USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 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 -143:sc= 0.959 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.0294 (180deg=-1.56) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0539 (180deg=-0.0539) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.271 2.624 -11.770 1.00 0.44 O ATOM 2 C5' DG A 1 9.296 2.490 -13.186 1.00 0.35 C ATOM 3 C4' DG A 1 9.453 1.024 -13.639 1.00 0.25 C ATOM 4 O4' DG A 1 10.727 0.496 -13.183 1.00 0.25 O ATOM 5 C3' DG A 1 8.367 0.070 -13.103 1.00 0.20 C ATOM 6 O3' DG A 1 8.047 -0.951 -14.060 1.00 0.15 O ATOM 7 C2' DG A 1 9.177 -0.587 -11.982 1.00 0.18 C ATOM 8 C1' DG A 1 10.533 -0.825 -12.619 1.00 0.20 C ATOM 9 N9 DG A 1 11.609 -1.210 -11.663 1.00 0.23 N ATOM 10 C8 DG A 1 12.964 -1.193 -11.845 1.00 0.32 C ATOM 11 N7 DG A 1 13.645 -1.560 -10.793 1.00 0.31 N ATOM 12 C5 DG A 1 12.680 -1.843 -9.840 1.00 0.22 C ATOM 13 C6 DG A 1 12.804 -2.286 -8.511 1.00 0.21 C ATOM 14 O6 DG A 1 13.824 -2.539 -7.890 1.00 0.25 O ATOM 15 N1 DG A 1 11.577 -2.440 -7.912 1.00 0.19 N ATOM 16 C2 DG A 1 10.370 -2.207 -8.523 1.00 0.18 C ATOM 17 N2 DG A 1 9.264 -2.385 -7.837 1.00 0.25 N ATOM 18 N3 DG A 1 10.239 -1.796 -9.773 1.00 0.15 N ATOM 19 C4 DG A 1 11.435 -1.639 -10.370 1.00 0.18 C ATOM 0 H5' DG A 1 10.118 3.081 -13.589 1.00 0.35 H new ATOM 0 H5'' DG A 1 8.375 2.899 -13.603 1.00 0.35 H new ATOM 0 H4' DG A 1 9.372 1.060 -14.725 1.00 0.25 H new ATOM 0 H3' DG A 1 7.427 0.555 -12.840 1.00 0.20 H new ATOM 0 H2' DG A 1 9.252 0.060 -11.108 1.00 0.18 H new ATOM 0 H2'' DG A 1 8.720 -1.519 -11.650 1.00 0.18 H new ATOM 0 HO5' DG A 1 8.637 3.328 -11.519 1.00 0.44 H new ATOM 0 H1' DG A 1 10.572 -1.663 -13.315 1.00 0.20 H new ATOM 0 H8 DG A 1 13.429 -0.902 -12.775 1.00 0.32 H new ATOM 0 H1 DG A 1 11.562 -2.751 -6.941 1.00 0.19 H new ATOM 0 H21 DG A 1 8.359 -2.216 -8.276 1.00 0.25 H new ATOM 0 H22 DG A 1 9.310 -2.692 -6.865 1.00 0.25 H new ATOM 32 P DG A 2 7.151 -2.235 -13.682 1.00 0.15 P ATOM 33 OP1 DG A 2 6.354 -2.602 -14.874 1.00 0.23 O ATOM 34 OP2 DG A 2 6.455 -1.945 -12.418 1.00 0.23 O ATOM 35 O5' DG A 2 8.262 -3.378 -13.403 1.00 0.20 O ATOM 36 C5' DG A 2 9.126 -3.915 -14.416 1.00 0.23 C ATOM 37 C4' DG A 2 9.963 -5.112 -13.916 1.00 0.21 C ATOM 38 O4' DG A 2 10.655 -4.771 -12.664 1.00 0.20 O ATOM 39 C3' DG A 2 9.005 -6.295 -13.586 1.00 0.21 C ATOM 40 O3' DG A 2 9.513 -7.630 -13.855 1.00 0.28 O ATOM 41 C2' DG A 2 8.829 -5.976 -12.138 1.00 0.20 C ATOM 42 C1' DG A 2 10.249 -5.742 -11.676 1.00 0.19 C ATOM 43 N9 DG A 2 10.530 -5.574 -10.239 1.00 0.18 N ATOM 44 C8 DG A 2 9.655 -5.360 -9.203 1.00 0.27 C ATOM 45 N7 DG A 2 10.224 -5.296 -8.044 1.00 0.26 N ATOM 46 C5 DG A 2 11.566 -5.462 -8.317 1.00 0.17 C ATOM 47 C6 DG A 2 12.642 -5.467 -7.423 1.00 0.17 C ATOM 48 O6 DG A 2 12.561 -5.320 -6.215 1.00 0.20 O ATOM 49 N1 DG A 2 13.841 -5.663 -8.067 1.00 0.18 N ATOM 50 C2 DG A 2 13.990 -5.834 -9.416 1.00 0.21 C ATOM 51 N2 DG A 2 15.231 -6.013 -9.857 1.00 0.29 N ATOM 52 N3 DG A 2 12.969 -5.826 -10.284 1.00 0.19 N ATOM 53 C4 DG A 2 11.780 -5.634 -9.656 1.00 0.14 C ATOM 0 H5' DG A 2 9.796 -3.131 -14.768 1.00 0.23 H new ATOM 0 H5'' DG A 2 8.526 -4.229 -15.270 1.00 0.23 H new ATOM 0 H4' DG A 2 10.683 -5.372 -14.692 1.00 0.21 H new ATOM 0 H3' DG A 2 8.104 -6.353 -14.196 1.00 0.21 