USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 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 -136:sc= 0.354 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.144 (180deg=-1.05) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.278 (180deg=-0.278) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc=-0.00049 (180deg=-0.413) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.296 2.590 -11.724 1.00 0.28 O ATOM 2 C5' DG A 1 9.270 2.476 -13.161 1.00 0.33 C ATOM 3 C4' DG A 1 9.450 1.026 -13.671 1.00 0.29 C ATOM 4 O4' DG A 1 10.703 0.471 -13.207 1.00 0.26 O ATOM 5 C3' DG A 1 8.353 0.092 -13.144 1.00 0.22 C ATOM 6 O3' DG A 1 8.068 -0.978 -14.030 1.00 0.19 O ATOM 7 C2' DG A 1 9.162 -0.415 -11.964 1.00 0.20 C ATOM 8 C1' DG A 1 10.478 -0.785 -12.581 1.00 0.18 C ATOM 9 N9 DG A 1 11.553 -1.214 -11.637 1.00 0.19 N ATOM 10 C8 DG A 1 12.899 -1.275 -11.847 1.00 0.26 C ATOM 11 N7 DG A 1 13.574 -1.662 -10.808 1.00 0.27 N ATOM 12 C5 DG A 1 12.607 -1.877 -9.835 1.00 0.20 C ATOM 13 C6 DG A 1 12.740 -2.308 -8.483 1.00 0.19 C ATOM 14 O6 DG A 1 13.765 -2.567 -7.850 1.00 0.23 O ATOM 15 N1 DG A 1 11.500 -2.386 -7.880 1.00 0.16 N ATOM 16 C2 DG A 1 10.306 -2.094 -8.487 1.00 0.14 C ATOM 17 N2 DG A 1 9.176 -2.222 -7.823 1.00 0.19 N ATOM 18 N3 DG A 1 10.187 -1.690 -9.734 1.00 0.13 N ATOM 19 C4 DG A 1 11.372 -1.606 -10.345 1.00 0.16 C ATOM 0 H5' DG A 1 10.059 3.100 -13.581 1.00 0.33 H new ATOM 0 H5'' DG A 1 8.322 2.867 -13.531 1.00 0.33 H new ATOM 0 H4' DG A 1 9.412 1.087 -14.759 1.00 0.29 H new ATOM 0 H3' DG A 1 7.375 0.540 -12.966 1.00 0.22 H new ATOM 0 H2' DG A 1 9.278 0.351 -11.197 1.00 0.20 H new ATOM 0 H2'' DG A 1 8.686 -1.272 -11.488 1.00 0.20 H new ATOM 0 HO5' DG A 1 8.576 3.187 -11.430 1.00 0.28 H new ATOM 0 H1' DG A 1 10.477 -1.672 -13.215 1.00 0.18 H new ATOM 0 H8 DG A 1 13.361 -1.024 -12.791 1.00 0.26 H new ATOM 0 H1 DG A 1 11.470 -2.685 -6.905 1.00 0.16 H new ATOM 0 H21 DG A 1 8.290 -2.004 -8.278 1.00 0.19 H new ATOM 0 H22 DG A 1 9.187 -2.539 -6.854 1.00 0.19 H new ATOM 32 P DG A 2 7.093 -2.189 -13.665 1.00 0.18 P ATOM 33 OP1 DG A 2 6.303 -2.561 -14.869 1.00 0.21 O ATOM 34 OP2 DG A 2 6.413 -1.942 -12.373 1.00 0.23 O ATOM 35 O5' DG A 2 8.169 -3.382 -13.423 1.00 0.20 O ATOM 36 C5' DG A 2 9.068 -3.846 -14.445 1.00 0.19 C ATOM 37 C4' DG A 2 9.862 -5.050 -13.959 1.00 0.20 C ATOM 38 O4' DG A 2 10.595 -4.723 -12.741 1.00 0.19 O ATOM 39 C3' DG A 2 8.973 -6.305 -13.595 1.00 0.19 C ATOM 40 O3' DG A 2 9.548 -7.619 -13.856 1.00 0.30 O ATOM 41 C2' DG A 2 8.874 -6.006 -12.137 1.00 0.20 C ATOM 42 C1' DG A 2 10.295 -5.704 -11.732 1.00 0.19 C ATOM 43 N9 DG A 2 10.552 -5.485 -10.281 1.00 0.17 N ATOM 44 C8 DG A 2 9.662 -5.217 -9.253 1.00 0.19 C ATOM 45 N7 DG A 2 10.225 -5.148 -8.088 1.00 0.20 N ATOM 46 C5 DG A 2 11.567 -5.382 -8.337 1.00 0.15 C ATOM 47 C6 DG A 2 12.636 -5.426 -7.428 1.00 0.16 C ATOM 48 O6 DG A 2 12.553 -5.286 -6.215 1.00 0.17 O ATOM 49 N1 DG A 2 13.835 -5.683 -8.068 1.00 0.17 N ATOM 50 C2 DG A 2 13.978 -5.879 -9.423 1.00 0.15 C ATOM 51 N2 DG A 2 15.189 -6.121 -9.909 1.00 0.15 N ATOM 52 N3 DG A 2 12.974 -5.844 -10.293 1.00 0.14 N ATOM 53 C4 DG A 2 11.791 -5.586 -9.672 1.00 0.13 C ATOM 0 H5' DG A 2 9.750 -3.044 -14.727 1.00 0.19 H new ATOM 0 H5'' DG A 2 8.504 -4.113 -15.338 1.00 0.19 H new ATOM 0 H4' DG A 2 10.515 -5.298 -14.796 