USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -7.96! (180deg=-7.96!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -12.4! (180deg=-15.3!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -3.39 (180deg=-10.2!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -7.35! (180deg=-7.35!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -4.88! (180deg=-11.4!) USER MOD Single : A 14 DT C7 :methyl 150:sc= -17.2! (180deg=-17.2!) USER MOD Single : A 15 DT C7 :methyl 150:sc= -8.57! (180deg=-8.57!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -5.63! (180deg=-5.63!) USER MOD Single : A 18 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -6.427 4.919 -5.403 1.00 0.29 O ATOM 2 C5' DG A 1 -6.315 4.922 -6.831 1.00 0.27 C ATOM 3 C4' DG A 1 -5.624 3.656 -7.346 1.00 0.21 C ATOM 4 O4' DG A 1 -4.316 3.571 -6.779 1.00 0.17 O ATOM 5 C3' DG A 1 -6.352 2.348 -6.978 1.00 0.21 C ATOM 6 O3' DG A 1 -6.801 1.620 -8.158 1.00 0.26 O ATOM 7 C2' DG A 1 -5.316 1.519 -6.233 1.00 0.17 C ATOM 8 C1' DG A 1 -4.012 2.192 -6.641 1.00 0.15 C ATOM 9 N9 DG A 1 -2.915 2.061 -5.668 1.00 0.13 N ATOM 10 C8 DG A 1 -1.606 1.802 -5.911 1.00 0.13 C ATOM 11 N7 DG A 1 -0.845 1.752 -4.862 1.00 0.12 N ATOM 12 C5 DG A 1 -1.728 2.006 -3.819 1.00 0.11 C ATOM 13 C6 DG A 1 -1.483 2.086 -2.424 1.00 0.11 C ATOM 14 O6 DG A 1 -0.416 1.952 -1.834 1.00 0.11 O ATOM 15 N1 DG A 1 -2.645 2.359 -1.721 1.00 0.12 N ATOM 16 C2 DG A 1 -3.891 2.530 -2.292 1.00 0.13 C ATOM 17 N2 DG A 1 -4.903 2.740 -1.469 1.00 0.13 N ATOM 18 N3 DG A 1 -4.120 2.461 -3.600 1.00 0.14 N ATOM 19 C4 DG A 1 -3.002 2.195 -4.302 1.00 0.12 C ATOM 0 H5' DG A 1 -5.753 5.799 -7.150 1.00 0.27 H new ATOM 0 H5'' DG A 1 -7.308 5.001 -7.274 1.00 0.27 H new ATOM 0 H4' DG A 1 -5.616 3.747 -8.432 1.00 0.21 H new ATOM 0 H3' DG A 1 -7.245 2.555 -6.388 1.00 0.21 H new ATOM 0 H2' DG A 1 -5.470 1.549 -5.154 1.00 0.17 H new ATOM 0 H2'' DG A 1 -5.343 0.471 -6.530 1.00 0.17 H new ATOM 0 HO5' DG A 1 -6.871 5.741 -5.108 1.00 0.29 H new ATOM 0 H1' DG A 1 -3.656 1.709 -7.551 1.00 0.15 H new ATOM 0 H8 DG A 1 -1.224 1.648 -6.909 1.00 0.13 H new ATOM 0 H1 DG A 1 -2.575 2.440 -0.707 1.00 0.12 H new ATOM 0 H21 DG A 1 -5.844 2.872 -1.841 1.00 0.13 H new ATOM 0 H22 DG A 1 -4.744 2.770 -0.462 1.00 0.13 H new ATOM 31 P DG A 2 -5.978 1.531 -9.563 1.00 0.29 P