USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 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 -134:sc= 1.02 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.0112 (180deg=-0.0358) USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.14 (180deg=-2.91) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.228 (180deg=-0.228) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.00814) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.317 2.737 -11.861 1.00 0.40 O ATOM 2 C5' DG A 1 9.287 2.601 -13.270 1.00 0.30 C ATOM 3 C4' DG A 1 9.414 1.123 -13.669 1.00 0.19 C ATOM 4 O4' DG A 1 10.704 0.585 -13.247 1.00 0.18 O ATOM 5 C3' DG A 1 8.353 0.187 -13.059 1.00 0.17 C ATOM 6 O3' DG A 1 7.985 -0.858 -13.954 1.00 0.20 O ATOM 7 C2' DG A 1 9.170 -0.407 -11.941 1.00 0.22 C ATOM 8 C1' DG A 1 10.523 -0.672 -12.584 1.00 0.16 C ATOM 9 N9 DG A 1 11.583 -1.070 -11.629 1.00 0.20 N ATOM 10 C8 DG A 1 12.957 -1.080 -11.798 1.00 0.31 C ATOM 11 N7 DG A 1 13.614 -1.489 -10.758 1.00 0.31 N ATOM 12 C5 DG A 1 12.627 -1.780 -9.827 1.00 0.20 C ATOM 13 C6 DG A 1 12.728 -2.279 -8.508 1.00 0.19 C ATOM 14 O6 DG A 1 13.739 -2.571 -7.887 1.00 0.24 O ATOM 15 N1 DG A 1 11.488 -2.426 -7.923 1.00 0.17 N ATOM 16 C2 DG A 1 10.293 -2.144 -8.542 1.00 0.17 C ATOM 17 N2 DG A 1 9.183 -2.324 -7.880 1.00 0.29 N ATOM 18 N3 DG A 1 10.186 -1.690 -9.774 1.00 0.14 N ATOM 19 C4 DG A 1 11.389 -1.532 -10.352 1.00 0.15 C ATOM 0 H5' DG A 1 10.100 3.175 -13.714 1.00 0.30 H new ATOM 0 H5'' DG A 1 8.356 3.011 -13.661 1.00 0.30 H new ATOM 0 H4' DG A 1 9.285 1.139 -14.751 1.00 0.19 H new ATOM 0 H3' DG A 1 7.422 0.685 -12.789 1.00 0.17 H new ATOM 0 H2' DG A 1 9.255 0.279 -11.099 1.00 0.22 H new ATOM 0 H2'' DG A 1 8.721 -1.324 -11.561 1.00 0.22 H new ATOM 0 HO5' DG A 1 8.600 3.341 -11.575 1.00 0.40 H new ATOM 0 H1' DG A 1 10.575 -1.534 -13.249 1.00 0.16 H new ATOM 0 H8 DG A 1 13.439 -0.774 -12.715 1.00 0.31 H new ATOM 0 H1 DG A 1 11.455 -2.768 -6.963 1.00 0.17 H new ATOM 0 H21 DG A 1 8.287 -2.120 -8.322 1.00 0.29 H new ATOM 0 H22 DG A 1 9.212 -2.668 -6.920 1.00 0.29 H new ATOM 32 P DG A 2 7.084 -2.129 -13.574 1.00 0.20 P ATOM 33 OP1 DG A 2 6.242 -2.517 -14.734 1.00 0.23 O ATOM 34 OP2 DG A 2 6.435 -1.880 -12.279 1.00 0.25 O ATOM 35 O5' DG A 2 8.198 -3.342 -13.310 1.00 0.22 O ATOM 36 C5' DG A 2 9.009 -3.871 -14.377 1.00 0.19 C ATOM 37 C4' DG A 2 9.837 -5.070 -13.917 1.00 0.13 C ATOM 38 O4' DG A 2 10.575 -4.739 -12.683 1.00 0.13 O ATOM 39 C3' DG A 2 8.902 -6.277 -13.570 1.00 0.18 C ATOM 40 O3' DG A 2 9.382 -7.596 -13.899 1.00 0.28 O ATOM 41 C2' DG A 2 8.795 -5.992 -12.112 1.00 0.18 C ATOM 42 C1' DG A 2 10.223 -5.685 -11.678 1.00 0.15 C ATOM 43 N9 DG A 2 10.521 -5.539 -10.240 1.00 0.14 N ATOM 44 C8 DG A 2 9.666 -5.333 -9.197 1.00 0.17 C ATOM 45 N7 DG A 2 10.245 -5.301 -8.040 1.00 0.21 N ATOM 46 C5 DG A 2 11.564 -5.491 -8.312 1.00 0.16 C ATOM 47 C6 DG A 2 12.622 -5.542 -7.405 1.00 0.18 C ATOM 48 O6 DG A 2 12.561 -5.429 -6.184 1.00 0.22 O ATOM 49 N1 DG A 2 13.811 -5.745 -8.040 1.00 0.17 N ATOM 50 C2 DG A 2 13.983 -5.887 -9.393 1.00 0.17 C ATOM 51 N2 DG A 2 15.231 -6.064 -9.840 1.00 0.23 N ATOM 52 N3 DG A 2 12.966 -5.840 -10.255 1.00 0.17 N ATOM 53 C4 DG A 2 11.774 -5.635 -9.650 1.00 0.14 C ATOM 0 H5' DG A 2 9.673 -3.091 -14.750 1.00 0.19 H new ATOM 0 H5'' DG A 2 8.369 -4.168 -15.208 1.00 