H new ATOM 0 H2' DG A 2 8.204 -5.095 -11.990 1.00 0.20 H new ATOM 0 H2'' DG A 2 8.357 -6.796 -11.597 1.00 0.20 H new ATOM 0 H1' DG A 2 10.897 -6.618 -11.655 1.00 0.19 H new ATOM 0 H8 DG A 2 8.589 -5.255 -9.343 1.00 0.27 H new ATOM 0 H1 DG A 2 14.685 -5.682 -7.494 1.00 0.18 H new ATOM 0 H21 DG A 2 15.404 -6.146 -10.853 1.00 0.29 H new ATOM 0 H22 DG A 2 16.010 -6.018 -9.199 1.00 0.29 H new ATOM 65 P DT A 3 9.767 -8.926 -12.881 1.00 0.23 P ATOM 66 OP1 DT A 3 10.881 -8.631 -11.966 1.00 0.28 O ATOM 67 OP2 DT A 3 9.864 -10.116 -13.745 1.00 0.29 O ATOM 68 O5' DT A 3 8.434 -9.092 -12.004 1.00 0.30 O ATOM 69 C5' DT A 3 7.471 -10.153 -12.131 1.00 0.35 C ATOM 70 C4' DT A 3 6.065 -9.641 -12.441 1.00 0.36 C ATOM 71 O4' DT A 3 6.117 -8.805 -13.638 1.00 0.38 O ATOM 72 C3' DT A 3 5.371 -8.800 -11.334 1.00 0.28 C ATOM 73 O3' DT A 3 6.291 -7.987 -10.582 1.00 0.23 O ATOM 74 C2' DT A 3 4.617 -7.887 -12.326 1.00 0.32 C ATOM 75 C1' DT A 3 5.721 -7.462 -13.316 1.00 0.33 C ATOM 76 N1 DT A 3 5.388 -6.603 -14.459 1.00 0.44 N ATOM 77 C2 DT A 3 5.297 -5.251 -14.220 1.00 0.49 C ATOM 78 O2 DT A 3 5.473 -4.777 -13.133 1.00 0.57 O ATOM 79 N3 DT A 3 4.997 -4.434 -15.269 1.00 0.59 N ATOM 80 C4 DT A 3 4.775 -4.852 -16.544 1.00 0.68 C ATOM 81 O4 DT A 3 4.493 -4.024 -17.398 1.00 0.79 O ATOM 82 C5 DT A 3 4.897 -6.286 -16.716 1.00 0.70 C ATOM 83 C7 DT A 3 4.702 -6.916 -18.099 1.00 0.96 C ATOM 84 C6 DT A 3 5.191 -7.104 -15.690 1.00 0.57 C ATOM 0 H5' DT A 3 7.447 -10.729 -11.206 1.00 0.35 H new ATOM 0 H5'' DT A 3 7.788 -10.833 -12.922 1.00 0.35 H new ATOM 0 H4' DT A 3 5.472 -10.548 -12.553 1.00 0.36 H new ATOM 0 H3' DT A 3 4.826 -9.361 -10.575 1.00 0.28 H new ATOM 0 H2' DT A 3 3.808 -8.418 -12.828 1.00 0.32 H new ATOM 0 H2'' DT A 3 4.172 -7.027 -11.825 1.00 0.32 H new ATOM 0 H1' DT A 3 6.461 -6.769 -12.916 1.00 0.33 H new ATOM 0 H3 DT A 3 4.934 -3.433 -15.084 1.00 0.59 H new ATOM 0 H71 DT A 3 5.310 -7.817 -18.177 1.00 0.96 H new ATOM 0 H72 DT A 3 3.652 -7.174 -18.237 1.00 0.96 H new ATOM 0 H73 DT A 3 5.005 -6.206 -18.868 1.00 0.96 H new ATOM 0 H6 DT A 3 5.269 -8.168 -15.856 1.00 0.57 H new ATOM 97 P DT A 4 5.869 -7.103 -9.314 1.00 0.18 P ATOM 98 OP1 DT A 4 4.495 -6.642 -9.541 1.00 0.27 O ATOM 99 OP2 DT A 4 6.926 -6.114 -9.040 1.00 0.24 O ATOM 100 O5' DT A 4 5.848 -8.118 -8.065 1.00 0.20 O ATOM 101 C5' DT A 4 4.901 -9.201 -8.006 1.00 0.21 C ATOM 102 C4' DT A 4 4.998 -9.972 -6.701 1.00 0.26 C ATOM 103 O4' DT A 4 6.339 -10.495 -6.420 1.00 0.27 O ATOM 104 C3' DT A 4 4.657 -9.127 -5.474 1.00 0.23 C ATOM 105 O3' DT A 4 4.245 -9.985 -4.396 1.00 0.35 O ATOM 106 C2' DT A 4 6.079 -8.592 -5.210 1.00 0.20 C ATOM 107 C1' DT A 4 7.020 -9.824 -5.330 1.00 0.25 C ATOM 108 N1 DT A 4 8.467 -9.571 -5.675 1.00 0.26 N ATOM 109 C2 DT A 4 9.335 -9.534 -4.597 1.00 0.30 C ATOM 110 O2 DT A 4 9.021 -9.731 -3.422 1.00 0.38 O ATOM 111 N3 DT A 4 10.636 -9.292 -4.885 1.00 0.31 N ATOM 112 C4 DT A 4 11.189 -9.086 -6.110 1.00 0.28 C ATOM 113 O4 DT A 4 12.385 -8.873 -6.170 1.00 0.31 O ATOM 114 C5 DT A 4 10.255 -9.144 -7.207 1.00 0.27 C ATOM 115 C7 DT A 4 10.768 -8.972 -8.632 1.00 0.30 C ATOM 116 C6 DT A 4 8.937 -9.380 -6.965 1.00 0.26 C ATOM 0 H5' DT A 4 5.074 -9.879 -8.841 1.00 0.21 H new ATOM 0 H5'' DT A 4 3.891 -8.806 -8.120 1.00 0.21 H new ATOM 0 H4' DT A 4 4.280 -10.777 -6.856 1.00 0.26 H