ATOM 32 OP1 DG A 2 -5.831 2.903 -10.096 1.00 0.36 O ATOM 33 OP2 DG A 2 -6.617 0.489 -10.400 1.00 0.40 O ATOM 34 O5' DG A 2 -4.507 0.999 -9.141 1.00 0.25 O ATOM 35 C5' DG A 2 -4.309 -0.266 -8.490 1.00 0.21 C ATOM 36 C4' DG A 2 -3.195 -1.075 -9.114 1.00 0.19 C ATOM 37 O4' DG A 2 -1.951 -0.617 -8.567 1.00 0.21 O ATOM 38 C3' DG A 2 -3.321 -2.569 -8.832 1.00 0.18 C ATOM 39 O3' DG A 2 -3.504 -3.272 -10.063 1.00 0.22 O ATOM 40 C2' DG A 2 -1.995 -2.981 -8.207 1.00 0.18 C ATOM 41 C1' DG A 2 -1.314 -1.676 -7.851 1.00 0.17 C ATOM 42 N9 DG A 2 -1.341 -1.390 -6.409 1.00 0.13 N ATOM 43 C8 DG A 2 -2.403 -1.192 -5.574 1.00 0.14 C ATOM 44 N7 DG A 2 -2.099 -1.082 -4.319 1.00 0.14 N ATOM 45 C5 DG A 2 -0.716 -1.216 -4.315 1.00 0.12 C ATOM 46 C6 DG A 2 0.192 -1.190 -3.231 1.00 0.12 C ATOM 47 O6 DG A 2 -0.060 -1.043 -2.044 1.00 0.14 O ATOM 48 N1 DG A 2 1.503 -1.365 -3.655 1.00 0.12 N ATOM 49 C2 DG A 2 1.884 -1.545 -4.978 1.00 0.12 C ATOM 50 N2 DG A 2 3.178 -1.706 -5.224 1.00 0.14 N ATOM 51 N3 DG A 2 1.027 -1.570 -5.992 1.00 0.12 N ATOM 52 C4 DG A 2 -0.247 -1.401 -5.590 1.00 0.12 C ATOM 0 H5' DG A 2 -5.235 -0.839 -8.530 1.00 0.21 H new ATOM 0 H5'' DG A 2 -4.084 -0.097 -7.437 1.00 0.21 H new ATOM 0 H4' DG A 2 -3.248 -0.937 -10.194 1.00 0.19 H new ATOM 0 H3' DG A 2 -4.166 -2.791 -8.181 1.00 0.18 H new ATOM 0 H2' DG A 2 -2.149 -3.601 -7.324 1.00 0.18 H new ATOM 0 H2'' DG A 2 -1.393 -3.564 -8.904 1.00 0.18 H new ATOM 0 H1' DG A 2 -0.264 -1.761 -8.132 1.00 0.17 H new ATOM 0 H8 DG A 2 -3.420 -1.132 -5.932 1.00 0.14 H new ATOM 0 H1 DG A 2 2.236 -1.361 -2.946 1.00 0.12 H new ATOM 0 H21 DG A 2 3.502 -1.841 -6.182 1.00 0.14 H new ATOM 0 H22 DG A 2 3.848 -1.694 -4.455 1.00 0.14 H new ATOM 64 P DT A 3 -3.943 -4.823 -10.053 1.00 0.26 P ATOM 65 OP1 DT A 3 -3.653 -5.393 -11.387 1.00 0.36 O ATOM 66 OP2 DT A 3 -5.312 -4.915 -9.495 1.00 0.31 O ATOM 67 O5' DT A 3 -2.915 -5.467 -8.986 1.00 0.26 O ATOM 68 C5' DT A 3 -3.359 -5.837 -7.675 1.00 0.26 C ATOM 69 C4' DT A 3 -2.203 -6.207 -6.750 1.00 0.20 C ATOM 70 O4' DT A 3 -2.664 -6.231 -5.410 1.00 0.22 O ATOM 71 C3' DT A 3 -1.690 -7.602 -6.973 1.00 0.17 C ATOM 72 O3' DT A 3 -0.472 -7.800 -6.231 1.00 0.18 O ATOM 73 C2' DT A 3 -2.823 -8.406 -6.351 1.00 0.23 C ATOM 74 C1' DT A 3 -3.297 -7.506 -5.214 1.00 0.23 C ATOM 75 N1 DT A 3 -4.748 -7.254 -5.173 