.227 -3.602 -2.489 1.00 0.00 N ATOM 107 C2 DC A 4 0.198 -3.257 -1.135 1.00 0.00 C ATOM 108 O2 DC A 4 1.073 -3.708 -0.381 1.00 0.00 O ATOM 109 N3 DC A 4 -0.781 -2.444 -0.680 1.00 0.00 N ATOM 110 C4 DC A 4 -1.708 -1.982 -1.520 1.00 0.00 C ATOM 111 N4 DC A 4 -2.648 -1.174 -1.027 1.00 0.00 N ATOM 112 C5 DC A 4 -1.711 -2.325 -2.904 1.00 0.00 C ATOM 113 C6 DC A 4 -0.732 -3.129 -3.342 1.00 0.00 C ATOM 0 H5' DC A 4 2.948 -2.544 -5.987 1.00 0.00 H new ATOM 0 H5'' DC A 4 2.791 -4.011 -6.933 1.00 0.00 H new ATOM 0 H4' DC A 4 3.858 -4.434 -4.837 1.00 0.00 H new ATOM 0 H3' DC A 4 1.975 -6.147 -5.775 1.00 0.00 H new ATOM 0 H2' DC A 4 0.061 -5.190 -4.607 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.564 -6.451 -3.498 1.00 0.00 H new ATOM 0 H1' DC A 4 1.686 -4.997 -2.095 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.373 -0.801 -1.640 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.642 -0.929 -0.037 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.472 -1.952 -3.573 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.700 -3.408 -4.385 1.00 0.00 H new ATOM 125 P DA A 5 2.870 -8.226 -4.342 1.00 0.00 P ATOM 126 OP1 DA A 5 4.029 -8.690 -5.146 1.00 0.00 O ATOM 127 OP2 DA A 5 1.491 -8.492 -4.823 1.00 0.00 O ATOM 128 O5' DA A 5 3.010 -8.834 -2.876 1.00 0.00 O ATOM 129 C5' DA A 5 3.467 -8.032 -1.783 1.00 0.00 C ATOM 130 C4' DA A 5 2.544 -8.192 -0.598 1.00 0.00 C ATOM 131 O4' DA A 5 1.328 -7.447 -0.850 1.00 0.00 O ATOM 132 C3' DA A 5 2.101 -9.629 -0.318 1.00 0.00 C ATOM 133 O3' DA A 5 1.941 -9.836 1.091 1.00 0.00 O ATOM 134 C2' DA A 5 0.772 -9.720 -1.040 1.00 0.00 C ATOM 135 C1' DA A 5 0.211 -8.323 -0.847 1.00 0.00 C ATOM 136 N9 DA A 5 -0.710 -7.881 -1.895 1.00 0.00 N ATOM 137 C8 DA A 5 -0.892 -8.426 -3.142 1.00 0.00 C ATOM 138 N7 DA A 5 -1.798 -7.810 -3.861 1.00 0.00 N ATOM 139 C5 DA A 5 -2.241 -6.788 -3.034 1.00 0.00 C ATOM 140 C6 DA A 5 -3.202 -5.776 -3.212 1.00 0.00 C ATOM 141 N6 DA A 5 -3.919 -5.621 -4.326 1.00 0.00 N ATOM 142 N1 DA A 5 -3.403 -4.915 -2.192 1.00 0.00 N ATOM 143 C2 DA A 5 -2.684 -5.069 -1.073 1.00 0.00 C ATOM 144 N3 DA A 5 -1.755 -5.979 -0.787 1.00 0.00 N ATOM 145 C4 DA A 5 -1.579 -6.818 -1.821 1.00 0.00 C ATOM 0 H5' DA A 5 3.508 -6.985 -2.083 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.480 -8.324 -1.506 1.00 0.00 H new ATOM 0 H4' DA A 5 3.117 -7.839 0.259 1.00 0.00 H new ATOM 0 H3' DA A 5 2.817 -10.381 -0.649 1.00 0.00 H new ATOM 0 H2' DA A 5 0.897 -9.967 -2.094 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.124 -10.483 -0.608 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.366 -8.322 0.078 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.340 -9.283 -3.497 