1.00 0.20 H new ATOM 0 H3' DG A 2 8.058 -6.401 -14.179 1.00 0.19 H new ATOM 0 H2' DG A 2 8.216 -5.158 -11.947 1.00 0.20 H new ATOM 0 H2'' DG A 2 8.472 -6.853 -11.582 1.00 0.20 H new ATOM 0 H1' DG A 2 11.021 -6.517 -11.737 1.00 0.19 H new ATOM 0 H8 DG A 2 8.602 -5.079 -9.408 1.00 0.19 H new ATOM 0 H1 DG A 2 14.676 -5.731 -7.493 1.00 0.17 H new ATOM 0 H21 DG A 2 15.317 -6.269 -10.910 1.00 0.15 H new ATOM 0 H22 DG A 2 15.992 -6.159 -9.281 1.00 0.15 H new ATOM 65 P DT A 3 9.779 -8.936 -12.957 1.00 0.17 P ATOM 66 OP1 DT A 3 10.918 -8.717 -12.102 1.00 0.43 O ATOM 67 OP2 DT A 3 9.779 -10.062 -13.864 1.00 0.38 O ATOM 68 O5' DT A 3 8.470 -9.056 -12.022 1.00 0.20 O ATOM 69 C5' DT A 3 7.566 -10.147 -12.074 1.00 0.28 C ATOM 70 C4' DT A 3 6.126 -9.691 -12.400 1.00 0.25 C ATOM 71 O4' DT A 3 6.111 -8.889 -13.612 1.00 0.27 O ATOM 72 C3' DT A 3 5.418 -8.833 -11.318 1.00 0.22 C ATOM 73 O3' DT A 3 6.316 -8.023 -10.546 1.00 0.24 O ATOM 74 C2' DT A 3 4.672 -7.873 -12.307 1.00 0.24 C ATOM 75 C1' DT A 3 5.760 -7.518 -13.316 1.00 0.25 C ATOM 76 N1 DT A 3 5.443 -6.663 -14.488 1.00 0.27 N ATOM 77 C2 DT A 3 5.404 -5.302 -14.256 1.00 0.27 C ATOM 78 O2 DT A 3 5.575 -4.818 -13.151 1.00 0.33 O ATOM 79 N3 DT A 3 5.148 -4.499 -15.333 1.00 0.30 N ATOM 80 C4 DT A 3 4.926 -4.924 -16.617 1.00 0.35 C ATOM 81 O4 DT A 3 4.696 -4.064 -17.456 1.00 0.42 O ATOM 82 C5 DT A 3 4.978 -6.375 -16.792 1.00 0.39 C ATOM 83 C7 DT A 3 4.767 -7.019 -18.160 1.00 0.46 C ATOM 84 C6 DT A 3 5.231 -7.180 -15.740 1.00 0.35 C ATOM 0 H5' DT A 3 7.573 -10.669 -11.117 1.00 0.28 H new ATOM 0 H5'' DT A 3 7.900 -10.859 -12.828 1.00 0.28 H new ATOM 0 H4' DT A 3 5.585 -10.633 -12.486 1.00 0.25 H new ATOM 0 H3' DT A 3 4.856 -9.412 -10.585 1.00 0.22 H new ATOM 0 H2' DT A 3 3.823 -8.363 -12.783 1.00 0.24 H new ATOM 0 H2'' DT A 3 4.287 -6.989 -11.799 1.00 0.24 H new ATOM 0 H1' DT A 3 6.527 -6.839 -12.943 1.00 0.25 H new ATOM 0 H3 DT A 3 5.120 -3.493 -15.166 1.00 0.30 H new ATOM 0 H71 DT A 3 5.333 -7.949 -18.216 1.00 0.46 H new ATOM 0 H72 DT A 3 3.707 -7.231 -18.303 1.00 0.46 H new ATOM 0 H73 DT A 3 5.109 -6.338 -18.939 1.00 0.46 H new ATOM 0 H6 DT A 3 5.267 -8.249 -15.886 1.00 0.35 H new ATOM 97 P DT A 4 5.874 -7.131 -9.292 1.00 0.21 P ATOM 98 OP1 DT A 4 4.487 -6.689 -9.509 1.00 0.28 O ATOM 99 OP2 DT A 4 6.925 -6.125 -9.061 1.00 0.27 O ATOM 100 O5' DT A 4 5.886 -8.159 -8.053 1.00 0.24 O ATOM 101 C5' DT A 4 4.997 -9.281 -7.977 1.00 0.27 C ATOM 102 C4' DT A 4 5.130 -10.059 -6.694 1.00 0.22 C ATOM 103 O4' DT A 4 6.512 -10.498 -6.397 1.00 0.25 O ATOM 104 C3' DT A 4 4.731 -9.171 -5.512 1.00 0.23 C ATOM 105 O3' DT A 4 4.319 -10.079 -4.482 1.00 0.23 O ATOM 106 C2' DT A 4 6.164 -8.568 -5.258 1.00 0.23 C ATOM 107 C1' DT A 4 7.170 -9.758 -5.311 1.00 0.20 C ATOM 108 N1 DT A 4 8.585 -9.456 -5.672 1.00 0.17 N ATOM 109 C2 DT A 4 9.445 -9.316 -4.608 1.00 0.14 C ATOM 110 O2 DT A 4 9.091 -9.479 -3.452 1.00 0.21 O ATOM 111 N3 DT A 4 10.754 -9.013 -4.906 1.00 0.14 N ATOM 112 C4 DT A 4 11.292 -8.847 -6.144 1.00 0.16 C ATOM 113 O4 DT A 4 12.489 -8.575 -6.204 1.00 0.21 O ATOM 114 C5 DT A 4 10.341 -9.017 -7.231 1.00 0.22 C ATOM 115 C7 DT A 4 10.771 -8.925 -8.711 1.00 0.34 C ATOM 116 C6 DT A 4 9.046 -9.306 -6.974 1.00 0.24 C ATOM 0 H5' DT A 4 5.189 -9.946 -8.819 1.00 0.27 H new ATOM 0 H5'' DT A 4 3.970 -8.930 -8.076 1.00 0.27 