1.00 0.28 N ATOM 76 C2 DT A 3 -5.632 -8.271 -5.498 1.00 0.44 C ATOM 77 O2 DT A 3 -5.266 -9.413 -5.765 1.00 0.54 O ATOM 78 N3 DT A 3 -6.970 -7.931 -5.469 1.00 0.51 N ATOM 79 C4 DT A 3 -7.493 -6.690 -5.147 1.00 0.44 C ATOM 80 O4 DT A 3 -8.705 -6.501 -5.169 1.00 0.51 O ATOM 81 C5 DT A 3 -6.488 -5.701 -4.818 1.00 0.30 C ATOM 82 C7 DT A 3 -6.913 -4.282 -4.445 1.00 0.33 C ATOM 83 C6 DT A 3 -5.179 -6.016 -4.841 1.00 0.24 C ATOM 0 H5' DT A 3 -4.044 -6.682 -7.752 1.00 0.26 H new ATOM 0 H5'' DT A 3 -3.920 -5.011 -7.238 1.00 0.26 H new ATOM 0 H4' DT A 3 -1.425 -5.470 -6.950 1.00 0.20 H new ATOM 0 H3' DT A 3 -1.459 -7.855 -8.008 1.00 0.17 H new ATOM 0 H2' DT A 3 -3.619 -8.603 -7.069 1.00 0.23 H new ATOM 0 H2'' DT A 3 -2.478 -9.373 -5.984 1.00 0.23 H new ATOM 0 H1' DT A 3 -3.043 -8.016 -4.285 1.00 0.23 H new ATOM 0 H3 DT A 3 -7.637 -8.665 -5.708 1.00 0.51 H new ATOM 0 H71 DT A 3 -6.187 -3.855 -3.753 1.00 0.33 H new ATOM 0 H72 DT A 3 -6.962 -3.668 -5.345 1.00 0.33 H new ATOM 0 H73 DT A 3 -7.894 -4.309 -3.970 1.00 0.33 H new ATOM 0 H6 DT A 3 -4.453 -5.258 -4.587 1.00 0.24 H new ATOM 96 P DT A 4 0.876 -6.982 -6.590 1.00 0.18 P ATOM 97 OP1 DT A 4 0.608 -6.136 -7.774 1.00 0.28 O ATOM 98 OP2 DT A 4 1.998 -7.946 -6.618 1.00 0.31 O ATOM 99 O5' DT A 4 1.078 -6.015 -5.309 1.00 0.21 O ATOM 100 C5' DT A 4 2.309 -5.296 -5.114 1.00 0.19 C ATOM 101 C4' DT A 4 3.050 -5.731 -3.877 1.00 0.19 C ATOM 102 O4' DT A 4 2.240 -5.612 -2.721 1.00 0.21 O ATOM 103 C3' DT A 4 3.509 -7.177 -3.929 1.00 0.20 C ATOM 104 O3' DT A 4 4.685 -7.353 -3.114 1.00 0.24 O ATOM 105 C2' DT A 4 2.322 -7.924 -3.324 1.00 0.20 C ATOM 106 C1' DT A 4 1.701 -6.901 -2.394 1.00 0.20 C ATOM 107 N1 DT A 4 0.244 -6.773 -2.513 1.00 0.20 N ATOM 108 C2 DT A 4 -0.572 -7.841 -2.184 1.00 0.22 C ATOM 109 O2 DT A 4 -0.135 -8.961 -1.940 1.00 0.25 O ATOM 110 N3 DT A 4 -1.927 -7.587 -2.222 1.00 0.24 N ATOM 111 C4 DT A 4 -2.517 -6.388 -2.573 1.00 0.25 C ATOM 112 O4 DT A 4 -3.736 -6.262 -2.561 1.00 0.31 O ATOM 113 C5 DT A 4 -1.570 -5.358 -2.924 1.00 0.22 C ATOM 114 C7 DT A 4 -2.039 -4.010 -3.433 1.00 0.24 C ATOM 115 C6 DT A 4 -0.266 -5.584 -2.874 1.00 0.21 C ATOM 0 H5' DT A 4 2.095 -4.229 -5.047 1.00 0.19 H new ATOM 0 H5'' DT A 4 2.949 -5.439 -5.984 1.00 0.19 H new ATOM 0 H4' DT A 4 3.916 -5.071 -3.832 1.00 0.19 H new ATOM 0 