1.00 0.00 H new ATOM 0 H61 DA A 5 -4.601 -4.866 -4.392 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.785 -6.258 -5.111 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.887 -4.353 -0.291 1.00 0.00 H new HETATM 157 P 0DT A 6 1.488 -11.278 1.641 1.00 0.00 P HETATM 158 OP1 0DT A 6 2.225 -11.547 2.902 1.00 0.00 O HETATM 159 OP2 0DT A 6 1.577 -12.247 0.518 1.00 0.00 O HETATM 160 O5' 0DT A 6 -0.052 -11.079 1.998 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.519 -9.856 2.571 1.00 0.00 C HETATM 162 C4' 0DT A 6 -1.457 -10.143 3.722 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.969 -11.487 3.592 1.00 0.00 O HETATM 164 C3' 0DT A 6 -2.684 -9.239 3.794 1.00 0.00 C HETATM 165 O3' 0DT A 6 -3.079 -9.028 5.155 1.00 0.00 O HETATM 166 C2' 0DT A 6 -3.754 -10.015 3.043 1.00 0.00 C HETATM 167 C1' 0DT A 6 -3.301 -11.471 3.102 1.00 0.00 C HETATM 168 N1 0DT A 6 -3.314 -12.161 1.795 1.00 0.00 N HETATM 169 C2 0DT A 6 -4.087 -13.292 1.664 1.00 0.00 C HETATM 170 O2 0DT A 6 -4.750 -13.755 2.577 1.00 0.00 O HETATM 171 N3 0DT A 6 -4.060 -13.866 0.422 1.00 0.00 N HETATM 172 C4 0DT A 6 -3.354 -13.436 -0.680 1.00 0.00 C HETATM 173 O4 0DT A 6 -3.434 -14.058 -1.734 1.00 0.00 O HETATM 174 C5 0DT A 6 -2.561 -12.247 -0.478 1.00 0.00 C HETATM 175 C5M 0DT A 6 -1.798 -11.681 -1.635 1.00 0.00 C HETATM 176 C6 0DT A 6 -2.571 -11.674 0.735 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.327 -9.264 2.920 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -4.732 -9.887 3.506 1.00 0.00 H new HETATM 0 H73 0DT A 6 -1.090 -12.424 -2.002 1.00 0.00 H new HETATM 0 H72 0DT A 6 -2.491 -11.416 -2.433 1.00 0.00 H new HETATM 0 H71 0DT A 6 -1.257 -10.791 -1.314 1.00 0.00 H new HETATM 0 H6 0DT A 6 -1.965 -10.782 0.893 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -1.032 -9.264 1.813 1.00 0.00 H new HETATM 0 H4' 0DT A 6 -0.857 -9.978 4.617 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -2.503 -8.251 3.371 1.00 0.00 H new HETATM 0 H3 0DT A 6 -4.626 -14.706 0.298 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.841 -9.670 2.013 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -4.005 -12.000 3.744 1.00 0.00 H new ATOM 189 P DC A 7 -4.146 -7.875 5.505 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.152 -8.473 6.421 1.00 0.00 O ATOM 191 OP2 DC A 7 -4.594 -7.241 4.238 1.00 0.00 O ATOM 192 O5' DC A 7 -3.303 -6.799 6.324 1.00 0.00 O ATOM 193 C5' DC A 7 -3.522 -6.601 7.722 1.00 0.00 C ATOM 194 C4' DC A 7 -2.609 -5.518 8.249 1.00 0.00 C ATOM 195 O4' DC A 7 -1.272 -5.748 7.748 1.00 0.00 O ATOM 196 C3' DC A 7 -2.978 -4.096 7.827 1.00 0.00 C ATOM 197 O3' DC A 7 -2.685 -3.172 8.880 1.00 0.00 O ATOM 198 C2' DC A 7 -2.092 -3.836 6.622 1.00 0.00 C ATOM 199 C1' DC A 7 -0.868 -4.708 6.872 1.00 0.00 C ATOM 200 N1 DC A 7 -0.288 -5.339 5.671 1.00 0.00 N ATOM 201 C2 DC A 7 1.083 -5.619 5.655 1.00 0.00 C ATOM 202 O2 DC A 7 1.769 -5.317 6.644 1.00 0.00 O ATOM 203 N3 DC A 7 1.625 -6.210 4.566 1.00 0.00 N ATOM 204 C4 DC A 7 0.855 -6.519 3.522 1.00 0.00 C ATOM 205 N4 DC A 7 1.435 -7.104 2.472 1.00 0.00 N ATOM 206 C5 DC A 7 -0.543 -6.242 3.505 1.00 0.00 C ATOM 207 C6 DC A 7 -1.068 -5.656 4.591 1.00 0.00 C ATOM 0 H5' DC A 7 -3.342 -7.531 8.260 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.562 -6.327 7.899 1.00 0.00 H new ATOM 0 H4' DC A 7 -2.697 -5.579 9.334 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.038 -3.979 7.602 1.00 0.00 H new ATOM 0 H2' DC A 7 -2.592 -4.107 5.692 1.00 0.00 H new ATOM 0 H2'' DC A 7 -1.823 -2.783 6.544 1.00 0.00 H new ATOM 0 H1' DC A 7 -0.094 -4.053 7.273 1.00 0.00 H new ATOM 0 H41 DC A 7 0.877 -7.355 1.655 1.00 0.00 H new ATOM 0 H42 DC A 7 2.436 -7.300 2.486 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.155 -6.494 2.652 1.00 0.00 H new ATOM 0 H6 DC A 7 -2.124 -5.430 4.614 1.00 0.00 H new ATOM 219 P DG A 8 -3.298 -1.685 8.832 1.00 0.00 P ATOM 220 OP1 DG A 8 -4.239 -1.540 9.972 1.00 0.00 O ATOM 221 OP2 DG A 8 -3.780 -1.436 7.450 1.00 0.00 O ATOM 222 O5' DG A 8 -2.043 -0.741 9.102 1.00 0.00 O ATOM 223 C5' DG A 8 -0.945 -1.185 9.905 1.00 0.00 C ATOM 224 C4' DG A 8 0.325 -1.216 9.086 1.00 0.00 C ATOM 225 O4' DG A 8 0.013 -1.692 7.754 1.00 0.00 O ATOM 226 C3' DG A 8 1.008 0.142 8.909 1.00 0.00 C ATOM 227 O3' DG A 8 2.429 0.004 9.024 1.00 0.00 O ATOM 228 C2' DG A 8 0.623 0.562 7.501 1.00 0.00 C ATOM 229 C1' DG A 8 0.445 -0.760 6.779 1.00 0.00 C ATOM 230 N9 DG A 8 -0.552 -0.730 5.715 1.00 0.00 N ATOM 231 C8 DG A 8 -1.819 -0.205 5.786 1.00 0.00 C ATOM 232 N7 DG A 8 -2.485 -0.309 4.669 1.00 0.00 N ATOM 233 C5 DG A 8 -1.605 -0.946 3.805 1.00 0.00 C ATOM 234 C6 DG A 8 -1.768 -1.331 2.452 1.00 0.00 C ATOM 235 O6 DG A 8 -2.754 -1.180 1.721 1.00 0.00 O ATOM 236 N1 DG A 8 -0.627 -1.951 1.954 1.00 0.00 N ATOM 237 C2 DG A 8 0.522 -2.177 2.670 1.00 0.00 C ATOM 238 N2 DG A 8 1.513 -2.794 2.018 1.00 0.00 N ATOM 239 N3 DG A 8 0.687 -1.825 3.935 1.00 0.00 N ATOM 240 C4 DG A 8 -0.409 -1.217 4.436 1.00 0.00 C ATOM 0 H5' DG A 8 -1.154 -2.178 10.302 1.00 0.00 H new ATOM 0 H5'' DG A 8 -0.819 -0.520 10.760 1.00 0.00 H new ATOM 0 H4' DG A 8 1.006 -1.864 9.638 1.00 0.00 H new ATOM 0 H3' DG A 8 0.707 0.870 9.662 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.294 1.151 7.494 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.398 1.173 7.037 1.00 0.00 H new ATOM 0 H1' DG A 8 1.393 -1.015 6.306 