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 (0 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 53:sc= 1.28 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.301 (180deg=-0.301) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl -30:sc= 0 (180deg=-0.515) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.153 -0.393 -1.309 1.00 0.00 O ATOM 2 C5' DG A 1 -8.218 -1.226 -0.867 1.00 0.00 C ATOM 3 C4' DG A 1 -8.803 -0.807 0.493 1.00 0.00 C ATOM 4 O4' DG A 1 -7.852 -1.042 1.521 1.00 0.00 O ATOM 5 C3' DG A 1 -9.213 0.680 0.553 1.00 0.00 C ATOM 6 O3' DG A 1 -10.448 0.839 1.251 1.00 0.00 O ATOM 7 C2' DG A 1 -8.045 1.296 1.309 1.00 0.00 C ATOM 8 C1' DG A 1 -7.613 0.163 2.226 1.00 0.00 C ATOM 9 N9 DG A 1 -6.192 0.249 2.623 1.00 0.00 N ATOM 10 C8 DG A 1 -5.711 0.315 3.905 1.00 0.00 C ATOM 11 N7 DG A 1 -4.410 0.223 3.996 1.00 0.00 N ATOM 12 C5 DG A 1 -3.996 0.087 2.662 1.00 0.00 C ATOM 13 C6 DG A 1 -2.690 -0.055 2.071 1.00 0.00 C ATOM 14 O6 DG A 1 -1.585 -0.100 2.615 1.00 0.00 O ATOM 15 N1 DG A 1 -2.709 -0.155 0.694 1.00 0.00 N ATOM 16 C2 DG A 1 -3.840 -0.127 -0.045 1.00 0.00 C ATOM 17 N2 DG A 1 -3.739 -0.230 -1.341 1.00 0.00 N ATOM 18 N3 DG A 1 -5.066 -0.001 0.449 1.00 0.00 N ATOM 19 C4 DG A 1 -5.084 0.104 1.815 1.00 0.00 C ATOM 0 H5' DG A 1 -7.860 -2.253 -0.798 1.00 0.00 H new ATOM 0 H5'' DG A 1 -9.012 -1.214 -1.614 1.00 0.00 H new ATOM 0 H4' DG A 1 -9.701 -1.409 0.632 1.00 0.00 H new ATOM 0 H3' DG A 1 -9.386 1.139 -0.420 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.243 1.603 0.637 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.346 2.180 1.871 1.00 0.00 H new ATOM 0 HO5' DG A 1 -6.475 -0.327 -0.604 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.181 0.216 3.155 1.00 0.00 H new ATOM 0 H8 DG A 1 -6.352 0.433 4.766 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.819 -0.256 0.207 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.578 -0.212 -1.921 1.00 0.00 H new ATOM 0 H22 DG A 1 -2.821 -0.329 -1.775 1.00 0.00 H new ATOM 32 P DG A 2 -11.286 2.207 1.223 1.00 0.00 P ATOM 33 OP1 DG A 2 -12.631 1.941 1.787 1.00 0.00 O ATOM 34 OP2 DG A 2 -11.208 2.770 -0.143 1.00 0.00 O ATOM 35 O5' DG A 2 -10.504 3.205 2.198 1.00 0.00 O ATOM 36 C5' DG A 2 -10.413 3.017 3.610 1.00 0.00 C ATOM 37 C4' DG A 2 -9.639 4.152 4.324 1.00 0.00 C ATOM 38 O4' DG A 2 -8.294 3.698 4.504 1.00 0.00 O ATOM 39 C3' DG A 2 -9.613 5.486 3.541 1.00 0.00 C ATOM 40 O3' DG A 2 -9.830 6.711 4.252 1.00 0.00 O ATOM 41 C2' DG A 2 -8.245 5.410 