USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=6 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 56:sc= 0.151 USER MOD Single : A 3 DT C7 :methyl -30:sc=-0.00378 (180deg=-0.0555) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-1.28) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.405 (180deg=-3.05!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.929 (180deg=-0.929) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.0328 (180deg=-0.905) USER MOD Single : A 15 DG O3' : rot 180:sc=-0.00711 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.431 -2.234 -9.557 1.00 0.44 O ATOM 2 C5' DG A 1 5.915 -1.163 -10.317 1.00 0.49 C ATOM 3 C4' DG A 1 6.620 -1.018 -11.656 1.00 0.42 C ATOM 4 O4' DG A 1 7.982 -0.736 -11.291 1.00 0.39 O ATOM 5 C3' DG A 1 6.593 -2.239 -12.589 1.00 0.35 C ATOM 6 O3' DG A 1 6.831 -1.898 -13.966 1.00 0.33 O ATOM 7 C2' DG A 1 7.822 -2.903 -12.026 1.00 0.29 C ATOM 8 C1' DG A 1 8.812 -1.748 -11.882 1.00 0.33 C ATOM 9 N9 DG A 1 10.035 -2.023 -11.084 1.00 0.29 N ATOM 10 C8 DG A 1 11.313 -2.306 -11.516 1.00 0.34 C ATOM 11 N7 DG A 1 12.158 -2.562 -10.557 1.00 0.34 N ATOM 12 C5 DG A 1 11.407 -2.440 -9.397 1.00 0.27 C ATOM 13 C6 DG A 1 11.781 -2.605 -8.038 1.00 0.25 C ATOM 14 O6 DG A 1 12.869 -2.911 -7.573 1.00 0.32 O ATOM 15 N1 DG A 1 10.723 -2.389 -7.186 1.00 0.17 N ATOM 16 C2 DG A 1 9.455 -2.066 -7.570 1.00 0.18 C ATOM 17 N2 DG A 1 8.545 -1.943 -6.633 1.00 0.26 N ATOM 18 N3 DG A 1 9.084 -1.909 -8.839 1.00 0.24 N ATOM 19 C4 DG A 1 10.108 -2.112 -9.703 1.00 0.25 C ATOM 0 H5' DG A 1 6.017 -0.236 -9.752 1.00 0.49 H new ATOM 0 H5'' DG A 1 4.849 -1.319 -10.484 1.00 0.49 H new ATOM 0 H4' DG A 1 6.106 -0.253 -12.238 1.00 0.42 H new ATOM 0 H3' DG A 1 5.655 -2.794 -12.611 1.00 0.35 H new ATOM 0 H2' DG A 1 7.618 -3.380 -11.067 1.00 0.29 H new ATOM 0 H2'' DG A 1 8.202 -3.677 -12.693 1.00 0.29 H new ATOM 0 HO5' DG A 1 7.396 -2.113 -9.434 1.00 0.44 H new ATOM 0 H1' DG A 1 9.263 -1.484 -12.838 1.00 0.33 H new ATOM 0 H8 DG A 1 11.590 -2.315 -12.560 1.00 0.34 H new ATOM 0 H1 DG A 1 10.901 -2.478 -6.186 1.00 0.17 H new ATOM 0 H21 DG A 1 7.586 -1.702 -6.882 1.00 0.26 H new ATOM 0 H22 DG A 1 8.797 -2.088 -5.655 1.00 0.26 H new ATOM 32 P DG A 2 6.742 -2.960 -15.185 1.00 0.30 P ATOM 33 OP1 DG A 2 7.138 -2.290 -16.422 1.00 0.39 O ATOM 34 OP2 DG A 2 5.466 -3.655 -15.103 1.00 0.48 O ATOM 35 O5' DG A 2 7.887 -4.011 -14.800 1.00 0.26 O ATOM 36 C5' DG A 2 9.262 -3.771 -15.121 1.00 0.27 C ATOM 37 C4' DG A 2 10.233 -4.692 -14.393 1.00 0.24 C ATOM 38 O4' DG A 2 10.272 -4.467 -12.975 1.00 0.21 O ATOM 39 C3' DG A 2 9.983 -6.181 -14.598 1.00 0.27 C ATOM 40 O3' DG A 2 11.106 -6.823 -15.106 1.00 0.42 O ATOM 41 C2' DG A 2 9.787 -6.579 -13.148 1.00 0.24 C ATOM 42 C1' DG A 2 10.705 -5.684 -12.384 1.00 0.21 C ATOM 43 N9 DG A 2 10.649 -5.678 -10.889 1.00 0.21 N ATOM 44 C8 DG A 2 9.691 -5.225 -10.044 1.00 0.22 C ATOM 45 N7 DG A 2 9.972 -5.355 -8.784 1.00 0.22 N ATOM 46 C5 DG A 2 11.222 -5.959 -8.780 1.00 0.20 C ATOM 47 C6 DG A 2 12.073 -6.366 -7.708 1.00 0.21 C ATOM 48 O6 DG A 2 11.878 -6.293 -6.509 1.00 0.24 O ATOM 49 N1 DG A 2 13.256 -6.931 -8.155 1.00 0.21 N ATOM 50 C2 DG A 2 13.606 -7.099 -9.484 1.00 0.20 C ATOM 51 N2 DG A 2 14.734 -7.638 -9.780 1.00 0.23 N ATOM 52 N3 DG A 2 12.812 -6.719 -10.491 1.00 0.17 N ATOM 53 C4 DG A 2 11.642 -6.158 -10.063 1.00 