USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 DG O5' : rot 54:sc= 0.821 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.38! (180deg=-7.44!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.294 -3.722 -7.183 1.00 0.00 O ATOM 2 C5' DG A 1 3.409 -3.680 -8.604 1.00 0.00 C ATOM 3 C4' DG A 1 2.076 -3.325 -9.267 1.00 0.00 C ATOM 4 O4' DG A 1 1.077 -4.275 -8.897 1.00 0.00 O ATOM 5 C3' DG A 1 1.531 -1.963 -8.881 1.00 0.00 C ATOM 6 O3' DG A 1 2.059 -0.956 -9.752 1.00 0.00 O ATOM 7 C2' DG A 1 0.036 -2.119 -9.116 1.00 0.00 C ATOM 8 C1' DG A 1 -0.197 -3.610 -8.860 1.00 0.00 C ATOM 9 N9 DG A 1 -0.822 -3.889 -7.553 1.00 0.00 N ATOM 10 C8 DG A 1 -2.133 -3.770 -7.187 1.00 0.00 C ATOM 11 N7 DG A 1 -2.390 -4.064 -5.948 1.00 0.00 N ATOM 12 C5 DG A 1 -1.140 -4.412 -5.437 1.00 0.00 C ATOM 13 C6 DG A 1 -0.777 -4.828 -4.127 1.00 0.00 C ATOM 14 O6 DG A 1 -1.499 -4.968 -3.143 1.00 0.00 O ATOM 15 N1 DG A 1 0.585 -5.085 -4.033 1.00 0.00 N ATOM 16 C2 DG A 1 1.488 -4.957 -5.069 1.00 0.00 C ATOM 17 N2 DG A 1 2.756 -5.253 -4.783 1.00 0.00 N ATOM 18 N3 DG A 1 1.152 -4.563 -6.302 1.00 0.00 N ATOM 19 C4 DG A 1 -0.173 -4.309 -6.414 1.00 0.00 C ATOM 0 H5' DG A 1 3.752 -4.648 -8.971 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.164 -2.946 -8.887 1.00 0.00 H new ATOM 0 H4' DG A 1 2.289 -3.325 -10.336 1.00 0.00 H new ATOM 0 H3' DG A 1 1.786 -1.666 -7.864 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.547 -1.497 -8.437 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.245 -1.834 -10.130 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.567 -4.329 -6.931 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.880 -3.968 -9.630 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.900 -3.454 -7.878 1.00 0.00 H new ATOM 0 H1 DG A 1 0.945 -5.392 -3.129 1.00 0.00 H new ATOM 0 H21 DG A 1 3.472 -5.179 -5.505 1.00 0.00 H new ATOM 0 H22 DG A 1 3.010 -5.554 -3.842 1.00 0.00 H new ATOM 32 P DG A 2 2.273 0.545 -9.215 1.00 0.00 P ATOM 33 OP1 DG A 2 2.819 1.363 -10.321 1.00 0.00 O ATOM 34 OP2 DG A 2 2.994 0.473 -7.924 1.00 0.00 O ATOM 35 O5' DG A 2 0.764 1.032 -8.923 1.00 0.00 O ATOM 36 C5' DG A 2 -0.165 1.193 -9.999 1.00 0.00 C ATOM 37 C4' DG A 2 -1.604 1.311 -9.496 1.00 0.00 C ATOM 38 O4' DG A 2 -1.995 0.120 -8.811 1.00 0.00 O ATOM 39 C3' DG A 2 -1.832 2.463 -8.527 1.00 0.00 C ATOM 40 O3' DG A 2 -2.205 3.643 -9.241 1.00 0.00 O ATOM 41 C2' DG A 2 -2.996 1.973 -7.688 1.00 0.00 C ATOM 42 C1' DG A 2 -2.715 0.474 -7.621 1.00 0.00 C ATOM 43 N9 DG A 2 -1.890 0.077 -6.463 1.00 0.00 N ATOM 44 C8 DG A 2 -0.530 0.016 -6.357 1.00 0.00 C ATOM 45 N7 DG A 2 -0.082 -0.340 -5.189 1.00 0.00 N ATOM 46 C5 DG A 2 -1.247 -0.537 -4.447 1.00 0.00 C ATOM 47 C6 DG A 2 -1.408 -0.935 -3.091 1.00 0.00 C ATOM 48 O6 DG A 2 -0.537 -1.191 -2.263 1.00 0.00 O ATOM 49 N1 DG A 2 -2.750 -1.014 -2.740 1.00 0.00 N ATOM 50 C2 DG A 2 -3.808 -0.744 -3.584 1.00 0.00 C ATOM 51 N2 DG A 2 -5.029 -0.879 -3.065 1.00 0.00 N ATOM 52 N3 DG A 2 -3.660 -0.367 -4.858 1.00 0.00 N ATOM 53 C4 DG A 2 -2.359 -0.285 -5.221 1.00 0.00 C ATOM 0 H5' DG A 2 -0.086 0.343 -10.677 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.094 2.083 -10.572 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.195 1.487 -10.395 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.949 2.718 -7.941 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.011 2.432 -6.699 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.957 2.189 -8.154 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.673 -0.036 -7.524 1.00 0.00 H new ATOM 0 H8 DG A 2 0.126 0.247 -7.183 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.970 -1.293 -1.784 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.851 -0.693 -3.640 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.141 -1.168 -2.093 1.00 0.00 H new ATOM 65 P DG A 3 -2.144 5.075 -8.511 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.193 6.128 -9.550 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.029 5.050 -7.537 1.00 0.00 O ATOM 68 O5' DG A 3 -3.531 5.108 -7.696 1.00 0.00 O ATOM 69 C5' DG A 3 -4.777 4.985 -8.385 1.00 0.00 C ATOM 70 C4' DG A 3 -5.956 4.939 -7.418 1.00 0.00 C ATOM 71 O4' DG A 3 -5.663 4.003 -6.367 1.00 0.00 O ATOM 72 C3' DG A 3 -6.264 6.280 -6.758 1.00 0.00 C ATOM 73 O3' DG A 3 -7.682 6.466 -6.707 1.00 0.00 O ATOM 74 C2' DG A 3 -5.711 6.166 -5.344 1.00 0.00 C ATOM 75 C1' DG A 3 -5.647 4.663 -5.098 1.00 0.00 C ATOM 76 N9 DG A 3 -4.431 4.223 -4.385 1.00 0.00 N ATOM 77 C8 DG A 3 -3.141 4.175 -4.832 1.00 0.00 C ATOM 78 N7 DG A 3 -2.272 3.750 -3.965 1.00 0.00 N ATOM 79 C5 DG A 3 -3.047 3.491 -2.838 1.00 0.00 C ATOM 80 C6 DG A 3 -2.659 3.003 -1.561 1.00 0.00 C ATOM 81 O6 DG A 3 -1.533 2.699 -1.170 1.00 0.00 O ATOM 82 N1 DG A 3 -3.749 2.882 -0.709 1.00 0.00 N ATOM 83 C2 DG A 3 -5.052 3.190 -1.041 1.00 0.00 C ATOM 84 N2 DG A 3 -5.965 3.006 -0.087 1.00 0.00 N ATOM 85 N3 DG A 3 -5.420 3.652 -2.240 1.00 0.00 N ATOM 86 C4 DG A 3 -4.372 3.777 -3.086 