2.896 1.00 0.00 C ATOM 42 C1' DG A 2 -7.411 4.648 3.929 1.00 0.00 C ATOM 43 N9 DG A 2 -6.202 4.034 3.333 1.00 0.00 N ATOM 44 C8 DG A 2 -5.975 3.676 2.026 1.00 0.00 C ATOM 45 N7 DG A 2 -4.753 3.330 1.765 1.00 0.00 N ATOM 46 C5 DG A 2 -4.107 3.466 2.990 1.00 0.00 C ATOM 47 C6 DG A 2 -2.741 3.236 3.355 1.00 0.00 C ATOM 48 O6 DG A 2 -1.809 2.857 2.647 1.00 0.00 O ATOM 49 N1 DG A 2 -2.476 3.485 4.687 1.00 0.00 N ATOM 50 C2 DG A 2 -3.419 3.906 5.565 1.00 0.00 C ATOM 51 N2 DG A 2 -3.042 4.106 6.798 1.00 0.00 N ATOM 52 N3 DG A 2 -4.695 4.136 5.277 1.00 0.00 N ATOM 53 C4 DG A 2 -4.983 3.895 3.961 1.00 0.00 C ATOM 0 H5' DG A 2 -9.921 2.066 3.813 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.418 2.952 4.028 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.149 4.362 5.264 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.469 5.553 2.870 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.279 4.886 1.941 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.836 6.402 2.701 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.012 5.315 4.693 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.752 3.682 1.276 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.524 3.345 5.027 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.718 4.423 7.493 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.071 3.945 7.067 1.00 0.00 H new ATOM 65 P DT A 3 -8.905 7.316 5.431 1.00 0.00 P ATOM 66 OP1 DT A 3 -8.735 6.275 6.462 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.540 8.594 5.816 1.00 0.00 O ATOM 68 O5' DT A 3 -7.477 7.646 4.754 1.00 0.00 O ATOM 69 C5' DT A 3 -7.338 8.681 3.783 1.00 0.00 C ATOM 70 C4' DT A 3 -5.949 8.826 3.116 1.00 0.00 C ATOM 71 O4' DT A 3 -5.097 9.588 3.955 1.00 0.00 O ATOM 72 C3' DT A 3 -5.143 7.575 2.737 1.00 0.00 C ATOM 73 O3' DT A 3 -4.303 7.878 1.636 1.00 0.00 O ATOM 74 C2' DT A 3 -4.289 7.340 3.974 1.00 0.00 C ATOM 75 C1' DT A 3 -4.005 8.784 4.378 1.00 0.00 C ATOM 76 N1 DT A 3 -3.860 8.970 5.837 1.00 0.00 N ATOM 77 C2 DT A 3 -2.688 9.580 6.308 1.00 0.00 C ATOM 78 O2 DT A 3 -1.661 9.701 5.640 1.00 0.00 O ATOM 79 N3 DT A 3 -2.716 10.063 7.596 1.00 0.00 N ATOM 80 C4 DT A 3 -3.795 9.989 8.448 1.00 0.00 C ATOM 81 O4 DT A 3 -3.723 10.546 9.543 1.00 0.00 O ATOM 82 C5 DT A 3 -4.942 9.241 7.934 1.00 0.00 C ATOM 83 C7 DT A 3 -6.181 9.057 8.798 1.00 0.00 C ATOM 84 C6 DT A 3 -4.941 8.749 6.668 1.00 0.00 C ATOM 0 H5' DT A 3 -7.588 9.629 4.258 1.00 0.00 H new ATOM 0 H5'' DT A 3 -8.076 8.513 2.999 