0.19 H new ATOM 0 H4' DG A 2 10.521 -5.325 -14.727 1.00 0.13 H new ATOM 0 H3' DG A 2 7.975 -6.328 -14.141 1.00 0.18 H new ATOM 0 H2' DG A 2 8.132 -5.149 -11.920 1.00 0.18 H new ATOM 0 H2'' DG A 2 8.390 -6.846 -11.569 1.00 0.18 H new ATOM 0 H1' DG A 2 10.938 -6.508 -11.655 1.00 0.15 H new ATOM 0 H8 DG A 2 8.601 -5.208 -9.325 1.00 0.17 H new ATOM 0 H1 DG A 2 14.647 -5.796 -7.457 1.00 0.17 H new ATOM 0 H21 DG A 2 15.404 -6.174 -10.839 1.00 0.23 H new ATOM 0 H22 DG A 2 16.010 -6.089 -9.182 1.00 0.23 H new ATOM 65 P DT A 3 9.700 -8.849 -12.925 1.00 0.21 P ATOM 66 OP1 DT A 3 10.836 -8.510 -12.052 1.00 0.34 O ATOM 67 OP2 DT A 3 9.798 -10.047 -13.780 1.00 0.25 O ATOM 68 O5' DT A 3 8.408 -9.100 -11.996 1.00 0.26 O ATOM 69 C5' DT A 3 7.473 -10.205 -12.078 1.00 0.25 C ATOM 70 C4' DT A 3 6.052 -9.702 -12.418 1.00 0.24 C ATOM 71 O4' DT A 3 6.047 -8.863 -13.629 1.00 0.25 O ATOM 72 C3' DT A 3 5.411 -8.849 -11.287 1.00 0.21 C ATOM 73 O3' DT A 3 6.317 -8.102 -10.516 1.00 0.22 O ATOM 74 C2' DT A 3 4.667 -7.885 -12.279 1.00 0.23 C ATOM 75 C1' DT A 3 5.765 -7.511 -13.263 1.00 0.20 C ATOM 76 N1 DT A 3 5.415 -6.601 -14.370 1.00 0.19 N ATOM 77 C2 DT A 3 5.392 -5.260 -14.089 1.00 0.23 C ATOM 78 O2 DT A 3 5.587 -4.840 -12.960 1.00 0.29 O ATOM 79 N3 DT A 3 5.122 -4.433 -15.152 1.00 0.26 N ATOM 80 C4 DT A 3 4.859 -4.828 -16.450 1.00 0.26 C ATOM 81 O4 DT A 3 4.649 -4.019 -17.338 1.00 0.31 O ATOM 82 C5 DT A 3 4.890 -6.224 -16.646 1.00 0.25 C ATOM 83 C7 DT A 3 4.601 -6.748 -18.056 1.00 0.30 C ATOM 84 C6 DT A 3 5.158 -7.064 -15.642 1.00 0.24 C ATOM 0 H5' DT A 3 7.455 -10.743 -11.130 1.00 0.25 H new ATOM 0 H5'' DT A 3 7.805 -10.911 -12.839 1.00 0.25 H new ATOM 0 H4' DT A 3 5.472 -10.614 -12.562 1.00 0.24 H new ATOM 0 H3' DT A 3 4.864 -9.408 -10.528 1.00 0.21 H new ATOM 0 H2' DT A 3 3.830 -8.379 -12.773 1.00 0.23 H new ATOM 0 H2'' DT A 3 4.264 -7.010 -11.769 1.00 0.23 H new ATOM 0 H1' DT A 3 6.579 -6.896 -12.879 1.00 0.20 H new ATOM 0 H3 DT A 3 5.115 -3.430 -14.965 1.00 0.26 H new ATOM 0 H71 DT A 3 3.922 -6.065 -18.566 1.00 0.30 H new ATOM 0 H72 DT A 3 5.533 -6.819 -18.616 1.00 0.30 H new ATOM 0 H73 DT A 3 4.141 -7.734 -17.991 1.00 0.30 H new ATOM 0 H6 DT A 3 5.173 -8.127 -15.831 1.00 0.24 H new ATOM 97 P DT A 4 5.865 -7.145 -9.279 1.00 0.17 P ATOM 98 OP1 DT A 4 4.483 -6.693 -9.494 1.00 0.27 O ATOM 99 OP2 DT A 4 6.939 -6.154 -9.068 1.00 0.22 O ATOM 100 O5' DT A 4 5.899 -8.176 -8.056 1.00 0.25 O ATOM 101 C5' DT A 4 5.003 -9.289 -7.994 1.00 0.31 C ATOM 102 C4' DT A 4 5.084 -10.059 -6.675 1.00 0.25 C ATOM 103 O4' DT A 4 6.426 -10.578 -6.419 1.00 0.23 O ATOM 104 C3' DT A 4 4.766 -9.236 -5.417 1.00 0.25 C ATOM 105 O3' DT A 4 4.416 -10.073 -4.322 1.00 0.21 O ATOM 106 C2' DT A 4 6.174 -8.660 -5.189 1.00 0.22 C ATOM 107 C1' DT A 4 7.135 -9.853 -5.369 1.00 0.18 C ATOM 108 N1 DT A 4 8.565 -9.496 -5.680 1.00 0.16 N ATOM 109 C2 DT A 4 9.440 -9.366 -4.605 1.00 0.19 C ATOM 110 O2 DT A 4 9.067 -9.437 -3.443 1.00 0.26 O ATOM 111 N3 DT A 4 10.758 -9.104 -4.906 1.00 0.20 N ATOM 112 C4 DT A 4 11.296 -8.949 -6.165 1.00 0.18 C ATOM 113 O4 DT A 4 12.503 -8.769 -6.293 1.00 0.24 O ATOM 114 C5 DT A 4 10.322 -9.074 -7.222 1.00 0.16 C ATOM 115 C7 DT A 4 10.747 -8.843 -8.678 1.00 0.25 C ATOM 116 C6 DT A 4 9.027 -9.341 -6.972 1.00 0.15 C ATOM 0 H5' DT A 4 5.222 -9.969 -8.817 1.00 0.31 H new ATOM 