new ATOM 0 H3' DT A 4 3.865 -8.386 -5.583 1.00 0.23 H new ATOM 0 H2' DT A 4 6.348 -7.822 -5.933 1.00 0.20 H new ATOM 0 H2'' DT A 4 6.150 -8.140 -4.221 1.00 0.20 H new ATOM 0 H1' DT A 4 7.142 -10.346 -4.381 1.00 0.25 H new ATOM 0 H3 DT A 4 11.275 -9.261 -4.091 1.00 0.31 H new ATOM 0 H71 DT A 4 11.646 -8.326 -8.627 1.00 0.30 H new ATOM 0 H72 DT A 4 11.036 -9.946 -9.042 1.00 0.30 H new ATOM 0 H73 DT A 4 9.989 -8.521 -9.247 1.00 0.30 H new ATOM 0 H6 DT A 4 8.245 -9.419 -7.793 1.00 0.26 H new ATOM 129 P DG A 5 3.181 -9.613 -3.260 1.00 0.38 P ATOM 130 OP1 DG A 5 2.829 -10.850 -2.554 1.00 0.57 O ATOM 131 OP2 DG A 5 2.117 -8.784 -3.845 1.00 0.51 O ATOM 132 O5' DG A 5 3.961 -8.702 -2.194 1.00 0.30 O ATOM 133 C5' DG A 5 3.314 -7.847 -1.232 1.00 0.28 C ATOM 134 C4' DG A 5 3.804 -6.418 -1.349 1.00 0.21 C ATOM 135 O4' DG A 5 5.242 -6.350 -1.084 1.00 0.22 O ATOM 136 C3' DG A 5 3.534 -5.809 -2.736 1.00 0.21 C ATOM 137 O3' DG A 5 3.250 -4.412 -2.619 1.00 0.18 O ATOM 138 C2' DG A 5 4.977 -5.973 -3.289 1.00 0.23 C ATOM 139 C1' DG A 5 5.897 -5.531 -2.080 1.00 0.18 C ATOM 140 N9 DG A 5 7.284 -5.948 -2.306 1.00 0.19 N ATOM 141 C8 DG A 5 8.175 -6.537 -1.467 1.00 0.23 C ATOM 142 N7 DG A 5 9.339 -6.787 -1.993 1.00 0.24 N ATOM 143 C5 DG A 5 9.190 -6.316 -3.298 1.00 0.19 C ATOM 144 C6 DG A 5 10.105 -6.296 -4.387 1.00 0.20 C ATOM 145 O6 DG A 5 11.292 -6.690 -4.396 1.00 0.24 O ATOM 146 N1 DG A 5 9.570 -5.742 -5.516 1.00 0.19 N ATOM 147 C2 DG A 5 8.282 -5.247 -5.614 1.00 0.19 C ATOM 148 N2 DG A 5 7.869 -4.730 -6.724 1.00 0.22 N ATOM 149 N3 DG A 5 7.429 -5.260 -4.605 1.00 0.17 N ATOM 150 C4 DG A 5 7.953 -5.808 -3.487 1.00 0.17 C ATOM 0 H5' DG A 5 3.506 -8.218 -0.225 1.00 0.28 H new ATOM 0 H5'' DG A 5 2.235 -7.877 -1.383 1.00 0.28 H new ATOM 0 H4' DG A 5 3.248 -5.842 -0.609 1.00 0.21 H new ATOM 0 H3' DG A 5 2.711 -6.241 -3.306 1.00 0.21 H new ATOM 0 H2' DG A 5 5.176 -7.002 -3.588 1.00 0.23 H new ATOM 0 H2'' DG A 5 5.142 -5.348 -4.167 1.00 0.23 H new ATOM 0 H1' DG A 5 5.980 -4.466 -1.864 1.00 0.18 H new ATOM 0 H8 DG A 5 7.936 -6.779 -0.442 1.00 0.23 H new ATOM 0 H1 DG A 5 10.162 -5.690 -6.345 1.00 0.19 H new ATOM 0 H21 DG A 5 6.919 -4.366 -6.794 1.00 0.22 H new ATOM 0 H22 DG A 5 8.493 -4.686 -7.530 1.00 0.22 H new ATOM 162 P DG A 6 2.867 -3.403 -3.840 1.00 0.21 P ATOM 163 OP1 DG A 6 1.624 -3.927 -4.430 1.00 0.28 O ATOM 164 OP2 DG A 6 4.065 -3.168 -4.682 1.00 0.24 O ATOM 165 O5' DG A 6 2.475 -2.055 -3.026 1.00 0.20 O ATOM 166 C5' DG A 6 3.388 -1.114 -2.408 1.00 0.27 C ATOM 167 C4' DG A 6 4.479 -1.743 -1.512 1.00 0.25 C ATOM 168 O4' DG A 6 5.416 -2.496 -2.326 1.00 0.22 O ATOM 169 C3' DG A 6 5.320 -0.612 -0.802 1.00 0.27 C ATOM 170 O3' DG A 6 5.764 -0.998 0.508 1.00 0.32 O ATOM 171 C2' DG A 6 6.547 -0.606 -1.682 1.00 0.28 C ATOM 172 C1' DG A 6 6.754 -2.100 -2.040 1.00 0.21 C ATOM 173 N9 DG A 6 7.732 -2.298 -3.115 1.00 0.18 N ATOM 174 C8 DG A 6 7.549 -2.334 -4.467 1.00 0.20 C ATOM 175 N7 DG A 6 8.653 -2.516 -5.112 1.00 0.21 N ATOM 176 C5 DG A 6 9.630 -2.606 -4.152 1.00 0.17 C ATOM 177 C6 DG A 6 11.030 -2.801 -4.306 1.00 0.17 C ATOM 178 O6 DG A 6 11.673 -2.928 -5.351 1.00 0.20 O ATOM 179 N1 DG A 6 11.660 -2.827 -3.084 1.00 0.14 N ATOM 180 C2 DG A 6 11.047 -2.686 -1.872 1.00 0.14 C ATOM 181 N2 DG A 6 11.792 -2.702 -0.798 1.00 0.17 N ATOM 182 N3 DG A 6 9.735 -2.504 -1.748 1.00 0.15 N ATOM 183 C4 DG A 6 9.086 -2.471 -2.919 1.00 0.15 C ATOM 0 H5' DG A 6 2.809 -0.412 -1.808 1.00 0.27 H new ATOM 0 H5'' DG A 6 3.875 -0.536 -3.194 1.00 0.27 H new ATOM 0 H4' DG A 6 3.980 -2.382 -0.783 1.00 0.25 H new ATOM 0 H3' DG A 6 4.762 0.318 -0.688 1.00 0.27 H new ATOM 0 H2' DG A 6 6.396 0.002 -2.574 1.00 0.28 H new ATOM 0 H2'' DG A 6 7.412 -0.196 -1.160 1.00 0.28 H new ATOM 0 H1' DG A 6 7.205 -2.712 -1.259 1.00 0.21 H new ATOM 0 H8 DG A 6 6.587 -2.223 -4.945 1.00 0.20 H new ATOM 0 H1 DG A 6 12.671 -2.963 -3.083 1.00 0.14 H new ATOM 0 H21 DG A 6 11.363 -2.599 0.122 1.00 0.17 H new ATOM 0 H22 DG A 6 12.802 -2.818 -0.880 1.00 0.17 H new ATOM 195 P DT A 7 5.333 -0.195 1.795 1.00 0.25 P ATOM 196 OP1 DT A 7 4.361 -0.996 2.518 1.00 0.48 O ATOM 197 OP2 DT A 7 5.025 1.189 1.427 1.00 0.37 O ATOM 198 O5' DT A 7 6.672 -0.172 2.672 1.00 0.23 O ATOM 199 C5' DT A 7 7.347 -1.343 3.159 1.00 0.20 C ATOM 200 C4' DT A 7 8.789 -1.364 2.723 1.00 0.14 C ATOM 201 O4' DT A 7 9.394 -2.653 3.084 1.00 0.22 O ATOM 202 C3' DT A 7 8.915 -1.292 1.190 1.00 0.13 C ATOM 203 O3' DT A 7 10.212 -0.923 0.717 1.00 0.11 O ATOM 204 C2' DT A 7 8.770 -2.836 0.950 1.00 0.13 C ATOM 205 C1' DT A 7 9.778 -3.455 1.955 1.00 0.16 C ATOM 206 N1 DT A 7 9.711 -4.940 2.127 1.00 0.17 N ATOM 207 C2 DT A 7 10.428 -5.699 1.225 1.00 0.18 C ATOM 208 O2 DT A 7 11.093 -5.230 0.313 1.00 0.25 O ATOM 209 N3 DT A 7 10.382 -7.068 1.380 1.00 0.24 N ATOM 210 C4 DT A 7 9.701 -7.749 2.344 1.00 0.25 C ATOM 211 O4 DT A 7 9.744 -8.969 2.364 1.00 0.33 O ATOM 212 C5 DT A 7 8.971 -6.867 3.263 1.00 0.24 C ATOM 213 C7 DT A 7 8.149 -7.386 4.452 1.00 0.32 C ATOM 214 C6 DT A 7 9.003 -5.524 3.114 1.00 0.22 C ATOM 0 H5' DT A 7 6.841 -2.236 2.792 1.00 0.20 H new ATOM 0 H5'' DT A 7 7.293 -1.370 4.247 1.00 0.20 H new ATOM 0 H4' DT A 7 9.272 -0.513 3.203 1.00 0.14 H new ATOM 0 H3' DT A 7 8.238 -0.579 0.718 1.00 0.13 H new ATOM 0 H2' DT A 7 7.753 -3.178 1.140 1.00 0.13 H new ATOM 0 H2'' DT A 7 9.011 -3.107 -0.078 1.00 0.13 H new ATOM 0 H1' DT A 7 10.831 -3.416 1.678 1.00 0.16 H new ATOM 0 H3 DT A 7 10.909 -7.625 0.708 1.00 0.24 H new ATOM 0 H71 DT A 7 8.153 -6.643 5.249 1.00 0.32 H new ATOM 0 H72 DT A 7 7.123 -7.570 4.132 1.00 0.32 H new ATOM 0 H73 DT A 7 8.587 -8.314 4.820 1.00 0.32 H new ATOM 0 H6 DT A 7 8.448 -4.904 3.802 1.00 0.22 H new ATOM 227 P DG A 8 11.064 0.412 1.035 1.00 0.12 P ATOM 228 OP1 DG A 8 12.413 0.204 0.461 1.00 0.15 O ATOM 229 OP2 DG A 8 10.896 0.775 2.460 1.00 0.22 O ATOM 230 O5' DG A 8 10.352 1.573 0.127 1.00 0.19 O ATOM 231 C5' DG A 8 11.165 2.607 -0.509 1.00 0.20 C ATOM 232 C4' DG A 8 11.616 2.172 -1.922 1.00 0.16 C ATOM 233 O4' DG A 8 10.573 2.188 -2.926 1.00 0.24 O ATOM 234 C3' DG A 8 12.845 2.900 -2.569 1.00 0.15 C ATOM 235 O3' DG A 8 13.179 4.195 -2.031 1.00 0.15 O ATOM 236 C2' DG A 8 12.387 2.986 -4.080 1.00 0.19 C ATOM 237 C1' DG A 8 11.052 2.136 -4.321 1.00 0.21 C ATOM 238 N9 DG A 8 10.136 2.731 -5.321 1.00 0.25 N ATOM 239 C8 DG A 8 9.079 3.579 -5.105 1.00 0.31 C ATOM 240 N7 DG A 8 8.471 3.962 -6.188 1.00 0.34 N ATOM 241 C5 DG A 8 9.160 3.337 -7.211 1.00 0.30 C ATOM 242 C6 DG A 8 8.941 3.397 -8.620 1.00 0.34 C ATOM 243 O6 DG A 8 8.127 4.044 -9.279 1.00 0.39 O ATOM 244 N1 DG A 8 9.849 2.622 -9.294 1.00 0.35 N ATOM 245 C2 DG A 8 10.840 1.889 -8.722 1.00 