1.00 0.00 C ATOM 0 H5' DG A 3 -4.769 4.080 -8.992 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.899 5.826 -9.068 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.824 4.650 -8.011 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.830 7.120 -7.300 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.727 6.627 -5.261 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.358 6.663 -4.620 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.502 4.411 -4.470 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.864 4.469 -5.834 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.572 2.539 0.235 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.946 3.216 -0.272 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.683 2.655 0.828 1.00 0.00 H new ATOM 98 P DG A 4 -8.428 7.367 -7.813 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.625 8.593 -8.028 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.855 7.475 -7.438 1.00 0.00 O ATOM 101 O5' DG A 4 -8.324 6.456 -9.137 1.00 0.00 O ATOM 102 C5' DG A 4 -9.422 6.378 -10.048 1.00 0.00 C ATOM 103 C4' DG A 4 -8.988 5.826 -11.404 1.00 0.00 C ATOM 104 O4' DG A 4 -8.077 6.748 -12.007 1.00 0.00 O ATOM 105 C3' DG A 4 -8.291 4.476 -11.320 1.00 0.00 C ATOM 106 O3' DG A 4 -8.668 3.676 -12.446 1.00 0.00 O ATOM 107 C2' DG A 4 -6.807 4.806 -11.395 1.00 0.00 C ATOM 108 C1' DG A 4 -6.763 6.178 -12.067 1.00 0.00 C ATOM 109 N9 DG A 4 -5.839 7.128 -11.422 1.00 0.00 N ATOM 110 C8 DG A 4 -6.077 8.002 -10.402 1.00 0.00 C ATOM 111 N7 DG A 4 -5.057 8.723 -10.044 1.00 0.00 N ATOM 112 C5 DG A 4 -4.046 8.292 -10.900 1.00 0.00 C ATOM 113 C6 DG A 4 -2.692 8.712 -10.993 1.00 0.00 C ATOM 114 O6 DG A 4 -2.110 9.563 -10.324 1.00 0.00 O ATOM 115 N1 DG A 4 -2.014 8.025 -11.991 1.00 0.00 N ATOM 116 C2 DG A 4 -2.566 7.053 -12.800 1.00 0.00 C ATOM 117 N2 DG A 4 -1.754 6.505 -13.706 1.00 0.00 N ATOM 118 N3 DG A 4 -3.838 6.656 -12.716 1.00 0.00 N ATOM 119 C4 DG A 4 -4.517 7.315 -11.748 1.00 0.00 C ATOM 0 H5' DG A 4 -9.857 7.369 -10.180 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.200 5.741 -9.627 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.898 5.692 -11.989 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.548 3.923 -10.417 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.354 4.833 -10.404 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.262 4.061 -11.974 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.410 6.018 -13.086 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.043 8.088 -9.927 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.032 8.257 -12.138 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.104 5.781 -14.333 1.00 0.00 H new ATOM 0 H22 DG A 4 -0.783 6.810 -13.771 1.00 0.00 H new ATOM 131 P DC A 5 -9.698 2.450 -12.270 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.017 1.916 -13.613 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.790 2.890 -11.373 1.00 0.00 O ATOM 134 O5' DC A 5 -8.815 1.353 -11.487 1.00 0.00 O ATOM 135 C5' DC A 5 -7.619 0.834 -12.076 1.00 0.00 C ATOM 136 C4' DC A 5 -6.912 -0.158 -11.150 1.00 0.00 C ATOM 137 O4' DC A 5 -6.522 0.438 -9.927 1.00 0.00 O ATOM 138 C3' DC A 5 -7.766 -1.369 -10.766 1.00 0.00 C ATOM 139 O3' DC A 5 -7.415 -2.470 -11.616 1.00 0.00 O ATOM 140 C2' DC A 5 -7.381 -1.694 -9.333 1.00 0.00 C ATOM 141 C1' DC A 5 -6.326 -0.648 -9.017 1.00 0.00 C ATOM 142 N1 DC A 5 -6.383 -0.113 -7.642 1.00 0.00 N ATOM 143 C2 DC A 5 -5.999 -0.962 -6.616 1.00 0.00 C ATOM 144 O2 DC A 5 -5.638 -2.110 -6.871 1.00 0.00 O ATOM 145 N3 DC A 5 -6.015 -0.487 -5.340 1.00 0.00 N ATOM 146 C4 DC A 5 -6.394 0.773 -5.080 1.00 0.00 C ATOM 147 N4 DC A 5 -6.394 1.209 -3.819 1.00 0.00 N ATOM 148 C5 DC A 5 -6.793 1.653 -6.137 1.00 0.00 C ATOM 149 C6 DC A 5 -6.773 1.171 -7.396 1.00 0.00 C ATOM 0 H5' DC A 5 -6.943 1.656 -12.311 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.862 0.342 -13.018 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.053 -0.479 -11.739 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.834 -1.176 -10.867 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.235 -1.622 -8.659 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.986 -2.706 -9.241 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.354 -1.132 -9.114 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.680 2.165 -3.610 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.108 0.586 -3.064 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.100 2.668 -5.933 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.068 1.807 -8.217 1.00 0.00 H new ATOM 161 P DG A 6 -8.487 -3.626 -11.956 1.00 0.00 P ATOM 162 OP1 DG A 6 -7.910 -4.496 -13.005 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.803 -2.983 -12.175 1.00 0.00 O ATOM 164 O5' DG A 6 -8.556 -4.471 -10.582 1.00 0.00 O ATOM 165 C5' DG A 6 -9.636 -5.382 -10.346 1.00 0.00 C ATOM 166 C4' DG A 6 -9.572 -6.014 -8.955 1.00 0.00 C ATOM 167 O4' DG A 6 -8.402 -6.806 -8.805 1.00 