USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -128:sc= 1.05 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.246 (180deg=-2.07) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0754 (180deg=-0.0754) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.0205 (180deg=-0.0205) USER MOD Single : A 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.271 2.672 -11.733 1.00 0.46 O ATOM 2 C5' DG A 1 9.263 2.489 -13.160 1.00 0.42 C ATOM 3 C4' DG A 1 9.459 1.061 -13.638 1.00 0.31 C ATOM 4 O4' DG A 1 10.734 0.527 -13.151 1.00 0.29 O ATOM 5 C3' DG A 1 8.386 0.052 -13.137 1.00 0.21 C ATOM 6 O3' DG A 1 8.061 -0.954 -14.080 1.00 0.16 O ATOM 7 C2' DG A 1 9.210 -0.546 -12.018 1.00 0.19 C ATOM 8 C1' DG A 1 10.574 -0.778 -12.626 1.00 0.19 C ATOM 9 N9 DG A 1 11.631 -1.184 -11.669 1.00 0.18 N ATOM 10 C8 DG A 1 12.998 -1.175 -11.833 1.00 0.22 C ATOM 11 N7 DG A 1 13.652 -1.559 -10.785 1.00 0.21 N ATOM 12 C5 DG A 1 12.670 -1.851 -9.854 1.00 0.16 C ATOM 13 C6 DG A 1 12.782 -2.306 -8.509 1.00 0.15 C ATOM 14 O6 DG A 1 13.797 -2.542 -7.857 1.00 0.19 O ATOM 15 N1 DG A 1 11.530 -2.463 -7.935 1.00 0.15 N ATOM 16 C2 DG A 1 10.337 -2.209 -8.557 1.00 0.14 C ATOM 17 N2 DG A 1 9.216 -2.390 -7.901 1.00 0.19 N ATOM 18 N3 DG A 1 10.240 -1.786 -9.795 1.00 0.12 N ATOM 19 C4 DG A 1 11.432 -1.623 -10.385 1.00 0.14 C ATOM 0 H5' DG A 1 10.048 3.109 -13.593 1.00 0.42 H new ATOM 0 H5'' DG A 1 8.314 2.857 -13.551 1.00 0.42 H new ATOM 0 H4' DG A 1 9.402 1.142 -14.723 1.00 0.31 H new ATOM 0 H3' DG A 1 7.418 0.492 -12.898 1.00 0.21 H new ATOM 0 H2' DG A 1 9.267 0.129 -11.164 1.00 0.19 H new ATOM 0 H2'' DG A 1 8.773 -1.478 -11.659 1.00 0.19 H new ATOM 0 HO5' DG A 1 8.468 3.164 -11.462 1.00 0.46 H new ATOM 0 H1' DG A 1 10.653 -1.608 -13.328 1.00 0.19 H new ATOM 0 H8 DG A 1 13.480 -0.875 -12.752 1.00 0.22 H new ATOM 0 H1 DG A 1 11.495 -2.795 -6.971 1.00 0.15 H new ATOM 0 H21 DG A 1 8.323 -2.203 -8.357 1.00 0.19 H new ATOM 0 H22 DG A 1 9.237 -2.718 -6.935 1.00 0.19 H new ATOM 32 P DG A 2 7.108 -2.185 -13.684 1.00 0.11 P ATOM 33 OP1 DG A 2 6.262 -2.524 -14.851 1.00 0.19 O ATOM 34 OP2 DG A 2 6.474 -1.936 -12.370 1.00 0.16 O ATOM 35 O5' DG A 2 8.180 -3.389 -13.474 1.00 0.18 O ATOM 36 C5' DG A 2 9.137 -3.855 -14.422 1.00 0.20 C ATOM 37 C4' DG A 2 9.897 -5.116 -13.923 1.00 0.16 C ATOM 38 O4' DG A 2 10.606 -4.844 -12.673 1.00 0.18 O ATOM 39 C3' DG A 2 8.942 -6.316 -13.624 1.00 0.15 C ATOM 40 O3' DG A 2 9.449 -7.667 -13.883 1.00 0.20 O ATOM 41 C2' DG A 2 8.809 -6.033 -12.159 1.00 0.13 C ATOM 42 C1' DG A 2 10.235 -5.831 -11.693 1.00 0.16 C ATOM 43 N9 DG A 2 10.539 -5.606 -10.262 1.00 0.15 N ATOM 44 C8 DG A 2 9.662 -5.362 -9.231 1.00 0.20 C ATOM 45 N7 DG A 2 10.237 -5.261 -8.076 1.00 0.21 N ATOM 46 C5 DG A 2 11.582 -5.450 -8.338 1.00 0.16 C ATOM 47 C6 DG A 2 12.660 -5.441 -7.445 1.00 0.18 C ATOM 48 O6 DG A 2 12.594 -5.295 -6.230 1.00 0.21 O ATOM 49 N1 DG A 2 13.853 -5.663 -8.093 1.00 0.18 N ATOM 50 C2 DG A 2 13.993 -5.867 -9.444 1.00 0.19 C ATOM 51 N2 DG A 2 15.227 -6.056 -9.914 1.00 0.26 N ATOM 52 N3 DG A 2 12.976 -5.878 -10.304 1.00 0.17 N ATOM 53 C4 DG A 2 11.795 -5.661 -9.672 1.00 0.14 C ATOM 0 H5' DG A 2 9.854 -3.061 -14.632 1.00 0.20 H new ATOM 0 H5'' DG A 2 8.633 -4.085 -15.361 1.00 0.20 H new ATOM 0 H4' DG A 2 10.583 -5.371 -14.731 1.00 0.16 H new ATOM 0 H3' DG