H3' DT A 4 3.774 -7.520 -4.929 1.00 0.20 H new ATOM 0 H2' DT A 4 1.619 -8.249 -4.091 1.00 0.20 H new ATOM 0 H2'' DT A 4 2.641 -8.816 -2.785 1.00 0.20 H new ATOM 0 H1' DT A 4 1.928 -7.241 -1.384 1.00 0.20 H new ATOM 0 H3 DT A 4 -2.550 -8.354 -1.968 1.00 0.24 H new ATOM 0 H71 DT A 4 -1.320 -3.243 -3.147 1.00 0.24 H new ATOM 0 H72 DT A 4 -2.124 -4.041 -4.519 1.00 0.24 H new ATOM 0 H73 DT A 4 -3.011 -3.776 -3.000 1.00 0.24 H new ATOM 0 H6 DT A 4 0.411 -4.784 -3.133 1.00 0.21 H new ATOM 128 P DT A 5 6.043 -6.518 -3.404 1.00 0.27 P ATOM 129 OP1 DT A 5 6.112 -6.230 -4.856 1.00 0.35 O ATOM 130 OP2 DT A 5 7.168 -7.206 -2.735 1.00 0.39 O ATOM 131 O5' DT A 5 5.778 -5.129 -2.624 1.00 0.29 O ATOM 132 C5' DT A 5 4.706 -5.015 -1.679 1.00 0.21 C ATOM 133 C4' DT A 5 5.214 -4.848 -0.240 1.00 0.19 C ATOM 134 O4' DT A 5 4.120 -4.932 0.671 1.00 0.18 O ATOM 135 C3' DT A 5 6.256 -5.884 0.180 1.00 0.22 C ATOM 136 O3' DT A 5 7.506 -5.222 0.404 1.00 0.27 O ATOM 137 C2' DT A 5 5.748 -6.477 1.498 1.00 0.32 C ATOM 138 C1' DT A 5 4.510 -5.658 1.844 1.00 0.22 C ATOM 139 N1 DT A 5 3.351 -6.484 2.212 1.00 0.16 N ATOM 140 C2 DT A 5 2.972 -6.586 3.544 1.00 0.19 C ATOM 141 O2 DT A 5 3.594 -6.044 4.455 1.00 0.26 O ATOM 142 N3 DT A 5 1.842 -7.353 3.783 1.00 0.18 N ATOM 143 C4 DT A 5 1.095 -8.006 2.832 1.00 0.17 C ATOM 144 O4 DT A 5 0.130 -8.687 3.160 1.00 0.21 O ATOM 145 C5 DT A 5 1.564 -7.824 1.488 1.00 0.14 C ATOM 146 C7 DT A 5 0.736 -8.333 0.332 1.00 0.18 C ATOM 147 C6 DT A 5 2.652 -7.097 1.228 1.00 0.13 C ATOM 0 H5' DT A 5 4.076 -5.902 -1.739 1.00 0.21 H new ATOM 0 H5'' DT A 5 4.081 -4.162 -1.943 1.00 0.21 H new ATOM 0 H4' DT A 5 5.695 -3.870 -0.213 1.00 0.19 H new ATOM 0 H3' DT A 5 6.400 -6.654 -0.578 1.00 0.22 H new ATOM 0 H2' DT A 5 5.505 -7.534 1.388 1.00 0.32 H new ATOM 0 H2'' DT A 5 6.502 -6.403 2.281 1.00 0.32 H new ATOM 0 H1' DT A 5 4.775 -5.026 2.692 1.00 0.22 H new ATOM 0 H3 DT A 5 1.537 -7.441 4.753 1.00 0.18 H new ATOM 0 H71 DT A 5 0.168 -9.208 0.649 1.00 0.18 H new ATOM 0 H72 DT A 5 0.049 -7.553 0.005 1.00 0.18 H new ATOM 0 H73 DT A 5 1.393 -8.606 -0.494 1.00 0.18 H new ATOM 0 H6 DT A 5 2.984 -6.995 0.205 1.00 0.13 H new ATOM 160 P DG A 6 8.879 -6.063 0.517 1.00 0.29 P ATOM 161 OP1 DG A 6 8.764 -7.270 -0.333 1.00 0.42 O ATOM 162 OP2 DG A 6 9.218 -6.206 1.952 1.00 0.43 O