0.00 O ATOM 168 C3' DG A 6 -9.536 -5.023 -7.806 1.00 0.00 C ATOM 169 O3' DG A 6 -10.866 -4.635 -7.458 1.00 0.00 O ATOM 170 C2' DG A 6 -8.922 -5.836 -6.673 1.00 0.00 C ATOM 171 C1' DG A 6 -8.106 -6.905 -7.404 1.00 0.00 C ATOM 172 N9 DG A 6 -6.655 -6.746 -7.230 1.00 0.00 N ATOM 173 C8 DG A 6 -5.769 -6.044 -7.993 1.00 0.00 C ATOM 174 N7 DG A 6 -4.541 -6.068 -7.571 1.00 0.00 N ATOM 175 C5 DG A 6 -4.614 -6.856 -6.423 1.00 0.00 C ATOM 176 C6 DG A 6 -3.590 -7.247 -5.521 1.00 0.00 C ATOM 177 O6 DG A 6 -2.395 -6.966 -5.557 1.00 0.00 O ATOM 178 N1 DG A 6 -4.088 -8.041 -4.496 1.00 0.00 N ATOM 179 C2 DG A 6 -5.408 -8.416 -4.354 1.00 0.00 C ATOM 180 N2 DG A 6 -5.692 -9.182 -3.300 1.00 0.00 N ATOM 181 N3 DG A 6 -6.374 -8.051 -5.202 1.00 0.00 N ATOM 182 C4 DG A 6 -5.906 -7.276 -6.208 1.00 0.00 C ATOM 0 H5' DG A 6 -9.616 -6.168 -11.101 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.583 -4.855 -10.460 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.492 -6.595 -8.901 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.986 -4.111 -8.036 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.293 -5.219 -6.031 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.687 -6.280 -6.037 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.380 -7.873 -6.984 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.066 -5.508 -8.882 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.427 -8.373 -3.794 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.650 -9.493 -3.139 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.951 -9.457 -2.655 1.00 0.00 H new ATOM 194 P DG A 7 -11.165 -3.163 -6.875 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.629 -2.946 -6.907 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.262 -2.202 -7.546 1.00 0.00 O ATOM 197 O5' DG A 7 -10.707 -3.293 -5.334 1.00 0.00 O ATOM 198 C5' DG A 7 -11.417 -4.167 -4.455 1.00 0.00 C ATOM 199 C4' DG A 7 -10.970 -4.028 -2.998 1.00 0.00 C ATOM 200 O4' DG A 7 -9.686 -4.624 -2.736 1.00 0.00 O ATOM 201 C3' DG A 7 -10.863 -2.589 -2.480 1.00 0.00 C ATOM 202 O3' DG A 7 -12.051 -2.262 -1.747 1.00 0.00 O ATOM 203 C2' DG A 7 -9.661 -2.631 -1.525 1.00 0.00 C ATOM 204 C1' DG A 7 -9.390 -4.125 -1.441 1.00 0.00 C ATOM 205 N9 DG A 7 -8.014 -4.516 -1.044 1.00 0.00 N ATOM 206 C8 DG A 7 -7.604 -4.970 0.175 1.00 0.00 C ATOM 207 N7 DG A 7 -6.338 -5.216 0.283 1.00 0.00 N ATOM 208 C5 DG A 7 -5.839 -4.905 -0.976 1.00 0.00 C ATOM 209 C6 DG A 7 -4.504 -4.978 -1.455 1.00 0.00 C ATOM 210 O6 DG A 7 -3.496 -5.328 -0.846 1.00 0.00 O ATOM 211 N1 DG A 7 -4.414 -4.581 -2.778 1.00 0.00 N ATOM 212 C2 DG A 7 -5.478 -4.163 -3.554 1.00 0.00 C ATOM 213 N2 DG A 7 -5.187 -3.825 -4.809 1.00 0.00 N ATOM 214 N3 DG A 7 -6.745 -4.089 -3.106 1.00 0.00 N ATOM 215 C4 DG A 7 -6.852 -4.474 -1.809 1.00 0.00 C ATOM 0 H5' DG A 7 -11.272 -5.198 -4.779 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.484 -3.958 -4.525 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.774 -4.549 -2.479 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.747 -1.852 -3.275 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.806 -2.081 -1.918 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.896 -2.202 -0.551 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.005 -4.543 -0.644 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.291 -5.115 0.996 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.492 -4.598 -3.213 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.926 -3.508 -5.436 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.225 -3.884 -5.143 1.00 0.00 H new ATOM 227 P DG A 8 -12.324 -0.761 -1.239 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.749 -0.660 -0.854 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.760 0.175 -2.237 1.00 0.00 O ATOM 230 O5' DG A 8 -11.431 -0.672 0.101 1.00 0.00 O ATOM 231 C5' DG A 8 -11.711 -1.530 1.210 1.00 0.00 C ATOM 232 C4' DG A 8 -10.559 -1.568 2.207 1.00 0.00 C ATOM 233 O4' DG A 8 -9.375 -2.056 1.601 1.00 0.00 O ATOM 234 C3' DG A 8 -10.195 -0.212 2.795 1.00 0.00 C ATOM 235 O3' DG A 8 -10.890 -0.020 4.031 1.00 0.00 O ATOM 236 C2' DG A 8 -8.695 -0.310 3.064 1.00 0.00 C ATOM 237 C1' DG A 8 -8.286 -1.641 2.425 1.00 0.00 C ATOM 238 N9 DG A 8 -7.077 -1.565 1.584 1.00 0.00 N ATOM 239 C8 DG A 8 -6.956 -1.214 0.270 1.00 0.00 C ATOM 240 N7 DG A 8 -5.740 -1.231 -0.196 1.00 0.00 N ATOM 241 C5 DG A 8 -4.983 -1.630 0.906 1.00 0.00 C ATOM 242 C6 DG A 8 -3.580 -1.833 1.025 1.00 0.00 C ATOM 243 O6 DG A 8 -2.713 -1.693 0.164 1.00 0.00 O ATOM 244 N1 DG A 8 -3.231 -2.236 2.309 1.00 0.00 N ATOM 245 C2 DG A 8 -4.117 -2.422 3.349 1.00 0.00 C ATOM 246 N2 DG A 8 -3.594 -2.817 4.509 1.00 0.00 N ATOM 247 N3 DG A 8 -5.435 -2.229 3.241 1.00 0.00 N ATOM 248 C4 DG A 8 -5.795 -1.837 1.998 1.00 0.00 C ATOM 0 H5' DG A 8 -11.910 -2.538 0.847 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.615 -1.188 1.714 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.923 -2.220 3.001 