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.229 9.280 2.165 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.759 6.719 2.460 1.00 0.00 H new ATOM 0 H2' DT A 3 -4.821 6.787 4.749 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.379 6.783 3.752 1.00 0.00 H new ATOM 0 H1' DT A 3 -3.061 9.064 3.910 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.870 10.512 7.948 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.062 8.984 8.160 1.00 0.00 H new ATOM 0 H72 DT A 3 -6.082 8.145 9.386 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.288 9.911 9.467 1.00 0.00 H new ATOM 0 H6 DT A 3 -5.788 8.183 6.310 1.00 0.00 H new ATOM 97 P DT A 4 -3.693 6.717 0.728 1.00 0.00 P ATOM 98 OP1 DT A 4 -4.801 6.168 -0.081 1.00 0.00 O ATOM 99 OP2 DT A 4 -2.875 5.814 1.553 1.00 0.00 O ATOM 100 O5' DT A 4 -2.700 7.494 -0.255 1.00 0.00 O ATOM 101 C5' DT A 4 -1.943 6.757 -1.197 1.00 0.00 C ATOM 102 C4' DT A 4 -1.683 7.487 -2.511 1.00 0.00 C ATOM 103 O4' DT A 4 -2.943 8.017 -2.913 1.00 0.00 O ATOM 104 C3' DT A 4 -0.676 8.631 -2.385 1.00 0.00 C ATOM 105 O3' DT A 4 0.308 8.715 -3.422 1.00 0.00 O ATOM 106 C2' DT A 4 -1.548 9.856 -2.196 1.00 0.00 C ATOM 107 C1' DT A 4 -2.898 9.435 -2.811 1.00 0.00 C ATOM 108 N1 DT A 4 -4.083 10.058 -2.126 1.00 0.00 N ATOM 109 C2 DT A 4 -5.050 10.662 -2.946 1.00 0.00 C ATOM 110 O2 DT A 4 -5.119 10.532 -4.166 1.00 0.00 O ATOM 111 N3 DT A 4 -5.961 11.498 -2.341 1.00 0.00 N ATOM 112 C4 DT A 4 -5.964 11.866 -1.020 1.00 0.00 C ATOM 113 O4 DT A 4 -6.799 12.686 -0.643 1.00 0.00 O ATOM 114 C5 DT A 4 -4.949 11.208 -0.206 1.00 0.00 C ATOM 115 C7 DT A 4 -4.821 11.557 1.266 1.00 0.00 C ATOM 116 C6 DT A 4 -4.095 10.306 -0.760 1.00 0.00 C ATOM 0 H5' DT A 4 -2.463 5.824 -1.412 1.00 0.00 H new ATOM 0 H5'' DT A 4 -0.986 6.492 -0.748 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.252 6.790 -3.230 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.000 8.484 -1.542 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.651 10.117 -1.143 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.131 10.727 -2.701 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.970 9.835 -3.822 1.00 0.00 H new ATOM 0 H3 DT A 4 -6.702 11.879 -2.929 1.00 0.00 H new ATOM 0 H71 DT A 4 -4.455 10.690 1.815 1.00 0.00 H new ATOM 0 H72 DT A 4 -4.121 12.384 1.384 1.00 0.00 H new ATOM 0 H73 DT A 4 -5.796 11.849 1.657 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.409 9.769 -0.121 1.00 0.00 H new ATOM 129 P DG A 5 0.078 9.049 -4.988 1.00 0.00 P ATOM 130 OP1 