0.18 C ATOM 0 H5' DG A 2 9.507 -2.737 -14.880 1.00 0.27 H new ATOM 0 H5'' DG A 2 9.400 -3.889 -16.196 1.00 0.27 H new ATOM 0 H4' DG A 2 11.185 -4.426 -14.854 1.00 0.24 H new ATOM 0 H3' DG A 2 9.177 -6.423 -15.291 1.00 0.27 H new ATOM 0 H2' DG A 2 8.751 -6.444 -12.836 1.00 0.24 H new ATOM 0 H2'' DG A 2 10.033 -7.629 -12.988 1.00 0.24 H new ATOM 0 H1' DG A 2 11.754 -5.970 -12.462 1.00 0.21 H new ATOM 0 H8 DG A 2 8.766 -4.790 -10.392 1.00 0.22 H new ATOM 0 H1 DG A 2 13.921 -7.248 -7.450 1.00 0.21 H new ATOM 0 H21 DG A 2 14.998 -7.765 -10.757 1.00 0.23 H new ATOM 0 H22 DG A 2 15.366 -7.939 -9.038 1.00 0.23 H new ATOM 65 P DT A 3 11.142 -8.151 -15.815 1.00 0.27 P ATOM 66 OP1 DT A 3 12.049 -8.981 -15.157 1.00 0.69 O ATOM 67 OP2 DT A 3 11.333 -7.842 -17.159 1.00 0.59 O ATOM 68 O5' DT A 3 9.651 -8.761 -15.617 1.00 0.25 O ATOM 69 C5' DT A 3 9.391 -9.860 -14.736 1.00 0.24 C ATOM 70 C4' DT A 3 7.914 -10.012 -14.410 1.00 0.24 C ATOM 71 O4' DT A 3 7.093 -9.999 -15.574 1.00 0.24 O ATOM 72 C3' DT A 3 7.409 -8.812 -13.600 1.00 0.22 C ATOM 73 O3' DT A 3 7.712 -8.915 -12.188 1.00 0.22 O ATOM 74 C2' DT A 3 5.886 -8.872 -13.840 1.00 0.27 C ATOM 75 C1' DT A 3 5.997 -9.101 -15.358 1.00 0.26 C ATOM 76 N1 DT A 3 6.175 -7.851 -16.139 1.00 0.28 N ATOM 77 C2 DT A 3 5.302 -6.801 -15.923 1.00 0.42 C ATOM 78 O2 DT A 3 4.414 -6.850 -15.105 1.00 0.50 O ATOM 79 N3 DT A 3 5.465 -5.660 -16.645 1.00 0.49 N ATOM 80 C4 DT A 3 6.451 -5.487 -17.575 1.00 0.45 C ATOM 81 O4 DT A 3 6.540 -4.466 -18.214 1.00 0.57 O ATOM 82 C5 DT A 3 7.334 -6.605 -17.756 1.00 0.38 C ATOM 83 C7 DT A 3 8.488 -6.501 -18.775 1.00 0.51 C ATOM 84 C6 DT A 3 7.174 -7.730 -17.050 1.00 0.33 C ATOM 0 H5' DT A 3 9.951 -9.720 -13.811 1.00 0.24 H new ATOM 0 H5'' DT A 3 9.755 -10.781 -15.192 1.00 0.24 H new ATOM 0 H4' DT A 3 7.844 -10.959 -13.875 1.00 0.24 H new ATOM 0 H3' DT A 3 7.879 -7.877 -13.905 1.00 0.22 H new ATOM 0 H2' DT A 3 5.391 -9.685 -13.310 1.00 0.27 H new ATOM 0 H2'' DT A 3 5.364 -7.953 -13.573 1.00 0.27 H new ATOM 0 H1' DT A 3 5.057 -9.522 -15.716 1.00 0.26 H new ATOM 0 H3 DT A 3 4.815 -4.891 -16.483 1.00 0.49 H new ATOM 0 H71 DT A 3 8.199 -5.832 -19.585 1.00 0.51 H new ATOM 0 H72 DT A 3 9.376 -6.109 -18.280 1.00 0.51 H new ATOM 0 H73 DT A 3 8.705 -7.489 -19.181 1.00 0.51 H new ATOM 0 H6 DT A 3 7.851 -8.556 -17.208 1.00 0.33 H new ATOM 97 P DT A 4 7.351 -7.776 -11.113 1.00 0.20 P ATOM 98 OP1 DT A 4 7.303 -6.479 -11.798 1.00 0.28 O ATOM 99 OP2 DT A 4 8.238 -7.901 -9.954 1.00 0.28 O ATOM 100 O5' DT A 4 5.853 -8.122 -10.654 1.00 0.24 O ATOM 101 C5' DT A 4 5.339 -9.294 -10.046 1.00 0.24 C ATOM 102 C4' DT A 4 5.808 -9.522 -8.621 1.00 0.21 C ATOM 103 O4' DT A 4 7.200 -9.893 -8.567 1.00 0.28 O ATOM 104 C3' DT A 4 5.596 -8.249 -7.794 1.00 0.20 C ATOM 105 O3' DT A 4 4.807 -8.384 -6.609 1.00 0.24 O ATOM 106 C2' DT A 4 7.055 -8.016 -7.379 1.00 0.21 C ATOM 107 C1' DT A 4 7.692 -9.394 -7.327 1.00 0.25 C ATOM 108 N1 DT A 4 9.191 -9.416 -7.296 1.00 0.26 N ATOM 109 C2 DT A 4 9.860 -8.956 -6.163 1.00 0.28 C ATOM 110 O2 DT A 4 9.317 -8.557 -5.143 1.00 0.39 O ATOM 111 N3 DT A 4 11.226 -8.974 -6.213 1.00 0.26 N ATOM 112 C4 DT A 4 11.993 -9.397 -7.264 1.00 0.26 C ATOM 113 O4 DT A 4 13.205 -9.330 -7.156 1.00 0.35 O ATOM 114 C5 DT A 4 11.249 -9.872 -8.420 1.00 0.28 C ATOM 115 C7 DT A 4 11.989 -10.389 -9.667 1.00 0.36 C ATOM 116 C6 