0 H5'' DT A 4 3.983 -8.933 -8.137 1.00 0.31 H new ATOM 0 H4' DT A 4 4.335 -10.837 -6.825 1.00 0.25 H new ATOM 0 H3' DT A 4 3.941 -8.530 -5.511 1.00 0.25 H new ATOM 0 H2' DT A 4 6.395 -7.866 -5.902 1.00 0.22 H new ATOM 0 H2'' DT A 4 6.266 -8.228 -4.193 1.00 0.22 H new ATOM 0 H1' DT A 4 7.314 -10.429 -4.461 1.00 0.18 H new ATOM 0 H3 DT A 4 11.400 -9.016 -4.118 1.00 0.20 H new ATOM 0 H71 DT A 4 11.566 -8.124 -8.708 1.00 0.25 H new ATOM 0 H72 DT A 4 11.075 -9.786 -9.115 1.00 0.25 H new ATOM 0 H73 DT A 4 9.902 -8.454 -9.246 1.00 0.25 H new ATOM 0 H6 DT A 4 8.336 -9.436 -7.797 1.00 0.15 H new ATOM 129 P DG A 5 3.273 -9.739 -3.257 1.00 0.26 P ATOM 130 OP1 DG A 5 2.956 -10.967 -2.508 1.00 0.28 O ATOM 131 OP2 DG A 5 2.179 -8.979 -3.894 1.00 0.33 O ATOM 132 O5' DG A 5 4.011 -8.756 -2.213 1.00 0.33 O ATOM 133 C5' DG A 5 3.344 -7.939 -1.245 1.00 0.33 C ATOM 134 C4' DG A 5 3.821 -6.503 -1.349 1.00 0.23 C ATOM 135 O4' DG A 5 5.240 -6.434 -1.063 1.00 0.20 O ATOM 136 C3' DG A 5 3.525 -5.844 -2.696 1.00 0.17 C ATOM 137 O3' DG A 5 3.261 -4.455 -2.576 1.00 0.16 O ATOM 138 C2' DG A 5 4.982 -5.992 -3.245 1.00 0.13 C ATOM 139 C1' DG A 5 5.859 -5.617 -2.076 1.00 0.17 C ATOM 140 N9 DG A 5 7.286 -5.969 -2.277 1.00 0.20 N ATOM 141 C8 DG A 5 8.194 -6.486 -1.431 1.00 0.24 C ATOM 142 N7 DG A 5 9.369 -6.677 -1.955 1.00 0.24 N ATOM 143 C5 DG A 5 9.227 -6.250 -3.258 1.00 0.19 C ATOM 144 C6 DG A 5 10.156 -6.210 -4.321 1.00 0.17 C ATOM 145 O6 DG A 5 11.321 -6.536 -4.315 1.00 0.22 O ATOM 146 N1 DG A 5 9.596 -5.699 -5.497 1.00 0.15 N ATOM 147 C2 DG A 5 8.293 -5.285 -5.592 1.00 0.16 C ATOM 148 N2 DG A 5 7.865 -4.804 -6.735 1.00 0.24 N ATOM 149 N3 DG A 5 7.406 -5.313 -4.608 1.00 0.16 N ATOM 150 C4 DG A 5 7.948 -5.813 -3.465 1.00 0.17 C ATOM 0 H5' DG A 5 3.536 -8.321 -0.242 1.00 0.33 H new ATOM 0 H5'' DG A 5 2.266 -7.984 -1.402 1.00 0.33 H new ATOM 0 H4' DG A 5 3.254 -5.939 -0.608 1.00 0.23 H new ATOM 0 H3' DG A 5 2.679 -6.252 -3.250 1.00 0.17 H new ATOM 0 H2' DG A 5 5.180 -7.010 -3.580 1.00 0.13 H new ATOM 0 H2'' DG A 5 5.154 -5.336 -4.098 1.00 0.13 H new ATOM 0 H1' DG A 5 5.909 -4.549 -1.866 1.00 0.17 H new ATOM 0 H8 DG A 5 7.967 -6.723 -0.402 1.00 0.24 H new ATOM 0 H1 DG A 5 10.187 -5.631 -6.325 1.00 0.15 H new ATOM 0 H21 DG A 5 6.899 -4.490 -6.827 1.00 0.24 H new ATOM 0 H22 DG A 5 8.499 -4.744 -7.532 1.00 0.24 H new ATOM 162 P DG A 6 2.877 -3.494 -3.801 1.00 0.19 P ATOM 163 OP1 DG A 6 1.671 -4.031 -4.444 1.00 0.27 O ATOM 164 OP2 DG A 6 4.076 -3.197 -4.611 1.00 0.26 O ATOM 165 O5' DG A 6 2.423 -2.176 -2.980 1.00 0.26 O ATOM 166 C5' DG A 6 3.293 -1.190 -2.386 1.00 0.27 C ATOM 167 C4' DG A 6 4.414 -1.733 -1.559 1.00 0.25 C ATOM 168 O4' DG A 6 5.332 -2.471 -2.423 1.00 0.23 O ATOM 169 C3' DG A 6 5.267 -0.610 -0.834 1.00 0.28 C ATOM 170 O3' DG A 6 5.651 -0.929 0.493 1.00 0.39 O ATOM 171 C2' DG A 6 6.498 -0.705 -1.708 1.00 0.32 C ATOM 172 C1' DG A 6 6.720 -2.161 -2.073 1.00 0.23 C ATOM 173 N9 DG A 6 7.683 -2.356 -3.166 1.00 0.20 N ATOM 174 C8 DG A 6 7.518 -2.371 -4.503 1.00 0.22 C ATOM 175 N7 DG A 6 8.636 -2.524 -5.187 1.00 0.20 N ATOM 176 C5 DG A 6 9.622 -2.619 -4.235 1.00 0.15 C ATOM 177 C6 DG A 6 11.018 -2.789 -4.340 1.00 0.15 C ATOM 178 O6 DG A 6 11.722 -2.859 -5.322 1.00 0.21 O ATOM 179 N1 DG A 6 11.618 -2.829 -3.108 1.00 0.14 N ATOM 180 C2 DG A 6 10.984 -2.727 -1.889 1.00 