DG A 5 1.370 9.634 -5.415 1.00 0.00 O ATOM 131 OP2 DG A 5 -1.114 9.891 -5.184 1.00 0.00 O ATOM 132 O5' DG A 5 -0.113 7.665 -5.769 1.00 0.00 O ATOM 133 C5' DG A 5 -1.384 7.074 -6.046 1.00 0.00 C ATOM 134 C4' DG A 5 -1.175 5.675 -6.655 1.00 0.00 C ATOM 135 O4' DG A 5 -0.241 4.974 -5.837 1.00 0.00 O ATOM 136 C3' DG A 5 -2.431 4.788 -6.771 1.00 0.00 C ATOM 137 O3' DG A 5 -2.364 4.100 -8.023 1.00 0.00 O ATOM 138 C2' DG A 5 -2.290 3.971 -5.488 1.00 0.00 C ATOM 139 C1' DG A 5 -0.787 3.771 -5.331 1.00 0.00 C ATOM 140 N9 DG A 5 -0.270 3.587 -3.940 1.00 0.00 N ATOM 141 C8 DG A 5 1.052 3.715 -3.594 1.00 0.00 C ATOM 142 N7 DG A 5 1.295 3.780 -2.311 1.00 0.00 N ATOM 143 C5 DG A 5 0.017 3.685 -1.750 1.00 0.00 C ATOM 144 C6 DG A 5 -0.395 3.695 -0.373 1.00 0.00 C ATOM 145 O6 DG A 5 0.327 3.788 0.623 1.00 0.00 O ATOM 146 N1 DG A 5 -1.762 3.580 -0.206 1.00 0.00 N ATOM 147 C2 DG A 5 -2.631 3.465 -1.238 1.00 0.00 C ATOM 148 N2 DG A 5 -3.893 3.362 -0.961 1.00 0.00 N ATOM 149 N3 DG A 5 -2.294 3.451 -2.524 1.00 0.00 N ATOM 150 C4 DG A 5 -0.947 3.567 -2.731 1.00 0.00 C ATOM 0 H5' DG A 5 -1.947 7.703 -6.736 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.971 7.000 -5.130 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.838 5.856 -7.676 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.420 5.245 -6.812 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.712 4.498 -4.633 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.812 3.017 -5.564 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.513 2.845 -5.837 1.00 0.00 H new ATOM 0 H8 DG A 5 1.839 3.759 -4.332 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.135 3.582 0.743 1.00 0.00 H new ATOM 0 H21 DG A 5 -4.575 3.274 -1.714 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.204 3.369 0.010 1.00 0.00 H new ATOM 162 P DG A 6 -3.137 2.742 -8.406 1.00 0.00 P ATOM 163 OP1 DG A 6 -3.524 2.777 -9.835 1.00 0.00 O ATOM 164 OP2 DG A 6 -4.189 2.456 -7.413 1.00 0.00 O ATOM 165 O5' DG A 6 -1.951 1.677 -8.250 1.00 0.00 O ATOM 166 C5' DG A 6 -0.732 1.847 -8.975 1.00 0.00 C ATOM 167 C4' DG A 6 0.374 0.918 -8.466 1.00 0.00 C ATOM 168 O4' DG A 6 0.576 1.178 -7.084 1.00 0.00 O ATOM 169 C3' DG A 6 0.044 -0.579 -8.622 1.00 0.00 C ATOM 170 O3' DG A 6 0.980 -1.407 -9.322 1.00 0.00 O ATOM 171 C2' DG A 6 -0.205 -1.052 -7.198 1.00 0.00 C ATOM 172 C1' DG A 6 0.558 -0.029 -6.352 1.00 0.00 C ATOM 173 N9 DG A 6 -0.022 0.212 -5.005 1.00 0.00 N ATOM 174 C8 DG A 6 -1.325 0.109 -4.575 1.00 0.00 C ATOM 175 N7 DG A 