A 2 8.051 -6.352 -14.250 1.00 0.15 H new ATOM 0 H2' DG A 2 8.201 -5.147 -11.977 1.00 0.13 H new ATOM 0 H2'' DG A 2 8.331 -6.861 -11.635 1.00 0.13 H new ATOM 0 H1' DG A 2 10.848 -6.732 -11.665 1.00 0.16 H new ATOM 0 H8 DG A 2 8.596 -5.264 -9.372 1.00 0.20 H new ATOM 0 H1 DG A 2 14.700 -5.677 -7.525 1.00 0.18 H new ATOM 0 H21 DG A 2 15.375 -6.211 -10.911 1.00 0.26 H new ATOM 0 H22 DG A 2 16.023 -6.045 -9.276 1.00 0.26 H new ATOM 65 P DT A 3 9.719 -8.904 -12.871 1.00 0.19 P ATOM 66 OP1 DT A 3 10.826 -8.534 -11.980 1.00 0.29 O ATOM 67 OP2 DT A 3 9.837 -10.125 -13.691 1.00 0.23 O ATOM 68 O5' DT A 3 8.389 -9.006 -12.005 1.00 0.24 O ATOM 69 C5' DT A 3 7.479 -10.121 -12.086 1.00 0.25 C ATOM 70 C4' DT A 3 6.027 -9.691 -12.399 1.00 0.23 C ATOM 71 O4' DT A 3 6.034 -8.858 -13.606 1.00 0.30 O ATOM 72 C3' DT A 3 5.330 -8.815 -11.316 1.00 0.17 C ATOM 73 O3' DT A 3 6.240 -8.055 -10.561 1.00 0.14 O ATOM 74 C2' DT A 3 4.597 -7.848 -12.321 1.00 0.26 C ATOM 75 C1' DT A 3 5.730 -7.503 -13.307 1.00 0.24 C ATOM 76 N1 DT A 3 5.435 -6.644 -14.477 1.00 0.39 N ATOM 77 C2 DT A 3 5.434 -5.282 -14.249 1.00 0.32 C ATOM 78 O2 DT A 3 5.678 -4.810 -13.166 1.00 0.22 O ATOM 79 N3 DT A 3 5.166 -4.449 -15.288 1.00 0.43 N ATOM 80 C4 DT A 3 4.890 -4.842 -16.550 1.00 0.62 C ATOM 81 O4 DT A 3 4.634 -3.964 -17.367 1.00 0.70 O ATOM 82 C5 DT A 3 4.918 -6.303 -16.740 1.00 0.72 C ATOM 83 C7 DT A 3 4.686 -6.952 -18.104 1.00 1.02 C ATOM 84 C6 DT A 3 5.181 -7.136 -15.714 1.00 0.61 C ATOM 0 H5' DT A 3 7.496 -10.666 -11.142 1.00 0.25 H new ATOM 0 H5'' DT A 3 7.823 -10.809 -12.858 1.00 0.25 H new ATOM 0 H4' DT A 3 5.480 -10.630 -12.481 1.00 0.23 H new ATOM 0 H3' DT A 3 4.746 -9.364 -10.578 1.00 0.17 H new ATOM 0 H2' DT A 3 3.757 -8.334 -12.817 1.00 0.26 H new ATOM 0 H2'' DT A 3 4.204 -6.962 -11.823 1.00 0.26 H new ATOM 0 H1' DT A 3 6.513 -6.853 -12.915 1.00 0.24 H new ATOM 0 H3 DT A 3 5.174 -3.447 -15.100 1.00 0.43 H new ATOM 0 H71 DT A 3 5.240 -7.889 -18.160 1.00 1.02 H new ATOM 0 H72 DT A 3 3.622 -7.151 -18.236 1.00 1.02 H new ATOM 0 H73 DT A 3 5.030 -6.280 -18.890 1.00 1.02 H new ATOM 0 H6 DT A 3 5.189 -8.203 -15.879 1.00 0.61 H new ATOM 97 P DT A 4 5.856 -7.116 -9.331 1.00 0.13 P ATOM 98 OP1 DT A 4 4.485 -6.641 -9.550 1.00 0.22 O ATOM 99 OP2 DT A 4 6.929 -6.121 -9.113 1.00 0.21 O ATOM 100 O5' DT A 4 5.825 -8.114 -8.039 1.00 0.19 O ATOM 101 C5' DT A 4 4.879 -9.198 -7.965 1.00 0.24 C ATOM 102 C4' DT A 4 5.016 -9.994 -6.681 1.00 0.20 C ATOM 103 O4' DT A 4 6.385 -10.483 -6.436 1.00 0.21 O ATOM 104 C3' DT A 4 4.628 -9.079 -5.496 1.00 0.18 C ATOM 105 O3' DT A 4 4.242 -9.968 -4.449 1.00 0.25 O ATOM 106 C2' DT A 4 6.082 -8.558 -5.228 1.00 0.20 C ATOM 107 C1' DT A 4 7.029 -9.774 -5.332 1.00 0.23 C ATOM 108 N1 DT A 4 8.470 -9.484 -5.651 1.00 0.22 N ATOM 109 C2 DT A 4 9.317 -9.408 -4.569 1.00 0.30 C ATOM 110 O2 DT A 4 8.973 -9.587 -3.416 1.00 0.37 O ATOM 111 N3 DT A 4 10.632 -9.146 -4.844 1.00 0.33 N ATOM 112 C4 DT A 4 11.192 -8.960 -6.083 1.00 0.29 C ATOM 113 O4 DT A 4 12.393 -8.744 -6.141 1.00 0.35 O ATOM 114 C5 DT A 4 10.252 -9.058 -7.179 1.00 0.20 C ATOM 115 C7 DT A 4 10.747 -8.916 -8.628 1.00 0.21 C ATOM 116 C6 DT A 4 8.951 -9.305 -6.948 1.00 0.19 C ATOM 0 H5' DT A 4 5.022 -9.861 -8.818 1.00 0.24 H new ATOM 0 H5'' DT A 4 3.867 -8.800 -8.037 1.00 0.24 H new ATOM 0 H4' DT A 4 4.365 -10.863 -6.776 1.00 0.20 H new ATOM 0 H3' DT A 4 3.851 -8.324 -5.615 1.00 0.18 H new ATOM 0 H2' DT A 4 6.357 -7.793 -5.954 1.00 0.20 H new ATOM 0 H2'' DT A 4 6.151 -8.100 -4.241 1.00 0.20 H new ATOM 0 H1' DT A 4 7.130 -10.297 -4.381 1.00 0.23 H new ATOM 0 H3 DT A 4 11.262 -9.082 -4.044 1.00 0.33 H new ATOM 0 H71 DT A 4 11.616 -8.259 -8.653 1.00 0.21 H new ATOM 0 H72 DT A 4 11.022 -9.897 -9.016 1.00 0.21 H new ATOM 0 H73 DT A 4 9.954 -8.492 -9.244 1.00 0.21 H new ATOM 0 H6 DT A 4 8.266 -9.366 -7.781 1.00 0.19 H new ATOM 129 P DG A 5 3.188 -9.633 -3.248 1.00 0.20 P ATOM 130 OP1 DG A 5 2.992 -10.878 -2.471 1.00 0.30 O ATOM 131 OP2 DG A 5 2.050 -9.008 -3.926 1.00 0.35 O ATOM 132 O5' DG A 5 3.886 -8.542 -2.393 1.00 0.22 O ATOM 133 C5' DG A 5 3.219 -7.760 -1.413 1.00 0.25 C ATOM 134 C4' DG A 5 3.749 -6.297 -1.413 1.00 0.19 C ATOM 135 O4' DG A 5 5.185 -6.267 -1.203 1.00 0.28 O ATOM 136 C3' DG A 5 3.490 -5.662 -2.800 1.00 0.19 C ATOM 137 O3' DG A 5 3.243 -4.261 -2.622 1.00 0.17 O ATOM 138 C2' DG A 5 4.926 -5.835 -3.366 1.00 0.18 C ATOM 139 C1' DG A 5 5.841 -5.441 -2.173 1.00 0.26 C ATOM 140 N9 DG A 5 7.238 -5.824 -2.364 1.00 0.27 N ATOM 141 C8 DG A 5 8.136 -6.370 -1.458 1.00 0.31 C ATOM 142 N7 DG A 5 9.320 -6.614 -1.960 1.00 0.30 N ATOM 143 C5 DG A 5 9.190 -6.195 -3.288 1.00 0.25 C ATOM 144 C6 DG A 5 10.131 -6.199 -4.352 1.00 0.24 C ATOM 145 O6 DG A 5 11.299 -6.582 -4.316 1.00 0.29 O ATOM 146 N1 DG A 5 9.598 -5.699 -5.509 1.00 0.20 N ATOM 147 C2 DG A 5 8.298 -5.247 -5.622 1.00 0.19 C ATOM 148 N2 DG A 5 7.853 -4.788 -6.785 1.00 0.18 N ATOM 149 N3 DG A 5 7.430 -5.236 -4.655 1.00 0.20 N ATOM 150 C4 DG A 5 7.934 -5.721 -3.526 1.00 0.23 C ATOM 0 H5' DG A 5 3.364 -8.203 -0.428 1.00 0.25 H new ATOM 0 H5'' DG A 5 2.147 -7.762 -1.609 1.00 0.25 H new ATOM 0 H4' DG A 5 3.239 -5.757 -0.616 1.00 0.19 H new ATOM 0 H3' DG A 5 2.667 -6.070 -3.387 1.00 0.19 H new ATOM 0 H2' DG A 5 5.108 -6.860 -3.689 1.00 0.18 H new ATOM 0 H2'' DG A 5 5.096 -5.193 -4.230 1.00 0.18 H new ATOM 0 H1' DG A 5 5.929 -4.376 -1.957 1.00 0.26 H new ATOM 0 H8 DG A 5 7.880 -6.576 -0.429 1.00 0.31 H new ATOM 0 H1 DG A 5 10.195 -5.658 -6.335 1.00 0.20 H new ATOM 0 H21 DG A 5 6.893 -4.454 -6.868 1.00 0.18 H new ATOM 0 H22 DG A 5 8.471 -4.769 -7.596 1.00 0.18 H new ATOM 162 P DG A 6 2.828 -3.240 -3.839 1.00 0.17 P ATOM 163 OP1 DG A 6 1.598 -3.705 -4.527 1.00 0.20 O ATOM 164 OP2 DG A 6 4.061 -3.036 -4.629 1.00 0.22 O ATOM 165 O5' DG A 6 2.470 -1.867 -3.035 1.00 0.20 O ATOM 166 C5' DG A 6 3.385 -0.952 -2.379 1.00 0.22 C ATOM 167 C4' DG A 6 4.543 -1.579 -1.584 1.00 0.21 C ATOM 168 O4' DG A 6 5.438 -2.374 -2.418 1.00 0.25 O ATOM 169 C3' DG A 6 5.431 -0.502 -0.890 1.00 0.22 C ATOM 170 O3' DG A 6 5.871 -0.913 0.399 1.00 0.28 O ATOM 171 C2' DG A 6 6.585 -0.562 -1.862 1.00 0.21 C ATOM 172 C1' DG A 6 6.769 -2.053 -2.151 1.00 0.19 C ATOM 173 N9 DG A 6 7.775 -2.270 -3.185 1.00 0.17 N ATOM 174 C8 DG A 6 7.585 -2.312 -4.572 1.00 0.21 C ATOM 175 N7 DG A 6 8.682 -2.514 -5.218 1.00 0.22 N ATOM 176 C5 DG A 6 9.646 -2.616 -4.211 1.00 0.18 C ATOM 177 C6 DG A 6 11.025 -2.834 -4.326 1.00 0.17 C ATOM 178 O6 DG A 6 11.671 -2.966 -5.362 1.00 0.18 O ATOM 179 N1 DG A 6 11.629 -2.872 -3.102 1.00 0.16 N ATOM 180 C2 DG A 6 11.022 -2.707 -1.892 1.00 0.14 C ATOM 181 N2 DG A 6 11.797 -2.734 -0.792 1.00 0.18 N ATOM 