USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 DT C7 :methyl -30:sc= -0.817 (180deg=0) USER MOD Set 1.2: A 4 DT C7 :methyl -30:sc= -3.88! (180deg=-3.73!) USER MOD Single : A 1 DG O5' : rot 49:sc= 1.26 USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00233 (180deg=-0.00233) USER MOD Single : A 9 DT C7 :methyl 150:sc=-0.00992 (180deg=-0.00992) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.0254 (180deg=-1.59) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.384 8.232 -0.072 1.00 0.00 O ATOM 2 C5' DG A 1 -2.899 9.319 0.710 1.00 0.00 C ATOM 3 C4' DG A 1 -2.334 9.384 2.145 1.00 0.00 C ATOM 4 O4' DG A 1 -2.725 8.273 2.968 1.00 0.00 O ATOM 5 C3' DG A 1 -0.829 9.450 2.223 1.00 0.00 C ATOM 6 O3' DG A 1 -0.376 10.265 3.313 1.00 0.00 O ATOM 7 C2' DG A 1 -0.474 8.014 2.400 1.00 0.00 C ATOM 8 C1' DG A 1 -1.519 7.597 3.365 1.00 0.00 C ATOM 9 N9 DG A 1 -1.676 6.152 3.468 1.00 0.00 N ATOM 10 C8 DG A 1 -1.429 5.373 4.528 1.00 0.00 C ATOM 11 N7 DG A 1 -1.661 4.099 4.382 1.00 0.00 N ATOM 12 C5 DG A 1 -2.111 4.042 3.061 1.00 0.00 C ATOM 13 C6 DG A 1 -2.530 2.935 2.276 1.00 0.00 C ATOM 14 O6 DG A 1 -2.597 1.752 2.596 1.00 0.00 O ATOM 15 N1 DG A 1 -2.900 3.330 0.999 1.00 0.00 N ATOM 16 C2 DG A 1 -2.870 4.630 0.536 1.00 0.00 C ATOM 17 N2 DG A 1 -3.251 4.862 -0.713 1.00 0.00 N ATOM 18 N3 DG A 1 -2.479 5.665 1.268 1.00 0.00 N ATOM 19 C4 DG A 1 -2.118 5.297 2.507 1.00 0.00 C ATOM 0 H5' DG A 1 -3.984 9.233 0.762 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.677 10.257 0.200 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.767 10.314 2.513 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.362 9.912 1.353 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.526 7.456 1.465 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.533 7.881 2.796 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.446 7.400 0.443 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.234 7.881 4.378 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.057 5.779 5.457 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.218 2.606 0.354 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.239 5.813 -1.082 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.556 4.089 -1.305 1.00 0.00 H new ATOM 32 P DG A 2 0.940 11.187 3.163 1.00 0.00 P ATOM 33 OP1 DG A 2 1.060 12.014 4.385 1.00 0.00 O ATOM 34 OP2 DG A 2 0.896 11.840 1.836 1.00 0.00 O ATOM 35 O5' DG A 2 2.139 10.108 3.149 1.00 0.00 O ATOM 36 C5' DG A 2 2.671 9.548 4.355 1.00 0.00 C ATOM 37 C4' DG A 2 3.536 8.323 4.076 1.00 0.00 C ATOM 38 O4' DG A 2 2.778 7.225 3.589 1.00 0.00 O ATOM 39 C3' DG A 2 4.718 8.570 3.148 1.00 0.00 C ATOM 40 O3' DG A 2 5.901 8.473 3.965 1.00 0.00 O ATOM 41 C2' DG A 2 4.480 7.479 2.100 1.00 0.00 C ATOM 42 C1' DG A 2 3.679 6.429 2.828 1.00 0.00 C ATOM 43 N9 DG A 2 2.824 5.611 1.982 1.00 0.00 N ATOM 44 C8 DG A 2 2.017 6.019 0.991 1.00 0.00 C ATOM 45 N7 DG A 2 1.328 5.091 0.398 1.00 0.00 N ATOM 46 C5 DG A 2 1.732 3.944 1.081 1.00 0.00 C ATOM 47 C6 DG A 2 1.346 2.592 0.911 1.00 0.00 C ATOM 48 O6 DG A 2 0.545 2.118 0.113 1.00 0.00 O ATOM 49 N1 DG A 2 1.995 1.762 1.806 1.00 0.00 N ATOM 50 C2 DG A 2 2.910 2.169 2.753 1.00 0.00 C ATOM 51 N2 DG A 2 