6 -1.475 0.176 -3.277 1.00 0.00 N ATOM 176 C5 DG A 6 -0.160 0.337 -2.810 1.00 0.00 C ATOM 177 C6 DG A 6 0.390 0.473 -1.486 1.00 0.00 C ATOM 178 O6 DG A 6 -0.186 0.483 -0.399 1.00 0.00 O ATOM 179 N1 DG A 6 1.764 0.608 -1.463 1.00 0.00 N ATOM 180 C2 DG A 6 2.533 0.616 -2.580 1.00 0.00 C ATOM 181 N2 DG A 6 3.822 0.750 -2.470 1.00 0.00 N ATOM 182 N3 DG A 6 2.073 0.496 -3.814 1.00 0.00 N ATOM 183 C4 DG A 6 0.720 0.358 -3.867 1.00 0.00 C ATOM 0 H5' DG A 6 -0.402 2.883 -8.892 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.910 1.653 -10.033 1.00 0.00 H new ATOM 0 H4' DG A 6 1.260 1.121 -9.068 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.812 -0.679 -9.289 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.268 -1.062 -6.957 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.167 -2.064 -7.039 1.00 0.00 H new ATOM 0 H1' DG A 6 1.555 -0.426 -6.164 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.156 -0.017 -5.253 1.00 0.00 H new ATOM 0 H1 DG A 6 2.225 0.707 -0.558 1.00 0.00 H new ATOM 0 H21 DG A 6 4.407 0.757 -3.305 1.00 0.00 H new ATOM 0 H22 DG A 6 4.248 0.848 -1.548 1.00 0.00 H new ATOM 195 P DT A 7 2.571 -1.497 -9.079 1.00 0.00 P ATOM 196 OP1 DT A 7 3.178 -0.149 -9.088 1.00 0.00 O ATOM 197 OP2 DT A 7 3.060 -2.445 -10.101 1.00 0.00 O ATOM 198 O5' DT A 7 2.835 -2.153 -7.641 1.00 0.00 O ATOM 199 C5' DT A 7 4.078 -1.902 -6.993 1.00 0.00 C ATOM 200 C4' DT A 7 4.318 -2.658 -5.683 1.00 0.00 C ATOM 201 O4' DT A 7 3.454 -2.207 -4.647 1.00 0.00 O ATOM 202 C3' DT A 7 4.202 -4.194 -5.772 1.00 0.00 C ATOM 203 O3' DT A 7 5.354 -4.984 -5.434 1.00 0.00 O ATOM 204 C2' DT A 7 2.993 -4.498 -4.897 1.00 0.00 C ATOM 205 C1' DT A 7 3.023 -3.330 -3.905 1.00 0.00 C ATOM 206 N1 DT A 7 1.750 -3.080 -3.173 1.00 0.00 N ATOM 207 C2 DT A 7 1.845 -2.783 -1.808 1.00 0.00 C ATOM 208 O2 DT A 7 2.896 -2.573 -1.214 1.00 0.00 O ATOM 209 N3 DT A 7 0.668 -2.684 -1.109 1.00 0.00 N ATOM 210 C4 DT A 7 -0.595 -2.822 -1.627 1.00 0.00 C ATOM 211 O4 DT A 7 -1.550 -2.670 -0.868 1.00 0.00 O ATOM 212 C5 DT A 7 -0.638 -3.087 -3.065 1.00 0.00 C ATOM 213 C7 DT A 7 -1.975 -3.203 -3.778 1.00 0.00 C ATOM 214 C6 DT A 7 0.515 -3.178 -3.785 1.00 0.00 C ATOM 0 H5' DT A 7 4.150 -0.833 -6.791 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.882 -2.151 -7.685 1.00 0.00 H new ATOM 0 H4' DT A 7 5.359 -2.429 -5.454 1.00 0.00 H new ATOM 0 H3' DT A 7 4.102 -4.490 -6.816 1.00 0.00 H new ATOM 0 H2' DT A 7 2.068 -4.522 -5.472 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.082 -5.462 -4.396 1.00 0.00 H new ATOM 0 H1' DT A 7 3.705 -3.570 -3.089 1.00 0.00 H new ATOM 0 H3 DT A 7 0.739 -2.489 -0.110 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.866 -2.873 -4.811 1.00 0.00 H new ATOM 0 H72 DT A 7 -2.307 -4.241 -3.762 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.712 -2.579 -3.273 1.00 0.00 H new ATOM 0 H6 DT A 7 0.463 -3.329 -4.853 1.00 0.00 H new ATOM 227 P DG A 8 6.211 -4.910 -4.062 1.00 0.00 P ATOM 228 OP1 DG A 8 6.626 -3.518 -3.820 1.00 0.00 O ATOM 229 OP2 DG A 8 7.269 -5.937 -4.185 1.00 0.00 O ATOM 230 O5' DG A 8 5.246 -5.370 -2.870 1.00 0.00 O ATOM 231 C5' DG A 8 5.584 -5.095 -1.509 1.00 0.00 C ATOM 232 C4' DG A 8 5.032 -6.133 -0.511 1.00 0.00 C ATOM 233 O4' DG A 8 3.640 -5.906 -0.288 1.00 0.00 O ATOM 234 C3' DG A 8 5.234 -7.566 -1.030 1.00 0.00 C ATOM 235 O3' DG A 8 5.961 -8.454 -0.168 1.00 0.00 O ATOM 236 C2' DG A 8 3.822 -7.945 -1.446 1.00 0.00 C ATOM 237 C1' DG A 8 2.901 -7.087 -0.555 1.00 0.00 C ATOM 238 N9 DG A 8 1.580 -6.778 -1.197 1.00 0.00 N ATOM 239 C8 DG A 8 1.196 -7.050 -2.493 1.00 0.00 C ATOM 240 N7 DG A 8 -0.080 -6.938 -2.734 1.00 0.00 N ATOM 241 C5 DG A 8 -0.589 -6.488 -1.511 1.00 0.00 C ATOM 242 C6 DG A 8 -1.930 -6.114 -1.151 1.00 0.00 C ATOM 243 O6 DG A 8 -2.959 -6.210 -1.821 1.00 0.00 O ATOM 244 N1 DG A 8 -2.028 -5.553 0.103 1.00 0.00 N ATOM 245 C2 DG A 8 -0.972 -5.420 0.945 1.00 0.00 C ATOM 246 N2 DG A 8 -1.192 -4.754 2.047 1.00 0.00 N ATOM 247 N3 DG A 8 0.279 -5.807 0.686 1.00 0.00 N ATOM 248 C4 DG A 8 0.419 -6.338 -0.576 1.00 0.00 C ATOM 0 H5' DG A 8 5.204 -4.109 -1.242 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.669 -5.055 -1.414 1.00 0.00 H new ATOM 0 H4' DG A 8 5.580 -6.020 0.424 1.00 0.00 H new ATOM 0 H3' DG A 8 5.930 -7.647 -1.865 1.00 0.00 H new ATOM 0 H2' DG A 8 3.653 -7.739 -2.503 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.638 -9.009 -1.295 1.00 0.00 H new ATOM 0 H1' DG A 8 2.636 -7.624 0.356 1.00 0.00 H new ATOM 0 H8 DG A 8 1.904 -7.336 -3.256 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.941 -5.221 0.415 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.438 -4.620 2.721 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.118 -4.368 2.234 1.00 0.00 H new ATOM 260 P DT A 9 5.422 -9.242 1.128 1.00 0.00 P ATOM 261 OP1 DT A 9 6.573 -9.986 1.683 1.00 0.00 O ATOM 262 OP2 DT A 9 4.218 -10.018 0.775 1.00 0.00 O ATOM 263 O5' DT A 9 4.963 -8.152 2.198 1.00 0.00 O ATOM 264 C5' DT A 9 5.887 -7.383 2.951 1.00 0.00 C ATOM 265 C4' DT A 