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.455 0.616 2.136 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.155 0.527 2.621 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.480 -0.298 4.133 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.054 -2.336 3.232 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.806 -0.942 -0.338 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.243 -2.407 2.496 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.199 -2.971 5.315 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.588 -2.965 4.591 1.00 0.00 H new ATOM 260 P DG A 9 -10.789 1.387 4.804 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.878 1.446 5.805 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.660 2.458 3.792 1.00 0.00 O ATOM 263 O5' DG A 9 -9.386 1.261 5.589 1.00 0.00 O ATOM 264 C5' DG A 9 -9.152 0.177 6.493 1.00 0.00 C ATOM 265 C4' DG A 9 -7.677 0.079 6.894 1.00 0.00 C ATOM 266 O4' DG A 9 -6.847 0.093 5.715 1.00 0.00 O ATOM 267 C3' DG A 9 -7.183 1.243 7.770 1.00 0.00 C ATOM 268 O3' DG A 9 -6.264 0.753 8.756 1.00 0.00 O ATOM 269 C2' DG A 9 -6.411 2.100 6.786 1.00 0.00 C ATOM 270 C1' DG A 9 -5.779 0.998 5.976 1.00 0.00 C ATOM 271 N9 DG A 9 -5.153 1.405 4.709 1.00 0.00 N ATOM 272 C8 DG A 9 -5.712 1.889 3.561 1.00 0.00 C ATOM 273 N7 DG A 9 -4.863 2.169 2.614 1.00 0.00 N ATOM 274 C5 DG A 9 -3.631 1.840 3.185 1.00 0.00 C ATOM 275 C6 DG A 9 -2.317 1.925 2.646 1.00 0.00 C ATOM 276 O6 DG A 9 -1.971 2.319 1.534 1.00 0.00 O ATOM 277 N1 DG A 9 -1.363 1.490 3.561 1.00 0.00 N ATOM 278 C2 DG A 9 -1.637 1.032 4.834 1.00 0.00 C ATOM 279 N2 DG A 9 -0.592 0.653 5.569 1.00 0.00 N ATOM 280 N3 DG A 9 -2.866 0.955 5.338 1.00 0.00 N ATOM 281 C4 DG A 9 -3.808 1.374 4.464 1.00 0.00 C ATOM 0 H5' DG A 9 -9.465 -0.758 6.028 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.763 0.310 7.386 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.603 -0.848 7.463 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.990 1.762 8.287 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.056 2.746 6.190 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.676 2.743 7.271 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.947 0.581 6.543 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.777 2.029 3.447 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.386 1.511 3.268 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.735 0.306 6.517 1.00 0.00 H new ATOM 0 H22 DG A 9 0.350 0.710 5.183 1.00 0.00 H new ATOM 293 P DC A 10 -6.775 0.109 10.138 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.027 0.790 10.534 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.630 0.064 11.077 1.00 0.00 O ATOM 296 O5' DC A 10 -7.128 -1.399 9.708 1.00 0.00 O ATOM 297 C5' DC A 10 -6.082 -2.338 9.437 1.00 0.00 C ATOM 298 C4' DC A 10 -6.632 -3.748 9.263 1.00 0.00 C ATOM 299 O4' DC A 10 -7.216 -4.182 10.494 1.00 0.00 O ATOM 300 C3' DC A 10 -7.705 -3.851 8.192 1.00 0.00 C ATOM 301 O3' DC A 10 -7.653 -5.144 7.584 1.00 0.00 O ATOM 302 C2' DC A 10 -9.002 -3.699 8.969 1.00 0.00 C ATOM 303 C1' DC A 10 -8.644 -4.209 10.364 1.00 0.00 C ATOM 304 N1 DC A 10 -9.202 -3.402 11.467 1.00 0.00 N ATOM 305 C2 DC A 10 -10.471 -3.728 11.920 1.00 0.00 C ATOM 306 O2 DC A 10 -11.090 -4.652 11.399 1.00 0.00 O ATOM 307 N3 DC A 10 -10.995 -3.006 12.948 1.00 0.00 N ATOM 308 C4 DC A 10 -10.306 -2.004 13.508 1.00 0.00 C ATOM 309 N4 DC A 10 -10.849 -1.318 14.515 1.00 0.00 N ATOM 310 C5 DC A 10 -8.996 -1.661 13.042 1.00 0.00 C ATOM 311 C6 DC A 10 -8.485 -2.382 12.024 1.00 0.00 C ATOM 0 H5' DC A 10 -5.360 -2.326 10.253 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.548 -2.040 8.534 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.788 -4.368 8.960 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.594 -3.112 7.398 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.335 -2.662 8.994 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.808 -4.282 8.523 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.070 -5.209 10.448 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.332 -0.553 14.948 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.781 -1.559 14.852 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.437 -0.853 13.490 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.500 -2.151 11.646 1.00 0.00 H new ATOM 323 P DG A 11 -6.821 -5.368 6.223 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.687 -4.063 5.541 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.408 -6.522 5.506 1.00 0.00 O ATOM 326 O5' DG A 11 -5.368 -5.800 6.768 1.00 0.00 O ATOM 327 C5' DG A 11 -5.227 -6.961 7.585 1.00 0.00 C ATOM 328 C4' DG A 11 -3.765 -7.358 7.772 1.00 0.00 C ATOM 329 O4' DG A 11 -3.193 -7.833 6.543 1.00 0.00 O ATOM 330 C3' DG A 11 -2.859 -6.232 8.246 1.00 0.00 C ATOM 331 O3' DG A 11 -2.854 -6.185 9.677 1.00 0.00 O ATOM 332 C2' DG A 11 -1.479 -6.642 7.738 1.00 0.00 C ATOM 333 C1' DG A 11 -1.774 -7.720 6.687 1.00 0.00 C ATOM 334 