DT A 4 9.889 -9.861 -8.383 1.00 0.27 C ATOM 0 H5' DT A 4 5.622 -10.156 -10.650 1.00 0.24 H new ATOM 0 H5'' DT A 4 4.250 -9.244 -10.053 1.00 0.24 H new ATOM 0 H4' DT A 4 5.220 -10.343 -8.210 1.00 0.21 H new ATOM 0 H3' DT A 4 5.061 -7.480 -8.351 1.00 0.20 H new ATOM 0 H2' DT A 4 7.568 -7.374 -8.095 1.00 0.21 H new ATOM 0 H2'' DT A 4 7.112 -7.521 -6.409 1.00 0.21 H new ATOM 0 H1' DT A 4 7.451 -9.950 -6.421 1.00 0.25 H new ATOM 0 H3 DT A 4 11.722 -8.640 -5.387 1.00 0.26 H new ATOM 0 H71 DT A 4 11.382 -11.147 -10.162 1.00 0.36 H new ATOM 0 H72 DT A 4 12.167 -9.561 -10.354 1.00 0.36 H new ATOM 0 H73 DT A 4 12.943 -10.825 -9.369 1.00 0.36 H new ATOM 0 H6 DT A 4 9.342 -10.217 -9.243 1.00 0.27 H new ATOM 129 P DG A 5 4.251 -7.053 -5.863 1.00 0.23 P ATOM 130 OP1 DG A 5 2.784 -6.963 -5.967 1.00 0.37 O ATOM 131 OP2 DG A 5 5.088 -5.939 -6.335 1.00 0.27 O ATOM 132 O5' DG A 5 4.600 -7.349 -4.329 1.00 0.27 O ATOM 133 C5' DG A 5 3.677 -7.507 -3.238 1.00 0.28 C ATOM 134 C4' DG A 5 3.874 -6.412 -2.170 1.00 0.23 C ATOM 135 O4' DG A 5 5.250 -6.378 -1.688 1.00 0.29 O ATOM 136 C3' DG A 5 3.564 -5.022 -2.715 1.00 0.18 C ATOM 137 O3' DG A 5 3.198 -4.107 -1.658 1.00 0.24 O ATOM 138 C2' DG A 5 4.951 -4.707 -3.191 1.00 0.22 C ATOM 139 C1' DG A 5 5.789 -5.074 -1.996 1.00 0.29 C ATOM 140 N9 DG A 5 7.245 -5.030 -2.171 1.00 0.30 N ATOM 141 C8 DG A 5 8.228 -4.976 -1.208 1.00 0.38 C ATOM 142 N7 DG A 5 9.420 -4.982 -1.683 1.00 0.42 N ATOM 143 C5 DG A 5 9.242 -5.043 -3.057 1.00 0.36 C ATOM 144 C6 DG A 5 10.200 -5.083 -4.107 1.00 0.37 C ATOM 145 O6 DG A 5 11.408 -5.075 -4.006 1.00 0.44 O ATOM 146 N1 DG A 5 9.593 -5.143 -5.343 1.00 0.30 N ATOM 147 C2 DG A 5 8.246 -5.162 -5.556 1.00 0.24 C ATOM 148 N2 DG A 5 7.846 -5.217 -6.812 1.00 0.24 N ATOM 149 N3 DG A 5 7.355 -5.128 -4.585 1.00 0.23 N ATOM 150 C4 DG A 5 7.909 -5.074 -3.360 1.00 0.28 C ATOM 0 H5' DG A 5 3.813 -8.489 -2.784 1.00 0.28 H new ATOM 0 H5'' DG A 5 2.655 -7.469 -3.616 1.00 0.28 H new ATOM 0 H4' DG A 5 3.187 -6.664 -1.363 1.00 0.23 H new ATOM 0 H3' DG A 5 2.748 -4.958 -3.435 1.00 0.18 H new ATOM 0 H2' DG A 5 5.221 -5.289 -4.072 1.00 0.22 H new ATOM 0 H2'' DG A 5 5.061 -3.656 -3.458 1.00 0.22 H new ATOM 0 H1' DG A 5 5.717 -4.347 -1.187 1.00 0.29 H new ATOM 0 H8 DG A 5 8.015 -4.933 -0.150 1.00 0.38 H new ATOM 0 H1 DG A 5 10.199 -5.176 -6.163 1.00 0.30 H new ATOM 0 H21 DG A 5 6.850 -5.234 -7.030 1.00 0.24 H new ATOM 0 H22 DG A 5 8.533 -5.243 -7.565 1.00 0.24 H new ATOM 162 P DG A 6 2.909 -2.545 -1.899 1.00 0.23 P ATOM 163 OP1 DG A 6 1.511 -2.403 -2.270 1.00 0.41 O ATOM 164 OP2 DG A 6 3.945 -2.017 -2.795 1.00 0.32 O ATOM 165 O5' DG A 6 3.045 -1.902 -0.441 1.00 0.32 O ATOM 166 C5' DG A 6 3.577 -0.616 -0.132 1.00 0.33 C ATOM 167 C4' DG A 6 5.028 -0.690 0.303 1.00 0.22 C ATOM 168 O4' DG A 6 5.877 -1.160 -0.756 1.00 0.20 O ATOM 169 C3' DG A 6 5.565 0.660 0.756 1.00 0.22 C ATOM 170 O3' DG A 6 6.136 0.574 2.060 1.00 0.27 O ATOM 171 C2' DG A 6 6.582 0.900 -0.358 1.00 0.23 C ATOM 172 C1' DG A 6 7.114 -0.496 -0.671 1.00 0.23 C ATOM 173 N9 DG A 6 7.885 -0.771 -1.901 1.00 0.19 N ATOM 174 C8 DG A 6 7.376 -0.954 -3.180 1.00 0.21 C ATOM 175 N7 DG A 6 8.284 -1.255 -4.058 1.00 0.20 N ATOM 176 C5 DG A 6 9.472 -1.261 -3.331 1.00 0.15 C ATOM 177 C6 DG A 6 10.801 -1.520 -3.766 1.00 0.15 C ATOM 178 O6 DG A 6 11.196 -1.776 -4.903 1.00 0.18 O ATOM 179 N1 