3.447 1.242 3.544 1.00 0.00 N ATOM 52 N3 DG A 2 3.273 3.439 2.914 1.00 0.00 N ATOM 53 C4 DG A 2 2.650 4.262 2.048 1.00 0.00 C ATOM 0 H5' DG A 2 1.852 9.271 5.020 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.263 10.301 4.875 1.00 0.00 H new ATOM 0 H4' DG A 2 3.949 8.078 5.055 1.00 0.00 H new ATOM 0 H3' DG A 2 4.831 9.531 2.646 1.00 0.00 H new ATOM 0 H2' DG A 2 3.937 7.867 1.239 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.421 7.074 1.727 1.00 0.00 H new ATOM 0 H1' DG A 2 4.355 5.749 3.347 1.00 0.00 H new ATOM 0 H8 DG A 2 1.944 7.057 0.703 1.00 0.00 H new ATOM 0 H1 DG A 2 1.779 0.766 1.762 1.00 0.00 H new ATOM 0 H21 DG A 2 4.127 1.510 4.255 1.00 0.00 H new ATOM 0 H22 DG A 2 3.178 0.264 3.439 1.00 0.00 H new ATOM 65 P DT A 3 7.140 7.448 3.808 1.00 0.00 P ATOM 66 OP1 DT A 3 6.610 6.077 3.639 1.00 0.00 O ATOM 67 OP2 DT A 3 8.113 7.733 4.887 1.00 0.00 O ATOM 68 O5' DT A 3 7.773 7.925 2.409 1.00 0.00 O ATOM 69 C5' DT A 3 8.254 9.261 2.186 1.00 0.00 C ATOM 70 C4' DT A 3 8.391 9.526 0.687 1.00 0.00 C ATOM 71 O4' DT A 3 9.276 8.516 0.168 1.00 0.00 O ATOM 72 C3' DT A 3 7.033 9.374 -0.026 1.00 0.00 C ATOM 73 O3' DT A 3 6.536 10.506 -0.748 1.00 0.00 O ATOM 74 C2' DT A 3 7.268 8.247 -0.992 1.00 0.00 C ATOM 75 C1' DT A 3 8.752 8.019 -1.067 1.00 0.00 C ATOM 76 N1 DT A 3 8.989 6.555 -1.195 1.00 0.00 N ATOM 77 C2 DT A 3 9.445 6.060 -2.411 1.00 0.00 C ATOM 78 O2 DT A 3 9.665 6.773 -3.388 1.00 0.00 O ATOM 79 N3 DT A 3 9.644 4.690 -2.470 1.00 0.00 N ATOM 80 C4 DT A 3 9.431 3.786 -1.444 1.00 0.00 C ATOM 81 O4 DT A 3 9.643 2.588 -1.621 1.00 0.00 O ATOM 82 C5 DT A 3 8.960 4.387 -0.213 1.00 0.00 C ATOM 83 C7 DT A 3 8.701 3.496 1.010 1.00 0.00 C ATOM 84 C6 DT A 3 8.755 5.719 -0.129 1.00 0.00 C ATOM 0 H5' DT A 3 9.218 9.395 2.677 1.00 0.00 H new ATOM 0 H5'' DT A 3 7.567 9.982 2.629 1.00 0.00 H new ATOM 0 H4' DT A 3 8.761 10.538 0.523 1.00 0.00 H new ATOM 0 H3' DT A 3 6.267 9.219 0.734 1.00 0.00 H new ATOM 0 H2' DT A 3 6.758 7.343 -0.659 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.868 8.495 -1.975 1.00 0.00 H new ATOM 0 H1' DT A 3 9.225 8.515 -1.914 1.00 0.00 H new ATOM 0 H3 DT A 3 9.980 4.311 -3.355 1.00 0.00 H new ATOM 0 H71 DT A 3 8.401 2.502 0.679 1.00 0.00 H new ATOM 0 H72 DT A 3 9.611 3.421 1.605 1.00 0.00 H new ATOM 0 H73 DT A 3 7.906 3.931 1.616 1.00 0.00 H new ATOM 0 H6 DT A 3 8.398 6.139 0.800 1.00 0.00 H new ATOM 97 P DT A 4 4.935 10.677 -0.959 1.00 0.00 P ATOM 98 OP1 DT A 4 4.724 11.846 -1.843 1.00 0.00 O ATOM 99 OP2 DT A 4 4.301 10.655 0.379 1.00 0.00 O ATOM 100 O5' DT A 4 4.453 9.339 -1.753 1.00 0.00 O ATOM 101 C5' DT A 4 4.484 9.221 -3.185 1.00 0.00 C ATOM 102 C4' DT A 4 3.698 8.006 -3.736 1.00 0.00 C ATOM 103 O4' DT A 4 4.256 6.709 -3.604 1.00 0.00 O ATOM 104 C3' DT A 4 2.215 7.936 -3.395 1.00 0.00 C ATOM 105 O3' DT A 4 1.337 8.237 -4.492 1.00 0.00 O ATOM 106 C2' DT A 4 2.084 6.509 -2.987 1.00 0.00 C ATOM 107 C1' DT A 4 3.165 5.765 -3.734 1.00 0.00 C ATOM 108 N1 DT A 4 3.535 4.576 -2.953 1.00 0.00 N ATOM 109 C2 DT A 4 3.166 3.289 -3.306 1.00 0.00 C ATOM 110 O2 DT A 4 2.519 3.022 -4.317 1.00 0.00 O ATOM 111 N3 DT A 4 3.589 2.304 -2.426 1.00 0.00 N ATOM 112 C4 DT A 4 4.324 2.507 -1.262 1.00 0.00 C ATOM 