0.17 C ATOM 181 N2 DG A 6 11.742 -2.764 -0.806 1.00 0.20 N ATOM 182 N3 DG A 6 9.671 -2.569 -1.760 1.00 0.17 N ATOM 183 C4 DG A 6 9.049 -2.522 -2.987 1.00 0.16 C ATOM 0 H5' DG A 6 2.691 -0.530 -1.762 1.00 0.27 H new ATOM 0 H5'' DG A 6 3.716 -0.578 -3.182 1.00 0.27 H new ATOM 0 H4' DG A 6 3.952 -2.361 -0.797 1.00 0.25 H new ATOM 0 H3' DG A 6 4.745 0.342 -0.739 1.00 0.28 H new ATOM 0 H2' DG A 6 6.370 -0.104 -2.609 1.00 0.32 H new ATOM 0 H2'' DG A 6 7.367 -0.310 -1.182 1.00 0.32 H new ATOM 0 H1' DG A 6 7.172 -2.794 -1.309 1.00 0.23 H new ATOM 0 H8 DG A 6 6.552 -2.267 -4.975 1.00 0.22 H new ATOM 0 H1 DG A 6 12.631 -2.945 -3.092 1.00 0.14 H new ATOM 0 H21 DG A 6 11.315 -2.692 0.118 1.00 0.20 H new ATOM 0 H22 DG A 6 12.753 -2.865 -0.894 1.00 0.20 H new ATOM 195 P DT A 7 5.325 -0.152 1.795 1.00 0.33 P ATOM 196 OP1 DT A 7 4.396 -0.917 2.550 1.00 0.68 O ATOM 197 OP2 DT A 7 5.026 1.219 1.459 1.00 0.46 O ATOM 198 O5' DT A 7 6.658 -0.154 2.658 1.00 0.28 O ATOM 199 C5' DT A 7 7.282 -1.333 3.126 1.00 0.26 C ATOM 200 C4' DT A 7 8.734 -1.426 2.708 1.00 0.20 C ATOM 201 O4' DT A 7 9.323 -2.714 3.088 1.00 0.22 O ATOM 202 C3' DT A 7 8.913 -1.367 1.194 1.00 0.20 C ATOM 203 O3' DT A 7 10.247 -1.033 0.776 1.00 0.21 O ATOM 204 C2' DT A 7 8.740 -2.881 0.934 1.00 0.24 C ATOM 205 C1' DT A 7 9.705 -3.513 1.949 1.00 0.21 C ATOM 206 N1 DT A 7 9.611 -4.976 2.023 1.00 0.27 N ATOM 207 C2 DT A 7 10.382 -5.741 1.171 1.00 0.33 C ATOM 208 O2 DT A 7 11.127 -5.261 0.366 1.00 0.41 O ATOM 209 N3 DT A 7 10.275 -7.114 1.260 1.00 0.46 N ATOM 210 C4 DT A 7 9.460 -7.779 2.142 1.00 0.53 C ATOM 211 O4 DT A 7 9.423 -9.003 2.184 1.00 0.66 O ATOM 212 C5 DT A 7 8.696 -6.897 2.994 1.00 0.50 C ATOM 213 C7 DT A 7 7.734 -7.519 4.021 1.00 0.68 C ATOM 214 C6 DT A 7 8.772 -5.576 2.932 1.00 0.41 C ATOM 0 H5' DT A 7 6.742 -2.201 2.747 1.00 0.26 H new ATOM 0 H5'' DT A 7 7.218 -1.367 4.214 1.00 0.26 H new ATOM 0 H4' DT A 7 9.212 -0.581 3.204 1.00 0.20 H new ATOM 0 H3' DT A 7 8.267 -0.641 0.701 1.00 0.20 H new ATOM 0 H2' DT A 7 7.712 -3.205 1.097 1.00 0.24 H new ATOM 0 H2'' DT A 7 8.999 -3.148 -0.091 1.00 0.24 H new ATOM 0 H1' DT A 7 10.776 -3.478 1.748 1.00 0.21 H new ATOM 0 H3 DT A 7 10.842 -7.675 0.625 1.00 0.46 H new ATOM 0 H71 DT A 7 7.651 -6.862 4.886 1.00 0.68 H new ATOM 0 H72 DT A 7 6.751 -7.648 3.568 1.00 0.68 H new ATOM 0 H73 DT A 7 8.117 -8.489 4.338 1.00 0.68 H new ATOM 0 H6 DT A 7 8.174 -4.970 3.596 1.00 0.41 H new ATOM 227 P DG A 8 11.070 0.323 1.048 1.00 0.18 P ATOM 228 OP1 DG A 8 12.417 0.155 0.464 1.00 0.23 O ATOM 229 OP2 DG A 8 10.918 0.696 2.470 1.00 0.26 O ATOM 230 O5' DG A 8 10.340 1.470 0.131 1.00 0.18 O ATOM 231 C5' DG A 8 11.083 2.554 -0.489 1.00 0.19 C ATOM 232 C4' DG A 8 11.616 2.164 -1.907 1.00 0.20 C ATOM 233 O4' DG A 8 10.629 2.210 -2.989 1.00 0.18 O ATOM 234 C3' DG A 8 12.844 2.908 -2.510 1.00 0.19 C ATOM 235 O3' DG A 8 13.139 4.200 -2.000 1.00 0.22 O ATOM 236 C2' DG A 8 12.454 2.995 -4.029 1.00 0.24 C ATOM 237 C1' DG A 8 11.179 2.181 -4.361 1.00 0.20 C ATOM 238 N9 DG A 8 10.239 2.796 -5.338 1.00 0.25 N ATOM 239 C8 DG A 8 9.176 3.609 -5.075 1.00 0.31 C ATOM 240 N7 DG A 8 8.535 3.991 -6.147 1.00 0.39 N ATOM 241 C5 DG A 8 9.213 3.385 -7.199 1.00 0.33 C ATOM 242 C6 DG A 8 8.974 3.431 -8.594 1.00 0.38 C ATOM 243 O6 DG A 8 8.092 4.013 -9.200 1.00 0.48 O ATOM 244 N1 DG A 8 9.887 