182 N3 DG A 6 9.718 -2.499 -1.789 1.00 0.13 N ATOM 183 C4 DG A 6 9.102 -2.464 -2.974 1.00 0.15 C ATOM 0 H5' DG A 6 2.808 -0.324 -1.700 1.00 0.22 H new ATOM 0 H5'' DG A 6 3.810 -0.295 -3.138 1.00 0.22 H new ATOM 0 H4' DG A 6 4.050 -2.213 -0.847 1.00 0.21 H new ATOM 0 H3' DG A 6 4.954 0.463 -0.717 1.00 0.22 H new ATOM 0 H2' DG A 6 6.365 -0.006 -2.773 1.00 0.21 H new ATOM 0 H2'' DG A 6 7.488 -0.127 -1.433 1.00 0.21 H new ATOM 0 H1' DG A 6 7.187 -2.699 -1.379 1.00 0.19 H new ATOM 0 H8 DG A 6 6.624 -2.189 -5.049 1.00 0.21 H new ATOM 0 H1 DG A 6 12.635 -3.041 -3.092 1.00 0.16 H new ATOM 0 H21 DG A 6 11.378 -2.614 0.130 1.00 0.18 H new ATOM 0 H22 DG A 6 12.803 -2.874 -0.881 1.00 0.18 H new ATOM 195 P DT A 7 5.285 -0.462 1.837 1.00 0.26 P ATOM 196 OP1 DT A 7 4.435 -1.537 2.360 1.00 0.45 O ATOM 197 OP2 DT A 7 4.716 0.845 1.587 1.00 0.40 O ATOM 198 O5' DT A 7 6.572 -0.287 2.808 1.00 0.21 O ATOM 199 C5' DT A 7 7.343 -1.449 3.211 1.00 0.26 C ATOM 200 C4' DT A 7 8.789 -1.459 2.748 1.00 0.26 C ATOM 201 O4' DT A 7 9.474 -2.712 3.069 1.00 0.34 O ATOM 202 C3' DT A 7 8.830 -1.404 1.220 1.00 0.21 C ATOM 203 O3' DT A 7 10.131 -0.986 0.734 1.00 0.20 O ATOM 204 C2' DT A 7 8.828 -2.927 0.966 1.00 0.28 C ATOM 205 C1' DT A 7 9.877 -3.472 1.907 1.00 0.34 C ATOM 206 N1 DT A 7 9.863 -4.944 2.093 1.00 0.42 N ATOM 207 C2 DT A 7 10.531 -5.685 1.234 1.00 0.30 C ATOM 208 O2 DT A 7 11.111 -5.213 0.338 1.00 0.48 O ATOM 209 N3 DT A 7 10.533 -7.023 1.444 1.00 0.38 N ATOM 210 C4 DT A 7 9.944 -7.702 2.421 1.00 0.61 C ATOM 211 O4 DT A 7 10.075 -8.921 2.454 1.00 0.70 O ATOM 212 C5 DT A 7 9.257 -6.844 3.283 1.00 0.87 C ATOM 213 C7 DT A 7 8.558 -7.420 4.424 1.00 1.35 C ATOM 214 C6 DT A 7 9.234 -5.533 3.094 1.00 0.77 C ATOM 0 H5' DT A 7 6.850 -2.343 2.828 1.00 0.26 H new ATOM 0 H5'' DT A 7 7.326 -1.517 4.299 1.00 0.26 H new ATOM 0 H4' DT A 7 9.265 -0.612 3.242 1.00 0.26 H new ATOM 0 H3' DT A 7 8.068 -0.760 0.782 1.00 0.21 H new ATOM 0 H2' DT A 7 7.849 -3.361 1.169 1.00 0.28 H new ATOM 0 H2'' DT A 7 9.069 -3.156 -0.072 1.00 0.28 H new ATOM 0 H1' DT A 7 10.912 -3.361 1.584 1.00 0.34 H new ATOM 0 H3 DT A 7 11.053 -7.580 0.766 1.00 0.38 H new ATOM 0 H71 DT A 7 8.541 -6.699 5.242 1.00 1.35 H new ATOM 0 H72 DT A 7 7.536 -7.668 4.137 1.00 1.35 H new ATOM 0 H73 DT A 7 9.074 -8.324 4.748 1.00 1.35 H new ATOM 0 H6 DT A 7 8.678 -4.920 3.788 1.00 0.77 H new ATOM 227 P DG A 8 11.036 0.327 1.069 1.00 0.18 P ATOM 228 OP1 DG A 8 12.373 0.145 0.470 1.00 0.21 O ATOM 229 OP2 DG A 8 10.902 0.644 2.503 1.00 0.27 O ATOM 230 O5' DG A 8 10.331 1.504 0.203 1.00 0.23 O ATOM 231 C5' DG A 8 11.038 2.581 -0.498 1.00 0.22 C ATOM 232 C4' DG A 8 11.598 2.112 -1.853 1.00 0.21 C ATOM 233 O4' DG A 8 10.539 2.167 -2.873 1.00 0.28 O ATOM 234 C3' DG A 8 12.812 2.876 -2.491 1.00 0.20 C ATOM 235 O3' DG A 8 13.160 4.147 -1.938 1.00 0.19 O ATOM 236 C2' DG A 8 12.310 2.960 -3.999 1.00 0.27 C ATOM 237 C1' DG A 8 10.996 2.122 -4.268 1.00 0.26 C ATOM 238 N9 DG A 8 10.096 2.770 -5.230 1.00 0.32 N ATOM 239 C8 DG A 8 9.033 3.610 -5.014 1.00 0.43 C ATOM 240 N7 DG A 8 8.412 3.955 -6.097 1.00 0.50 N ATOM 241 C5 DG A 8 9.099 3.313 -7.100 1.00 0.42 C ATOM 242 C6 DG A 8 8.861 3.331 -8.486 1.00 0.45 C ATOM 243 O6 DG A 8 7.975 3.902 -9.106 1.00 0.54 O ATOM 244 N1 DG A 8 9.766 2.564 -9.180 1.00 0.40 N ATOM 245 C2 DG A 8 