N9 DG A 11 -1.193 -7.426 5.363 1.00 0.00 N ATOM 335 C8 DG A 11 0.100 -7.568 4.955 1.00 0.00 C ATOM 336 N7 DG A 11 0.335 -7.217 3.728 1.00 0.00 N ATOM 337 C5 DG A 11 -0.913 -6.803 3.270 1.00 0.00 C ATOM 338 C6 DG A 11 -1.293 -6.307 1.995 1.00 0.00 C ATOM 339 O6 DG A 11 -0.587 -6.134 1.004 1.00 0.00 O ATOM 340 N1 DG A 11 -2.647 -6.004 1.948 1.00 0.00 N ATOM 341 C2 DG A 11 -3.530 -6.157 2.997 1.00 0.00 C ATOM 342 N2 DG A 11 -4.793 -5.807 2.758 1.00 0.00 N ATOM 343 N3 DG A 11 -3.177 -6.626 4.200 1.00 0.00 N ATOM 344 C4 DG A 11 -1.858 -6.927 4.266 1.00 0.00 C ATOM 0 H5' DG A 11 -5.772 -7.790 7.133 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.679 -6.775 8.559 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.807 -8.130 8.540 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.172 -5.251 7.889 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.946 -5.796 7.303 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.856 -7.030 8.544 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.318 -8.645 7.039 1.00 0.00 H new ATOM 0 H8 DG A 11 0.874 -7.946 5.607 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.018 -5.640 1.070 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.495 -5.896 3.493 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.058 -5.450 1.840 1.00 0.00 H new ATOM 356 P DG A 12 -2.672 -4.782 10.444 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.736 -5.036 11.902 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.588 -3.800 9.824 1.00 0.00 O ATOM 359 O5' DG A 12 -1.160 -4.372 10.072 1.00 0.00 O ATOM 360 C5' DG A 12 -0.063 -5.162 10.537 1.00 0.00 C ATOM 361 C4' DG A 12 1.206 -4.895 9.732 1.00 0.00 C ATOM 362 O4' DG A 12 0.984 -5.147 8.351 1.00 0.00 O ATOM 363 C3' DG A 12 1.708 -3.460 9.817 1.00 0.00 C ATOM 364 O3' DG A 12 2.640 -3.343 10.894 1.00 0.00 O ATOM 365 C2' DG A 12 2.421 -3.230 8.489 1.00 0.00 C ATOM 366 C1' DG A 12 1.840 -4.308 7.567 1.00 0.00 C ATOM 367 N9 DG A 12 1.040 -3.773 6.449 1.00 0.00 N ATOM 368 C8 DG A 12 -0.293 -3.478 6.406 1.00 0.00 C ATOM 369 N7 DG A 12 -0.720 -3.012 5.271 1.00 0.00 N ATOM 370 C5 DG A 12 0.429 -2.992 4.484 1.00 0.00 C ATOM 371 C6 DG A 12 0.602 -2.580 3.134 1.00 0.00 C ATOM 372 O6 DG A 12 -0.243 -2.136 2.359 1.00 0.00 O ATOM 373 N1 DG A 12 1.920 -2.722 2.723 1.00 0.00 N ATOM 374 C2 DG A 12 2.948 -3.202 3.508 1.00 0.00 C ATOM 375 N2 DG A 12 4.149 -3.270 2.932 1.00 0.00 N ATOM 376 N3 DG A 12 2.790 -3.588 4.778 1.00 0.00 N ATOM 377 C4 DG A 12 1.511 -3.457 5.197 1.00 0.00 C ATOM 0 H5' DG A 12 -0.321 -6.219 10.469 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.121 -4.945 11.589 1.00 0.00 H new ATOM 0 H4' DG A 12 1.949 -5.561 10.171 1.00 0.00 H new ATOM 0 H3' DG A 12 0.908 -2.741 9.992 1.00 0.00 H new ATOM 0 H2' DG A 12 2.232 -2.229 8.102 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.501 -3.333 8.592 1.00 0.00 H new ATOM 0 H1' DG A 12 2.685 -4.841 7.133 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.945 -3.622 7.255 1.00 0.00 H new ATOM 0 H1 DG A 12 2.146 -2.450 1.766 1.00 0.00 H new ATOM 0 H21 DG A 12 4.949 -3.617 3.461 1.00 0.00 H new ATOM 0 H22 DG A 12 4.267 -2.975 1.963 1.00 0.00 H new ATOM 389 P DG A 13 3.042 -1.895 11.468 1.00 0.00 P ATOM 390 OP1 DG A 13 3.758 -2.088 12.750 1.00 0.00 O ATOM 391 OP2 DG A 13 1.845 -1.026 11.413 1.00 0.00 O ATOM 392 O5' DG A 13 4.100 -1.369 10.374 1.00 0.00 O ATOM 393 C5' DG A 13 5.315 -2.088 10.144 1.00 0.00 C ATOM 394 C4' DG A 13 6.039 -1.602 8.890 1.00 0.00 C ATOM 395 O4' DG A 13 5.189 -1.663 7.767 1.00 0.00 O ATOM 396 C3' DG A 13 6.522 -0.160 8.965 1.00 0.00 C ATOM 397 O3' DG A 13 7.867 -0.133 9.448 1.00 0.00 O ATOM 398 C2' DG A 13 6.486 0.326 7.516 1.00 0.00 C ATOM 399 C1' DG A 13 5.623 -0.711 6.792 1.00 0.00 C ATOM 400 N9 DG A 13 4.426 -0.151 6.139 1.00 0.00 N ATOM 401 C8 DG A 13 3.179 0.060 6.654 1.00 0.00 C ATOM 402 N7 DG A 13 2.320 0.580 5.827 1.00 0.00 N ATOM 403 C5 DG A 13 3.060 0.729 4.655 1.00 0.00 C ATOM 404 C6 DG A 13 2.668 1.249 3.389 1.00 0.00 C ATOM 405 O6 DG A 13 1.572 1.691 3.053 1.00 0.00 O ATOM 406 N1 DG A 13 3.719 1.220 2.481 1.00 0.00 N ATOM 407 C2 DG A 13 4.988 0.750 2.751 1.00 0.00 C ATOM 408 N2 DG A 13 5.863 0.797 1.747 1.00 0.00 N ATOM 409 N3 DG A 13 5.358 0.264 3.939 1.00 0.00 N ATOM 410 C4 DG A 13 4.350 0.283 4.839 1.00 0.00 C ATOM 0 H5' DG A 13 5.094 -3.151 10.046 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.971 -1.977 11.007 1.00 0.00 H new ATOM 0 H4' DG A 13 6.900 -2.265 8.807 1.00 0.00 H new ATOM 0 H3' DG A 13 5.916 0.456 9.630 1.00 0.00 H new ATOM 0 H2' DG A 13 6.055 1.324 7.442 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.487 0.379 7.089 1.00 0.00 H new ATOM 0 H1' DG A 13 6.236 -1.146 6.002 1.00 0.00 H new ATOM 0 H8 DG A 13 2.924 -0.187 7.674 1.00 0.00 H new ATOM 0 H1 DG A 13 3.539 1.574 1.541 1.00 0.00 H new ATOM 0 H21 DG A 13 6.817 0.464 1.886 1.00 0.00 H new ATOM 0 H22 DG A 13 5.579 1.166 0.840 1.00 0.00 H new ATOM 422 P DG A 14 8.417 