DG A 6 11.696 -1.425 -2.739 1.00 0.13 N ATOM 180 C2 DG A 6 11.381 -1.120 -1.442 1.00 0.12 C ATOM 181 N2 DG A 6 12.360 -1.039 -0.551 1.00 0.17 N ATOM 182 N3 DG A 6 10.136 -0.883 -1.024 1.00 0.14 N ATOM 183 C4 DG A 6 9.237 -0.966 -2.016 1.00 0.14 C ATOM 0 H5' DG A 6 2.984 -0.159 0.660 1.00 0.33 H new ATOM 0 H5'' DG A 6 3.493 0.030 -1.006 1.00 0.33 H new ATOM 0 H4' DG A 6 5.043 -1.390 1.138 1.00 0.22 H new ATOM 0 H3' DG A 6 4.839 1.465 0.871 1.00 0.22 H new ATOM 0 H2' DG A 6 6.118 1.357 -1.232 1.00 0.23 H new ATOM 0 H2'' DG A 6 7.379 1.569 -0.035 1.00 0.23 H new ATOM 0 H1' DG A 6 7.870 -0.770 0.065 1.00 0.23 H new ATOM 0 H8 DG A 6 6.328 -0.856 -3.421 1.00 0.21 H new ATOM 0 H1 DG A 6 12.678 -1.595 -2.956 1.00 0.13 H new ATOM 0 H21 DG A 6 12.148 -0.813 0.421 1.00 0.17 H new ATOM 0 H22 DG A 6 13.325 -1.203 -0.838 1.00 0.17 H new ATOM 195 P DT A 7 5.321 0.129 3.393 1.00 0.31 P ATOM 196 OP1 DT A 7 4.843 -1.253 3.182 1.00 0.38 O ATOM 197 OP2 DT A 7 4.339 1.181 3.740 1.00 0.34 O ATOM 198 O5' DT A 7 6.497 0.073 4.511 1.00 0.32 O ATOM 199 C5' DT A 7 7.307 -1.082 4.824 1.00 0.34 C ATOM 200 C4' DT A 7 8.668 -1.096 4.142 1.00 0.24 C ATOM 201 O4' DT A 7 9.502 -2.238 4.445 1.00 0.29 O ATOM 202 C3' DT A 7 8.592 -1.059 2.603 1.00 0.22 C ATOM 203 O3' DT A 7 8.946 0.167 1.979 1.00 0.24 O ATOM 204 C2' DT A 7 9.499 -2.207 2.267 1.00 0.24 C ATOM 205 C1' DT A 7 10.481 -2.320 3.437 1.00 0.27 C ATOM 206 N1 DT A 7 11.301 -3.596 3.374 1.00 0.28 N ATOM 207 C2 DT A 7 12.203 -3.735 2.339 1.00 0.27 C ATOM 208 O2 DT A 7 12.371 -2.877 1.484 1.00 0.33 O ATOM 209 N3 DT A 7 12.919 -4.881 2.316 1.00 0.29 N ATOM 210 C4 DT A 7 12.859 -5.909 3.206 1.00 0.42 C ATOM 211 O4 DT A 7 13.587 -6.887 3.042 1.00 0.51 O ATOM 212 C5 DT A 7 11.888 -5.671 4.263 1.00 0.50 C ATOM 213 C7 DT A 7 11.712 -6.733 5.337 1.00 0.69 C ATOM 214 C6 DT A 7 11.165 -4.557 4.308 1.00 0.42 C ATOM 0 H5' DT A 7 6.762 -1.982 4.539 1.00 0.34 H new ATOM 0 H5'' DT A 7 7.454 -1.127 5.903 1.00 0.34 H new ATOM 0 H4' DT A 7 9.109 -0.187 4.552 1.00 0.24 H new ATOM 0 H3' DT A 7 7.573 -1.143 2.225 1.00 0.22 H new ATOM 0 H2' DT A 7 8.932 -3.130 2.142 1.00 0.24 H new ATOM 0 H2'' DT A 7 10.026 -2.027 1.330 1.00 0.24 H new ATOM 0 H1' DT A 7 11.293 -1.598 3.528 1.00 0.27 H new ATOM 0 H3 DT A 7 13.578 -4.987 1.545 1.00 0.29 H new ATOM 0 H71 DT A 7 11.926 -7.715 4.916 1.00 0.69 H new ATOM 0 H72 DT A 7 12.398 -6.535 6.161 1.00 0.69 H new ATOM 0 H73 DT A 7 10.686 -6.711 5.705 1.00 0.69 H new ATOM 0 H6 DT A 7 10.454 -4.419 5.109 1.00 0.42 H new ATOM 227 P DG A 8 10.261 1.004 2.247 1.00 0.23 P ATOM 228 OP1 DG A 8 11.380 0.316 1.586 1.00 0.18 O ATOM 229 OP2 DG A 8 10.337 1.288 3.673 1.00 0.32 O ATOM 230 O5' DG A 8 9.939 2.384 1.501 1.00 0.33 O ATOM 231 C5' DG A 8 10.880 3.267 0.892 1.00 0.28 C ATOM 232 C4' DG A 8 11.697 2.627 -0.221 1.00 0.20 C ATOM 233 O4' DG A 8 10.800 2.014 -1.146 1.00 0.29 O ATOM 234 C3' DG A 8 12.577 3.578 -1.041 1.00 0.25 C ATOM 235 O3' DG A 8 12.917 4.827 -0.432 1.00 0.24 O ATOM 236 C2' DG A 8 11.633 3.790 -2.183 1.00 0.33 C ATOM 237 C1' DG A 8 11.107 2.411 -2.475 1.00 0.26 C ATOM 238 N9 DG A 8 9.885 2.261 -3.244 1.00 0.27 N ATOM 239 C8 DG A 8 8.604 2.586 -2.904 1.00 0.36 C ATOM 240 N7 DG A 8 7.695 2.325 -3.796 1.00 0.36 N ATOM 241 C5 DG A 8 8.442 1.778 -4.822 1.00 0.30 C ATOM 242 C6 DG A 8 7.998 1.297 -6.074 1.00 0.35 C ATOM 