ATOM 163 O5' DG A 6 9.953 -5.069 -0.161 1.00 0.21 O ATOM 164 C5' DG A 6 9.855 -4.724 -1.549 1.00 0.21 C ATOM 165 C4' DG A 6 9.555 -3.255 -1.752 1.00 0.15 C ATOM 166 O4' DG A 6 8.199 -3.101 -2.122 1.00 0.17 O ATOM 167 C3' DG A 6 9.768 -2.389 -0.518 1.00 0.15 C ATOM 168 O3' DG A 6 11.003 -1.659 -0.645 1.00 0.15 O ATOM 169 C2' DG A 6 8.576 -1.436 -0.528 1.00 0.17 C ATOM 170 C1' DG A 6 7.876 -1.762 -1.842 1.00 0.13 C ATOM 171 N9 DG A 6 6.415 -1.644 -1.854 1.00 0.12 N ATOM 172 C8 DG A 6 5.610 -1.675 -2.937 1.00 0.14 C ATOM 173 N7 DG A 6 4.345 -1.540 -2.694 1.00 0.14 N ATOM 174 C5 DG A 6 4.304 -1.404 -1.314 1.00 0.12 C ATOM 175 C6 DG A 6 3.192 -1.221 -0.467 1.00 0.12 C ATOM 176 O6 DG A 6 2.015 -1.148 -0.786 1.00 0.14 O ATOM 177 N1 DG A 6 3.571 -1.123 0.862 1.00 0.12 N ATOM 178 C2 DG A 6 4.877 -1.196 1.310 1.00 0.13 C ATOM 179 N2 DG A 6 5.075 -1.072 2.612 1.00 0.14 N ATOM 180 N3 DG A 6 5.921 -1.370 0.513 1.00 0.13 N ATOM 181 C4 DG A 6 5.567 -1.466 -0.784 1.00 0.12 C ATOM 0 H5' DG A 6 9.072 -5.321 -2.016 1.00 0.21 H new ATOM 0 H5'' DG A 6 10.789 -4.975 -2.051 1.00 0.21 H new ATOM 0 H4' DG A 6 10.254 -2.925 -2.521 1.00 0.15 H new ATOM 0 H3' DG A 6 9.833 -2.963 0.406 1.00 0.15 H new ATOM 0 H2' DG A 6 7.922 -1.602 0.328 1.00 0.17 H new ATOM 0 H2'' DG A 6 8.894 -0.394 -0.489 1.00 0.17 H new ATOM 0 H1' DG A 6 8.219 -1.028 -2.572 1.00 0.13 H new ATOM 0 H8 DG A 6 5.995 -1.804 -3.938 1.00 0.14 H new ATOM 0 H1 DG A 6 2.837 -0.988 1.557 1.00 0.12 H new ATOM 0 H21 DG A 6 6.021 -1.119 2.991 1.00 0.14 H new ATOM 0 H22 DG A 6 4.282 -0.929 3.237 1.00 0.14 H new ATOM 193 P DG A 7 11.320 -0.736 -1.935 1.00 0.17 P ATOM 194 OP1 DG A 7 10.726 -1.367 -3.134 1.00 0.29 O ATOM 195 OP2 DG A 7 12.764 -0.402 -1.923 1.00 0.30 O ATOM 196 O5' DG A 7 10.499 0.601 -1.607 1.00 0.24 O ATOM 197 C5' DG A 7 10.342 1.617 -2.589 1.00 0.25 C ATOM 198 C4' DG A 7 9.506 1.142 -3.778 1.00 0.19 C ATOM 199 O4' DG A 7 8.298 0.497 -3.320 1.00 0.17 O ATOM 200 C3' DG A 7 9.038 2.282 -4.656 1.00 0.18 C ATOM 201 O3' DG A 7 8.647 1.753 -5.930 1.00 0.22 O ATOM 202 C2' DG A 7 7.830 2.733 -3.867 1.00 0.16 C ATOM 203 C1' DG A 7 7.199 1.387 -3.588 1.00 0.15 C ATOM 204 N9 DG A 7 6.301 1.383 -2.441 1.00 0.13 N ATOM 205 C8 DG A 7 6.594 1.416 -1.116 1.00 0.13 C ATOM 206 N7 DG A 7 5.574 1.545 -0.332 1.00 0.12 N ATOM 