1.151 10.246 1.00 0.00 P ATOM 423 OP1 DG A 14 9.719 0.797 10.853 1.00 0.00 O ATOM 424 OP2 DG A 14 7.322 1.668 11.096 1.00 0.00 O ATOM 425 O5' DG A 14 8.685 2.210 9.062 1.00 0.00 O ATOM 426 C5' DG A 14 9.580 1.896 7.991 1.00 0.00 C ATOM 427 C4' DG A 14 9.295 2.737 6.749 1.00 0.00 C ATOM 428 O4' DG A 14 7.884 2.671 6.480 1.00 0.00 O ATOM 429 C3' DG A 14 9.675 4.208 6.905 1.00 0.00 C ATOM 430 O3' DG A 14 10.412 4.617 5.750 1.00 0.00 O ATOM 431 C2' DG A 14 8.363 4.981 6.963 1.00 0.00 C ATOM 432 C1' DG A 14 7.282 3.951 6.673 1.00 0.00 C ATOM 433 N9 DG A 14 6.292 3.815 7.754 1.00 0.00 N ATOM 434 C8 DG A 14 6.492 3.550 9.077 1.00 0.00 C ATOM 435 N7 DG A 14 5.413 3.483 9.796 1.00 0.00 N ATOM 436 C5 DG A 14 4.400 3.725 8.870 1.00 0.00 C ATOM 437 C6 DG A 14 2.993 3.780 9.055 1.00 0.00 C ATOM 438 O6 DG A 14 2.353 3.630 10.093 1.00 0.00 O ATOM 439 N1 DG A 14 2.334 4.046 7.861 1.00 0.00 N ATOM 440 C2 DG A 14 2.949 4.235 6.641 1.00 0.00 C ATOM 441 N2 DG A 14 2.146 4.473 5.604 1.00 0.00 N ATOM 442 N3 DG A 14 4.273 4.187 6.465 1.00 0.00 N ATOM 443 C4 DG A 14 4.932 3.927 7.616 1.00 0.00 C ATOM 0 H5' DG A 14 9.492 0.838 7.742 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.607 2.063 8.315 1.00 0.00 H new ATOM 0 H4' DG A 14 9.901 2.330 5.940 1.00 0.00 H new ATOM 0 H3' DG A 14 10.281 4.381 7.794 1.00 0.00 H new ATOM 0 H2' DG A 14 8.218 5.439 7.941 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.347 5.786 6.229 1.00 0.00 H new ATOM 0 H1' DG A 14 6.763 4.303 5.782 1.00 0.00 H new ATOM 0 H8 DG A 14 7.477 3.406 9.496 1.00 0.00 H new ATOM 0 H1 DG A 14 1.316 4.106 7.889 1.00 0.00 H new ATOM 0 H21 DG A 14 2.542 4.621 4.676 1.00 0.00 H new ATOM 0 H22 DG A 14 1.136 4.507 5.739 1.00 0.00 H new ATOM 455 P DC A 15 12.002 4.851 5.825 1.00 0.00 P ATOM 456 OP1 DC A 15 12.323 5.461 7.134 1.00 0.00 O ATOM 457 OP2 DC A 15 12.432 5.518 4.576 1.00 0.00 O ATOM 458 O5' DC A 15 12.577 3.347 5.815 1.00 0.00 O ATOM 459 C5' DC A 15 13.010 2.752 4.589 1.00 0.00 C ATOM 460 C4' DC A 15 13.703 1.415 4.830 1.00 0.00 C ATOM 461 O4' DC A 15 14.854 1.619 5.652 1.00 0.00 O ATOM 462 C3' DC A 15 12.829 0.386 5.532 1.00 0.00 C ATOM 463 O3' DC A 15 13.208 -0.929 5.119 1.00 0.00 O ATOM 464 C2' DC A 15 13.175 0.574 6.997 1.00 0.00 C ATOM 465 C1' DC A 15 14.616 1.067 6.954 1.00 0.00 C ATOM 466 N1 DC A 15 14.925 2.112 7.948 1.00 0.00 N ATOM 467 C2 DC A 15 15.337 1.692 9.202 1.00 0.00 C ATOM 468 O2 DC A 15 15.421 0.492 9.450 1.00 0.00 O ATOM 469 N3 DC A 15 15.636 2.636 10.134 1.00 0.00 N ATOM 470 C4 DC A 15 15.536 3.940 9.849 1.00 0.00 C ATOM 471 N4 DC A 15 15.840 4.838 10.788 1.00 0.00 N ATOM 472 C5 DC A 15 15.112 4.380 8.556 1.00 0.00 C ATOM 473 C6 DC A 15 14.817 3.438 7.639 1.00 0.00 C ATOM 0 H5' DC A 15 13.693 3.429 4.076 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.153 2.605 3.932 1.00 0.00 H new ATOM 0 H4' DC A 15 13.954 1.029 3.842 1.00 0.00 H new ATOM 0 H3' DC A 15 11.767 0.505 5.318 1.00 0.00 H new ATOM 0 H2' DC A 15 12.516 1.298 7.477 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.085 -0.358 7.555 1.00 0.00 H new ATOM 0 H1' DC A 15 15.250 0.211 7.183 1.00 0.00 H new ATOM 0 H41 DC A 15 15.768 5.835 10.583 1.00 0.00 H new ATOM 0 H42 DC A 15 16.145 4.528 11.711 1.00 0.00 H new ATOM 0 H5 DC A 15 15.031 5.431 8.323 1.00 0.00 H new ATOM 0 H6 DC A 15 14.493 3.734 6.652 1.00 0.00 H new ATOM 485 P DG A 16 12.574 -1.586 3.795 1.00 0.00 P ATOM 486 OP1 DG A 16 12.930 -3.022 3.778 1.00 0.00 O ATOM 487 OP2 DG A 16 12.921 -0.727 2.640 1.00 0.00 O ATOM 488 O5' DG A 16 10.990 -1.461 4.064 1.00 0.00 O ATOM 489 C5' DG A 16 10.405 -2.017 5.247 1.00 0.00 C ATOM 490 C4' DG A 16 8.888 -1.850 5.259 1.00 0.00 C ATOM 491 O4' DG A 16 8.587 -0.452 5.198 1.00 0.00 O ATOM 492 C3' DG A 16 8.191 -2.536 4.091 1.00 0.00 C ATOM 493 O3' DG A 16 7.027 -3.219 4.571 1.00 0.00 O ATOM 494 C2' DG A 16 7.770 -1.412 3.150 1.00 0.00 C ATOM 495 C1' DG A 16 8.020 -0.123 3.928 1.00 0.00 C ATOM 496 N9 DG A 16 8.950 0.804 3.258 1.00 0.00 N ATOM 497 C8 DG A 16 10.146 0.536 2.657 1.00 0.00 C ATOM 498 N7 DG A 16 10.744 1.564 2.133 1.00 0.00 N ATOM 499 C5 DG A 16 9.870 2.614 2.405 1.00 0.00 C ATOM 500 C6 DG A 16 9.976 3.994 2.081 1.00 0.00 C ATOM 501 O6 DG A 16 10.877 4.568 1.473 1.00 0.00 O ATOM 502 N1 DG A 16 8.881 4.711 2.545 1.00 0.00 N ATOM 503 C2 DG A 16 7.814 4.173 3.236 1.00 0.00 C ATOM 504 N2 DG A 16 6.859 5.026 3.607 1.00 0.00 N ATOM 505 N3 DG A 16 7.710 2.874 3.539 1.00 0.00 N ATOM 506 C4 DG A 16 8.769 2.158 3.096 1.00 0.00 C ATOM 0 H5' DG A 16 10.831 -1.533 6.126 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.655 -3.076 5.313 1.00 0.00 H new ATOM 0 H4' DG A 16 8.523 -2.317 6.174 1.00 0.00 H new ATOM 0 H3' DG A 16 8.836 -3.262 3.596 1.00 0.00 H new ATOM 0 H2' DG A 16 8.350 -1.433 2.227 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.721 -1.505 2.870 1.00 0.00 H new ATOM 0 H1' DG A 16 7.054 0.376 4.013 1.00 0.00 H new ATOM 0 H8 DG A 16 10.565 -0.459 2.620 1.00 0.00 H new