2.678 -9.299 1.00 0.30 N ATOM 245 C2 DG A 8 10.909 1.966 -8.725 1.00 0.23 C ATOM 246 N2 DG A 8 11.670 1.267 -9.538 1.00 0.25 N ATOM 247 N3 DG A 8 11.151 1.916 -7.415 1.00 0.22 N ATOM 248 C4 DG A 8 10.257 2.651 -6.716 1.00 0.25 C ATOM 0 H5' DG A 8 11.922 2.830 0.150 1.00 0.19 H new ATOM 0 H5'' DG A 8 10.442 3.432 -0.571 1.00 0.19 H new ATOM 0 H4' DG A 8 11.916 1.157 -1.616 1.00 0.20 H new ATOM 0 H3' DG A 8 13.760 2.370 -2.266 1.00 0.19 H new ATOM 0 H2' DG A 8 12.296 4.039 -4.301 1.00 0.24 H new ATOM 0 H2'' DG A 8 13.283 2.629 -4.635 1.00 0.24 H new ATOM 0 H1' DG A 8 11.359 1.222 -4.847 1.00 0.20 H new ATOM 0 H8 DG A 8 8.892 3.908 -4.077 1.00 0.31 H new ATOM 0 H1 DG A 8 9.797 2.648 -10.315 1.00 0.30 H new ATOM 0 H21 DG A 8 12.445 0.718 -9.166 1.00 0.25 H new ATOM 0 H22 DG A 8 11.485 1.273 -10.541 1.00 0.25 H new ATOM 260 P DT A 9 14.187 4.421 -0.829 1.00 0.26 P ATOM 261 OP1 DT A 9 13.758 3.557 0.272 1.00 0.34 O ATOM 262 OP2 DT A 9 14.287 5.873 -0.622 1.00 0.43 O ATOM 263 O5' DT A 9 15.662 3.903 -1.328 1.00 0.23 O ATOM 264 C5' DT A 9 16.809 3.976 -0.435 1.00 0.27 C ATOM 265 C4' DT A 9 17.979 3.068 -0.839 1.00 0.24 C ATOM 266 O4' DT A 9 17.529 1.719 -0.961 1.00 0.24 O ATOM 267 C3' DT A 9 18.637 3.320 -2.190 1.00 0.21 C ATOM 268 O3' DT A 9 20.027 2.914 -2.298 1.00 0.20 O ATOM 269 C2' DT A 9 17.607 2.549 -3.033 1.00 0.20 C ATOM 270 C1' DT A 9 17.326 1.226 -2.291 1.00 0.18 C ATOM 271 N1 DT A 9 15.940 0.683 -2.501 1.00 0.17 N ATOM 272 C2 DT A 9 15.062 0.581 -1.429 1.00 0.16 C ATOM 273 O2 DT A 9 15.315 0.814 -0.253 1.00 0.19 O ATOM 274 N3 DT A 9 13.816 0.150 -1.740 1.00 0.16 N ATOM 275 C4 DT A 9 13.313 -0.196 -2.960 1.00 0.15 C ATOM 276 O4 DT A 9 12.145 -0.541 -3.052 1.00 0.19 O ATOM 277 C5 DT A 9 14.255 -0.088 -4.014 1.00 0.15 C ATOM 278 C7 DT A 9 13.848 -0.457 -5.410 1.00 0.16 C ATOM 279 C6 DT A 9 15.501 0.333 -3.769 1.00 0.17 C ATOM 0 H5' DT A 9 16.489 3.710 0.572 1.00 0.27 H new ATOM 0 H5'' DT A 9 17.160 5.007 -0.396 1.00 0.27 H new ATOM 0 H4' DT A 9 18.699 3.278 -0.048 1.00 0.24 H new ATOM 0 H3' DT A 9 18.795 4.359 -2.480 1.00 0.21 H new ATOM 0 H2' DT A 9 16.691 3.129 -3.150 1.00 0.20 H new ATOM 0 H2'' DT A 9 17.993 2.357 -4.034 1.00 0.20 H new ATOM 0 H1' DT A 9 17.932 0.375 -2.602 1.00 0.18 H new ATOM 0 H3 DT A 9 13.167 0.074 -0.957 1.00 0.16 H new ATOM 0 H71 DT A 9 14.416 0.139 -6.124 1.00 0.16 H new ATOM 0 H72 DT A 9 14.049 -1.515 -5.580 1.00 0.16 H new ATOM 0 H73 DT A 9 12.783 -0.264 -5.542 1.00 0.16 H new ATOM 0 H6 DT A 9 16.195 0.403 -4.594 1.00 0.17 H new ATOM 292 P DG A 10 20.682 1.440 -2.193 1.00 0.16 P ATOM 293 OP1 DG A 10 22.131 1.542 -2.447 1.00 0.19 O ATOM 294 OP2 DG A 10 19.894 0.470 -2.973 1.00 0.21 O ATOM 295 O5' DG A 10 20.497 1.081 -0.628 1.00 0.22 O ATOM 296 C5' DG A 10 20.711 -0.248 -0.099 1.00 0.26 C ATOM 297 C4' DG A 10 19.960 -0.600 1.178 1.00 0.14 C ATOM 298 O4' DG A 10 18.518 -0.442 1.003 1.00 0.15 O ATOM 299 C3' DG A 10 20.309 -2.076 1.528 1.00 0.11 C ATOM 300 O3' DG A 10 20.370 -2.535 2.890 1.00 0.14 O ATOM 301 C2' DG A 10 18.925 -2.654 0.968 1.00 0.11 C ATOM 302 C1' DG A 10 17.801 -1.679 1.346 1.00 0.13 C ATOM 303 N9 DG A 10 16.610 -2.000 0.542 1.00 0.14 N ATOM 304 C8 DG A 10 15.315 -2.337 0.892 1.00 0.16 C ATOM 305 N7 DG A 10 14.543 -2.647 -0.119 1.00 0.18 N ATOM 306 C5 DG A 10 15.410 -2.487 -1.192 1.00 0.16 C