207 C5 DG A 7 4.507 1.590 -1.224 1.00 0.12 C ATOM 208 C6 DG A 7 3.132 1.723 -0.967 1.00 0.12 C ATOM 209 O6 DG A 7 2.598 1.879 0.118 1.00 0.13 O ATOM 210 N1 DG A 7 2.386 1.713 -2.142 1.00 0.12 N ATOM 211 C2 DG A 7 2.917 1.600 -3.409 1.00 0.13 C ATOM 212 N2 DG A 7 2.061 1.614 -4.426 1.00 0.16 N ATOM 213 N3 DG A 7 4.218 1.480 -3.647 1.00 0.13 N ATOM 214 C4 DG A 7 4.946 1.484 -2.512 1.00 0.12 C ATOM 0 H5' DG A 7 11.323 1.936 -2.940 1.00 0.25 H new ATOM 0 H5'' DG A 7 9.867 2.488 -2.137 1.00 0.25 H new ATOM 0 H4' DG A 7 10.158 0.471 -4.337 1.00 0.19 H new ATOM 0 H3' DG A 7 9.765 3.068 -4.860 1.00 0.18 H new ATOM 0 H2' DG A 7 8.100 3.266 -2.956 1.00 0.16 H new ATOM 0 H2'' DG A 7 7.177 3.391 -4.440 1.00 0.16 H new ATOM 0 H1' DG A 7 6.588 1.096 -4.442 1.00 0.15 H new ATOM 0 H8 DG A 7 7.605 1.340 -0.744 1.00 0.13 H new ATOM 0 H1 DG A 7 1.373 1.795 -2.060 1.00 0.12 H new ATOM 0 H21 DG A 7 2.405 1.533 -5.383 1.00 0.16 H new ATOM 0 H22 DG A 7 1.061 1.705 -4.249 1.00 0.16 H new ATOM 226 P DT A 8 8.342 2.717 -7.172 1.00 0.21 P ATOM 227 OP1 DT A 8 8.397 1.911 -8.409 1.00 0.30 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1.00 0.19 H new ATOM 0 H4' DT A 8 4.355 4.181 -7.075 1.00 0.14 H new ATOM 0 H3' DT A 8 5.332 6.851 -6.777 1.00 0.14 H new ATOM 0 H2' DT A 8 5.203 6.896 -4.388 1.00 0.14 H new ATOM 0 H2'' DT A 8 3.489 7.077 -4.704 1.00 0.14 H new ATOM 0 H1' DT A 8 3.044 4.771 -4.457 1.00 0.14 H new ATOM 0 H3 DT A 8 2.989 4.395 -0.029 1.00 0.24 H new ATOM 0 H71 DT A 8 7.603 5.188 0.149 1.00 0.28 H new ATOM 0 H72 DT A 8 7.912 3.795 -0.914 1.00 0.28 H new ATOM 0 H73 DT A 8 8.036 5.450 -1.557 1.00 0.28 H new ATOM 0 H6 DT A 8 6.471 5.057 -3.266 1.00 0.19 H new ATOM 258 P DT A 9 1.988 5.625 -6.714 1.00 0.16 P ATOM 259 OP1 DT A 9 2.229 4.164 -6.755 1.00 0.22 O ATOM 260 OP2 DT A 9 0.925 6.215 -7.559 1.00 0.22 O ATOM 261 O5' DT A 9 1.712 6.065 -5.174 1.00 0.16 O ATOM 262 C5' DT A 9 0.755 7.091 -4.831 1.00 0.15 C ATOM 263 C4' DT A 9 1.105 7.820 -3.541 1.00 0.15 C ATOM 264 O4' DT A 9 2.324 7.330 -2.971 1.00 0.17 O ATOM 265 C3' DT A 9 1.290 9.321 -3.747 1.00 0.15 C ATOM 266 O3' DT A 9 0.171 10.029 -3.200 1.00 0.20 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ATOM 494 C1' DT A 16 -2.188 -3.983 7.626 1.00 0.14 C ATOM 495 N1 DT A 16 -3.505 -3.930 6.985 1.00 0.17 N