0.32 C ATOM 246 N2 DG A 8 11.604 1.219 -9.555 1.00 0.38 N ATOM 247 N3 DG A 8 11.068 1.820 -7.414 1.00 0.27 N ATOM 248 C4 DG A 8 10.187 2.572 -6.705 1.00 0.25 C ATOM 0 H5' DG A 8 12.040 2.816 0.107 1.00 0.20 H new ATOM 0 H5'' DG A 8 10.594 3.533 -0.576 1.00 0.20 H new ATOM 0 H4' DG A 8 11.922 1.158 -1.665 1.00 0.16 H new ATOM 0 H3' DG A 8 13.774 2.361 -2.382 1.00 0.15 H new ATOM 0 H2' DG A 8 12.214 4.027 -4.353 1.00 0.19 H new ATOM 0 H2'' DG A 8 13.182 2.614 -4.727 1.00 0.19 H new ATOM 0 H1' DG A 8 11.164 1.142 -4.753 1.00 0.21 H new ATOM 0 H8 DG A 8 8.778 3.901 -4.119 1.00 0.31 H new ATOM 0 H1 DG A 8 9.774 2.593 -10.311 1.00 0.35 H new ATOM 0 H21 DG A 8 12.369 0.646 -9.198 1.00 0.38 H new ATOM 0 H22 DG A 8 11.432 1.271 -10.559 1.00 0.38 H new ATOM 260 P DT A 9 14.183 4.451 -0.746 1.00 0.13 P ATOM 261 OP1 DT A 9 13.790 3.574 0.370 1.00 0.25 O ATOM 262 OP2 DT A 9 14.293 5.900 -0.502 1.00 0.23 O ATOM 263 O5' DT A 9 15.685 3.969 -1.222 1.00 0.16 O ATOM 264 C5' DT A 9 16.889 3.992 -0.387 1.00 0.24 C ATOM 265 C4' DT A 9 18.030 3.042 -0.851 1.00 0.20 C ATOM 266 O4' DT A 9 17.516 1.702 -0.932 1.00 0.21 O ATOM 267 C3' DT A 9 18.640 3.314 -2.226 1.00 0.18 C ATOM 268 O3' DT A 9 20.016 2.895 -2.388 1.00 0.19 O ATOM 269 C2' DT A 9 17.579 2.538 -3.025 1.00 0.17 C ATOM 270 C1' DT A 9 17.344 1.212 -2.275 1.00 0.15 C ATOM 271 N1 DT A 9 15.982 0.666 -2.503 1.00 0.14 N ATOM 272 C2 DT A 9 15.095 0.567 -1.423 1.00 0.14 C ATOM 273 O2 DT A 9 15.334 0.805 -0.246 1.00 0.16 O ATOM 274 N3 DT A 9 13.841 0.135 -1.727 1.00 0.15 N ATOM 275 C4 DT A 9 13.356 -0.207 -2.954 1.00 0.15 C ATOM 276 O4 DT A 9 12.189 -0.555 -3.049 1.00 0.18 O ATOM 277 C5 DT A 9 14.288 -0.098 -4.011 1.00 0.14 C ATOM 278 C7 DT A 9 13.854 -0.454 -5.405 1.00 0.14 C ATOM 279 C6 DT A 9 15.546 0.319 -3.781 1.00 0.14 C ATOM 0 H5' DT A 9 16.610 3.729 0.633 1.00 0.24 H new ATOM 0 H5'' DT A 9 17.274 5.011 -0.359 1.00 0.24 H new ATOM 0 H4' DT A 9 18.811 3.204 -0.109 1.00 0.20 H new ATOM 0 H3' DT A 9 18.788 4.355 -2.513 1.00 0.18 H new ATOM 0 H2' DT A 9 16.654 3.110 -3.099 1.00 0.17 H new ATOM 0 H2'' DT A 9 17.921 2.352 -4.043 1.00 0.17 H new ATOM 0 H1' DT A 9 17.987 0.382 -2.567 1.00 0.15 H new ATOM 0 H3 DT A 9 13.189 0.058 -0.947 1.00 0.15 H new ATOM 0 H71 DT A 9 14.416 0.141 -6.124 1.00 0.14 H new ATOM 0 H72 DT A 9 14.041 -1.513 -5.585 1.00 0.14 H new ATOM 0 H73 DT A 9 12.789 -0.249 -5.518 1.00 0.14 H new ATOM 0 H6 DT A 9 16.237 0.387 -4.608 1.00 0.14 H new ATOM 292 P DG A 10 20.719 1.445 -2.169 1.00 0.12 P ATOM 293 OP1 DG A 10 22.174 1.599 -2.364 1.00 0.19 O ATOM 294 OP2 DG A 10 20.012 0.409 -2.946 1.00 0.17 O ATOM 295 O5' DG A 10 20.507 1.134 -0.606 1.00 0.19 O ATOM 296 C5' DG A 10 20.727 -0.190 -0.075 1.00 0.22 C ATOM 297 C4' DG A 10 19.937 -0.562 1.218 1.00 0.20 C ATOM 298 O4' DG A 10 18.498 -0.421 1.033 1.00 0.21 O ATOM 299 C3' DG A 10 20.254 -2.061 1.544 1.00 0.20 C ATOM 300 O3' DG A 10 20.355 -2.566 2.884 1.00 0.17 O ATOM 301 C2' DG A 10 18.923 -2.618 0.968 1.00 0.17 C ATOM 302 C1' DG A 10 17.802 -1.612 1.383 1.00 0.17 C ATOM 303 N9 DG A 10 16.580 -1.944 0.580 1.00 0.14 N ATOM 304 C8 DG A 10 15.300 -2.319 0.931 1.00 0.17 C ATOM 305 N7 DG A 10 14.547 -2.660 -0.082 1.00 0.16 N ATOM 306 C5 DG A 10 15.395 -2.495 -1.175 1.00 0.12 C ATOM 307 C6 DG A 10 15.193 -2.695 -2.545 1.00 0.14 