ATOM 307 C6 DG A 10 15.181 -2.670 -2.560 1.00 0.17 C ATOM 308 O6 DG A 10 14.152 -3.055 -3.106 1.00 0.23 O ATOM 309 N1 DG A 10 16.297 -2.402 -3.314 1.00 0.15 N ATOM 310 C2 DG A 10 17.502 -2.007 -2.841 1.00 0.14 C ATOM 311 N2 DG A 10 18.480 -1.726 -3.687 1.00 0.15 N ATOM 312 N3 DG A 10 17.718 -1.853 -1.567 1.00 0.15 N ATOM 313 C4 DG A 10 16.648 -2.100 -0.798 1.00 0.15 C ATOM 0 H5' DG A 10 21.778 -0.374 0.087 1.00 0.26 H new ATOM 0 H5'' DG A 10 20.434 -0.970 -0.868 1.00 0.26 H new ATOM 0 H4' DG A 10 20.256 0.070 1.985 1.00 0.14 H new ATOM 0 H3' DG A 10 21.307 -2.332 1.173 1.00 0.11 H new ATOM 0 H2' DG A 10 18.975 -2.773 -0.114 1.00 0.11 H new ATOM 0 H2'' DG A 10 18.728 -3.640 1.389 1.00 0.11 H new ATOM 0 H1' DG A 10 17.396 -1.667 2.358 1.00 0.13 H new ATOM 0 H8 DG A 10 14.969 -2.344 1.915 1.00 0.16 H new ATOM 0 H1 DG A 10 16.210 -2.511 -4.324 1.00 0.15 H new ATOM 0 H21 DG A 10 19.390 -1.428 -3.334 1.00 0.15 H new ATOM 0 H22 DG A 10 18.324 -1.807 -4.692 1.00 0.15 H new ATOM 325 P DG A 11 20.708 -4.128 3.102 1.00 0.13 P ATOM 326 OP1 DG A 11 21.159 -4.339 4.499 1.00 0.17 O ATOM 327 OP2 DG A 11 21.551 -4.585 1.971 1.00 0.17 O ATOM 328 O5' DG A 11 19.292 -4.823 2.979 1.00 0.16 O ATOM 329 C5' DG A 11 18.179 -4.431 3.773 1.00 0.22 C ATOM 330 C4' DG A 11 16.886 -4.987 3.216 1.00 0.15 C ATOM 331 O4' DG A 11 16.834 -4.583 1.799 1.00 0.12 O ATOM 332 C3' DG A 11 16.821 -6.503 3.244 1.00 0.17 C ATOM 333 O3' DG A 11 15.671 -7.060 3.888 1.00 0.19 O ATOM 334 C2' DG A 11 16.795 -6.820 1.780 1.00 0.15 C ATOM 335 C1' DG A 11 16.180 -5.648 1.073 1.00 0.14 C ATOM 336 N9 DG A 11 16.425 -5.596 -0.351 1.00 0.15 N ATOM 337 C8 DG A 11 17.560 -5.504 -1.124 1.00 0.16 C ATOM 338 N7 DG A 11 17.335 -5.530 -2.428 1.00 0.17 N ATOM 339 C5 DG A 11 15.946 -5.642 -2.488 1.00 0.16 C ATOM 340 C6 DG A 11 15.090 -5.716 -3.610 1.00 0.18 C ATOM 341 O6 DG A 11 15.394 -5.697 -4.788 1.00 0.23 O ATOM 342 N1 DG A 11 13.778 -5.819 -3.251 1.00 0.19 N ATOM 343 C2 DG A 11 13.331 -5.847 -1.978 1.00 0.18 C ATOM 344 N2 DG A 11 12.044 -5.946 -1.851 1.00 0.23 N ATOM 345 N3 DG A 11 14.091 -5.782 -0.903 1.00 0.16 N ATOM 346 C4 DG A 11 15.401 -5.680 -1.229 1.00 0.14 C ATOM 0 H5' DG A 11 18.123 -3.343 3.813 1.00 0.22 H new ATOM 0 H5'' DG A 11 18.318 -4.781 4.796 1.00 0.22 H new ATOM 0 H4' DG A 11 16.065 -4.609 3.824 1.00 0.15 H new ATOM 0 H3' DG A 11 17.644 -6.924 3.821 1.00 0.17 H new ATOM 0 H2' DG A 11 17.804 -7.004 1.410 1.00 0.15 H new ATOM 0 H2'' DG A 11 16.217 -7.725 1.594 1.00 0.15 H new ATOM 0 H1' DG A 11 15.090 -5.639 1.085 1.00 0.14 H new ATOM 0 H8 DG A 11 18.550 -5.418 -0.702 1.00 0.16 H new ATOM 0 H1 DG A 11 13.086 -5.879 -3.998 1.00 0.19 H new ATOM 0 H21 DG A 11 11.624 -5.974 -0.922 1.00 0.23 H new ATOM 0 H22 DG A 11 11.452 -5.996 -2.680 1.00 0.23 H new ATOM 358 P DT A 12 15.906 -8.006 5.159 1.00 0.20 P ATOM 359 OP1 DT A 12 14.756 -8.921 5.255 1.00 0.28 O ATOM 360 OP2 DT A 12 16.274 -7.166 6.313 1.00 0.29 O ATOM 361 O5' DT A 12 17.224 -8.880 4.761 1.00 0.19 O ATOM 362 C5' DT A 12 17.258 -10.064 3.942 1.00 0.24 C ATOM 363 C4' DT A 12 18.683 -10.482 3.509 1.00 0.21 C ATOM 364 O4' DT A 12 19.613 -10.842 4.580 1.00 0.23 O ATOM 365 C3' DT A 12 19.384 -9.388 2.659 1.00 0.19 C ATOM 366 O3' DT A 12 19.026 -9.527 1.269 1.00 0.23 O ATOM 367 C2' DT A 12 20.870 -9.721 2.921 1.00 0.23 C ATOM 368 C1' DT