ATOM 0 H1 DG A 16 8.864 5.714 2.361 1.00 0.00 H new ATOM 0 H21 DG A 16 6.045 4.688 4.121 1.00 0.00 H new ATOM 0 H22 DG A 16 6.942 6.016 3.377 1.00 0.00 H new ATOM 518 P DG A 17 7.058 -4.807 4.843 1.00 0.00 P ATOM 519 OP1 DG A 17 5.767 -5.199 5.447 1.00 0.00 O ATOM 520 OP2 DG A 17 8.329 -5.135 5.532 1.00 0.00 O ATOM 521 O5' DG A 17 7.114 -5.413 3.350 1.00 0.00 O ATOM 522 C5' DG A 17 7.777 -6.653 3.098 1.00 0.00 C ATOM 523 C4' DG A 17 8.245 -6.758 1.646 1.00 0.00 C ATOM 524 O4' DG A 17 7.214 -7.353 0.827 1.00 0.00 O ATOM 525 C3' DG A 17 8.623 -5.424 1.008 1.00 0.00 C ATOM 526 O3' DG A 17 10.052 -5.295 1.001 1.00 0.00 O ATOM 527 C2' DG A 17 8.106 -5.494 -0.431 1.00 0.00 C ATOM 528 C1' DG A 17 7.316 -6.806 -0.487 1.00 0.00 C ATOM 529 N9 DG A 17 5.952 -6.642 -1.009 1.00 0.00 N ATOM 530 C8 DG A 17 5.554 -6.476 -2.300 1.00 0.00 C ATOM 531 N7 DG A 17 4.275 -6.349 -2.474 1.00 0.00 N ATOM 532 C5 DG A 17 3.768 -6.437 -1.178 1.00 0.00 C ATOM 533 C6 DG A 17 2.425 -6.368 -0.719 1.00 0.00 C ATOM 534 O6 DG A 17 1.400 -6.213 -1.381 1.00 0.00 O ATOM 535 N1 DG A 17 2.349 -6.499 0.661 1.00 0.00 N ATOM 536 C2 DG A 17 3.430 -6.676 1.499 1.00 0.00 C ATOM 537 N2 DG A 17 3.156 -6.775 2.799 1.00 0.00 N ATOM 538 N3 DG A 17 4.696 -6.744 1.071 1.00 0.00 N ATOM 539 C4 DG A 17 4.789 -6.616 -0.273 1.00 0.00 C ATOM 0 H5' DG A 17 7.103 -7.479 3.324 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.634 -6.750 3.765 1.00 0.00 H new ATOM 0 H4' DG A 17 9.142 -7.375 1.687 1.00 0.00 H new ATOM 0 H3' DG A 17 8.203 -4.575 1.547 1.00 0.00 H new ATOM 0 H2' DG A 17 7.474 -4.639 -0.668 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.926 -5.493 -1.149 1.00 0.00 H new ATOM 0 H1' DG A 17 7.861 -7.464 -1.165 1.00 0.00 H new ATOM 0 H8 DG A 17 6.254 -6.452 -3.122 1.00 0.00 H new ATOM 0 H1 DG A 17 1.423 -6.461 1.088 1.00 0.00 H new ATOM 0 H21 DG A 17 3.912 -6.907 3.471 1.00 0.00 H new ATOM 0 H22 DG A 17 2.190 -6.719 3.122 1.00 0.00 H new ATOM 551 P DG A 18 10.748 -3.904 1.415 1.00 0.00 P ATOM 552 OP1 DG A 18 12.214 -4.058 1.269 1.00 0.00 O ATOM 553 OP2 DG A 18 10.177 -3.476 2.713 1.00 0.00 O ATOM 554 O5' DG A 18 10.226 -2.904 0.264 1.00 0.00 O ATOM 555 C5' DG A 18 10.675 -3.068 -1.086 1.00 0.00 C ATOM 556 C4' DG A 18 9.730 -2.413 -2.090 1.00 0.00 C ATOM 557 O4' DG A 18 8.449 -3.016 -2.006 1.00 0.00 O ATOM 558 C3' DG A 18 9.516 -0.935 -1.865 1.00 0.00 C ATOM 559 O3' DG A 18 10.518 -0.191 -2.560 1.00 0.00 O ATOM 560 C2' DG A 18 8.152 -0.688 -2.498 1.00 0.00 C ATOM 561 C1' DG A 18 7.487 -2.066 -2.497 1.00 0.00 C ATOM 562 N9 DG A 18 6.286 -2.138 -1.643 1.00 0.00 N ATOM 563 C8 DG A 18 6.185 -2.424 -0.312 1.00 0.00 C ATOM 564 N7 DG A 18 4.979 -2.380 0.174 1.00 0.00 N ATOM 565 C5 DG A 18 4.202 -2.033 -0.933 1.00 0.00 C ATOM 566 C6 DG A 18 2.798 -1.832 -1.035 1.00 0.00 C ATOM 567 O6 DG A 18 1.948 -1.920 -0.152 1.00 0.00 O ATOM 568 N1 DG A 18 2.425 -1.499 -2.331 1.00 0.00 N ATOM 569 C2 DG A 18 3.292 -1.373 -3.397 1.00 0.00 C ATOM 570 N2 DG A 18 2.749 -1.051 -4.570 1.00 0.00 N ATOM 571 N3 DG A 18 4.612 -1.558 -3.302 1.00 0.00 N ATOM 572 C4 DG A 18 4.996 -1.885 -2.047 1.00 0.00 C ATOM 0 H5' DG A 18 10.763 -4.131 -1.312 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.670 -2.637 -1.191 1.00 0.00 H new ATOM 0 H4' DG A 18 10.207 -2.552 -3.060 1.00 0.00 H new ATOM 0 H3' DG A 18 9.568 -0.640 -0.817 1.00 0.00 H new ATOM 0 H2' DG A 18 7.572 0.035 -1.925 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.247 -0.292 -3.509 1.00 0.00 H new ATOM 0 H1' DG A 18 7.166 -2.278 -3.517 1.00 0.00 H new ATOM 0 H8 DG A 18 7.045 -2.669 0.294 1.00 0.00 H new ATOM 0 H1 DG A 18 1.434 -1.335 -2.508 1.00 0.00 H new ATOM 0 H21 DG A 18 3.341 -0.944 -5.394 1.00 0.00 H new ATOM 0 H22 DG A 18 1.741 -0.911 -4.644 1.00 0.00 H new ATOM 584 P DG A 19 10.790 1.344 -2.179 1.00 0.00 P ATOM 585 OP1 DG A 19 12.048 1.770 -2.834 1.00 0.00 O ATOM 586 OP2 DG A 19 10.639 1.485 -0.713 1.00 0.00 O ATOM 587 O5' DG A 19 9.560 2.105 -2.896 1.00 0.00 O ATOM 588 C5' DG A 19 9.462 2.130 -4.324 1.00 0.00 C ATOM 589 C4' DG A 19 8.127 2.701 -4.802 1.00 0.00 C ATOM 590 O4' DG A 19 7.051 1.930 -4.292 1.00 0.00 O ATOM 591 C3' DG A 19 7.866 4.126 -4.365 1.00 0.00 C ATOM 592 O3' DG A 19 8.424 5.042 -5.311 1.00 0.00 O ATOM 593 C2' DG A 19 6.346 4.217 -4.392 1.00 0.00 C ATOM 594 C1' DG A 19 5.884 2.768 -4.233 1.00 0.00 C ATOM 595 N9 DG A 19 5.192 2.510 -2.956 1.00 0.00 N ATOM 596 C8 DG A 19 5.715 2.146 -1.748 1.00 0.00 C ATOM 597 N7 DG A 19 4.849 2.020 -0.786 1.00 0.00 N ATOM 598 C5 DG A 19 3.638 2.326 -1.405 1.00 0.00 C ATOM 599 C6 DG A 19 2.323 2.361 -0.868 1.00 0.00 C ATOM 600 O6 DG A 19 1.963 2.128 0.285 1.00 0.00 O ATOM 601 N1 DG A 19 1.388 2.714 -1.833 1.00 0.00 N ATOM 602 C2 DG A 19 1.679 2.999 -3.151 1.00 0.00 C ATOM 603 N2 DG A 19 0.647 3.313 -3.931 1.00 0.00 N ATOM 604 N3 DG A 19 2.914 2.969 -3.659 1.00 0.00 N ATOM 605 C4 DG A 19 3.840 2.625 -2.733 1.00 0.00 C ATOM 0 H5' DG A 19 9.582 1.119 -4.712 