10.775 1.858 -8.634 1.00 0.34 C ATOM 246 N2 DG A 8 11.500 1.188 -9.503 1.00 0.40 N ATOM 247 N3 DG A 8 11.024 1.824 -7.325 1.00 0.30 N ATOM 248 C4 DG A 8 10.139 2.580 -6.603 1.00 0.32 C ATOM 0 H5' DG A 8 11.854 2.946 0.126 1.00 0.22 H new ATOM 0 H5'' DG A 8 10.359 3.419 -0.656 1.00 0.22 H new ATOM 0 H4' DG A 8 11.969 1.121 -1.591 1.00 0.21 H new ATOM 0 H3' DG A 8 13.759 2.365 -2.318 1.00 0.20 H new ATOM 0 H2' DG A 8 12.126 4.003 -4.256 1.00 0.27 H new ATOM 0 H2'' DG A 8 13.101 2.604 -4.659 1.00 0.27 H new ATOM 0 H1' DG A 8 11.088 1.137 -4.725 1.00 0.26 H new ATOM 0 H8 DG A 8 8.741 3.952 -4.032 1.00 0.43 H new ATOM 0 H1 DG A 8 9.665 2.526 -10.194 1.00 0.40 H new ATOM 0 H21 DG A 8 12.287 0.624 -9.183 1.00 0.40 H new ATOM 0 H22 DG A 8 11.275 1.233 -10.497 1.00 0.40 H new ATOM 260 P DT A 9 14.153 4.359 -0.707 1.00 0.22 P ATOM 261 OP1 DT A 9 13.755 3.410 0.343 1.00 0.29 O ATOM 262 OP2 DT A 9 14.210 5.803 -0.401 1.00 0.26 O ATOM 263 O5' DT A 9 15.638 3.884 -1.274 1.00 0.28 O ATOM 264 C5' DT A 9 16.772 3.978 -0.405 1.00 0.34 C ATOM 265 C4' DT A 9 17.939 3.063 -0.824 1.00 0.25 C ATOM 266 O4' DT A 9 17.525 1.699 -0.919 1.00 0.23 O ATOM 267 C3' DT A 9 18.585 3.345 -2.183 1.00 0.17 C ATOM 268 O3' DT A 9 19.978 2.928 -2.331 1.00 0.16 O ATOM 269 C2' DT A 9 17.612 2.542 -3.034 1.00 0.16 C ATOM 270 C1' DT A 9 17.317 1.243 -2.278 1.00 0.14 C ATOM 271 N1 DT A 9 15.939 0.692 -2.514 1.00 0.12 N ATOM 272 C2 DT A 9 15.064 0.544 -1.426 1.00 0.13 C ATOM 273 O2 DT A 9 15.308 0.760 -0.242 1.00 0.16 O ATOM 274 N3 DT A 9 13.812 0.100 -1.730 1.00 0.13 N ATOM 275 C4 DT A 9 13.309 -0.225 -2.961 1.00 0.13 C ATOM 276 O4 DT A 9 12.155 -0.583 -3.069 1.00 0.20 O ATOM 277 C5 DT A 9 14.244 -0.065 -4.019 1.00 0.14 C ATOM 278 C7 DT A 9 13.830 -0.394 -5.430 1.00 0.17 C ATOM 279 C6 DT A 9 15.491 0.370 -3.794 1.00 0.14 C ATOM 0 H5' DT A 9 16.466 3.723 0.609 1.00 0.34 H new ATOM 0 H5'' DT A 9 17.119 5.011 -0.383 1.00 0.34 H new ATOM 0 H4' DT A 9 18.662 3.268 -0.035 1.00 0.25 H new ATOM 0 H3' DT A 9 18.700 4.402 -2.424 1.00 0.17 H new ATOM 0 H2' DT A 9 16.694 3.105 -3.205 1.00 0.16 H new ATOM 0 H2'' DT A 9 18.042 2.329 -4.013 1.00 0.16 H new ATOM 0 H1' DT A 9 17.934 0.398 -2.583 1.00 0.14 H new ATOM 0 H3 DT A 9 13.171 -0.003 -0.943 1.00 0.13 H new ATOM 0 H71 DT A 9 14.382 0.236 -6.127 1.00 0.17 H new ATOM 0 H72 DT A 9 14.046 -1.442 -5.638 1.00 0.17 H new ATOM 0 H73 DT A 9 12.761 -0.214 -5.547 1.00 0.17 H new ATOM 0 H6 DT A 9 16.169 0.474 -4.628 1.00 0.14 H new ATOM 292 P DG A 10 20.661 1.462 -2.185 1.00 0.16 P ATOM 293 OP1 DG A 10 22.118 1.594 -2.384 1.00 0.19 O ATOM 294 OP2 DG A 10 19.930 0.471 -2.996 1.00 0.23 O ATOM 295 O5' DG A 10 20.431 1.107 -0.625 1.00 0.19 O ATOM 296 C5' DG A 10 20.707 -0.197 -0.104 1.00 0.26 C ATOM 297 C4' DG A 10 19.920 -0.564 1.151 1.00 0.21 C ATOM 298 O4' DG A 10 18.491 -0.465 0.894 1.00 0.20 O ATOM 299 C3' DG A 10 20.283 -2.045 1.475 1.00 0.22 C ATOM 300 O3' DG A 10 20.353 -2.523 2.823 1.00 0.23 O ATOM 301 C2' DG A 10 18.908 -2.587 0.995 1.00 0.19 C ATOM 302 C1' DG A 10 17.771 -1.606 1.394 1.00 0.20 C ATOM 303 N9 DG A 10 16.570 -1.978 0.566 1.00 0.19 N ATOM 304 C8 DG A 10 15.283 -2.307 0.920 1.00 0.22 C ATOM 305 N7 DG A 10 14.524 -2.629 -0.116 1.00 0.21 N ATOM 306 C5 DG A 10 15.382 -2.490 -1.216 1.00 0.18 C ATOM 307 C6 DG A 10 15.171 -2.695 -2.597 1.00 0.18 C ATOM 308 O6 DG A 10 14.171 -3.057 -3.189 1.00 0.20 O ATOM 309 N1 DG A 10 16.287 -2.446 -3.322 1.00 0.18 N ATOM 310 C2 DG A 10 17.487 -2.044 -2.811 1.00 0.16 C ATOM 311 N2 DG A 10 18.486 -1.787 -3.631 1.00 0.20 N ATOM 312 N3 DG A 10 17.711 -1.851 -1.528 1.00 0.16 N ATOM 313 C4 DG A 10 16.616 -2.095 -0.794 1.00 0.16 C ATOM 0 H5' DG A 10 21.772 -0.266 0.119 1.00 0.26 H new ATOM 0 H5'' DG A 10 20.495 -0.935 -0.878 1.00 0.26 H new ATOM 0 H4' DG A 10 20.163 0.105 1.976 1.00 0.21 H new ATOM 0 H3' DG A 10 21.270 -2.292 1.083 1.00 0.22 H new ATOM 0 H2' DG A 10 18.920 -2.720 -0.087 1.00 0.19 H new ATOM 0 H2'' DG A 10 18.723 -3.567 1.434 1.00 0.19 H new ATOM 0 H1' DG A 10 17.388 -1.531 2.412 1.00 0.20 H new ATOM 0 H8 DG A 10 14.927 -2.303 1.940 1.00 0.22 H new ATOM 0 H1 DG A 10 16.226 -2.569 -4.333 1.00 0.18 H new ATOM 0 H21 DG A 10 19.387 -1.486 -3.259 1.00 0.20 H new ATOM 0 H22 DG A 10 18.358 -1.889 -4.638 1.00 0.20 H new ATOM 325 P DG A 11 20.661 -4.100 3.107 1.00 0.19 P ATOM 326 OP1 DG A 11 21.120 -4.266 4.505 1.00 0.21 O ATOM 327 OP2 DG A 11 21.509 -4.530 1.977 1.00 0.23 O ATOM 328 O5' DG A 11 19.246 -4.787 2.958 1.00 0.26 O ATOM 329 C5' DG A 11 18.166 -4.370 3.778 1.00 0.26 C ATOM 330 C4' DG A 11 16.862 -4.917 3.215 1.00 0.24 C ATOM 331 O4' DG A 11 16.784 -4.582 1.819 1.00 0.25 O ATOM 332 C3' DG A 11 16.833 -6.474 3.252 1.00 0.25 C ATOM 333 O3' DG A 11 15.720 -7.111 3.875 1.00 0.27 O ATOM 334 C2' DG A 11 16.799 -6.785 1.784 1.00 0.34 C ATOM 335 C1' DG A 11 16.173 -5.614 1.096 1.00 0.32 C ATOM 336 N9 DG A 11 16.380 -5.572 -0.394 1.00 0.25 N ATOM 337 C8 DG A 11 17.521 -5.466 -1.174 1.00 0.27 C ATOM 338 N7 DG A 11 17.287 -5.504 -2.447 1.00 0.22 N ATOM 339 C5 DG A 11 15.906 -5.636 -2.525 1.00 0.17 C ATOM 340 C6 DG A 11 15.053 -5.724 -3.642 1.00 0.17 C ATOM 341 O6 DG A 11 15.325 -5.717 -4.817 1.00 0.18 O ATOM 342 N1 DG A 11 13.743 -5.836 -3.282 1.00 0.22 N ATOM 343 C2 DG A 11 13.292 -5.864 -1.993 1.00 0.26 C ATOM 344 N2 DG A 11 11.997 -5.954 -1.835 1.00 0.33 N ATOM 345 N3 DG A 11 14.086 -5.789 -0.929 1.00 0.25 N ATOM 346 C4 DG A 11 15.367 -5.674 -1.277 1.00 0.20 C ATOM 0 H5' DG A 11 18.128 -3.282 3.822 1.00 0.26 H new ATOM 0 H5'' DG A 11 18.312 -4.725 4.798 1.00 0.26 H new ATOM 0 H4' DG A 11 16.052 -4.496 3.811 1.00 0.24 H new ATOM 0 H3' DG A 11 17.666 -6.841 3.852 1.00 0.25 H new ATOM 0 H2' DG A 11 17.806 -6.960 1.405 1.00 0.34 H new ATOM 0 H2'' DG A 11 16.225 -7.693 1.597 1.00 0.34 H new ATOM 0 H1' DG A 11 15.083 -5.594 1.111 1.00 0.32 H new ATOM 0 H8 DG A 11 18.512 -5.361 -0.759 1.00 0.27 H new ATOM 0 H1 DG A 11 13.051 -5.904 -4.028 1.00 0.22 H new ATOM 0 H21 DG A 11 11.598 -5.979 -0.897 1.00 0.33 H new ATOM 0 H22 DG A 11 11.386 -5.999 -2.650 1.00 0.33 H new ATOM 358 P DT A 12 15.918 -8.072 5.124 1.00 0.30 P ATOM 359 OP1 DT A 12 14.744 -8.961 5.176 1.00 0.39 O ATOM 360 OP2 DT A 12 16.263 -7.299 6.326 1.00 0.44 O ATOM 361 O5' DT A 12 17.259 -8.978 4.798 1.00 0.23 O ATOM 362 C5' DT A 12 17.327 -10.108 3.917 1.00 0.26 C ATOM 363 C4' DT A 12 18.756 -10.438 3.469 1.00 0.27 C ATOM 364 O4' DT A 12 19.684 -10.748 4.567 1.00 0.27 O ATOM 365 C3' DT A 12 19.452 -9.337 2.586 1.00 0.27 C ATOM 366 O3' DT A 12 19.180 -9.510 1.213 1.00 0.31 O ATOM 367 C2' DT A 12 20.916 -9.725 2.856 1.00 0.32 C ATOM 368 C1' DT A 12 20.862 -9.939 