243 O6 DG A 8 6.862 1.259 -6.543 1.00 0.39 O ATOM 244 N1 DG A 8 9.049 0.826 -6.828 1.00 0.36 N ATOM 245 C2 DG A 8 10.356 0.817 -6.430 1.00 0.32 C ATOM 246 N2 DG A 8 11.199 0.319 -7.304 1.00 0.39 N ATOM 247 N3 DG A 8 10.801 1.262 -5.260 1.00 0.25 N ATOM 248 C4 DG A 8 9.781 1.731 -4.499 1.00 0.25 C ATOM 0 H5' DG A 8 11.559 3.642 1.658 1.00 0.28 H new ATOM 0 H5'' DG A 8 10.347 4.128 0.489 1.00 0.28 H new ATOM 0 H4' DG A 8 12.367 1.935 0.290 1.00 0.20 H new ATOM 0 H3' DG A 8 13.569 3.173 -1.244 1.00 0.25 H new ATOM 0 H2' DG A 8 10.829 4.476 -1.916 1.00 0.33 H new ATOM 0 H2'' DG A 8 12.141 4.216 -3.048 1.00 0.33 H new ATOM 0 H1' DG A 8 11.828 1.868 -3.086 1.00 0.26 H new ATOM 0 H8 DG A 8 8.360 3.033 -1.952 1.00 0.36 H new ATOM 0 H1 DG A 8 8.836 0.456 -7.754 1.00 0.36 H new ATOM 0 H21 DG A 8 12.194 0.276 -7.085 1.00 0.39 H new ATOM 0 H22 DG A 8 10.859 -0.025 -8.202 1.00 0.39 H new ATOM 260 P DT A 9 14.117 4.888 0.661 1.00 0.25 P ATOM 261 OP1 DT A 9 13.718 4.207 1.902 1.00 0.26 O ATOM 262 OP2 DT A 9 14.589 6.272 0.715 1.00 0.45 O ATOM 263 O5' DT A 9 15.294 4.041 -0.005 1.00 0.22 O ATOM 264 C5' DT A 9 16.010 3.097 0.771 1.00 0.23 C ATOM 265 C4' DT A 9 16.798 2.137 -0.115 1.00 0.22 C ATOM 266 O4' DT A 9 15.887 1.463 -1.011 1.00 0.29 O ATOM 267 C3' DT A 9 17.843 2.879 -0.951 1.00 0.19 C ATOM 268 O3' DT A 9 19.081 2.160 -0.814 1.00 0.24 O ATOM 269 C2' DT A 9 17.147 2.816 -2.246 1.00 0.19 C ATOM 270 C1' DT A 9 16.566 1.409 -2.248 1.00 0.20 C ATOM 271 N1 DT A 9 15.829 1.072 -3.526 1.00 0.22 N ATOM 272 C2 DT A 9 14.419 1.132 -3.530 1.00 0.28 C ATOM 273 O2 DT A 9 13.750 1.449 -2.556 1.00 0.31 O ATOM 274 N3 DT A 9 13.783 0.827 -4.705 1.00 0.33 N ATOM 275 C4 DT A 9 14.418 0.472 -5.863 1.00 0.32 C ATOM 276 O4 DT A 9 13.760 0.202 -6.852 1.00 0.37 O ATOM 277 C5 DT A 9 15.874 0.433 -5.788 1.00 0.26 C ATOM 278 C7 DT A 9 16.704 0.043 -7.029 1.00 0.26 C ATOM 279 C6 DT A 9 16.524 0.723 -4.665 1.00 0.22 C ATOM 0 H5' DT A 9 15.316 2.534 1.394 1.00 0.23 H new ATOM 0 H5'' DT A 9 16.692 3.618 1.444 1.00 0.23 H new ATOM 0 H4' DT A 9 17.310 1.423 0.531 1.00 0.22 H new ATOM 0 H3' DT A 9 18.137 3.902 -0.714 1.00 0.19 H new ATOM 0 H2' DT A 9 16.369 3.575 -2.324 1.00 0.19 H new ATOM 0 H2'' DT A 9 17.830 2.973 -3.081 1.00 0.19 H new ATOM 0 H1' DT A 9 17.242 0.555 -2.286 1.00 0.20 H new ATOM 0 H3 DT A 9 12.764 0.868 -4.717 1.00 0.33 H new ATOM 0 H71 DT A 9 16.130 -0.646 -7.649 1.00 0.26 H new ATOM 0 H72 DT A 9 16.941 0.938 -7.604 1.00 0.26 H new ATOM 0 H73 DT A 9 17.628 -0.439 -6.712 1.00 0.26 H new ATOM 0 H6 DT A 9 17.603 0.685 -4.645 1.00 0.22 H new ATOM 292 P DG A 10 20.050 1.862 -2.047 1.00 0.30 P ATOM 293 OP1 DG A 10 20.497 3.145 -2.609 1.00 0.39 O ATOM 294 OP2 DG A 10 19.411 0.874 -2.912 1.00 0.40 O ATOM 295 O5' DG A 10 21.321 1.161 -1.375 1.00 0.43 O ATOM 296 C5' DG A 10 21.473 -0.200 -0.923 1.00 0.43 C ATOM 297 C4' DG A 10 20.761 -0.556 0.372 1.00 0.26 C ATOM 298 O4' DG A 10 19.360 -0.335 0.184 1.00 0.21 O ATOM 299 C3' DG A 10 20.963 -2.044 0.732 1.00 0.29 C ATOM 300 O3' DG A 10 21.228 -2.392 2.115 1.00 0.29 O ATOM 301 C2' DG A 10 19.612 -2.530 0.281 1.00 0.27 C ATOM 302 C1' DG A 10 18.597 -1.473 0.651 1.00 0.23 C ATOM 303 N9 DG A 10 17.296 -1.547 -0.043 1.00 0.20 N ATOM 304 C8 DG A 10 16.015 -1.438 0.427 1.00 0.20 C ATOM 305 N7 DG A 10 15.093 -1.558 -0.491 1.00 0.20 N ATOM 306 C5 