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.224 0.249 6.678 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.645 -2.261 0.983 1.00 0.00 H new ATOM 0 H21 DG A 8 2.393 -2.991 2.495 1.00 0.00 H new ATOM 0 H22 DG A 8 1.389 -3.068 1.043 1.00 0.00 H new ATOM 252 P DA A 9 3.347 1.312 9.216 1.00 0.00 P ATOM 253 OP1 DA A 9 4.429 0.979 10.179 1.00 0.00 O ATOM 254 OP2 DA A 9 2.452 2.465 9.491 1.00 0.00 O ATOM 255 O5' DA A 9 4.006 1.535 7.783 1.00 0.00 O ATOM 256 C5' DA A 9 4.610 0.452 7.074 1.00 0.00 C ATOM 257 C4' DA A 9 5.050 0.902 5.699 1.00 0.00 C ATOM 258 O4' DA A 9 3.918 0.816 4.800 1.00 0.00 O ATOM 259 C3' DA A 9 5.554 2.346 5.611 1.00 0.00 C ATOM 260 O3' DA A 9 6.695 2.422 4.749 1.00 0.00 O ATOM 261 C2' DA A 9 4.380 3.097 5.007 1.00 0.00 C ATOM 262 C1' DA A 9 3.751 2.045 4.119 1.00 0.00 C ATOM 263 N9 DA A 9 2.323 2.233 3.866 1.00 0.00 N ATOM 264 C8 DA A 9 1.342 2.562 4.770 1.00 0.00 C ATOM 265 N7 DA A 9 0.147 2.661 4.239 1.00 0.00 N ATOM 266 C5 DA A 9 0.354 2.379 2.897 1.00 0.00 C ATOM 267 C6 DA A 9 -0.518 2.321 1.796 1.00 0.00 C ATOM 268 N6 DA A 9 -1.829 2.550 1.879 1.00 0.00 N ATOM 269 N1 DA A 9 0.010 2.014 0.592 1.00 0.00 N ATOM 270 C2 DA A 9 1.328 1.782 0.509 1.00 0.00 C ATOM 271 N3 DA A 9 2.248 1.805 1.469 1.00 0.00 N ATOM 272 C4 DA A 9 1.690 2.114 2.653 1.00 0.00 C ATOM 0 H5' DA A 9 3.902 -0.372 6.985 1.00 0.00 H new ATOM 0 H5'' DA A 9 5.468 0.077 7.632 1.00 0.00 H new ATOM 0 H4' DA A 9 5.882 0.247 5.441 1.00 0.00 H new ATOM 0 H3' DA A 9 5.866 2.750 6.574 1.00 0.00 H new ATOM 0 H2' DA A 9 3.688 3.452 5.770 1.00 0.00 H new ATOM 0 H2'' DA A 9 4.703 3.969 4.439 1.00 0.00 H new ATOM 0 H1' DA A 9 4.234 2.094 3.143 1.00 0.00 H new ATOM 0 H8 DA A 9 1.537 2.724 5.820 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.411 2.493 1.043 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.250 2.782 2.778 1.00 0.00 H new ATOM 0 H2 DA A 9 1.695 1.542 -0.478 1.00 0.00 H new ATOM 284 P DT A 10 7.514 3.800 4.620 1.00 0.00 P ATOM 285 OP1 DT A 10 8.865 3.591 5.203 1.00 0.00 O ATOM 286 OP2 DT A 10 6.656 4.899 5.135 1.00 0.00 O ATOM 287 O5' DT A 10 7.676 4.005 3.047 1.00 0.00 O ATOM 288 C5' DT A 10 8.158 2.949 2.214 1.00 0.00 C ATOM 289 C4' DT A 10 7.807 3.219 0.770 1.00 0.00 C ATOM 290 O4' DT A 10 6.365 3.197 0.625 1.00 0.00 O ATOM 291 C3' DT A 10 8.262 4.580 0.233 1.00 0.00 C ATOM 292 O3' DT A 10 8.709 4.454 -1.121 1.00 0.00 O ATOM 293 C2' DT A 10 7.001 5.423 0.304 1.00 0.00 C ATOM 294 C1' DT A 10 5.930 4.395 0.007 1.00 0.00 C ATOM 295 N1 DT A 10 4.590 4.720 0.534 1.00 0.00 N ATOM 296 C2 DT A 10 3.524 4.645 -0.333 1.00 0.00 C ATOM 297 O2 DT A 10 3.636 4.322 -1.503 1.00 0.00 O ATOM 298 N3 DT A 10 2.315 4.962 0.222 1.00 