H new ATOM 0 H4' DT A 4 4.491 -10.932 -6.826 1.00 0.22 H new ATOM 0 H3' DT A 4 3.940 -8.427 -5.609 1.00 0.23 H new ATOM 0 H2' DT A 4 6.409 -7.821 -6.013 1.00 0.23 H new ATOM 0 H2'' DT A 4 6.207 -8.068 -4.290 1.00 0.23 H new ATOM 0 H1' DT A 4 7.318 -10.232 -4.340 1.00 0.20 H new ATOM 0 H3 DT A 4 11.388 -8.901 -4.115 1.00 0.14 H new ATOM 0 H71 DT A 4 11.616 -8.243 -8.803 1.00 0.34 H new ATOM 0 H72 DT A 4 11.062 -9.913 -9.068 1.00 0.34 H new ATOM 0 H73 DT A 4 9.939 -8.554 -9.309 1.00 0.34 H new ATOM 0 H6 DT A 4 8.356 -9.423 -7.797 1.00 0.24 H new ATOM 129 P DG A 5 3.257 -9.715 -3.304 1.00 0.25 P ATOM 130 OP1 DG A 5 3.069 -10.942 -2.533 1.00 0.32 O ATOM 131 OP2 DG A 5 2.095 -9.055 -3.915 1.00 0.35 O ATOM 132 O5' DG A 5 3.961 -8.636 -2.379 1.00 0.31 O ATOM 133 C5' DG A 5 3.251 -7.827 -1.438 1.00 0.33 C ATOM 134 C4' DG A 5 3.769 -6.387 -1.443 1.00 0.26 C ATOM 135 O4' DG A 5 5.195 -6.329 -1.190 1.00 0.22 O ATOM 136 C3' DG A 5 3.513 -5.718 -2.827 1.00 0.23 C ATOM 137 O3' DG A 5 3.358 -4.311 -2.653 1.00 0.21 O ATOM 138 C2' DG A 5 4.929 -5.929 -3.409 1.00 0.21 C ATOM 139 C1' DG A 5 5.861 -5.514 -2.167 1.00 0.24 C ATOM 140 N9 DG A 5 7.247 -5.876 -2.376 1.00 0.19 N ATOM 141 C8 DG A 5 8.145 -6.426 -1.482 1.00 0.22 C ATOM 142 N7 DG A 5 9.326 -6.627 -1.994 1.00 0.20 N ATOM 143 C5 DG A 5 9.191 -6.175 -3.319 1.00 0.14 C ATOM 144 C6 DG A 5 10.142 -6.137 -4.388 1.00 0.13 C ATOM 145 O6 DG A 5 11.302 -6.554 -4.362 1.00 0.16 O ATOM 146 N1 DG A 5 9.584 -5.609 -5.520 1.00 0.13 N ATOM 147 C2 DG A 5 8.278 -5.177 -5.630 1.00 0.15 C ATOM 148 N2 DG A 5 7.848 -4.687 -6.767 1.00 0.20 N ATOM 149 N3 DG A 5 7.413 -5.222 -4.652 1.00 0.16 N ATOM 150 C4 DG A 5 7.924 -5.723 -3.535 1.00 0.15 C ATOM 0 H5' DG A 5 3.356 -8.250 -0.439 1.00 0.33 H new ATOM 0 H5'' DG A 5 2.188 -7.834 -1.678 1.00 0.33 H new ATOM 0 H4' DG A 5 3.233 -5.862 -0.652 1.00 0.26 H new ATOM 0 H3' DG A 5 2.655 -6.090 -3.387 1.00 0.23 H new ATOM 0 H2' DG A 5 5.095 -6.961 -3.717 1.00 0.21 H new ATOM 0 H2'' DG A 5 5.109 -5.303 -4.283 1.00 0.21 H new ATOM 0 H1' DG A 5 5.946 -4.453 -1.933 1.00 0.24 H new ATOM 0 H8 DG A 5 7.893 -6.666 -0.460 1.00 0.22 H new ATOM 0 H1 DG A 5 10.178 -5.529 -6.345 1.00 0.13 H new ATOM 0 H21 DG A 5 6.883 -4.367 -6.852 1.00 0.20 H new ATOM 0 H22 DG A 5 8.478 -4.626 -7.567 1.00 0.20 H new ATOM 162 P DG A 6 2.857 -3.312 -3.832 1.00 0.21 P ATOM 163 OP1 DG A 6 1.629 -3.831 -4.453 1.00 0.32 O ATOM 164 OP2 DG A 6 4.021 -3.025 -4.681 1.00 0.22 O ATOM 165 O5' DG A 6 2.484 -1.981 -3.022 1.00 0.23 O ATOM 166 C5' DG A 6 3.350 -1.069 -2.316 1.00 0.22 C ATOM 167 C4' DG A 6 4.453 -1.700 -1.464 1.00 0.18 C ATOM 168 O4' DG A 6 5.390 -2.418 -2.274 1.00 0.18 O ATOM 169 C3' DG A 6 5.250 -0.608 -0.690 1.00 0.19 C ATOM 170 O3' DG A 6 5.577 -1.024 0.638 1.00 0.31 O ATOM 171 C2' DG A 6 6.460 -0.571 -1.577 1.00 0.23 C ATOM 172 C1' DG A 6 6.705 -2.048 -1.975 1.00 0.18 C ATOM 173 N9 DG A 6 7.703 -2.202 -3.030 1.00 0.15 N ATOM 174 C8 DG A 6 7.493 -2.183 -4.420 1.00 0.18 C ATOM 175 N7 DG A 6 8.570 -2.381 -5.088 1.00 0.18 N ATOM 176 C5 DG A 6 9.554 -2.542 -4.111 1.00 0.15 C ATOM 177 C6 DG A 6 10.945 -2.783 -4.284 1.00 0.15 C ATOM 178 O6 DG A 6 11.582 -2.862 -5.343 1.00 0.16 O ATOM 179 N1 DG A 6 11.567 -2.874 -3.083 1.00 0.14 N ATOM 180 C2 DG A 6 10.977 -2.747 -1.858 1.00 0.18 C ATOM 181 N2 DG A 6 11.765 -2.834 -0.779 1.00 0.23 N ATOM 182 N3 DG A 6 9.679 -2.520 -1.705 1.00 0.17 N ATOM 183 C4 DG A 6 9.033 -2.427 -2.857 1.00 0.16 C ATOM 0 H5' DG A 6 2.734 -0.444 -1.669 1.00 0.22 H new ATOM 0 H5'' DG A 6 3.818 -0.408 -3.046 1.00 0.22 H new ATOM 0 H4' DG A 6 3.959 -2.379 -0.769 1.00 0.18 H new ATOM 0 H3' DG A 6 4.737 0.341 -0.534 1.00 0.19 H new ATOM 0 H2' DG A 6 6.288 0.052 -2.455 1.00 0.23 H new ATOM 0 H2'' DG A 6 7.321 -0.154 -1.054 1.00 0.23 H new ATOM 0 H1' DG A 6 7.163 -2.692 -1.225 1.00 0.18 H new ATOM 0 H8 DG A 6 6.528 -2.019 -4.877 1.00 0.18 H new ATOM 0 H1 DG A 6 12.571 -3.054 -3.095 1.00 0.14 H new ATOM 0 H21 DG A 6 11.363 -2.745 0.154 1.00 0.23 H new ATOM 0 H22 DG A 6 12.767 -2.990 -0.890 1.00 0.23 H new ATOM 195 P DT A 7 5.332 -0.112 1.908 1.00 0.21 P ATOM 196 OP1 DT A 7 4.306 -0.804 2.677 1.00 0.41 O ATOM 197 OP2 DT A 7 5.085 1.252 1.420 1.00 0.28 O ATOM 198 O5' DT A 7 6.718 -0.138 2.733 1.00 0.27 O ATOM 199 C5' DT A 7 7.340 -1.349 3.241 1.00 0.25 C ATOM 200 C4' DT A 7 8.815 -1.494 2.788 1.00 0.18 C ATOM 201 O4' DT A 7 9.339 -2.806 3.119 1.00 0.25 O ATOM 202 C3' DT A 7 8.958 -1.372 1.240 1.00 0.13 C ATOM 203 O3' DT A 7 10.288 -1.015 0.820 1.00 0.13 O ATOM 204 C2' DT A 7 8.779 -2.887 0.953 1.00 0.17 C ATOM 205 C1' DT A 7 9.754 -3.551 1.963 1.00 0.21 C ATOM 206 N1 DT A 7 9.583 -5.021 2.138 1.00 0.31 N ATOM 207 C2 DT A 7 10.285 -5.787 1.237 1.00 0.26 C ATOM 208 O2 DT A 7 10.984 -5.334 0.373 1.00 0.32 O ATOM 209 N3 DT A 7 10.179 -7.134 1.345 1.00 0.34 N ATOM 210 C4 DT A 7 9.434 -7.784 2.275 1.00 0.52 C ATOM 211 O4 DT A 7 9.399 -9.007 2.250 1.00 0.60 O ATOM 212 C5 DT A 7 8.720 -6.916 3.189 1.00 0.64 C ATOM 213 C7 DT A 7 7.848 -7.535 4.264 1.00 0.92 C ATOM 214 C6 DT A 7 8.810 -5.585 3.104 1.00 0.54 C ATOM 0 H5' DT A 7 6.772 -2.215 2.901 1.00 0.25 H new ATOM 0 H5'' DT A 7 7.296 -1.347 4.330 1.00 0.25 H new ATOM 0 H4' DT A 7 9.357 -0.699 3.301 1.00 0.18 H new ATOM 0 H3' DT A 7 8.305 -0.637 0.770 1.00 0.13 H new ATOM 0 H2' DT A 7 7.750 -3.209 1.113 1.00 0.17 H new ATOM 0 H2'' DT A 7 9.034 -3.136 -0.077 1.00 0.17 H new ATOM 0 H1' DT A 7 10.807 -3.510 1.685 1.00 0.21 H new ATOM 0 H3 DT A 7 10.699 -7.703 0.676 1.00 0.34 H new ATOM 0 H71 DT A 7 7.823 -6.879 5.134 1.00 0.92 H new ATOM 0 H72 DT A 7 6.836 -7.668 3.880 1.00 0.92 H new ATOM 0 H73 DT A 7 8.257 -8.504 4.551 1.00 0.92 H new ATOM 0 H6 DT A 7 8.271 -4.960 3.800 1.00 0.54 H new ATOM 227 P DG A 8 11.090 0.328 1.107 1.00 0.14 P ATOM 228 OP1 DG A 8 12.420 0.076 0.538 1.00 0.22 O ATOM 229 OP2 DG A 8 10.952 0.641 2.537 1.00 0.30 O ATOM 230 O5' DG A 8 10.358 1.468 0.204 1.00 0.19 O ATOM 231 C5' DG A 8 11.118 2.544 -0.457 1.00 0.15 C ATOM 232 C4' DG A 8 11.592 2.098 -1.862 1.00 0.15 C ATOM 233 O4' DG A 8 10.565 2.097 -2.900 1.00 0.19 O ATOM 234 C3' DG A 8 12.823 2.849 -2.540 1.00 0.15 C ATOM 235 O3' DG A 8 13.115 4.168 -2.013 1.00 0.17 O ATOM 236 C2' DG A 8 12.374 2.919 -4.033 1.00 0.19 C ATOM 237 C1' DG A 8 11.060 2.075 -4.284 1.00 0.21 C ATOM 238 N9 DG A 8 10.137 2.676 -5.248 1.00 0.21 N ATOM 239 C8 DG A 8 9.041 3.460 -5.008 1.00 0.23 C ATOM 240 N7 DG A 8 8.408 3.809 -6.078 1.00 0.26 N ATOM 241 C5 DG A 8 9.124 3.225 -7.104 1.00 0.23 C ATOM 242 C6 DG A 8 8.898 3.265 -8.505 1.00 0.24 C ATOM 243 O6 DG A 8 8.027 3.832 -9.149 1.00 0.29 O ATOM 244 N1 DG A 8 9.826 2.558 -9.205 1.00 0.24 N