DG A 10 15.806 -1.750 -1.661 1.00 0.19 C ATOM 307 C6 DG A 10 15.365 -1.949 -2.999 1.00 0.22 C ATOM 308 O6 DG A 10 14.219 -1.955 -3.424 1.00 0.24 O ATOM 309 N1 DG A 10 16.417 -2.117 -3.884 1.00 0.24 N ATOM 310 C2 DG A 10 17.742 -2.090 -3.526 1.00 0.26 C ATOM 311 N2 DG A 10 18.632 -2.253 -4.462 1.00 0.33 N ATOM 312 N3 DG A 10 18.172 -1.911 -2.283 1.00 0.26 N ATOM 313 C4 DG A 10 17.153 -1.748 -1.397 1.00 0.20 C ATOM 0 H5' DG A 10 22.536 -0.403 -0.797 1.00 0.43 H new ATOM 0 H5'' DG A 10 21.112 -0.865 -1.708 1.00 0.43 H new ATOM 0 H4' DG A 10 21.168 0.059 1.175 1.00 0.26 H new ATOM 0 H3' DG A 10 21.861 -2.470 0.285 1.00 0.29 H new ATOM 0 H2' DG A 10 19.608 -2.704 -0.795 1.00 0.27 H new ATOM 0 H2'' DG A 10 19.368 -3.479 0.759 1.00 0.27 H new ATOM 0 H1' DG A 10 18.278 -1.510 1.693 1.00 0.23 H new ATOM 0 H8 DG A 10 15.786 -1.267 1.468 1.00 0.20 H new ATOM 0 H1 DG A 10 16.192 -2.271 -4.867 1.00 0.24 H new ATOM 0 H21 DG A 10 19.625 -2.238 -4.230 1.00 0.33 H new ATOM 0 H22 DG A 10 18.336 -2.395 -5.428 1.00 0.33 H new ATOM 325 P DG A 11 21.248 -3.967 2.569 1.00 0.31 P ATOM 326 OP1 DG A 11 21.947 -4.078 3.855 1.00 0.41 O ATOM 327 OP2 DG A 11 21.722 -4.733 1.403 1.00 0.33 O ATOM 328 O5' DG A 11 19.713 -4.265 2.824 1.00 0.29 O ATOM 329 C5' DG A 11 18.879 -3.593 3.768 1.00 0.27 C ATOM 330 C4' DG A 11 17.405 -3.979 3.626 1.00 0.24 C ATOM 331 O4' DG A 11 16.953 -3.785 2.269 1.00 0.25 O ATOM 332 C3' DG A 11 17.271 -5.489 3.952 1.00 0.16 C ATOM 333 O3' DG A 11 16.034 -5.973 4.469 1.00 0.27 O ATOM 334 C2' DG A 11 17.404 -5.993 2.522 1.00 0.17 C ATOM 335 C1' DG A 11 16.507 -5.051 1.773 1.00 0.18 C ATOM 336 N9 DG A 11 16.478 -5.101 0.277 1.00 0.18 N ATOM 337 C8 DG A 11 17.493 -5.210 -0.628 1.00 0.24 C ATOM 338 N7 DG A 11 17.106 -5.196 -1.862 1.00 0.21 N ATOM 339 C5 DG A 11 15.735 -5.076 -1.781 1.00 0.16 C ATOM 340 C6 DG A 11 14.785 -5.012 -2.794 1.00 0.19 C ATOM 341 O6 DG A 11 15.006 -5.076 -3.987 1.00 0.19 O ATOM 342 N1 DG A 11 13.506 -4.891 -2.308 1.00 0.29 N ATOM 343 C2 DG A 11 13.199 -4.836 -0.960 1.00 0.32 C ATOM 344 N2 DG A 11 11.943 -4.701 -0.621 1.00 0.46 N ATOM 345 N3 DG A 11 14.100 -4.899 0.031 1.00 0.26 N ATOM 346 C4 DG A 11 15.344 -5.016 -0.477 1.00 0.17 C ATOM 0 H5' DG A 11 18.983 -2.516 3.638 1.00 0.27 H new ATOM 0 H5'' DG A 11 19.217 -3.827 4.778 1.00 0.27 H new ATOM 0 H4' DG A 11 16.811 -3.360 4.298 1.00 0.24 H new ATOM 0 H3' DG A 11 17.964 -5.792 4.737 1.00 0.16 H new ATOM 0 H2' DG A 11 18.433 -5.945 2.167 1.00 0.17 H new ATOM 0 H2'' DG A 11 17.081 -7.029 2.423 1.00 0.17 H new ATOM 0 H1' DG A 11 15.464 -5.313 1.953 1.00 0.18 H new ATOM 0 H8 DG A 11 18.530 -5.300 -0.339 1.00 0.24 H new ATOM 0 H1 DG A 11 12.739 -4.839 -2.979 1.00 0.29 H new ATOM 0 H21 DG A 11 11.683 -4.657 0.364 1.00 0.46 H new ATOM 0 H22 DG A 11 11.224 -4.640 -1.342 1.00 0.46 H new ATOM 358 P DT A 12 16.016 -7.192 5.502 1.00 0.32 P ATOM 359 OP1 DT A 12 14.743 -7.909 5.346 1.00 0.41 O ATOM 360 OP2 DT A 12 16.433 -6.729 6.837 1.00 0.39 O ATOM 361 O5' DT A 12 17.191 -8.187 4.967 1.00 0.26 O ATOM 362 C5' DT A 12 16.981 -9.357 4.183 1.00 0.28 C ATOM 363 C4' DT A 12 18.265 -9.840 3.547 1.00 0.25 C ATOM 364 O4' DT A 12 19.204 -9.999 4.590 1.00 0.31 O ATOM 365 C3' DT A 12 18.999 -8.892 2.610 1.00 0.23 C ATOM 366 O3' DT A 12 18.479 -9.077 1.302 1.00 0.21 O ATOM 367 C2' DT A 12 20.515 -9.365 2.711 