113 O4 DT A 4 4.632 1.555 -0.551 1.00 0.00 O ATOM 114 C5 DT A 4 4.652 3.892 -0.997 1.00 0.00 C ATOM 115 C7 DT A 4 5.459 4.272 0.244 1.00 0.00 C ATOM 116 C6 DT A 4 4.247 4.844 -1.846 1.00 0.00 C ATOM 0 H5' DT A 4 5.522 9.147 -3.510 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.077 10.132 -3.623 1.00 0.00 H new ATOM 0 H4' DT A 4 3.811 8.280 -4.785 1.00 0.00 H new ATOM 0 H3' DT A 4 1.927 8.673 -2.646 1.00 0.00 H new ATOM 0 H2' DT A 4 2.206 6.398 -1.910 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.097 6.120 -3.238 1.00 0.00 H new ATOM 0 H1' DT A 4 2.903 5.460 -4.747 1.00 0.00 H new ATOM 0 H3 DT A 4 3.338 1.342 -2.653 1.00 0.00 H new ATOM 0 H71 DT A 4 5.258 3.557 1.042 1.00 0.00 H new ATOM 0 H72 DT A 4 6.522 4.259 0.005 1.00 0.00 H new ATOM 0 H73 DT A 4 5.173 5.272 0.572 1.00 0.00 H new ATOM 0 H6 DT A 4 4.503 5.871 -1.632 1.00 0.00 H new ATOM 129 P DG A 5 -0.143 8.861 -4.279 1.00 0.00 P ATOM 130 OP1 DG A 5 -0.163 10.155 -4.997 1.00 0.00 O ATOM 131 OP2 DG A 5 -0.474 8.821 -2.837 1.00 0.00 O ATOM 132 O5' DG A 5 -1.154 7.846 -5.041 1.00 0.00 O ATOM 133 C5' DG A 5 -1.526 8.075 -6.409 1.00 0.00 C ATOM 134 C4' DG A 5 -2.460 7.021 -7.003 1.00 0.00 C ATOM 135 O4' DG A 5 -1.919 5.689 -6.921 1.00 0.00 O ATOM 136 C3' DG A 5 -3.853 6.893 -6.409 1.00 0.00 C ATOM 137 O3' DG A 5 -4.674 6.631 -7.557 1.00 0.00 O ATOM 138 C2' DG A 5 -3.667 5.821 -5.406 1.00 0.00 C ATOM 139 C1' DG A 5 -2.849 4.857 -6.199 1.00 0.00 C ATOM 140 N9 DG A 5 -2.095 3.850 -5.464 1.00 0.00 N ATOM 141 C8 DG A 5 -1.832 2.603 -5.873 1.00 0.00 C ATOM 142 N7 DG A 5 -1.095 1.865 -5.088 1.00 0.00 N ATOM 143 C5 DG A 5 -0.858 2.753 -4.033 1.00 0.00 C ATOM 144 C6 DG A 5 -0.120 2.572 -2.844 1.00 0.00 C ATOM 145 O6 DG A 5 0.488 1.575 -2.483 1.00 0.00 O ATOM 146 N1 DG A 5 -0.129 3.706 -2.054 1.00 0.00 N ATOM 147 C2 DG A 5 -0.774 4.885 -2.364 1.00 0.00 C ATOM 148 N2 DG A 5 -0.678 5.867 -1.471 1.00 0.00 N ATOM 149 N3 DG A 5 -1.472 5.064 -3.480 1.00 0.00 N ATOM 150 C4 DG A 5 -1.468 3.963 -4.261 1.00 0.00 C ATOM 0 H5' DG A 5 -0.621 8.121 -7.014 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.008 9.050 -6.482 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.545 7.409 -8.018 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.329 7.725 -5.890 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.148 6.172 -4.514 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.613 5.391 -5.076 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.537 4.261 -6.798 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.212 2.224 -6.810 1.00 0.00 H new ATOM 0 H1 DG A 5 0.382 3.668 -1.172 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.135 6.762 -1.646 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.148 5.724 -0.611 1.00 0.00 H new ATOM 162 P DG A 6 -6.276 6.513 -7.579 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.740 6.613 -8.982 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.853 7.389 -6.537 1.00 0.00 O ATOM 165 O5' DG A 6 -6.414 5.003 -7.100 1.00 0.00 O ATOM 166 C5' DG A 6 -6.082 3.930 -7.976 1.00 0.00 C ATOM 167 C4' DG A 6 -6.097 2.638 -7.168 1.00 0.00 C ATOM 168 O4' DG A 6 -4.985 2.382 -6.308 1.00 0.00 O ATOM 169 C3' DG A 6 -7.387 2.273 -6.457 1.00 0.00 C ATOM 170 O3' DG A 6 -7.877 1.099 -7.035 1.00 0.00 O ATOM 171 C2' DG A 6 -6.869 2.050 -5.094 1.00 0.00 C ATOM 172 C1' DG A 6 -5.503 1.509 -5.296 1.00 0.00 C ATOM 173 N9 DG A 6 -4.766 1.575 -4.061 1.00 0.00 N ATOM 174 C8 DG A 6 -4.511 2.681 -3.397 1.00 0.00 C ATOM 175 N7 DG A 6 -3.869 2.566 -2.282 1.00 0.00 N ATOM 176 C5 DG A 6 -3.683 1.190 -2.220 1.00 0.00 C ATOM 177 C6 DG A 6 -3.046 0.417 -1.236 1.00 0.00 C ATOM 178 O6 DG A 6 -2.516 0.801 -0.197 1.00 0.00 O ATOM 179 N1 DG A 6 -3.075 -0.929 -1.558 1.00 0.00 N ATOM 180 C2 DG A 6 -3.650 -1.473 -2.694 1.00 0.00 C ATOM 181 N2 DG A 6 -3.581 -2.785 -2.907 1.00 0.00 N ATOM 182 N3 DG A 6 -4.257 -0.738 -3.618 1.00 0.00 N ATOM 183 C4 DG A 6 -4.232 0.574 -3.315 1.00 0.00 C ATOM 0 H5' DG A 6 -5.099 4.090 -8.419 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.797 3.874 -8.797 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.999 1.964 -8.019 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.204 2.994 -6.497 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.847 2.977 -4.522 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.495 1.349 -4.542 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.454 0.461 -5.592 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.825 3.645 -3.768 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.635 -1.575 -0.903 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.004 -3.189 -3.743 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.106 -3.387 -2.234 1.00 0.00 H new ATOM 195 P DT A 7 -8.737 1.058 -8.385 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.844 0.903 -9.553 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.833 2.059 -8.364 1.00 0.00 O ATOM 198 O5' DT A 7 -9.253 -0.347 -7.880 1.00 0.00 O ATOM 199 C5' DT A 7 -10.432 -0.449 -7.098 1.00 0.00 C ATOM 200 C4' DT A 7 -10.263 -1.468 -6.004 1.00 0.00 C ATOM 201 O4' DT A 7 -9.815 -2.726 -6.506 1.00 0.00 O ATOM 202 C3' DT A 7 -9.510 -1.083 -4.734 1.00 0.00 C ATOM 203 O3' DT A 7 -10.263 -1.747 -3.720 1.00 0.00 O ATOM 204 C2' DT A 7 -8.249 -1.819 -5.043 1.00 0.00 C ATOM 205 C1' DT A 7 -8.656 -3.085 -5.762 1.00 0.00 C ATOM 206 N1 DT A 7 -7.579 -3.362 -6.721 1.00 0.00 N ATOM 207 C2 DT A 7 -6.719 -4.413 -6.475 1.00 0.00 C ATOM 208 O2 DT A 7 -6.807 -5.136 -5.484 1.00 0.00 O ATOM 209 N3 DT A 7 -5.734 -4.600 -7.419 1.00 0.00 N ATOM 210 C4 DT A 7 -5.541 -3.846 -8.564 1.00 0.00 C ATOM 211 O4 DT A 7 -4.619 -4.122 -9.329 1.00 0.00 O ATOM 212 C5 DT A 7 -6.490 -2.763 -8.745 1.00 0.00 C ATOM 213 C7 DT A 7 -6.347 -1.868 -9.993 1.00 0.00 C ATOM 214 C6 DT A 7 -7.466 -2.562 -7.822 1.00 0.00 C ATOM 0 H5' DT A 7 -11.272 -0.728 -7.734 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.670 0.522 -6.663 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.288 -1.538 -5.640 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.358 -0.041 -4.451 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.590 -1.214 -5.665 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.701 -2.051 -4.130 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.833 -3.934 -5.102 1.00 0.00 H new ATOM 0 H3 DT A 7 -5.083 -5.369 -7.259 1.00 0.00 H new ATOM 0 H71 DT A 7 -7.328 -1.496 -10.288 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.693 -1.026 -9.764 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.918 -2.449 -10.810 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.167 -1.753 -7.962 1.00 0.00 H new ATOM 227 P DG A 8 -10.411 -1.265 -2.206 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.254 -2.261 -1.506 1.00 0.00 O ATOM 229 OP2 DG A 8 -10.801 0.162 -2.200 1.00 0.00 O ATOM 230 O5' DG A 8 -8.914 -1.373 -1.642 1.00 0.00 O ATOM 231 C5' DG A 8 -8.311 -2.515 -1.015 1.00 0.00 C ATOM 232 C4' DG A 8 -7.327 -1.920 0.029 1.00 0.00 C ATOM 233 O4' DG A 8 -6.217 -1.061 -0.326 1.00 0.00 O ATOM 234 C3' DG A 8 -7.934 -1.496 1.341 1.00 0.00 C ATOM 235 O3' DG A 8 -7.412 -2.263 2.423 1.00 0.00 O ATOM 236 C2' DG A 8 -7.503 -0.094 1.236 1.00 0.00 C ATOM 237 C1' DG A 8 -6.139 0.022 0.628 1.00 0.00 C ATOM 238 N9 DG A 8 -6.322 1.232 -0.169 1.00 0.00 N ATOM 239 C8 DG A 8 -6.726 1.270 -1.449 1.00 0.00 C ATOM 240 N7 DG A 8 -6.881 2.432 -1.981 1.00 0.00 N ATOM 241 C5 DG A 8 -6.538 3.265 -0.920 1.00 0.00 C ATOM 242 C6 DG A 8 -6.508 4.672 -0.870 1.00 0.00 C ATOM 243 O6 DG A 8 -6.777 5.465 -1.766 1.00 0.00 O ATOM 244 N1 DG A 8 -6.111 5.122 0.375 1.00 0.00 N ATOM 245 C2 DG A 8 -5.780 4.316 1.443 1.00 0.00 C ATOM 246 N2 DG A 8 -5.417 4.933 2.560 1.00 0.00 N ATOM 247 N3 DG A 8 -5.807 2.985 1.406 1.00 0.00 N ATOM 248 C4 DG A 8 -6.194 2.537 0.194 1.00 0.00 C ATOM 0 H5' DG A 8 -7.788 -3.136 -1.743 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.061 -3.146 -0.538 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.804 -2.872 0.119 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.000 -1.630 1.525 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.219 0.463 0.632 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.500 0.361 2.227 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.260 0.021 1.273 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.913 0.365 -2.008 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.059 6.131 0.515 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.161 4.388 3.383 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.394 5.952 2.595 1.00 0.00 H new ATOM 260 P DT A 9 -7.874 -3.808 2.623 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.651 -4.263 1.447 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.446 -3.960 3.980 1.00 0.00 O ATOM 263 O5' DT A 9 -6.444 -4.531 2.587 1.00 0.00 O ATOM 264 C5' DT A 9 -5.744 -5.144 1.483 1.00 0.00 C ATOM 265 C4' DT A 9 -4.343 -5.623 2.139 1.00 0.00 C ATOM 266 O4' DT A 9 -3.664 -4.542 2.849 1.00 0.00 O ATOM 267 C3' DT A 9 -4.295 -6.764 3.211 1.00 0.00 C ATOM 268 O3' DT A 9 -3.088 -7.541 3.136 1.00 0.00 O ATOM 269 C2' DT A 9 -4.375 -5.996 4.513 1.00 0.00 C ATOM 270 C1' DT A 9 -3.441 -4.828 4.266 1.00 0.00 C ATOM 271 N1 DT A 9 -3.718 -3.647 5.119 1.00 0.00 N ATOM 272 C2 DT A 9 -3.055 -3.486 6.323 1.00 0.00 C ATOM 273 O2 DT A 9 -2.242 -4.302 6.751 1.00 0.00 O ATOM 274 N3 DT A 9 -3.367 -2.333 7.027 1.00 0.00 N ATOM 275 C4 DT A 9 -4.266 -1.349 6.637 1.00 0.00 C ATOM 276 O4 DT A 9 -4.462 -0.363 7.344 1.00 0.00 O ATOM 277 C5 DT A 9 -4.902 -1.616 5.366 1.00 0.00 C ATOM 278 C7 DT A 9 -5.908 -0.627 4.768 1.00 0.00 C ATOM 