ATOM 245 C2 DG A 8 10.862 1.882 -8.666 1.00 0.26 C ATOM 246 N2 DG A 8 11.582 1.258 -9.580 1.00 0.31 N ATOM 247 N3 DG A 8 11.113 1.823 -7.354 1.00 0.25 N ATOM 248 C4 DG A 8 10.194 2.524 -6.622 1.00 0.21 C ATOM 0 H5' DG A 8 11.979 2.815 0.153 1.00 0.15 H new ATOM 0 H5'' DG A 8 10.496 3.435 -0.544 1.00 0.15 H new ATOM 0 H4' DG A 8 11.904 1.098 -1.560 1.00 0.15 H new ATOM 0 H3' DG A 8 13.760 2.322 -2.357 1.00 0.15 H new ATOM 0 H2' DG A 8 12.199 3.958 -4.313 1.00 0.19 H new ATOM 0 H2'' DG A 8 13.174 2.547 -4.672 1.00 0.19 H new ATOM 0 H1' DG A 8 11.200 1.093 -4.736 1.00 0.21 H new ATOM 0 H8 DG A 8 8.734 3.759 -4.016 1.00 0.23 H new ATOM 0 H1 DG A 8 9.731 2.537 -10.220 1.00 0.24 H new ATOM 0 H21 DG A 8 12.396 0.710 -9.301 1.00 0.31 H new ATOM 0 H22 DG A 8 11.324 1.324 -10.565 1.00 0.31 H new ATOM 260 P DT A 9 14.150 4.457 -0.784 1.00 0.21 P ATOM 261 OP1 DT A 9 13.794 3.652 0.381 1.00 0.35 O ATOM 262 OP2 DT A 9 14.311 5.907 -0.609 1.00 0.32 O ATOM 263 O5' DT A 9 15.606 3.906 -1.310 1.00 0.22 O ATOM 264 C5' DT A 9 16.783 4.035 -0.467 1.00 0.21 C ATOM 265 C4' DT A 9 17.981 3.135 -0.859 1.00 0.17 C ATOM 266 O4' DT A 9 17.507 1.784 -0.889 1.00 0.16 O ATOM 267 C3' DT A 9 18.628 3.382 -2.242 1.00 0.16 C ATOM 268 O3' DT A 9 20.014 2.948 -2.353 1.00 0.14 O ATOM 269 C2' DT A 9 17.662 2.526 -3.063 1.00 0.15 C ATOM 270 C1' DT A 9 17.337 1.244 -2.235 1.00 0.11 C ATOM 271 N1 DT A 9 15.951 0.684 -2.509 1.00 0.10 N ATOM 272 C2 DT A 9 15.063 0.548 -1.417 1.00 0.12 C ATOM 273 O2 DT A 9 15.337 0.760 -0.239 1.00 0.16 O ATOM 274 N3 DT A 9 13.799 0.108 -1.669 1.00 0.13 N ATOM 275 C4 DT A 9 13.303 -0.221 -2.904 1.00 0.12 C ATOM 276 O4 DT A 9 12.144 -0.573 -3.042 1.00 0.17 O ATOM 277 C5 DT A 9 14.257 -0.071 -3.990 1.00 0.08 C ATOM 278 C7 DT A 9 13.817 -0.404 -5.408 1.00 0.10 C ATOM 279 C6 DT A 9 15.513 0.356 -3.790 1.00 0.09 C ATOM 0 H5' DT A 9 16.500 3.807 0.561 1.00 0.21 H new ATOM 0 H5'' DT A 9 17.110 5.075 -0.485 1.00 0.21 H new ATOM 0 H4' DT A 9 18.748 3.362 -0.119 1.00 0.17 H new ATOM 0 H3' DT A 9 18.729 4.428 -2.531 1.00 0.16 H new ATOM 0 H2' DT A 9 16.750 3.082 -3.280 1.00 0.15 H new ATOM 0 H2'' DT A 9 18.108 2.259 -4.021 1.00 0.15 H new ATOM 0 H1' DT A 9 17.957 0.375 -2.458 1.00 0.11 H new ATOM 0 H3 DT A 9 13.169 0.016 -0.872 1.00 0.13 H new ATOM 0 H71 DT A 9 14.369 0.215 -6.115 1.00 0.10 H new ATOM 0 H72 DT A 9 14.017 -1.456 -5.613 1.00 0.10 H new ATOM 0 H73 DT A 9 12.749 -0.210 -5.513 1.00 0.10 H new ATOM 0 H6 DT A 9 16.189 0.446 -4.628 1.00 0.09 H new ATOM 292 P DG A 10 20.702 1.474 -2.203 1.00 0.15 P ATOM 293 OP1 DG A 10 22.143 1.657 -2.435 1.00 0.23 O ATOM 294 OP2 DG A 10 19.985 0.457 -2.992 1.00 0.21 O ATOM 295 O5' DG A 10 20.515 1.116 -0.632 1.00 0.24 O ATOM 296 C5' DG A 10 20.748 -0.198 -0.090 1.00 0.23 C ATOM 297 C4' DG A 10 19.948 -0.583 1.186 1.00 0.17 C ATOM 298 O4' DG A 10 18.518 -0.469 0.938 1.00 0.17 O ATOM 299 C3' DG A 10 20.256 -2.048 1.529 1.00 0.15 C ATOM 300 O3' DG A 10 20.347 -2.531 2.889 1.00 0.17 O ATOM 301 C2' DG A 10 18.904 -2.627 0.993 1.00 0.16 C ATOM 302 C1' DG A 10 17.795 -1.647 1.385 1.00 0.15 C ATOM 303 N9 DG A 10 16.588 -1.977 0.579 1.00 0.13 N ATOM 304 C8 DG A 10 15.295 -2.305 0.937 1.00 0.14 C ATOM 305 N7 DG A 10 14.515 -2.623 -0.077 1.00 0.15 N ATOM 306 C5 DG A 10 15.372 -2.492 -1.177 1.00 0.13 C ATOM 307 C6 DG A 10 