C ATOM 308 O6 DG A 10 14.185 -3.034 -3.128 1.00 0.17 O ATOM 309 N1 DG A 10 16.314 -2.414 -3.292 1.00 0.17 N ATOM 310 C2 DG A 10 17.505 -1.975 -2.797 1.00 0.15 C ATOM 311 N2 DG A 10 18.485 -1.706 -3.637 1.00 0.21 N ATOM 312 N3 DG A 10 17.727 -1.770 -1.511 1.00 0.12 N ATOM 313 C4 DG A 10 16.620 -2.056 -0.773 1.00 0.10 C ATOM 0 H5' DG A 10 21.791 -0.302 0.131 1.00 0.22 H new ATOM 0 H5'' DG A 10 20.474 -0.914 -0.849 1.00 0.22 H new ATOM 0 H4' DG A 10 20.237 0.108 2.024 1.00 0.20 H new ATOM 0 H3' DG A 10 21.253 -2.310 1.186 1.00 0.20 H new ATOM 0 H2' DG A 10 18.979 -2.710 -0.117 1.00 0.17 H new ATOM 0 H2'' DG A 10 18.716 -3.613 1.362 1.00 0.17 H new ATOM 0 H1' DG A 10 17.420 -1.584 2.404 1.00 0.17 H new ATOM 0 H8 DG A 10 14.950 -2.330 1.953 1.00 0.17 H new ATOM 0 H1 DG A 10 16.248 -2.545 -4.301 1.00 0.17 H new ATOM 0 H21 DG A 10 19.383 -1.376 -3.284 1.00 0.21 H new ATOM 0 H22 DG A 10 18.345 -1.828 -4.640 1.00 0.21 H new ATOM 325 P DG A 11 20.655 -4.153 3.112 1.00 0.17 P ATOM 326 OP1 DG A 11 21.013 -4.356 4.538 1.00 0.20 O ATOM 327 OP2 DG A 11 21.544 -4.639 2.039 1.00 0.24 O ATOM 328 O5' DG A 11 19.224 -4.826 2.909 1.00 0.21 O ATOM 329 C5' DG A 11 18.146 -4.418 3.750 1.00 0.17 C ATOM 330 C4' DG A 11 16.858 -4.931 3.191 1.00 0.14 C ATOM 331 O4' DG A 11 16.793 -4.535 1.805 1.00 0.15 O ATOM 332 C3' DG A 11 16.847 -6.487 3.218 1.00 0.18 C ATOM 333 O3' DG A 11 15.744 -7.082 3.885 1.00 0.23 O ATOM 334 C2' DG A 11 16.845 -6.721 1.709 1.00 0.24 C ATOM 335 C1' DG A 11 16.171 -5.546 1.031 1.00 0.19 C ATOM 336 N9 DG A 11 16.379 -5.512 -0.438 1.00 0.20 N ATOM 337 C8 DG A 11 17.524 -5.399 -1.236 1.00 0.22 C ATOM 338 N7 DG A 11 17.274 -5.462 -2.518 1.00 0.18 N ATOM 339 C5 DG A 11 15.893 -5.609 -2.575 1.00 0.16 C ATOM 340 C6 DG A 11 15.022 -5.731 -3.674 1.00 0.16 C ATOM 341 O6 DG A 11 15.294 -5.710 -4.851 1.00 0.18 O ATOM 342 N1 DG A 11 13.711 -5.859 -3.304 1.00 0.16 N ATOM 343 C2 DG A 11 13.261 -5.873 -2.021 1.00 0.15 C ATOM 344 N2 DG A 11 11.960 -5.971 -1.877 1.00 0.20 N ATOM 345 N3 DG A 11 14.070 -5.771 -0.971 1.00 0.17 N ATOM 346 C4 DG A 11 15.361 -5.641 -1.320 1.00 0.16 C ATOM 0 H5' DG A 11 18.117 -3.331 3.821 1.00 0.17 H new ATOM 0 H5'' DG A 11 18.294 -4.799 4.760 1.00 0.17 H new ATOM 0 H4' DG A 11 16.026 -4.538 3.776 1.00 0.14 H new ATOM 0 H3' DG A 11 17.662 -6.939 3.784 1.00 0.18 H new ATOM 0 H2' DG A 11 17.866 -6.832 1.343 1.00 0.24 H new ATOM 0 H2'' DG A 11 16.319 -7.646 1.472 1.00 0.24 H new ATOM 0 H1' DG A 11 15.082 -5.504 1.027 1.00 0.19 H new ATOM 0 H8 DG A 11 18.517 -5.272 -0.832 1.00 0.22 H new ATOM 0 H1 DG A 11 13.018 -5.951 -4.047 1.00 0.16 H new ATOM 0 H21 DG A 11 11.550 -5.988 -0.943 1.00 0.20 H new ATOM 0 H22 DG A 11 11.359 -6.031 -2.699 1.00 0.20 H new ATOM 358 P DT A 12 15.879 -8.093 5.138 1.00 0.20 P ATOM 359 OP1 DT A 12 14.701 -8.976 5.107 1.00 0.25 O ATOM 360 OP2 DT A 12 16.166 -7.313 6.351 1.00 0.36 O ATOM 361 O5' DT A 12 17.200 -8.994 4.824 1.00 0.18 O ATOM 362 C5' DT A 12 17.249 -10.112 3.926 1.00 0.22 C ATOM 363 C4' DT A 12 18.652 -10.486 3.458 1.00 0.25 C ATOM 364 O4' DT A 12 19.623 -10.832 4.503 1.00 0.27 O ATOM 365 C3' DT A 12 19.364 -9.394 2.594 1.00 0.21 C ATOM 366 O3' DT A 12 19.076 -9.568 1.197 1.00 0.24 O ATOM 367 C2' DT A 12 20.832 -9.731 2.833 1.00 0.24 C ATOM 368 C1' DT A 12 20.750 -9.966 4.385 1.00 