4.392 1.00 0.28 C ATOM 369 N1 DT A 12 20.488 -8.699 5.189 1.00 0.23 N ATOM 370 C2 DT A 12 20.934 -7.436 4.765 1.00 0.24 C ATOM 371 O2 DT A 12 21.613 -7.275 3.759 1.00 0.33 O ATOM 372 N3 DT A 12 20.566 -6.369 5.549 1.00 0.23 N ATOM 373 C4 DT A 12 19.810 -6.425 6.691 1.00 0.26 C ATOM 374 O4 DT A 12 19.536 -5.403 7.311 1.00 0.34 O ATOM 375 C5 DT A 12 19.383 -7.737 7.074 1.00 0.28 C ATOM 376 C7 DT A 12 18.538 -7.839 8.334 1.00 0.39 C ATOM 377 C6 DT A 12 19.712 -8.816 6.351 1.00 0.25 C ATOM 0 H5' DT A 12 16.713 -9.913 3.038 1.00 0.26 H new ATOM 0 H5'' DT A 12 16.900 -10.977 4.417 1.00 0.26 H new ATOM 0 H4' DT A 12 18.577 -11.328 2.865 1.00 0.27 H new ATOM 0 H3' DT A 12 19.151 -8.314 2.812 1.00 0.27 H new ATOM 0 H2' DT A 12 21.213 -10.627 2.320 1.00 0.32 H new ATOM 0 H2'' DT A 12 21.615 -8.939 2.569 1.00 0.32 H new ATOM 0 H1' DT A 12 21.834 -10.309 4.717 1.00 0.28 H new ATOM 0 H3 DT A 12 20.886 -5.447 5.253 1.00 0.23 H new ATOM 0 H71 DT A 12 17.861 -8.689 8.250 1.00 0.39 H new ATOM 0 H72 DT A 12 19.188 -7.977 9.198 1.00 0.39 H new ATOM 0 H73 DT A 12 17.958 -6.924 8.458 1.00 0.39 H new ATOM 0 H6 DT A 12 19.374 -9.791 6.668 1.00 0.25 H new ATOM 390 P DT A 13 19.290 -8.417 0.096 1.00 0.20 P ATOM 391 OP1 DT A 13 19.569 -7.133 0.732 1.00 0.26 O ATOM 392 OP2 DT A 13 18.080 -8.513 -0.707 1.00 0.27 O ATOM 393 O5' DT A 13 20.543 -8.850 -0.758 1.00 0.25 O ATOM 394 C5' DT A 13 20.785 -10.136 -1.297 1.00 0.25 C ATOM 395 C4' DT A 13 20.018 -10.498 -2.558 1.00 0.20 C ATOM 396 O4' DT A 13 18.591 -10.688 -2.417 1.00 0.22 O ATOM 397 C3' DT A 13 20.236 -9.535 -3.746 1.00 0.21 C ATOM 398 O3' DT A 13 20.588 -10.273 -4.908 1.00 0.25 O ATOM 399 C2' DT A 13 18.793 -9.026 -3.855 1.00 0.23 C ATOM 400 C1' DT A 13 17.887 -10.220 -3.594 1.00 0.18 C ATOM 401 N1 DT A 13 16.462 -9.863 -3.393 1.00 0.23 N ATOM 402 C2 DT A 13 15.710 -9.580 -4.529 1.00 0.26 C ATOM 403 O2 DT A 13 16.124 -9.598 -5.671 1.00 0.26 O ATOM 404 N3 DT A 13 14.408 -9.256 -4.327 1.00 0.36 N ATOM 405 C4 DT A 13 13.788 -9.187 -3.108 1.00 0.44 C ATOM 406 O4 DT A 13 12.608 -8.898 -3.081 1.00 0.54 O ATOM 407 C5 DT A 13 14.612 -9.483 -1.963 1.00 0.41 C ATOM 408 C7 DT A 13 14.046 -9.395 -0.554 1.00 0.56 C ATOM 409 C6 DT A 13 15.900 -9.811 -2.135 1.00 0.31 C ATOM 0 H5' DT A 13 20.552 -10.876 -0.532 1.00 0.25 H new ATOM 0 H5'' DT A 13 21.851 -10.222 -1.509 1.00 0.25 H new ATOM 0 H4' DT A 13 20.470 -11.467 -2.768 1.00 0.20 H new ATOM 0 H3' DT A 13 21.013 -8.779 -3.634 1.00 0.21 H new ATOM 0 H2' DT A 13 18.607 -8.233 -3.131 1.00 0.23 H new ATOM 0 H2'' DT A 13 18.604 -8.606 -4.843 1.00 0.23 H new ATOM 0 H1' DT A 13 17.763 -10.947 -4.397 1.00 0.18 H new ATOM 0 H3 DT A 13 13.845 -9.047 -5.151 1.00 0.36 H new ATOM 0 H71 DT A 13 14.558 -10.110 0.089 1.00 0.56 H new ATOM 0 H72 DT A 13 14.193 -8.387 -0.165 1.00 0.56 H new ATOM 0 H73 DT A 13 12.981 -9.624 -0.575 1.00 0.56 H new ATOM 0 H6 DT A 13 16.509 -10.039 -1.273 1.00 0.31 H new ATOM 422 P DG A 14 22.089 -10.636 -5.281 1.00 0.24 P ATOM 423 OP1 DG A 14 22.113 -11.969 -5.890 1.00 0.35 O ATOM 424 OP2 DG A 14 22.966 -10.337 -4.147 1.00 0.38 O ATOM 425 O5' DG A 14 22.470 -9.577 -6.439 1.00 0.32 O ATOM 426 C5' DG A 14 23.353 -9.870 -7.545 1.00 0.23 C ATOM 427 C4' DG A 14 23.419 -8.730 -8.519 1.00 0.19 C ATOM 428 O4' DG A 14 22.109 -8.342 -9.011 1.00 0.19 O ATOM 429 