15.137 -2.697 -2.557 1.00 0.16 C ATOM 308 O6 DG A 10 14.114 -3.046 -3.123 1.00 0.19 O ATOM 309 N1 DG A 10 16.254 -2.457 -3.302 1.00 0.15 N ATOM 310 C2 DG A 10 17.463 -2.064 -2.810 1.00 0.15 C ATOM 311 N2 DG A 10 18.454 -1.822 -3.641 1.00 0.19 N ATOM 312 N3 DG A 10 17.697 -1.864 -1.532 1.00 0.16 N ATOM 313 C4 DG A 10 16.618 -2.097 -0.774 1.00 0.14 C ATOM 0 H5' DG A 10 21.811 -0.289 0.135 1.00 0.23 H new ATOM 0 H5'' DG A 10 20.523 -0.930 -0.866 1.00 0.23 H new ATOM 0 H4' DG A 10 20.231 0.083 2.001 1.00 0.17 H new ATOM 0 H3' DG A 10 21.250 -2.296 1.157 1.00 0.15 H new ATOM 0 H2' DG A 10 18.942 -2.750 -0.089 1.00 0.16 H new ATOM 0 H2'' DG A 10 18.713 -3.612 1.419 1.00 0.16 H new ATOM 0 H1' DG A 10 17.415 -1.600 2.406 1.00 0.15 H new ATOM 0 H8 DG A 10 14.952 -2.301 1.961 1.00 0.14 H new ATOM 0 H1 DG A 10 16.178 -2.582 -4.311 1.00 0.15 H new ATOM 0 H21 DG A 10 19.362 -1.528 -3.280 1.00 0.19 H new ATOM 0 H22 DG A 10 18.315 -1.929 -4.646 1.00 0.19 H new ATOM 325 P DG A 11 20.707 -4.139 3.103 1.00 0.13 P ATOM 326 OP1 DG A 11 21.198 -4.362 4.486 1.00 0.16 O ATOM 327 OP2 DG A 11 21.532 -4.582 1.961 1.00 0.19 O ATOM 328 O5' DG A 11 19.306 -4.850 3.017 1.00 0.14 O ATOM 329 C5' DG A 11 18.180 -4.411 3.787 1.00 0.16 C ATOM 330 C4' DG A 11 16.879 -4.968 3.218 1.00 0.16 C ATOM 331 O4' DG A 11 16.826 -4.600 1.829 1.00 0.17 O ATOM 332 C3' DG A 11 16.849 -6.507 3.295 1.00 0.22 C ATOM 333 O3' DG A 11 15.727 -7.054 3.908 1.00 0.28 O ATOM 334 C2' DG A 11 16.834 -6.801 1.819 1.00 0.24 C ATOM 335 C1' DG A 11 16.190 -5.653 1.120 1.00 0.18 C ATOM 336 N9 DG A 11 16.399 -5.611 -0.349 1.00 0.16 N ATOM 337 C8 DG A 11 17.567 -5.501 -1.122 1.00 0.19 C ATOM 338 N7 DG A 11 17.338 -5.520 -2.410 1.00 0.22 N ATOM 339 C5 DG A 11 15.941 -5.645 -2.491 1.00 0.18 C ATOM 340 C6 DG A 11 15.079 -5.716 -3.609 1.00 0.19 C ATOM 341 O6 DG A 11 15.380 -5.686 -4.778 1.00 0.25 O ATOM 342 N1 DG A 11 13.764 -5.830 -3.266 1.00 0.15 N ATOM 343 C2 DG A 11 13.318 -5.870 -1.977 1.00 0.12 C ATOM 344 N2 DG A 11 12.019 -5.943 -1.838 1.00 0.16 N ATOM 345 N3 DG A 11 14.102 -5.805 -0.904 1.00 0.14 N ATOM 346 C4 DG A 11 15.392 -5.693 -1.245 1.00 0.14 C ATOM 0 H5' DG A 11 18.142 -3.322 3.793 1.00 0.16 H new ATOM 0 H5'' DG A 11 18.295 -4.732 4.822 1.00 0.16 H new ATOM 0 H4' DG A 11 16.040 -4.571 3.790 1.00 0.16 H new ATOM 0 H3' DG A 11 17.659 -6.923 3.894 1.00 0.22 H new ATOM 0 H2' DG A 11 17.849 -6.949 1.451 1.00 0.24 H new ATOM 0 H2'' DG A 11 16.286 -7.722 1.621 1.00 0.24 H new ATOM 0 H1' DG A 11 15.100 -5.653 1.143 1.00 0.18 H new ATOM 0 H8 DG A 11 18.555 -5.410 -0.696 1.00 0.19 H new ATOM 0 H1 DG A 11 13.075 -5.889 -4.016 1.00 0.15 H new ATOM 0 H21 DG A 11 11.607 -5.977 -0.906 1.00 0.16 H new ATOM 0 H22 DG A 11 11.418 -5.966 -2.662 1.00 0.16 H new ATOM 358 P DT A 12 15.904 -8.104 5.120 1.00 0.22 P ATOM 359 OP1 DT A 12 14.729 -8.992 5.127 1.00 0.31 O ATOM 360 OP2 DT A 12 16.239 -7.333 6.311 1.00 0.37 O ATOM 361 O5' DT A 12 17.237 -8.939 4.706 1.00 0.22 O ATOM 362 C5' DT A 12 17.331 -10.092 3.861 1.00 0.24 C ATOM 363 C4' DT A 12 18.792 -10.500 3.476 1.00 0.25 C ATOM 364 O4' DT A 12 19.710 -10.807 4.573 1.00 0.32 O ATOM 365 C3' DT A 12 19.493 -9.390 2.634 1.00 0.20 C ATOM 366 O3' DT A 12 19.192 -9.524 1.247 1.00 0.25 O ATOM 367 C2' DT A 12 20.952 -9.740 2.879 1.00 0.27 C ATOM 368 C1' DT A 12 20.876 -9.978 4.443 1.00 0.27 C ATOM 369 N1 DT A 12 20.511 -8.723 5.208 1.00 0.23 N ATOM 370 C2 DT A 12 20.959 -7.463 4.768 1.00 0.23 C ATOM 371 O2 DT A 12 21.645 -7.258 3.769 1.00 0.25 O ATOM 372 N3 DT A 12 20.602 -6.377 5.538 1.00 0.21 N ATOM 373 C4 DT A 12 19.864 -6.400 6.690 1.00 0.25 C ATOM 374 O4 DT A 12 19.606 -5.373 7.274 1.00 0.34 O ATOM 375 C5 DT A 12 19.437 -7.706 7.088 1.00 0.29 C ATOM 376 C7 DT A 12 18.604 -7.882 8.351 1.00 0.38 C ATOM 377 C6 DT A 12 19.751 -8.792 6.366 1.00 0.27 C ATOM 0 H5' DT A 12 16.768 -9.903 2.947 1.00 0.24 H new ATOM 0 H5'' DT A 12 16.853 -10.934 4.362 1.00 0.24 H new ATOM 0 H4' DT A 12 18.618 -11.424 2.924 1.00 0.25 H new ATOM 0 H3' DT A 12 19.200 -8.375 2.901 1.00 0.20 H new ATOM 0 H2' DT A 12 21.272 -10.626 2.331 1.00 0.27 H new ATOM 0 H2'' DT A 12 21.632 -8.933 2.606 1.00 0.27 H new ATOM 0 H1' DT A 12 21.828 -10.359 4.814 1.00 0.27 H new ATOM 0 H3 DT A 12 20.920 -5.463 5.216 1.00 0.21 H new ATOM 0 H71 DT A 12 17.949 -8.746 8.237 1.00 0.38 H new ATOM 0 H72 DT A 12 19.265 -8.037 9.204 1.00 0.38 H new ATOM 0 H73 DT A 12 18.001 -6.989 8.517 1.00 0.38 H new ATOM 0 H6 DT A 12 19.399 -9.757 6.699 1.00 0.27 H new ATOM 390 P DT A 13 19.307 -8.427 0.111 1.00 0.16 P ATOM 391 OP1 DT A 13 19.602 -7.143 0.758 1.00 0.22 O ATOM 392 OP2 DT A 13 18.102 -8.517 -0.693 1.00 0.32 O ATOM 393 O5' DT A 13 20.532 -8.822 -0.767 1.00 0.27 O ATOM 394 C5' DT A 13 20.778 -10.116 -1.283 1.00 0.28 C ATOM 395 C4' DT A 13 20.036 -10.498 -2.549 1.00 0.22 C ATOM 396 O4' DT A 13 18.591 -10.647 -2.448 1.00 0.20 O ATOM 397 C3' DT A 13 20.309 -9.540 -3.731 1.00 0.21 C ATOM 398 O3' DT A 13 20.638 -10.260 -4.914 1.00 0.22 O ATOM 399 C2' DT A 13 18.863 -9.003 -3.882 1.00 0.24 C ATOM 400 C1' DT A 13 17.929 -10.187 -3.648 1.00 0.17 C ATOM 401 N1 DT A 13 16.520 -9.784 -3.448 1.00 0.17 N ATOM 402 C2 DT A 13 15.768 -9.460 -4.586 1.00 0.24 C ATOM 403 O2 DT A 13 16.190 -9.498 -5.730 1.00 0.37 O ATOM 404 N3 DT A 13 14.495 -9.074 -4.366 1.00 0.22 N ATOM 405 C4 DT A 13 13.888 -8.974 -3.164 1.00 0.18 C ATOM 406 O4 DT A 13 12.720 -8.612 -3.114 1.00 0.22 O ATOM 407 C5 DT A 13 14.691 -9.319 -2.005 1.00 0.18 C ATOM 408 C7 DT A 13 14.085 -9.217 -0.620 1.00 0.30 C ATOM 409 C6 DT A 13 15.960 -9.706 -2.196 1.00 0.16 C ATOM 0 H5' DT A 13 20.529 -10.843 -0.510 1.00 0.28 H new ATOM 0 H5'' DT A 13 21.847 -10.208 -1.475 1.00 0.28 H new ATOM 0 H4' DT A 13 20.456 -11.488 -2.729 1.00 0.22 H new ATOM 0 H3' DT A 13 21.117 -8.824 -3.580 1.00 0.21 H new ATOM 0 H2' DT A 13 18.668 -8.208 -3.162 1.00 0.24 H new ATOM 0 H2'' DT A 13 18.709 -8.579 -4.874 1.00 0.24 H new ATOM 0 H1' DT A 13 17.813 -10.912 -4.454 1.00 0.17 H new ATOM 0 H3 DT A 13 13.937 -8.835 -5.186 1.00 0.22 H new ATOM 0 H71 DT A 13 13.332 -8.429 -0.609 1.00 0.30 H new ATOM 0 H72 DT A 13 13.620 -10.167 -0.356 1.00 0.30 H new ATOM 0 H73 DT A 13 14.866 -8.982 0.103 1.00 0.30 H new ATOM 0 H6 DT A 13 16.562 -9.965 -1.338 1.00 0.16 H new ATOM 422 P DG A 14 22.139 -10.707 -5.333 1.00 0.20 P ATOM 423 OP1 DG A 14 22.074 -12.033 -5.909 1.00 0.37 O ATOM 424 OP2 DG A 14 23.006 -10.470 -4.207 1.00 0.44 O ATOM 425 O5' DG A 14 22.525 -9.666 -6.473 1.00 0.29 O ATOM 426 C5' DG A 14 23.366 -9.916 -7.620 1.00 0.30 C ATOM 427 C4' DG A 14 23.421 -8.728 -8.583 1.00 0.23 C ATOM 428 O4' DG A 14 22.080 -8.371 -9.037 1.00 0.26 O ATOM 