0.26 C ATOM 369 N1 DT A 12 20.382 -8.750 5.192 1.00 0.22 N ATOM 370 C2 DT A 12 20.842 -7.496 4.771 1.00 0.22 C ATOM 371 O2 DT A 12 21.535 -7.288 3.783 1.00 0.25 O ATOM 372 N3 DT A 12 20.486 -6.401 5.550 1.00 0.22 N ATOM 373 C4 DT A 12 19.729 -6.432 6.698 1.00 0.22 C ATOM 374 O4 DT A 12 19.475 -5.404 7.302 1.00 0.24 O ATOM 375 C5 DT A 12 19.290 -7.736 7.076 1.00 0.23 C ATOM 376 C7 DT A 12 18.419 -7.963 8.326 1.00 0.25 C ATOM 377 C6 DT A 12 19.613 -8.828 6.341 1.00 0.23 C ATOM 0 H5' DT A 12 16.636 -9.888 3.053 1.00 0.22 H new ATOM 0 H5'' DT A 12 16.801 -10.976 4.417 1.00 0.22 H new ATOM 0 H4' DT A 12 18.405 -11.373 2.874 1.00 0.25 H new ATOM 0 H3' DT A 12 19.064 -8.378 2.851 1.00 0.21 H new ATOM 0 H2' DT A 12 21.161 -10.614 2.285 1.00 0.24 H new ATOM 0 H2'' DT A 12 21.505 -8.918 2.560 1.00 0.24 H new ATOM 0 H1' DT A 12 21.718 -10.311 4.748 1.00 0.26 H new ATOM 0 H3 DT A 12 20.818 -5.487 5.241 1.00 0.22 H new ATOM 0 H71 DT A 12 17.778 -8.830 8.170 1.00 0.25 H new ATOM 0 H72 DT A 12 19.061 -8.137 9.190 1.00 0.25 H new ATOM 0 H73 DT A 12 17.802 -7.083 8.504 1.00 0.25 H new ATOM 0 H6 DT A 12 19.257 -9.795 6.664 1.00 0.23 H new ATOM 390 P DT A 13 19.229 -8.447 0.065 1.00 0.25 P ATOM 391 OP1 DT A 13 19.602 -7.184 0.714 1.00 0.31 O ATOM 392 OP2 DT A 13 18.031 -8.482 -0.783 1.00 0.38 O ATOM 393 O5' DT A 13 20.530 -8.883 -0.762 1.00 0.25 O ATOM 394 C5' DT A 13 20.819 -10.185 -1.277 1.00 0.27 C ATOM 395 C4' DT A 13 20.082 -10.555 -2.541 1.00 0.29 C ATOM 396 O4' DT A 13 18.652 -10.753 -2.428 1.00 0.29 O ATOM 397 C3' DT A 13 20.306 -9.549 -3.671 1.00 0.31 C ATOM 398 O3' DT A 13 20.657 -10.259 -4.858 1.00 0.34 O ATOM 399 C2' DT A 13 18.846 -9.016 -3.786 1.00 0.27 C ATOM 400 C1' DT A 13 17.953 -10.237 -3.571 1.00 0.24 C ATOM 401 N1 DT A 13 16.510 -9.911 -3.375 1.00 0.24 N ATOM 402 C2 DT A 13 15.764 -9.631 -4.509 1.00 0.30 C ATOM 403 O2 DT A 13 16.208 -9.591 -5.649 1.00 0.37 O ATOM 404 N3 DT A 13 14.436 -9.369 -4.298 1.00 0.36 N ATOM 405 C4 DT A 13 13.805 -9.356 -3.100 1.00 0.40 C ATOM 406 O4 DT A 13 12.612 -9.125 -3.110 1.00 0.51 O ATOM 407 C5 DT A 13 14.652 -9.644 -1.983 1.00 0.37 C ATOM 408 C7 DT A 13 14.053 -9.615 -0.562 1.00 0.53 C ATOM 409 C6 DT A 13 15.947 -9.913 -2.130 1.00 0.29 C ATOM 0 H5' DT A 13 20.584 -10.922 -0.509 1.00 0.27 H new ATOM 0 H5'' DT A 13 21.890 -10.253 -1.467 1.00 0.27 H new ATOM 0 H4' DT A 13 20.528 -11.524 -2.764 1.00 0.29 H new ATOM 0 H3' DT A 13 21.080 -8.797 -3.517 1.00 0.31 H new ATOM 0 H2' DT A 13 18.648 -8.247 -3.039 1.00 0.27 H new ATOM 0 H2'' DT A 13 18.668 -8.565 -4.762 1.00 0.27 H new ATOM 0 H1' DT A 13 17.843 -10.933 -4.403 1.00 0.24 H new ATOM 0 H3 DT A 13 13.869 -9.164 -5.121 1.00 0.36 H new ATOM 0 H71 DT A 13 14.588 -10.321 0.073 1.00 0.53 H new ATOM 0 H72 DT A 13 14.147 -8.611 -0.148 1.00 0.53 H new ATOM 0 H73 DT A 13 13.000 -9.893 -0.605 1.00 0.53 H new ATOM 0 H6 DT A 13 16.554 -10.133 -1.264 1.00 0.29 H new ATOM 422 P DG A 14 22.135 -10.597 -5.290 1.00 0.24 P ATOM 423 OP1 DG A 14 22.161 -11.910 -5.860 1.00 0.45 O ATOM 424 OP2 DG A 14 22.977 -10.294 -4.193 1.00 0.53 O ATOM 425 O5' DG A 14 22.480 -9.600 -6.445 1.00 0.53 O ATOM 426 C5' DG A 14 23.359 -9.834 -7.562 1.00 0.51 C ATOM 427 C4' DG A 14 23.388 -8.683 -8.554 1.00 0.40 C ATOM 428 O4' DG A 14 22.074 -8.304 -9.006 1.00 0.33 O ATOM 429 C3' DG