0.00 N ATOM 299 C4 DT A 10 2.066 5.338 1.523 1.00 0.00 C ATOM 300 O4 DT A 10 0.918 5.593 1.874 1.00 0.00 O ATOM 301 C5 DT A 10 3.227 5.399 2.380 1.00 0.00 C ATOM 302 C7 DT A 10 3.055 5.832 3.802 1.00 0.00 C ATOM 303 C6 DT A 10 4.421 5.088 1.853 1.00 0.00 C ATOM 0 H5' DT A 10 7.724 2.000 2.530 1.00 0.00 H new ATOM 0 H5'' DT A 10 9.239 2.856 2.321 1.00 0.00 H new ATOM 0 H4' DT A 10 8.326 2.444 0.206 1.00 0.00 H new ATOM 0 H3' DT A 10 9.093 5.009 0.792 1.00 0.00 H new ATOM 0 H2' DT A 10 6.869 5.881 1.284 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.007 6.231 -0.427 1.00 0.00 H new ATOM 0 H1' DT A 10 5.813 4.337 -1.075 1.00 0.00 H new ATOM 0 H3 DT A 10 1.506 4.915 -0.398 1.00 0.00 H new ATOM 0 H71 DT A 10 2.217 6.525 3.872 1.00 0.00 H new ATOM 0 H72 DT A 10 2.859 4.960 4.427 1.00 0.00 H new ATOM 0 H73 DT A 10 3.964 6.326 4.144 1.00 0.00 H new ATOM 0 H6 DT A 10 5.291 5.128 2.492 1.00 0.00 H new ATOM 316 P DA A 11 9.311 5.734 -1.888 1.00 0.00 P ATOM 317 OP1 DA A 11 10.437 5.256 -2.729 1.00 0.00 O ATOM 318 OP2 DA A 11 9.544 6.816 -0.896 1.00 0.00 O ATOM 319 O5' DA A 11 8.130 6.197 -2.854 1.00 0.00 O ATOM 320 C5' DA A 11 7.741 5.399 -3.975 1.00 0.00 C ATOM 321 C4' DA A 11 6.783 6.167 -4.856 1.00 0.00 C ATOM 322 O4' DA A 11 5.501 6.251 -4.187 1.00 0.00 O ATOM 323 C3' DA A 11 7.195 7.608 -5.164 1.00 0.00 C ATOM 324 O3' DA A 11 6.871 7.953 -6.513 1.00 0.00 O ATOM 325 C2' DA A 11 6.365 8.433 -4.197 1.00 0.00 C ATOM 326 C1' DA A 11 5.103 7.605 -4.053 1.00 0.00 C ATOM 327 N9 DA A 11 4.425 7.748 -2.765 1.00 0.00 N ATOM 328 C8 DA A 11 5.000 7.852 -1.522 1.00 0.00 C ATOM 329 N7 DA A 11 4.134 7.973 -0.547 1.00 0.00 N ATOM 330 C5 DA A 11 2.904 7.948 -1.189 1.00 0.00 C ATOM 331 C6 DA A 11 1.585 8.036 -0.710 1.00 0.00 C ATOM 332 N6 DA A 11 1.276 8.177 0.580 1.00 0.00 N ATOM 333 N1 DA A 11 0.583 7.976 -1.614 1.00 0.00 N ATOM 334 C2 DA A 11 0.896 7.838 -2.910 1.00 0.00 C ATOM 335 N3 DA A 11 2.096 7.745 -3.482 1.00 0.00 N ATOM 336 C4 DA A 11 3.069 7.807 -2.556 1.00 0.00 C ATOM 0 H5' DA A 11 7.270 4.479 -3.629 1.00 0.00 H new ATOM 0 H5'' DA A 11 8.622 5.111 -4.548 1.00 0.00 H new ATOM 0 H4' DA A 11 6.763 5.618 -5.798 1.00 0.00 H new ATOM 0 H3' DA A 11 8.268 7.770 -5.056 1.00 0.00 H new ATOM 0 H2' DA A 11 6.872 8.569 -3.242 1.00 0.00 H new ATOM 0 H2'' DA A 11 6.154 9.428 -4.590 1.00 0.00 H new ATOM 0 HO3' DA A 11 7.141 8.879 -6.688 1.00 0.00 H new ATOM 0 H1' DA A 11 4.394 7.945 -4.808 1.00 0.00 H new ATOM 0 H8 DA A 11 6.068 7.836 -1.363 1.00 0.00 H new ATOM 0 H61 DA A 11 0.299 8.235 0.867 1.00 0.00 H new ATOM 0 H62 DA A 11 2.017 8.227 1.279 1.00 0.00 H new ATOM 0 H2 DA A 11 0.056 7.796 -3.587 1.00 0.00 H new TER 349 DA A 11