429 C3' DG A 14 24.012 -7.490 -7.917 1.00 0.15 C ATOM 430 O3' DG A 14 24.620 -6.649 -8.905 1.00 0.14 O ATOM 431 C2' DG A 14 22.623 -6.861 -7.503 1.00 0.18 C ATOM 432 C1' DG A 14 21.806 -6.989 -8.772 1.00 0.20 C ATOM 433 N9 DG A 14 20.350 -6.685 -8.696 1.00 0.18 N ATOM 434 C8 DG A 14 19.400 -6.650 -9.688 1.00 0.20 C ATOM 435 N7 DG A 14 18.207 -6.375 -9.253 1.00 0.21 N ATOM 436 C5 DG A 14 18.376 -6.218 -7.899 1.00 0.18 C ATOM 437 C6 DG A 14 17.425 -5.911 -6.935 1.00 0.18 C ATOM 438 O6 DG A 14 16.238 -5.724 -7.125 1.00 0.22 O ATOM 439 N1 DG A 14 17.953 -5.832 -5.670 1.00 0.17 N ATOM 440 C2 DG A 14 19.268 -6.027 -5.362 1.00 0.15 C ATOM 441 N2 DG A 14 19.585 -5.933 -4.081 1.00 0.18 N ATOM 442 N3 DG A 14 20.180 -6.319 -6.287 1.00 0.13 N ATOM 443 C4 DG A 14 19.670 -6.399 -7.537 1.00 0.14 C ATOM 0 H5' DG A 14 22.996 -10.793 -8.152 1.00 0.30 H new ATOM 0 H5'' DG A 14 24.375 -10.151 -7.281 1.00 0.30 H new ATOM 0 H4' DG A 14 24.048 -9.038 -9.419 1.00 0.23 H new ATOM 0 H3' DG A 14 24.765 -7.645 -7.144 1.00 0.15 H new ATOM 0 H2' DG A 14 22.167 -7.399 -6.672 1.00 0.18 H new ATOM 0 H2'' DG A 14 22.726 -5.822 -7.191 1.00 0.18 H new ATOM 0 H1' DG A 14 22.074 -6.258 -9.534 1.00 0.20 H new ATOM 0 H8 DG A 14 19.623 -6.833 -10.729 1.00 0.20 H new ATOM 0 H1 DG A 14 17.316 -5.611 -4.905 1.00 0.17 H new ATOM 0 H21 DG A 14 20.551 -6.068 -3.784 1.00 0.18 H new ATOM 0 H22 DG A 14 18.863 -5.726 -3.391 1.00 0.18 H new ATOM 455 P DG A 15 25.350 -5.241 -8.592 1.00 0.18 P ATOM 456 OP1 DG A 15 26.583 -5.151 -9.389 1.00 0.23 O ATOM 457 OP2 DG A 15 25.396 -5.033 -7.134 1.00 0.26 O ATOM 458 O5' DG A 15 24.302 -4.213 -9.221 1.00 0.20 O ATOM 459 C5' DG A 15 23.825 -4.361 -10.569 1.00 0.22 C ATOM 460 C4' DG A 15 22.637 -3.477 -10.928 1.00 0.21 C ATOM 461 O4' DG A 15 21.549 -3.753 -9.993 1.00 0.19 O ATOM 462 C3' DG A 15 22.971 -1.959 -10.791 1.00 0.25 C ATOM 463 O3' DG A 15 22.022 -1.168 -11.543 1.00 0.27 O ATOM 464 C2' DG A 15 22.662 -1.852 -9.259 1.00 0.24 C ATOM 465 C1' DG A 15 21.297 -2.602 -9.166 1.00 0.19 C ATOM 466 N9 DG A 15 20.384 -2.793 -8.006 1.00 0.15 N ATOM 467 C8 DG A 15 20.565 -3.032 -6.657 1.00 0.17 C ATOM 468 N7 DG A 15 19.444 -3.113 -5.993 1.00 0.17 N ATOM 469 C5 DG A 15 18.466 -2.911 -6.945 1.00 0.13 C ATOM 470 C6 DG A 15 17.060 -2.883 -6.802 1.00 0.13 C ATOM 471 O6 DG A 15 16.362 -3.011 -5.801 1.00 0.16 O ATOM 472 N1 DG A 15 16.434 -2.659 -7.995 1.00 0.15 N ATOM 473 C2 DG A 15 17.059 -2.468 -9.189 1.00 0.18 C ATOM 474 N2 DG A 15 16.313 -2.280 -10.257 1.00 0.26 N ATOM 475 N3 DG A 15 18.375 -2.484 -9.341 1.00 0.16 N ATOM 476 C4 DG A 15 19.021 -2.713 -8.176 1.00 0.12 C ATOM 0 H5' DG A 15 23.546 -5.403 -10.728 1.00 0.22 H new ATOM 0 H5'' DG A 15 24.643 -4.142 -11.255 1.00 0.22 H new ATOM 0 H4' DG A 15 22.370 -3.696 -11.962 1.00 0.21 H new ATOM 0 H3' DG A 15 23.953 -1.630 -11.132 1.00 0.25 H new ATOM 0 H2' DG A 15 23.433 -2.325 -8.651 1.00 0.24 H new ATOM 0 H2'' DG A 15 22.585 -0.817 -8.927 1.00 0.24 H new ATOM 0 HO3' DG A 15 22.241 -0.217 -11.448 1.00 0.27 H new ATOM 0 H1' DG A 15 20.555 -1.842 -9.413 1.00 0.19 H new ATOM 0 H8 DG A 15 21.537 -3.141 -6.198 1.00 0.17 H new ATOM 0 H1 DG A 15 15.414 -2.633 -7.991 1.00 0.15 H new ATOM 0 H21 DG A 15 16.752 -2.134 -11.166 1.00 0.26 H new ATOM 0 H22 DG A 15 15.296 -2.280 -10.175 1.00 0.26 H new TER 489 DG A 15