C3' DG A 14 24.026 -7.483 -7.888 1.00 0.19 C ATOM 430 O3' DG A 14 24.653 -6.666 -8.881 1.00 0.20 O ATOM 431 C2' DG A 14 22.616 -6.836 -7.516 1.00 0.19 C ATOM 432 C1' DG A 14 21.839 -6.951 -8.788 1.00 0.18 C ATOM 433 N9 DG A 14 20.385 -6.637 -8.714 1.00 0.19 N ATOM 434 C8 DG A 14 19.444 -6.549 -9.712 1.00 0.22 C ATOM 435 N7 DG A 14 18.247 -6.268 -9.289 1.00 0.22 N ATOM 436 C5 DG A 14 18.396 -6.162 -7.926 1.00 0.18 C ATOM 437 C6 DG A 14 17.429 -5.873 -6.957 1.00 0.18 C ATOM 438 O6 DG A 14 16.247 -5.622 -7.151 1.00 0.22 O ATOM 439 N1 DG A 14 17.940 -5.846 -5.686 1.00 0.18 N ATOM 440 C2 DG A 14 19.256 -6.069 -5.373 1.00 0.17 C ATOM 441 N2 DG A 14 19.578 -5.937 -4.099 1.00 0.22 N ATOM 442 N3 DG A 14 20.179 -6.347 -6.286 1.00 0.17 N ATOM 443 C4 DG A 14 19.676 -6.377 -7.548 1.00 0.16 C ATOM 0 H5' DG A 14 23.008 -10.768 -8.058 1.00 0.23 H new ATOM 0 H5'' DG A 14 24.353 -10.083 -7.166 1.00 0.23 H new ATOM 0 H4' DG A 14 24.038 -9.098 -9.337 1.00 0.19 H new ATOM 0 H3' DG A 14 24.776 -7.624 -7.110 1.00 0.19 H new ATOM 0 H2' DG A 14 22.131 -7.370 -6.699 1.00 0.19 H new ATOM 0 H2'' DG A 14 22.720 -5.798 -7.201 1.00 0.19 H new ATOM 0 H1' DG A 14 22.119 -6.240 -9.565 1.00 0.18 H new ATOM 0 H8 DG A 14 19.678 -6.700 -10.755 1.00 0.22 H new ATOM 0 H1 DG A 14 17.297 -5.646 -4.920 1.00 0.18 H new ATOM 0 H21 DG A 14 20.541 -6.089 -3.798 1.00 0.22 H new ATOM 0 H22 DG A 14 18.864 -5.683 -3.416 1.00 0.22 H new ATOM 455 P DG A 15 25.385 -5.269 -8.550 1.00 0.29 P ATOM 456 OP1 DG A 15 26.610 -5.177 -9.360 1.00 0.41 O ATOM 457 OP2 DG A 15 25.446 -5.078 -7.089 1.00 0.30 O ATOM 458 O5' DG A 15 24.324 -4.218 -9.157 1.00 0.28 O ATOM 459 C5' DG A 15 23.899 -4.343 -10.528 1.00 0.30 C ATOM 460 C4' DG A 15 22.722 -3.470 -10.908 1.00 0.28 C ATOM 461 O4' DG A 15 21.600 -3.752 -10.005 1.00 0.30 O ATOM 462 C3' DG A 15 23.038 -1.955 -10.759 1.00 0.25 C ATOM 463 O3' DG A 15 22.093 -1.173 -11.498 1.00 0.32 O ATOM 464 C2' DG A 15 22.703 -1.853 -9.247 1.00 0.24 C ATOM 465 C1' DG A 15 21.333 -2.601 -9.176 1.00 0.23 C ATOM 466 N9 DG A 15 20.431 -2.774 -8.004 1.00 0.19 N ATOM 467 C8 DG A 15 20.599 -2.994 -6.646 1.00 0.20 C ATOM 468 N7 DG A 15 19.490 -3.055 -5.987 1.00 0.22 N ATOM 469 C5 DG A 15 18.517 -2.867 -6.939 1.00 0.19 C ATOM 470 C6 DG A 15 17.103 -2.827 -6.805 1.00 0.21 C ATOM 471 O6 DG A 15 16.416 -2.961 -5.796 1.00 0.24 O ATOM 472 N1 DG A 15 16.478 -2.617 -8.014 1.00 0.21 N ATOM 473 C2 DG A 15 17.118 -2.457 -9.205 1.00 0.22 C ATOM 474 N2 DG A 15 16.393 -2.285 -10.282 1.00 0.25 N ATOM 475 N3 DG A 15 18.432 -2.485 -9.338 1.00 0.21 N ATOM 476 C4 DG A 15 19.075 -2.696 -8.168 1.00 0.18 C ATOM 0 H5' DG A 15 23.639 -5.384 -10.720 1.00 0.30 H new ATOM 0 H5'' DG A 15 24.739 -4.100 -11.178 1.00 0.30 H new ATOM 0 H4' DG A 15 22.488 -3.692 -11.949 1.00 0.28 H new ATOM 0 H3' DG A 15 24.023 -1.624 -11.090 1.00 0.25 H new ATOM 0 H2' DG A 15 23.462 -2.329 -8.626 1.00 0.24 H new ATOM 0 H2'' DG A 15 22.622 -0.818 -8.914 1.00 0.24 H new ATOM 0 HO3' DG A 15 22.303 -0.221 -11.394 1.00 0.32 H new ATOM 0 H1' DG A 15 20.571 -1.874 -9.456 1.00 0.23 H new ATOM 0 H8 DG A 15 21.568 -3.104 -6.182 1.00 0.20 H new ATOM 0 H1 DG A 15 15.459 -2.578 -8.017 1.00 0.21 H new ATOM 0 H21 DG A 15 16.846 -2.163 -11.188 1.00 0.25 H new ATOM 0 H22 DG A 15 15.375 -2.273 -10.215 1.00 0.25 H new TER 489 DG A 15