ATOM 496 C2 DT A 16 -3.862 -4.996 6.199 1.00 0.17 C ATOM 497 O2 DT A 16 -3.277 -6.054 6.253 1.00 0.18 O ATOM 498 N3 DT A 16 -5.028 -4.878 5.509 1.00 0.18 N ATOM 499 C4 DT A 16 -5.906 -3.814 5.572 1.00 0.20 C ATOM 500 O4 DT A 16 -6.951 -3.828 4.933 1.00 0.25 O ATOM 501 C5 DT A 16 -5.469 -2.752 6.459 1.00 0.20 C ATOM 502 C7 DT A 16 -6.373 -1.548 6.718 1.00 0.26 C ATOM 503 C6 DT A 16 -4.296 -2.846 7.110 1.00 0.19 C ATOM 0 H5' DT A 16 0.868 -6.695 6.242 1.00 0.14 H new ATOM 0 H5'' DT A 16 -0.117 -7.649 7.333 1.00 0.14 H new ATOM 0 H4' DT A 16 0.517 -5.074 7.686 1.00 0.13 H new ATOM 0 H3' DT A 16 -1.538 -6.805 8.871 1.00 0.14 H new ATOM 0 H2' DT A 16 -3.219 -5.187 9.100 1.00 0.16 H new ATOM 0 H2'' DT A 16 -2.062 -4.063 9.785 1.00 0.16 H new ATOM 0 H1' DT A 16 -1.845 -2.969 7.833 1.00 0.14 H new ATOM 0 H3 DT A 16 -5.277 -5.647 4.887 1.00 0.18 H new ATOM 0 H71 DT A 16 -6.185 -1.161 7.719 1.00 0.26 H new ATOM 0 H72 DT A 16 -6.163 -0.771 5.983 1.00 0.26 H new ATOM 0 H73 DT A 16 -7.416 -1.852 6.637 1.00 0.26 H new ATOM 0 H6 DT A 16 -3.980 -2.034 7.748 1.00 0.19 H new ATOM 516 P DG A 17 0.739 -4.324 10.041 1.00 0.20 P ATOM 517 OP1 DG A 17 1.955 -4.550 9.226 1.00 0.30 O ATOM 518 OP2 DG A 17 0.868 -4.002 11.482 1.00 0.34 O ATOM 519 O5' DG A 17 -0.128 -3.152 9.340 1.00 0.19 O ATOM 520 C5' DG A 17 0.523 -2.071 8.665 1.00 0.17 C ATOM 521 C4' DG A 17 1.374 -1.249 9.619 1.00 0.15 C ATOM 522 O4' DG A 17 2.662 -1.192 9.076 1.00 0.15 O ATOM 523 C3' DG A 17 0.935 0.197 9.841 1.00 0.18 C ATOM 524 O3' DG A 17 1.391 0.673 11.121 1.00 0.23 O ATOM 525 C2' DG A 17 1.654 0.956 8.749 1.00 0.16 C ATOM 526 C1' DG A 17 2.722 -0.035 8.270 1.00 0.13 C ATOM 527 N9 DG A 17 2.602 -0.422 6.865 1.00 0.14 N ATOM 528 C8 DG A 17 3.616 -0.667 6.023 1.00 0.13 C ATOM 529 N7 DG A 17 3.306 -0.768 4.780 1.00 0.13 N ATOM 530 C5 DG A 17 1.937 -0.597 4.788 1.00 0.13 C ATOM 531 C6 DG A 17 1.041 -0.615 3.711 1.00 0.12 C ATOM 532 O6 DG A 17 1.307 -0.730 2.519 1.00 0.13 O ATOM 533 N1 DG A 17 -0.267 -0.431 4.132 1.00 0.12 N ATOM 534 C2 DG A 17 -0.652 -0.243 5.458 1.00 0.12 C ATOM 535 N2 DG A 17 -1.956 -0.138 5.718 1.00 0.14 N ATOM 536 N3 DG A 17 0.209 -0.207 6.473 1.00 0.12 N ATOM 537 C4 DG A 17 1.482 -0.394 6.067 1.00 0.13 C ATOM 0 H5' DG A 17 -0.224 -1.430 8.198 1.00 0.17 H new ATOM 0 H5'' DG A 17 1.149 -2.465 7.865 1.00 0.17 H new ATOM 0 H4' DG A 17 1.292 -1.745 10.586 1.00 0.15 H new ATOM 0 H3' DG A 17 -0.149 0.311 9.820 1.00 0.18 H new ATOM 0 H2' DG A 17 0.977 1.237 7.943 1.00 0.16 H new ATOM 0 H2'' DG A 17 2.100 1.876 9.126 1.00 0.16 H new ATOM 0 H1' DG A 17 3.680 0.477 8.360 1.00 0.13 H new ATOM 0 H8 DG A 17 4.634 -0.773 6.369 1.00 0.13 H new ATOM 0 H1 DG A 17 -0.999 -0.433 3.421 1.00 0.12 H new ATOM 0 H21 DG A 17 -2.275 0.000 6.677 1.00 0.14 H new ATOM 0 H22 DG A 17 -2.634 -0.196 4.958 1.00 0.14 H new ATOM 549 P DG A 18 2.887 0.391 11.679 1.00 0.26 P ATOM 550 OP1 DG A 18 3.072 -1.072 11.803 1.00 0.33 O ATOM 551 OP2 DG A 18 3.094 1.252 12.865 1.00 0.39 O ATOM 552 O5' DG A 18 3.867 0.928 10.507 1.00 0.22 O ATOM 553 C5' DG A 18 5.200 0.404 10.383 1.00 0.26 C ATOM 554 C4' DG A 18 6.052 1.202 9.393 1.00 0.25 C ATOM 555 O4' DG A 18 5.548 1.025 8.054 1.00 0.22 O ATOM 556 C3' DG A 18 6.087 2.711 9.674 1.00 0.27 C ATOM 557 O3' DG A 18 7.427 3.215 9.648 1.00 0.35 O ATOM 558 C2' DG A 18 5.254 3.290 8.541 1.00 0.22 C ATOM 559 C1' DG A 18 5.522 2.303 7.422 1.00 0.18 C ATOM 560 N9 DG A 18 4.478 2.292 6.384 1.00 0.14 N ATOM 561 C8 DG A 18 3.137 2.450 6.547 1.00 0.14 C ATOM 562 N7 DG A 18 2.449 2.429 5.461 1.00 0.13 N ATOM 563 C5 DG A 18 3.396 2.237 4.471 1.00 0.12 C ATOM 564 C6 DG A 18 3.213 2.130 3.071 1.00 0.13 C ATOM 565 O6 DG A 18 2.159 2.198 2.449 1.00 0.16 O ATOM 566 N1 DG A 18 4.419 1.936 2.408 1.00 0.12 N ATOM 567 C2 DG A 18 5.651 1.859 3.036 1.00 0.13 C ATOM 568 N2 DG A 18 6.700 1.671 2.244 1.00 0.15 N ATOM 569 N3 DG A 18 5.824 1.962 4.363 1.00 0.14 N ATOM 570 C4 DG A 18 4.653 2.150 5.018 1.00 0.13 C ATOM 0 H5' DG A 18 5.150 -0.636 10.059 1.00 0.26 H new ATOM 0 H5'' DG A 18 5.682 0.410 11.361 1.00 0.26 H new ATOM 0 H4' DG A 18 7.064 0.814 9.506 1.00 0.25 H new ATOM 0 H3' DG A 18 5.706 2.972 10.661 1.00 0.27 H new ATOM 0 H2' DG A 18 4.196 3.341 8.796 1.00 0.22 H new ATOM 0 H2'' DG A 18 5.567 4.300 8.278 1.00 0.22 H new ATOM 0 HO3' DG A 18 7.418 4.178 9.828 1.00 0.35 H new ATOM 0 H1' DG A 18 6.448 2.573 6.914 1.00 0.18 H new ATOM 0 H8 DG A 18 2.683 2.583 7.518 1.00 0.14 H new ATOM 0 H1 DG A 18 4.395 1.844 1.392 1.00 0.12 H new ATOM 0 H21 DG A 18 7.636 1.605 2.644 1.00 0.15 H new ATOM 0 H22 DG A 18 6.570 1.592 1.235 1.00 0.15 H new TER 582 DG A 18