279 C6 DT A 9 -4.602 -2.731 4.683 1.00 0.00 C ATOM 0 H5' DT A 9 -5.584 -4.438 0.668 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.302 -5.985 1.072 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.897 -5.994 1.216 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.092 -7.496 3.081 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.391 -5.664 4.726 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.053 -6.601 5.361 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.407 -5.067 4.515 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.890 -2.194 7.918 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.871 -0.684 3.680 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.912 -0.877 5.111 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.657 0.385 5.087 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.094 -2.902 3.737 1.00 0.00 H new ATOM 292 P DG A 10 -3.117 -9.031 2.496 1.00 0.00 P ATOM 293 OP1 DG A 10 -4.493 -9.560 2.617 1.00 0.00 O ATOM 294 OP2 DG A 10 -1.990 -9.798 3.074 1.00 0.00 O ATOM 295 O5' DG A 10 -2.829 -8.773 0.922 1.00 0.00 O ATOM 296 C5' DG A 10 -1.483 -8.773 0.440 1.00 0.00 C ATOM 297 C4' DG A 10 -1.383 -8.632 -1.115 1.00 0.00 C ATOM 298 O4' DG A 10 -1.840 -7.335 -1.538 1.00 0.00 O ATOM 299 C3' DG A 10 -0.012 -8.802 -1.856 1.00 0.00 C ATOM 300 O3' DG A 10 -0.177 -9.552 -3.080 1.00 0.00 O ATOM 301 C2' DG A 10 0.414 -7.416 -2.209 1.00 0.00 C ATOM 302 C1' DG A 10 -0.939 -6.833 -2.545 1.00 0.00 C ATOM 303 N9 DG A 10 -0.891 -5.380 -2.517 1.00 0.00 N ATOM 304 C8 DG A 10 -1.096 -4.514 -3.527 1.00 0.00 C ATOM 305 N7 DG A 10 -1.010 -3.256 -3.220 1.00 0.00 N ATOM 306 C5 DG A 10 -0.714 -3.303 -1.859 1.00 0.00 C ATOM 307 C6 DG A 10 -0.499 -2.256 -0.937 1.00 0.00 C ATOM 308 O6 DG A 10 -0.535 -1.047 -1.131 1.00 0.00 O ATOM 309 N1 DG A 10 -0.227 -2.718 0.325 1.00 0.00 N ATOM 310 C2 DG A 10 -0.169 -4.055 0.685 1.00 0.00 C ATOM 311 N2 DG A 10 0.106 -4.380 1.946 1.00 0.00 N ATOM 312 N3 DG A 10 -0.375 -5.047 -0.182 1.00 0.00 N ATOM 313 C4 DG A 10 -0.638 -4.598 -1.426 1.00 0.00 C ATOM 0 H5' DG A 10 -0.995 -9.698 0.746 1.00 0.00 H new ATOM 0 H5'' DG A 10 -0.937 -7.954 0.908 1.00 0.00 H new ATOM 0 H4' DG A 10 -1.988 -9.495 -1.394 1.00 0.00 H new ATOM 0 H3' DG A 10 0.707 -9.332 -1.231 1.00 0.00 H new ATOM 0 H2' DG A 10 0.901 -6.901 -1.381 1.00 0.00 H new ATOM 0 H2'' DG A 10 1.105 -7.389 -3.051 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.262 -7.116 -3.547 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.318 -4.846 -4.531 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.054 -2.025 1.054 1.00 0.00 H new ATOM 0 H21 DG A 10 0.151 -5.361 2.222 1.00 0.00 H new ATOM 0 H22 DG A 10 0.272 -3.648 2.637 1.00 0.00 H new ATOM 325 P DG A 11 1.065 -10.038 -4.015 1.00 0.00 P ATOM 326 OP1 DG A 11 0.529 -11.007 -4.997 1.00 0.00 O ATOM 327 OP2 DG A 11 2.164 -10.454 -3.114 1.00 0.00 O ATOM 328 O5' DG A 11 1.569 -8.714 -4.826 1.00 0.00 O ATOM 329 C5' DG A 11 1.191 -8.444 -6.191 1.00 0.00 C ATOM 330 C4' DG A 11 1.840 -7.184 -6.804 1.00 0.00 C ATOM 331 O4' DG A 11 1.441 -5.977 -6.149 1.00 0.00 O ATOM 332 C3' DG A 11 3.361 -7.194 -6.951 1.00 0.00 C ATOM 333 O3' DG A 11 3.663 -7.060 -8.344 