9 5.210 -6.532 4.047 1.00 0.00 C ATOM 266 O4' DT A 9 3.845 -6.339 3.710 1.00 0.00 O ATOM 267 C3' DT A 9 5.200 -7.196 5.436 1.00 0.00 C ATOM 268 O3' DT A 9 5.305 -6.241 6.485 1.00 0.00 O ATOM 269 C2' DT A 9 3.804 -7.801 5.508 1.00 0.00 C ATOM 270 C1' DT A 9 2.988 -6.765 4.749 1.00 0.00 C ATOM 271 N1 DT A 9 1.725 -7.311 4.176 1.00 0.00 N ATOM 272 C2 DT A 9 0.500 -6.896 4.715 1.00 0.00 C ATOM 273 O2 DT A 9 0.385 -6.133 5.670 1.00 0.00 O ATOM 274 N3 DT A 9 -0.641 -7.392 4.128 1.00 0.00 N ATOM 275 C4 DT A 9 -0.686 -8.252 3.053 1.00 0.00 C ATOM 276 O4 DT A 9 -1.788 -8.593 2.625 1.00 0.00 O ATOM 277 C5 DT A 9 0.623 -8.666 2.549 1.00 0.00 C ATOM 278 C7 DT A 9 0.738 -9.620 1.376 1.00 0.00 C ATOM 279 C6 DT A 9 1.764 -8.196 3.118 1.00 0.00 C ATOM 0 H5' DT A 9 6.439 -6.727 2.278 1.00 0.00 H new ATOM 0 H5'' DT A 9 6.615 -8.050 3.414 1.00 0.00 H new ATOM 0 H4' DT A 9 5.788 -5.609 4.096 1.00 0.00 H new ATOM 0 H3' DT A 9 6.028 -7.895 5.552 1.00 0.00 H new ATOM 0 H2' DT A 9 3.758 -8.784 5.039 1.00 0.00 H new ATOM 0 H2'' DT A 9 3.461 -7.921 6.536 1.00 0.00 H new ATOM 0 H1' DT A 9 2.670 -5.964 5.416 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.533 -7.097 4.524 1.00 0.00 H new ATOM 0 H71 DT A 9 -0.123 -10.288 1.365 1.00 0.00 H new ATOM 0 H72 DT A 9 0.768 -9.052 0.446 1.00 0.00 H new ATOM 0 H73 DT A 9 1.652 -10.207 1.472 1.00 0.00 H new ATOM 0 H6 DT A 9 2.720 -8.521 2.735 1.00 0.00 H new ATOM 292 P DG A 10 6.705 -5.686 7.025 1.00 0.00 P ATOM 293 OP1 DG A 10 7.595 -6.848 7.247 1.00 0.00 O ATOM 294 OP2 DG A 10 6.389 -4.809 8.170 1.00 0.00 O ATOM 295 O5' DG A 10 7.305 -4.773 5.850 1.00 0.00 O ATOM 296 C5' DG A 10 8.291 -5.250 4.941 1.00 0.00 C ATOM 297 C4' DG A 10 8.692 -4.193 3.896 1.00 0.00 C ATOM 298 O4' DG A 10 7.646 -3.914 2.954 1.00 0.00 O ATOM 299 C3' DG A 10 9.124 -2.858 4.539 1.00 0.00 C ATOM 300 O3' DG A 10 10.291 -2.336 3.896 1.00 0.00 O ATOM 301 C2' DG A 10 7.910 -1.988 4.251 1.00 0.00 C ATOM 302 C1' DG A 10 7.588 -2.502 2.855 1.00 0.00 C ATOM 303 N9 DG A 10 6.440 -1.811 2.219 1.00 0.00 N ATOM 304 C8 DG A 10 6.485 -0.482 1.893 1.00 0.00 C ATOM 305 N7 DG A 10 5.341 0.058 1.593 1.00 0.00 N ATOM 306 C5 DG A 10 4.447 -1.005 1.731 1.00 0.00 C ATOM 307 C6 DG A 10 3.025 -1.047 1.536 1.00 0.00 C ATOM 308 O6 DG A 10 2.260 -0.140 1.203 1.00 0.00 O ATOM 309 N1 DG A 10 2.477 -2.288 1.765 1.00 0.00 N ATOM 310 C2 DG A 10 3.201 -3.362 2.135 1.00 0.00 C ATOM 311 N2 DG A 10 2.513 -4.452 2.303 1.00 0.00 N ATOM 312 N3 DG A 10 4.517 -3.379 2.332 1.00 0.00 