A 14 24.018 -7.448 -7.913 1.00 0.37 C ATOM 430 O3' DG A 14 24.636 -6.626 -8.904 1.00 0.30 O ATOM 431 C2' DG A 14 22.642 -6.772 -7.527 1.00 0.29 C ATOM 432 C1' DG A 14 21.822 -6.907 -8.784 1.00 0.20 C ATOM 433 N9 DG A 14 20.371 -6.577 -8.713 1.00 0.20 N ATOM 434 C8 DG A 14 19.429 -6.480 -9.720 1.00 0.28 C ATOM 435 N7 DG A 14 18.231 -6.191 -9.289 1.00 0.31 N ATOM 436 C5 DG A 14 18.382 -6.087 -7.923 1.00 0.25 C ATOM 437 C6 DG A 14 17.427 -5.795 -6.948 1.00 0.25 C ATOM 438 O6 DG A 14 16.246 -5.541 -7.140 1.00 0.29 O ATOM 439 N1 DG A 14 17.940 -5.779 -5.690 1.00 0.21 N ATOM 440 C2 DG A 14 19.252 -6.022 -5.388 1.00 0.17 C ATOM 441 N2 DG A 14 19.569 -5.971 -4.105 1.00 0.23 N ATOM 442 N3 DG A 14 20.177 -6.301 -6.299 1.00 0.17 N ATOM 443 C4 DG A 14 19.664 -6.318 -7.553 1.00 0.19 C ATOM 0 H5' DG A 14 23.046 -10.742 -8.078 1.00 0.51 H new ATOM 0 H5'' DG A 14 24.369 -10.010 -7.191 1.00 0.51 H new ATOM 0 H4' DG A 14 23.970 -9.036 -9.405 1.00 0.40 H new ATOM 0 H3' DG A 14 24.770 -7.620 -7.143 1.00 0.37 H new ATOM 0 H2' DG A 14 22.170 -7.275 -6.683 1.00 0.29 H new ATOM 0 H2'' DG A 14 22.773 -5.728 -7.243 1.00 0.29 H new ATOM 0 H1' DG A 14 22.095 -6.197 -9.565 1.00 0.20 H new ATOM 0 H8 DG A 14 19.662 -6.629 -10.764 1.00 0.28 H new ATOM 0 H1 DG A 14 17.305 -5.572 -4.919 1.00 0.21 H new ATOM 0 H21 DG A 14 20.530 -6.142 -3.810 1.00 0.23 H new ATOM 0 H22 DG A 14 18.852 -5.760 -3.411 1.00 0.23 H new ATOM 455 P DG A 15 25.370 -5.244 -8.599 1.00 0.29 P ATOM 456 OP1 DG A 15 26.576 -5.192 -9.429 1.00 0.39 O ATOM 457 OP2 DG A 15 25.464 -5.026 -7.151 1.00 0.41 O ATOM 458 O5' DG A 15 24.270 -4.207 -9.170 1.00 0.26 O ATOM 459 C5' DG A 15 23.869 -4.308 -10.548 1.00 0.25 C ATOM 460 C4' DG A 15 22.707 -3.390 -10.924 1.00 0.24 C ATOM 461 O4' DG A 15 21.579 -3.660 -10.019 1.00 0.25 O ATOM 462 C3' DG A 15 23.046 -1.892 -10.740 1.00 0.24 C ATOM 463 O3' DG A 15 22.115 -1.058 -11.459 1.00 0.27 O ATOM 464 C2' DG A 15 22.677 -1.796 -9.232 1.00 0.19 C ATOM 465 C1' DG A 15 21.290 -2.491 -9.192 1.00 0.18 C ATOM 466 N9 DG A 15 20.419 -2.688 -7.989 1.00 0.15 N ATOM 467 C8 DG A 15 20.622 -2.934 -6.628 1.00 0.17 C ATOM 468 N7 DG A 15 19.508 -3.005 -5.968 1.00 0.16 N ATOM 469 C5 DG A 15 18.515 -2.797 -6.904 1.00 0.14 C ATOM 470 C6 DG A 15 17.109 -2.767 -6.766 1.00 0.16 C ATOM 471 O6 DG A 15 16.428 -2.929 -5.764 1.00 0.18 O ATOM 472 N1 DG A 15 16.484 -2.537 -7.963 1.00 0.21 N ATOM 473 C2 DG A 15 17.122 -2.354 -9.158 1.00 0.21 C ATOM 474 N2 DG A 15 16.402 -2.166 -10.248 1.00 0.26 N ATOM 475 N3 DG A 15 18.433 -2.377 -9.296 1.00 0.18 N ATOM 476 C4 DG A 15 19.064 -2.608 -8.130 1.00 0.14 C ATOM 0 H5' DG A 15 23.587 -5.340 -10.759 1.00 0.25 H new ATOM 0 H5'' DG A 15 24.724 -4.074 -11.183 1.00 0.25 H new ATOM 0 H4' DG A 15 22.479 -3.587 -11.972 1.00 0.24 H new ATOM 0 H3' DG A 15 24.045 -1.594 -11.059 1.00 0.24 H new ATOM 0 H2' DG A 15 23.406 -2.304 -8.601 1.00 0.19 H new ATOM 0 H2'' DG A 15 22.625 -0.762 -8.890 1.00 0.19 H new ATOM 0 HO3' DG A 15 22.349 -0.116 -11.326 1.00 0.27 H new ATOM 0 H1' DG A 15 20.532 -1.773 -9.505 1.00 0.18 H new ATOM 0 H8 DG A 15 21.596 -3.052 -6.177 1.00 0.17 H new ATOM 0 H1 DG A 15 15.465 -2.499 -7.963 1.00 0.21 H new ATOM 0 H21 DG A 15 16.864 -2.028 -11.147 1.00 0.26 H new ATOM 0 H22 DG A 15 15.384 -2.159 -10.191 1.00 0.26 H new TER 489 DG A 15