1.00 0.29 C ATOM 368 C1' DT A 12 20.450 -9.353 4.260 1.00 0.29 C ATOM 369 N1 DT A 12 20.593 -8.081 5.006 1.00 0.27 N ATOM 370 C2 DT A 12 21.419 -7.101 4.513 1.00 0.31 C ATOM 371 O2 DT A 12 22.117 -7.208 3.511 1.00 0.41 O ATOM 372 N3 DT A 12 21.452 -5.926 5.265 1.00 0.37 N ATOM 373 C4 DT A 12 20.788 -5.621 6.427 1.00 0.36 C ATOM 374 O4 DT A 12 20.917 -4.537 6.986 1.00 0.50 O ATOM 375 C5 DT A 12 19.963 -6.686 6.871 1.00 0.33 C ATOM 376 C7 DT A 12 19.184 -6.490 8.148 1.00 0.44 C ATOM 377 C6 DT A 12 19.894 -7.845 6.168 1.00 0.30 C ATOM 0 H5' DT A 12 16.246 -9.148 3.406 1.00 0.28 H new ATOM 0 H5'' DT A 12 16.566 -10.146 4.810 1.00 0.28 H new ATOM 0 H4' DT A 12 17.951 -10.713 2.975 1.00 0.25 H new ATOM 0 H3' DT A 12 18.894 -7.835 2.854 1.00 0.23 H new ATOM 0 H2' DT A 12 20.715 -10.343 2.273 1.00 0.29 H new ATOM 0 H2'' DT A 12 21.237 -8.670 2.282 1.00 0.29 H new ATOM 0 H1' DT A 12 21.357 -9.857 4.593 1.00 0.29 H new ATOM 0 H3 DT A 12 22.055 -5.189 4.899 1.00 0.37 H new ATOM 0 H71 DT A 12 18.261 -7.068 8.103 1.00 0.44 H new ATOM 0 H72 DT A 12 19.782 -6.827 8.995 1.00 0.44 H new ATOM 0 H73 DT A 12 18.945 -5.433 8.270 1.00 0.44 H new ATOM 0 H6 DT A 12 19.252 -8.629 6.543 1.00 0.30 H new ATOM 390 P DT A 13 18.954 -8.187 0.024 1.00 0.21 P ATOM 391 OP1 DT A 13 19.490 -6.894 0.534 1.00 0.21 O ATOM 392 OP2 DT A 13 17.849 -8.230 -0.973 1.00 0.26 O ATOM 393 O5' DT A 13 20.232 -9.087 -0.473 1.00 0.18 O ATOM 394 C5' DT A 13 20.295 -10.526 -0.629 1.00 0.22 C ATOM 395 C4' DT A 13 19.684 -11.024 -1.952 1.00 0.26 C ATOM 396 O4' DT A 13 18.250 -10.891 -2.076 1.00 0.30 O ATOM 397 C3' DT A 13 20.346 -10.377 -3.210 1.00 0.26 C ATOM 398 O3' DT A 13 20.776 -11.485 -4.013 1.00 0.33 O ATOM 399 C2' DT A 13 19.088 -9.684 -3.732 1.00 0.28 C ATOM 400 C1' DT A 13 17.929 -10.630 -3.418 1.00 0.28 C ATOM 401 N1 DT A 13 16.568 -10.011 -3.588 1.00 0.31 N ATOM 402 C2 DT A 13 16.014 -9.991 -4.849 1.00 0.35 C ATOM 403 O2 DT A 13 16.550 -10.453 -5.836 1.00 0.45 O ATOM 404 N3 DT A 13 14.785 -9.439 -4.955 1.00 0.36 N ATOM 405 C4 DT A 13 14.038 -8.899 -3.939 1.00 0.32 C ATOM 406 O4 DT A 13 12.932 -8.420 -4.207 1.00 0.33 O ATOM 407 C5 DT A 13 14.681 -8.965 -2.662 1.00 0.35 C ATOM 408 C7 DT A 13 13.963 -8.410 -1.423 1.00 0.48 C ATOM 409 C6 DT A 13 15.873 -9.492 -2.514 1.00 0.35 C ATOM 0 H5' DT A 13 19.774 -10.998 0.204 1.00 0.22 H new ATOM 0 H5'' DT A 13 21.336 -10.845 -0.575 1.00 0.22 H new ATOM 0 H4' DT A 13 19.904 -12.091 -1.911 1.00 0.26 H new ATOM 0 H3' DT A 13 21.205 -9.712 -3.123 1.00 0.26 H new ATOM 0 H2' DT A 13 18.945 -8.717 -3.249 1.00 0.28 H new ATOM 0 H2'' DT A 13 19.161 -9.497 -4.803 1.00 0.28 H new ATOM 0 H1' DT A 13 17.844 -11.497 -4.073 1.00 0.28 H new ATOM 0 H3 DT A 13 14.370 -9.422 -5.887 1.00 0.36 H new ATOM 0 H71 DT A 13 13.310 -7.589 -1.718 1.00 0.48 H new ATOM 0 H72 DT A 13 13.368 -9.199 -0.963 1.00 0.48 H new ATOM 0 H73 DT A 13 14.701 -8.048 -0.707 1.00 0.48 H new ATOM 0 H6 DT A 13 16.320 -9.520 -1.531 1.00 0.35 H new ATOM 422 P DG A 14 22.086 -11.631 -4.955 1.00 0.40 P ATOM 423 OP1 DG A 14 22.408 -13.016 -5.060 1.00 0.69 O ATOM 424 OP2 DG A 14 23.055 -10.736 -4.456 1.00 0.68 O ATOM 425 O5' DG A 14 21.661 -11.126 -6.361 1.00 0.36 O ATOM 426 C5' DG A 14 22.474 -11.155 -7.534 1.00 0.32 C ATOM 427 C4' DG A 14 22.340 -9.875 -8.379 1.00 0.28 C ATOM 428 O4' DG A 14 20.965 -9.601 -8.711 