N ATOM 313 C4 DG A 10 5.103 -2.160 2.115 1.00 0.00 C ATOM 0 H5' DG A 10 7.911 -6.135 4.430 1.00 0.00 H new ATOM 0 H5'' DG A 10 9.175 -5.558 5.499 1.00 0.00 H new ATOM 0 H4' DG A 10 9.538 -4.638 3.372 1.00 0.00 H new ATOM 0 H3' DG A 10 9.387 -2.930 5.594 1.00 0.00 H new ATOM 0 H2' DG A 10 7.097 -2.149 4.959 1.00 0.00 H new ATOM 0 H2'' DG A 10 8.140 -0.923 4.267 1.00 0.00 H new ATOM 0 H1' DG A 10 8.309 -2.235 2.083 1.00 0.00 H new ATOM 0 H8 DG A 10 7.408 0.079 1.886 1.00 0.00 H new ATOM 0 H1 DG A 10 1.470 -2.401 1.649 1.00 0.00 H new ATOM 0 H21 DG A 10 2.982 -5.313 2.583 1.00 0.00 H new ATOM 0 H22 DG A 10 1.504 -4.446 2.154 1.00 0.00 H new ATOM 325 P DG A 11 11.094 -1.065 4.483 1.00 0.00 P ATOM 326 OP1 DG A 11 12.468 -1.157 3.940 1.00 0.00 O ATOM 327 OP2 DG A 11 10.908 -1.054 5.946 1.00 0.00 O ATOM 328 O5' DG A 11 10.392 0.247 3.856 1.00 0.00 O ATOM 329 C5' DG A 11 10.894 0.863 2.670 1.00 0.00 C ATOM 330 C4' DG A 11 10.158 2.153 2.256 1.00 0.00 C ATOM 331 O4' DG A 11 8.786 1.911 1.976 1.00 0.00 O ATOM 332 C3' DG A 11 10.158 3.264 3.309 1.00 0.00 C ATOM 333 O3' DG A 11 11.302 4.108 3.265 1.00 0.00 O ATOM 334 C2' DG A 11 8.939 4.087 2.894 1.00 0.00 C ATOM 335 C1' DG A 11 8.059 3.127 2.086 1.00 0.00 C ATOM 336 N9 DG A 11 6.750 2.894 2.751 1.00 0.00 N ATOM 337 C8 DG A 11 6.527 2.443 4.028 1.00 0.00 C ATOM 338 N7 DG A 11 5.272 2.427 4.383 1.00 0.00 N ATOM 339 C5 DG A 11 4.600 2.905 3.250 1.00 0.00 C ATOM 340 C6 DG A 11 3.199 3.127 2.994 1.00 0.00 C ATOM 341 O6 DG A 11 2.222 2.945 3.722 1.00 0.00 O ATOM 342 N1 DG A 11 2.937 3.617 1.730 1.00 0.00 N ATOM 343 C2 DG A 11 3.891 3.870 0.810 1.00 0.00 C ATOM 344 N2 DG A 11 3.472 4.331 -0.338 1.00 0.00 N ATOM 345 N3 DG A 11 5.200 3.683 0.994 1.00 0.00 N ATOM 346 C4 DG A 11 5.499 3.194 2.243 1.00 0.00 C ATOM 0 H5' DG A 11 10.833 0.147 1.851 1.00 0.00 H new ATOM 0 H5'' DG A 11 11.950 1.093 2.815 1.00 0.00 H new ATOM 0 H4' DG A 11 10.721 2.477 1.381 1.00 0.00 H new ATOM 0 H3' DG A 11 10.151 2.850 4.317 1.00 0.00 H new ATOM 0 H2' DG A 11 8.407 4.469 3.765 1.00 0.00 H new ATOM 0 H2'' DG A 11 9.232 4.950 2.296 1.00 0.00 H new ATOM 0 HO3' DG A 11 11.231 4.792 3.963 1.00 0.00 H new ATOM 0 H1' DG A 11 7.835 3.549 1.106 1.00 0.00 H new ATOM 0 H8 DG A 11 7.325 2.128 4.684 1.00 0.00 H new ATOM 0 H1 DG A 11 1.966 3.798 1.477 1.00 0.00 H new ATOM 0 H21 DG A 11 4.142 4.543 -1.077 1.00 0.00 H new ATOM 0 H22 DG A 11 2.475 4.479 -0.495 1.00 0.00 H new TER 359 DG A 11 HETATM 360 K K A 101 0.390 1.544 2.185 1.00 0.00 K