A 12 20.776 -9.982 4.465 1.00 0.20 C ATOM 369 N1 DT A 12 20.433 -8.731 5.242 1.00 0.17 N ATOM 370 C2 DT A 12 20.895 -7.483 4.813 1.00 0.19 C ATOM 371 O2 DT A 12 21.566 -7.335 3.807 1.00 0.25 O ATOM 372 N3 DT A 12 20.561 -6.398 5.572 1.00 0.21 N ATOM 373 C4 DT A 12 19.817 -6.399 6.724 1.00 0.25 C ATOM 374 O4 DT A 12 19.643 -5.304 7.267 1.00 0.32 O ATOM 375 C5 DT A 12 19.361 -7.745 7.131 1.00 0.27 C ATOM 376 C7 DT A 12 18.537 -7.994 8.374 1.00 0.37 C ATOM 377 C6 DT A 12 19.685 -8.815 6.379 1.00 0.22 C ATOM 0 H5' DT A 12 16.652 -9.896 3.052 1.00 0.24 H new ATOM 0 H5'' DT A 12 16.799 -10.887 4.490 1.00 0.24 H new ATOM 0 H4' DT A 12 18.478 -11.385 2.934 1.00 0.21 H new ATOM 0 H3' DT A 12 19.119 -8.361 2.909 1.00 0.19 H new ATOM 0 H2' DT A 12 21.214 -10.593 2.364 1.00 0.23 H new ATOM 0 H2'' DT A 12 21.539 -8.898 2.670 1.00 0.23 H new ATOM 0 H1' DT A 12 21.720 -10.373 4.846 1.00 0.20 H new ATOM 0 H3 DT A 12 20.900 -5.492 5.248 1.00 0.21 H new ATOM 0 H71 DT A 12 17.896 -8.861 8.218 1.00 0.37 H new ATOM 0 H72 DT A 12 19.200 -8.181 9.219 1.00 0.37 H new ATOM 0 H73 DT A 12 17.920 -7.120 8.583 1.00 0.37 H new ATOM 0 H6 DT A 12 19.335 -9.787 6.692 1.00 0.22 H new ATOM 390 P DT A 13 19.262 -8.447 0.125 1.00 0.18 P ATOM 391 OP1 DT A 13 19.526 -7.174 0.800 1.00 0.22 O ATOM 392 OP2 DT A 13 18.117 -8.467 -0.790 1.00 0.19 O ATOM 393 O5' DT A 13 20.565 -8.919 -0.651 1.00 0.27 O ATOM 394 C5' DT A 13 20.762 -10.191 -1.230 1.00 0.25 C ATOM 395 C4' DT A 13 20.049 -10.554 -2.523 1.00 0.19 C ATOM 396 O4' DT A 13 18.607 -10.697 -2.414 1.00 0.18 O ATOM 397 C3' DT A 13 20.341 -9.563 -3.659 1.00 0.17 C ATOM 398 O3' DT A 13 20.709 -10.232 -4.878 1.00 0.24 O ATOM 399 C2' DT A 13 18.904 -9.023 -3.822 1.00 0.17 C ATOM 400 C1' DT A 13 17.953 -10.210 -3.613 1.00 0.18 C ATOM 401 N1 DT A 13 16.529 -9.806 -3.435 1.00 0.17 N ATOM 402 C2 DT A 13 15.801 -9.475 -4.568 1.00 0.16 C ATOM 403 O2 DT A 13 16.272 -9.534 -5.689 1.00 0.29 O ATOM 404 N3 DT A 13 14.477 -9.074 -4.369 1.00 0.18 N ATOM 405 C4 DT A 13 13.858 -8.992 -3.141 1.00 0.21 C ATOM 406 O4 DT A 13 12.704 -8.632 -3.084 1.00 0.25 O ATOM 407 C5 DT A 13 14.682 -9.359 -2.032 1.00 0.25 C ATOM 408 C7 DT A 13 14.114 -9.340 -0.587 1.00 0.37 C ATOM 409 C6 DT A 13 15.960 -9.745 -2.188 1.00 0.25 C ATOM 0 H5' DT A 13 20.480 -10.934 -0.484 1.00 0.25 H new ATOM 0 H5'' DT A 13 21.832 -10.305 -1.406 1.00 0.25 H new ATOM 0 H4' DT A 13 20.465 -11.535 -2.755 1.00 0.19 H new ATOM 0 H3' DT A 13 21.146 -8.855 -3.461 1.00 0.17 H new ATOM 0 H2' DT A 13 18.703 -8.235 -3.096 1.00 0.17 H new ATOM 0 H2'' DT A 13 18.766 -8.587 -4.811 1.00 0.17 H new ATOM 0 H1' DT A 13 17.837 -10.923 -4.429 1.00 0.18 H new ATOM 0 H3 DT A 13 13.929 -8.824 -5.192 1.00 0.18 H new ATOM 0 H71 DT A 13 13.342 -8.575 -0.510 1.00 0.37 H new ATOM 0 H72 DT A 13 13.685 -10.314 -0.352 1.00 0.37 H new ATOM 0 H73 DT A 13 14.916 -9.118 0.116 1.00 0.37 H new ATOM 0 H6 DT A 13 16.546 -10.010 -1.321 1.00 0.25 H new ATOM 422 P DG A 14 22.197 -10.638 -5.284 1.00 0.20 P ATOM 423 OP1 DG A 14 22.188 -12.023 -5.753 1.00 0.36 O ATOM 424 OP2 DG A 14 23.099 -10.236 -4.216 1.00 0.37 O ATOM 425 O5' DG A 14 22.455 -9.662 -6.514 1.00 0.39 O ATOM 426 C5' DG A 14 23.329 -9.917 -7.623 1.00 0.34 C ATOM 427 C4' DG A 14 23.350 -8.753 -8.624 1.00 0.25 C ATOM 428 O4' DG A 14 22.021 -8.363 -9.097 1.00 0.24 