1.00 0.27 O ATOM 429 C3' DG A 14 22.861 -8.659 -7.621 1.00 0.29 C ATOM 430 O3' DG A 14 23.176 -7.626 -8.573 1.00 0.34 O ATOM 431 C2' DG A 14 21.559 -8.333 -6.906 1.00 0.23 C ATOM 432 C1' DG A 14 20.608 -8.340 -8.090 1.00 0.27 C ATOM 433 N9 DG A 14 19.179 -8.182 -7.882 1.00 0.24 N ATOM 434 C8 DG A 14 18.159 -8.638 -8.650 1.00 0.26 C ATOM 435 N7 DG A 14 16.969 -8.329 -8.205 1.00 0.27 N ATOM 436 C5 DG A 14 17.254 -7.614 -7.053 1.00 0.24 C ATOM 437 C6 DG A 14 16.376 -7.024 -6.136 1.00 0.28 C ATOM 438 O6 DG A 14 15.148 -7.016 -6.176 1.00 0.33 O ATOM 439 N1 DG A 14 17.058 -6.397 -5.108 1.00 0.27 N ATOM 440 C2 DG A 14 18.424 -6.348 -4.974 1.00 0.24 C ATOM 441 N2 DG A 14 18.922 -5.738 -3.936 1.00 0.26 N ATOM 442 N3 DG A 14 19.256 -6.905 -5.839 1.00 0.22 N ATOM 443 C4 DG A 14 18.599 -7.522 -6.847 1.00 0.22 C ATOM 0 H5' DG A 14 22.199 -12.017 -8.141 1.00 0.32 H new ATOM 0 H5'' DG A 14 23.517 -11.288 -7.246 1.00 0.32 H new ATOM 0 H4' DG A 14 22.923 -10.048 -9.284 1.00 0.28 H new ATOM 0 H3' DG A 14 23.747 -8.781 -6.998 1.00 0.29 H new ATOM 0 H2' DG A 14 21.297 -9.078 -6.155 1.00 0.23 H new ATOM 0 H2'' DG A 14 21.590 -7.368 -6.400 1.00 0.23 H new ATOM 0 H1' DG A 14 20.741 -7.435 -8.682 1.00 0.27 H new ATOM 0 H8 DG A 14 18.316 -9.209 -9.553 1.00 0.26 H new ATOM 0 H1 DG A 14 16.500 -5.933 -4.391 1.00 0.27 H new ATOM 0 H21 DG A 14 19.933 -5.686 -3.811 1.00 0.26 H new ATOM 0 H22 DG A 14 18.301 -5.312 -3.248 1.00 0.26 H new ATOM 455 P DG A 15 23.854 -6.208 -8.177 1.00 0.32 P ATOM 456 OP1 DG A 15 25.222 -6.433 -7.690 1.00 0.40 O ATOM 457 OP2 DG A 15 22.905 -5.414 -7.385 1.00 0.38 O ATOM 458 O5' DG A 15 24.019 -5.498 -9.627 1.00 0.37 O ATOM 459 C5' DG A 15 23.044 -4.967 -10.554 1.00 0.34 C ATOM 460 C4' DG A 15 21.818 -5.853 -10.731 1.00 0.33 C ATOM 461 O4' DG A 15 21.029 -5.760 -9.507 1.00 0.29 O ATOM 462 C3' DG A 15 20.911 -5.425 -11.866 1.00 0.40 C ATOM 463 O3' DG A 15 20.063 -6.529 -12.250 1.00 0.45 O ATOM 464 C2' DG A 15 20.051 -4.483 -11.098 1.00 0.39 C ATOM 465 C1' DG A 15 19.693 -5.374 -9.846 1.00 0.29 C ATOM 466 N9 DG A 15 19.006 -4.693 -8.719 1.00 0.24 N ATOM 467 C8 DG A 15 19.501 -4.189 -7.537 1.00 0.25 C ATOM 468 N7 DG A 15 18.595 -3.623 -6.779 1.00 0.26 N ATOM 469 C5 DG A 15 17.416 -3.751 -7.487 1.00 0.24 C ATOM 470 C6 DG A 15 16.095 -3.323 -7.162 1.00 0.28 C ATOM 471 O6 DG A 15 15.708 -2.728 -6.158 1.00 0.32 O ATOM 472 N1 DG A 15 15.197 -3.649 -8.151 1.00 0.26 N ATOM 473 C2 DG A 15 15.536 -4.305 -9.315 1.00 0.25 C ATOM 474 N2 DG A 15 14.592 -4.527 -10.197 1.00 0.30 N ATOM 475 N3 DG A 15 16.762 -4.713 -9.628 1.00 0.25 N ATOM 476 C4 DG A 15 17.656 -4.401 -8.666 1.00 0.23 C ATOM 0 H5' DG A 15 23.520 -4.823 -11.524 1.00 0.34 H new ATOM 0 H5'' DG A 15 22.724 -3.985 -10.207 1.00 0.34 H new ATOM 0 H4' DG A 15 22.180 -6.857 -10.953 1.00 0.33 H new ATOM 0 H3' DG A 15 21.416 -5.055 -12.758 1.00 0.40 H new ATOM 0 H2' DG A 15 20.580 -3.571 -10.820 1.00 0.39 H new ATOM 0 H2'' DG A 15 19.166 -4.180 -11.658 1.00 0.39 H new ATOM 0 HO3' DG A 15 19.475 -6.251 -12.983 1.00 0.45 H new ATOM 0 H1' DG A 15 18.966 -6.159 -10.057 1.00 0.29 H new ATOM 0 H8 DG A 15 20.543 -4.255 -7.260 1.00 0.25 H new ATOM 0 H1 DG A 15 14.220 -3.389 -8.015 1.00 0.26 H new ATOM 0 H21 DG A 15 14.811 -5.010 -11.068 1.00 0.30 H new ATOM 0 H22 DG A 15 13.638 -4.217 -10.012 1.00 0.30 H new TER 489 DG A 15