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.277 2.727 -4.732 1.00 0.00 H new ATOM 0 H4' DG A 19 8.192 2.673 -5.890 1.00 0.00 H new ATOM 0 H3' DG A 19 8.302 4.368 -3.396 1.00 0.00 H new ATOM 0 H2' DG A 19 5.970 4.846 -3.585 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.989 4.649 -5.327 1.00 0.00 H new ATOM 0 H1' DG A 19 5.171 2.558 -5.030 1.00 0.00 H new ATOM 0 H8 DG A 19 6.771 1.975 -1.602 1.00 0.00 H new ATOM 0 H1 DG A 19 0.411 2.766 -1.545 1.00 0.00 H new ATOM 0 H21 DG A 19 0.800 3.534 -4.915 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.297 3.333 -3.545 1.00 0.00 H new ATOM 617 P DT A 20 8.922 6.493 -4.824 1.00 0.00 P ATOM 618 OP1 DT A 20 9.509 7.203 -5.984 1.00 0.00 O ATOM 619 OP2 DT A 20 9.716 6.312 -3.589 1.00 0.00 O ATOM 620 O5' DT A 20 7.542 7.221 -4.433 1.00 0.00 O ATOM 621 C5' DT A 20 6.564 7.486 -5.437 1.00 0.00 C ATOM 622 C4' DT A 20 5.220 7.897 -4.833 1.00 0.00 C ATOM 623 O4' DT A 20 4.831 6.956 -3.812 1.00 0.00 O ATOM 624 C3' DT A 20 5.226 9.262 -4.161 1.00 0.00 C ATOM 625 O3' DT A 20 4.989 10.327 -5.092 1.00 0.00 O ATOM 626 C2' DT A 20 4.081 9.111 -3.174 1.00 0.00 C ATOM 627 C1' DT A 20 4.311 7.689 -2.692 1.00 0.00 C ATOM 628 N1 DT A 20 5.293 7.597 -1.604 1.00 0.00 N ATOM 629 C2 DT A 20 4.832 7.775 -0.317 1.00 0.00 C ATOM 630 O2 DT A 20 3.642 7.959 -0.068 1.00 0.00 O ATOM 631 N3 DT A 20 5.787 7.731 0.679 1.00 0.00 N ATOM 632 C4 DT A 20 7.145 7.526 0.497 1.00 0.00 C ATOM 633 O4 DT A 20 7.910 7.515 1.456 1.00 0.00 O ATOM 634 C5 DT A 20 7.531 7.346 -0.886 1.00 0.00 C ATOM 635 C7 DT A 20 8.998 7.121 -1.233 1.00 0.00 C ATOM 636 C6 DT A 20 6.616 7.384 -1.872 1.00 0.00 C ATOM 0 H5' DT A 20 6.428 6.598 -6.054 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.924 8.278 -6.094 1.00 0.00 H new ATOM 0 H4' DT A 20 4.533 7.924 -5.679 1.00 0.00 H new ATOM 0 H3' DT A 20 6.180 9.525 -3.705 1.00 0.00 H new ATOM 0 H2' DT A 20 4.136 9.837 -2.363 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.107 9.235 -3.648 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.000 11.185 -4.618 1.00 0.00 H new ATOM 0 H1' DT A 20 3.368 7.299 -2.310 1.00 0.00 H new ATOM 0 H3 DT A 20 5.463 7.861 1.637 1.00 0.00 H new ATOM 0 H71 DT A 20 9.627 7.627 -0.501 1.00 0.00 H new ATOM 0 H72 DT A 20 9.215 6.053 -1.221 1.00 0.00 H new ATOM 0 H73 DT A 20 9.203 7.522 -2.226 1.00 0.00 H new ATOM 0 H6 DT A 20 6.933 7.243 -2.895 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.416 5.677 0.864 1.00 0.00 C HETATM 652 C2 BER A 101 -1.730 5.873 0.452 1.00 0.00 C HETATM 653 N1 BER A 101 -0.154 5.502 2.167 1.00 0.00 N HETATM 654 C3 BER A 101 0.606 5.660 -0.077 1.00 0.00 C HETATM 655 C4 BER A 101 -2.752 5.932 1.389 1.00 0.00 C HETATM 656 C5 BER A 101 -2.039 6.097 -0.883 1.00 0.00 C HETATM 657 C6 BER A 101 1.162 5.281 2.595 1.00 0.00 C HETATM 658 C7 BER A 101 -1.257 5.165 3.097 1.00 0.00 C HETATM 659 C8 BER A 101 1.918 5.443 0.323 1.00 0.00 C HETATM 660 C9 BER A 101 -4.033 6.225 0.935 1.00 0.00 C HETATM 661 C10 BER A 101 -2.453 6.055 2.742 1.00 0.00 C HETATM 662 C11 BER A 101 -3.283 6.391 -1.253 1.00 0.00 C HETATM 663 C12 BER A 101 2.197 5.236 1.669 1.00 0.00 C HETATM 664 C13 BER A 101 2.917 5.303 -0.633 1.00 0.00 C HETATM 665 C14 BER A 101 -4.264 6.460 -0.356 1.00 0.00 C HETATM 666 O1 BER A 101 -3.744 6.684 -2.497 1.00 0.00 O HETATM 667 C15 BER A 101 3.491 4.917 2.066 1.00 0.00 C HETATM 668 C16 BER A 101 4.212 4.985 -0.242 1.00 0.00 C HETATM 669 O2 BER A 101 -5.439 6.795 -0.954 1.00 0.00 O HETATM 670 C17 BER A 101 -5.174 6.691 -2.361 1.00 0.00 C HETATM 671 C18 BER A 101 4.490 4.804 1.107 1.00 0.00 C HETATM 672 O3 BER A 101 3.772 4.695 3.379 1.00 0.00 O HETATM 673 O4 BER A 101 5.755 4.590 1.562 1.00 0.00 O HETATM 674 C19 BER A 101 4.255 5.897 3.982 1.00 0.00 C HETATM 675 C20 BER A 101 6.651 4.485 0.452 1.00 0.00 C HETATM 0 H203 BER A 101 6.348 3.652 -0.183 1.00 0.00 H new HETATM 0 H202 BER A 101 6.625 5.409 -0.125 1.00 0.00 H new HETATM 0 H201 BER A 101 7.664 4.314 0.817 1.00 0.00 H new HETATM 0 H193 BER A 101 5.161 6.222 3.470 1.00 0.00 H new HETATM 0 H192 BER A 101 3.495 6.674 3.903 1.00 0.00 H new HETATM 0 H191 BER A 101 4.478 5.713 5.033 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.613 7.528 -2.903 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.609 5.781 -2.773 1.00 0.00 H new HETATM 0 H161 BER A 101 5.001 4.879 -0.986 1.00 0.00 H new HETATM 0 H131 BER A 101 2.685 5.443 -1.689 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.227 7.094 2.980 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.318 5.772 3.341 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.859 6.263 1.645 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.524 4.112 3.008 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.950 5.330 4.130 1.00 0.00 H new HETATM 0 H61 BER A 101 1.374 5.144 3.655 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.254 6.031 -1.636 1.00 0.00 H new HETATM 0 H31 BER A 101 0.378 5.817 -1.131 1.00 0.00 H new