O ATOM 429 C3' DG A 14 23.958 -7.533 -7.944 1.00 0.24 C ATOM 430 O3' DG A 14 24.608 -6.678 -8.917 1.00 0.22 O ATOM 431 C2' DG A 14 22.581 -6.925 -7.513 1.00 0.21 C ATOM 432 C1' DG A 14 21.806 -6.973 -8.809 1.00 0.17 C ATOM 433 N9 DG A 14 20.352 -6.650 -8.721 1.00 0.15 N ATOM 434 C8 DG A 14 19.399 -6.597 -9.740 1.00 0.22 C ATOM 435 N7 DG A 14 18.190 -6.304 -9.345 1.00 0.25 N ATOM 436 C5 DG A 14 18.369 -6.158 -7.964 1.00 0.16 C ATOM 437 C6 DG A 14 17.417 -5.838 -6.990 1.00 0.15 C ATOM 438 O6 DG A 14 16.235 -5.619 -7.176 1.00 0.21 O ATOM 439 N1 DG A 14 17.943 -5.778 -5.723 1.00 0.11 N ATOM 440 C2 DG A 14 19.247 -5.987 -5.425 1.00 0.11 C ATOM 441 N2 DG A 14 19.578 -5.860 -4.147 1.00 0.19 N ATOM 442 N3 DG A 14 20.170 -6.292 -6.312 1.00 0.09 N ATOM 443 C4 DG A 14 19.669 -6.359 -7.573 1.00 0.11 C ATOM 0 H5' DG A 14 23.011 -10.827 -8.133 1.00 0.34 H new ATOM 0 H5'' DG A 14 24.339 -10.095 -7.254 1.00 0.34 H new ATOM 0 H4' DG A 14 23.928 -9.095 -9.482 1.00 0.25 H new ATOM 0 H3' DG A 14 24.715 -7.695 -7.176 1.00 0.24 H new ATOM 0 H2' DG A 14 22.103 -7.511 -6.728 1.00 0.21 H new ATOM 0 H2'' DG A 14 22.683 -5.908 -7.134 1.00 0.21 H new ATOM 0 H1' DG A 14 22.126 -6.234 -9.544 1.00 0.17 H new ATOM 0 H8 DG A 14 19.643 -6.784 -10.775 1.00 0.22 H new ATOM 0 H1 DG A 14 17.308 -5.561 -4.954 1.00 0.11 H new ATOM 0 H21 DG A 14 20.544 -6.004 -3.854 1.00 0.19 H new ATOM 0 H22 DG A 14 18.866 -5.618 -3.457 1.00 0.19 H new ATOM 455 P DG A 15 25.353 -5.282 -8.588 1.00 0.27 P ATOM 456 OP1 DG A 15 26.550 -5.160 -9.424 1.00 0.41 O ATOM 457 OP2 DG A 15 25.446 -5.102 -7.135 1.00 0.38 O ATOM 458 O5' DG A 15 24.255 -4.259 -9.166 1.00 0.29 O ATOM 459 C5' DG A 15 23.880 -4.349 -10.537 1.00 0.28 C ATOM 460 C4' DG A 15 22.686 -3.488 -10.920 1.00 0.26 C ATOM 461 O4' DG A 15 21.552 -3.738 -10.004 1.00 0.25 O ATOM 462 C3' DG A 15 22.999 -1.962 -10.758 1.00 0.31 C ATOM 463 O3' DG A 15 22.081 -1.179 -11.486 1.00 0.35 O ATOM 464 C2' DG A 15 22.660 -1.882 -9.253 1.00 0.30 C ATOM 465 C1' DG A 15 21.297 -2.569 -9.189 1.00 0.24 C ATOM 466 N9 DG A 15 20.400 -2.743 -8.020 1.00 0.19 N ATOM 467 C8 DG A 15 20.582 -2.996 -6.659 1.00 0.22 C ATOM 468 N7 DG A 15 19.455 -3.077 -5.993 1.00 0.23 N ATOM 469 C5 DG A 15 18.471 -2.871 -6.950 1.00 0.19 C ATOM 470 C6 DG A 15 17.074 -2.837 -6.833 1.00 0.22 C ATOM 471 O6 DG A 15 16.405 -3.004 -5.835 1.00 0.27 O ATOM 472 N1 DG A 15 16.451 -2.600 -8.022 1.00 0.24 N ATOM 473 C2 DG A 15 17.111 -2.402 -9.220 1.00 0.22 C ATOM 474 N2 DG A 15 16.404 -2.179 -10.320 1.00 0.28 N ATOM 475 N3 DG A 15 18.429 -2.430 -9.355 1.00 0.20 N ATOM 476 C4 DG A 15 19.039 -2.662 -8.173 1.00 0.18 C ATOM 0 H5' DG A 15 23.653 -5.389 -10.771 1.00 0.28 H new ATOM 0 H5'' DG A 15 24.732 -4.062 -11.154 1.00 0.28 H new ATOM 0 H4' DG A 15 22.455 -3.742 -11.954 1.00 0.26 H new ATOM 0 H3' DG A 15 23.983 -1.625 -11.084 1.00 0.31 H new ATOM 0 H2' DG A 15 23.403 -2.394 -8.641 1.00 0.30 H new ATOM 0 H2'' DG A 15 22.613 -0.851 -8.901 1.00 0.30 H new ATOM 0 HO3' DG A 15 22.295 -0.230 -11.368 1.00 0.35 H new ATOM 0 H1' DG A 15 20.563 -1.817 -9.479 1.00 0.24 H new ATOM 0 H8 DG A 15 21.553 -3.113 -6.201 1.00 0.22 H new ATOM 0 H1 DG A 15 15.432 -2.567 -8.028 1.00 0.24 H new ATOM 0 H21 DG A 15 16.879 -2.031 -11.210 1.00 0.28 H new ATOM 0 H22 DG A 15 15.385 -2.155 -10.275 1.00 0.28 H new TER 489 DG A 15