1.00 0.00 O ATOM 334 C2' DG A 11 3.798 -6.010 -6.104 1.00 0.00 C ATOM 335 C1' DG A 11 2.576 -5.114 -6.049 1.00 0.00 C ATOM 336 N9 DG A 11 2.479 -4.459 -4.754 1.00 0.00 N ATOM 337 C8 DG A 11 2.778 -4.987 -3.553 1.00 0.00 C ATOM 338 N7 DG A 11 2.677 -4.202 -2.529 1.00 0.00 N ATOM 339 C5 DG A 11 2.253 -3.018 -3.137 1.00 0.00 C ATOM 340 C6 DG A 11 1.961 -1.772 -2.561 1.00 0.00 C ATOM 341 O6 DG A 11 2.061 -1.449 -1.385 1.00 0.00 O ATOM 342 N1 DG A 11 1.558 -0.847 -3.501 1.00 0.00 N ATOM 343 C2 DG A 11 1.446 -1.068 -4.854 1.00 0.00 C ATOM 344 N2 DG A 11 1.008 -0.048 -5.604 1.00 0.00 N ATOM 345 N3 DG A 11 1.733 -2.249 -5.412 1.00 0.00 N ATOM 346 C4 DG A 11 2.124 -3.169 -4.495 1.00 0.00 C ATOM 0 H5' DG A 11 0.107 -8.338 -6.239 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.454 -9.306 -6.804 1.00 0.00 H new ATOM 0 H4' DG A 11 1.444 -7.213 -7.819 1.00 0.00 H new ATOM 0 H3' DG A 11 3.872 -8.099 -6.622 1.00 0.00 H new ATOM 0 H2' DG A 11 4.104 -6.326 -5.107 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.649 -5.495 -6.550 1.00 0.00 H new ATOM 0 H1' DG A 11 2.631 -4.365 -6.839 1.00 0.00 H new ATOM 0 H8 DG A 11 3.087 -6.016 -3.449 1.00 0.00 H new ATOM 0 H1 DG A 11 1.322 0.086 -3.162 1.00 0.00 H new ATOM 0 H21 DG A 11 0.908 -0.163 -6.613 1.00 0.00 H new ATOM 0 H22 DG A 11 0.774 0.843 -5.166 1.00 0.00 H new ATOM 358 P DT A 12 4.670 -8.095 -9.052 1.00 0.00 P ATOM 359 OP1 DT A 12 4.883 -7.670 -10.454 1.00 0.00 O ATOM 360 OP2 DT A 12 4.243 -9.477 -8.740 1.00 0.00 O ATOM 361 O5' DT A 12 5.967 -7.733 -8.188 1.00 0.00 O ATOM 362 C5' DT A 12 7.269 -8.301 -8.312 1.00 0.00 C ATOM 363 C4' DT A 12 8.279 -7.223 -7.928 1.00 0.00 C ATOM 364 O4' DT A 12 8.029 -6.105 -8.785 1.00 0.00 O ATOM 365 C3' DT A 12 8.025 -6.698 -6.506 1.00 0.00 C ATOM 366 O3' DT A 12 8.902 -7.291 -5.544 1.00 0.00 O ATOM 367 C2' DT A 12 8.256 -5.200 -6.626 1.00 0.00 C ATOM 368 C1' DT A 12 8.512 -4.949 -8.101 1.00 0.00 C ATOM 369 N1 DT A 12 7.857 -3.724 -8.627 1.00 0.00 N ATOM 370 C2 DT A 12 8.633 -2.571 -8.694 1.00 0.00 C ATOM 371 O2 DT A 12 9.809 -2.528 -8.334 1.00 0.00 O ATOM 372 N3 DT A 12 8.007 -1.446 -9.196 1.00 0.00 N ATOM 373 C4 DT A 12 6.698 -1.367 -9.633 1.00 0.00 C ATOM 374 O4 DT A 12 6.256 -0.302 -10.062 1.00 0.00 O ATOM 375 C5 DT A 12 5.960 -2.609 -9.530 1.00 0.00 C ATOM 376 C7 DT A 12 4.500 -2.659 -9.985 1.00 0.00 C ATOM 377 C6 DT A 12 6.538 -3.726 -9.044 1.00 0.00 C ATOM 0 H5' DT A 12 7.442 -8.643 -9.332 1.00 0.00 H new ATOM 0 H5'' DT A 12 7.371 -9.171 -7.663 1.00 0.00 H new ATOM 0 H4' DT A 12 9.283 -7.641 -8.003 1.00 0.00 H new ATOM 0 H3' DT A 12 7.025 -6.944 -6.149 1.00 0.00 H new ATOM 0 H2' DT A 12 7.389 -4.639 -6.277 1.00 0.00 H new ATOM 0 H2'' DT A 12 9.105 -4.884 -6.020 1.00 0.00 H new ATOM 0 H1' DT A 12 9.577 -4.780 -8.257 1.00 0.00 H new ATOM 0 H3 DT A 12 8.564 -0.593 -9.249 1.00 0.00 H new ATOM 0 H71 DT A 12 4.265 -3.661 -10.344 1.00 0.00 H new ATOM 0 H72 DT A 12 3.849 -2.412 -9.147 1.00 0.00 H new ATOM 0 H73 DT A 12 4.345 -1.940 -10.789 1.00 0.00 H new ATOM 0 H6 DT A 12 5.962 -4.637 -8.979 1.00 0.00 H new ATOM 390 P DT A 13 8.335 -7.862 -4.146 1.00 0.00 P ATOM 391 OP1 DT A 13 9.350 -8.798 -3.609 1.00 0.00 O ATOM 392 OP2 DT A 13 6.952 -8.341 -4.370 1.00 0.00 O ATOM 393 O5' DT A 13 8.248 -6.578 -3.164 1.00 0.00 O ATOM 394 C5' DT A 13 9.151 -6.404 -2.060 1.00 0.00 C ATOM 395 C4' DT A 13 8.489 -5.685 -0.873 1.00 0.00 C ATOM 396 O4' DT A 13 8.120 -4.318 -1.163 1.00 0.00 O ATOM 397 C3' DT A 13 7.212 -6.420 -0.433 1.00 0.00 C ATOM 398 O3' DT A 13 7.009 -6.416 0.995 1.00 0.00 O ATOM 399 C2' DT A 13 6.172 -5.566 -1.127 1.00 0.00 C ATOM 400 C1' DT A 13 6.709 -4.160 -0.937 1.00 0.00 C ATOM 401 N1 DT A 13 6.075 -3.076 -1.741 1.00 0.00 N ATOM 402 C2 DT A 13 5.596 -1.973 -1.044 1.00 0.00 C ATOM 403 O2 DT A 13 5.667 -1.866 0.181 1.00 0.00 O ATOM 404 N3 DT A 13 5.021 -0.976 -1.803 1.00 0.00 N ATOM 405 C4 DT A 13 4.873 -0.969 -3.177 1.00 0.00 C ATOM 406 O4 DT A 13 4.334 -0.013 -3.732 1.00 0.00 O ATOM 407 C5 DT A 13 5.398 -2.153 -3.829 1.00 0.00 C ATOM 408 C7 DT A 13 5.298 -2.278 -5.355 1.00 0.00 C ATOM 409 C6 DT A 13 5.967 -3.147 -3.110 1.00 0.00 C ATOM 0 H5' DT A 13 10.019 -5.833 -2.390 1.00 0.00 H new ATOM 0 H5'' DT A 13 9.515 -7.378 -1.734 1.00 0.00 H new ATOM 0 H4' DT A 13 9.242 -5.685 -0.084 1.00 0.00 H new ATOM 0 H3' DT A 13 7.209 -7.481 -0.682 1.00 0.00 H new ATOM 0 H2' DT A 13 6.076 -5.823 -2.182 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.186 -5.686 -0.679 1.00 0.00 H new ATOM 0 H1' DT A 13 6.464 -3.785 0.057 1.00 0.00 H new ATOM 0 H3 DT A 13 4.669 -0.161 -1.300 1.00 0.00 H new ATOM 0 H71 DT A 13 4.415 -1.744 -5.707 1.00 0.00 H new ATOM 0 H72 DT A 13 6.188 -1.849 -5.814 1.00 0.00 H new ATOM 0 H73 DT A 13 5.219 -3.330 -5.630 1.00 0.00 H new ATOM 0 H6 DT A 13 6.346 -4.018 -3.624 1.00 0.00 H new ATOM 422 P DG A 14 5.992 -7.471 1.692 1.00 0.00 P ATOM 423 OP1 DG A 14 6.738 -8.729 1.914 1.00 0.00 O ATOM 424 OP2 DG A 14 4.741 -7.497 0.904 1.00 0.00 O ATOM 425 O5' DG A 14 5.635 -6.832 3.133 1.00 0.00 O ATOM 426 C5' DG A 14 6.395 -7.072 4.328 1.00 0.00 C ATOM 427 C4' DG A 14 5.702 -6.499 5.574 1.00 0.00 C ATOM 428 O4' DG A 14 5.504 -5.074 5.430 1.00 0.00 O ATOM 429 C3' DG A 14 4.320 -7.110 5.861 1.00 0.00 C ATOM 430 O3' DG A 14 4.094 -7.158 7.283 1.00 0.00 O ATOM 431 C2' DG A 14 3.444 -6.117 5.134 1.00 0.00 C ATOM 432 C1' DG A 14 4.095 -4.796 5.485 1.00 0.00 C ATOM 433 N9 DG A 14 3.685 -3.666 4.625 1.00 0.00 N ATOM 434 C8 DG A 14 3.473 -2.378 5.009 1.00 0.00 C ATOM 435 N7 DG A 14 3.097 -1.556 4.084 1.00 0.00 N ATOM 436 C5 DG A 14 3.054 -2.370 2.959 1.00 0.00 C ATOM 437 C6 DG A 14 2.709 -2.035 1.631 1.00 0.00 C ATOM 438 O6 DG A 14 2.361 -0.945 1.198 1.00 0.00 O ATOM 439 N1 DG A 14 2.784 -3.117 0.786 1.00 0.00 N ATOM 440 C2 DG A 14 3.148 -4.386 1.162 1.00 0.00 C ATOM 441 N2 DG A 14 3.151 -5.277 0.175 1.00 0.00 N ATOM 442 N3 DG A 14 3.480 -4.722 2.417 1.00 0.00 N ATOM 443 C4 DG A 14 3.410 -3.663 3.265 1.00 0.00 C ATOM 0 H5' DG A 14 7.384 -6.625 4.225 1.00 0.00 H new ATOM 0 H5'' DG A 14 6.542 -8.145 4.455 1.00 0.00 H new ATOM 0 H4' DG A 14 6.369 -6.745 6.400 1.00 0.00 H new ATOM 0 H3' DG A 14 4.157 -8.139 5.539 1.00 0.00 H new ATOM 0 H2' DG A 14 3.435 -6.293 4.058 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.409 -6.163 5.473 1.00 0.00 H new ATOM 0 H1' DG A 14 3.780 -4.448 6.469 1.00 0.00 H new ATOM 0 H8 DG A 14 3.611 -2.059 6.032 1.00 0.00 H new ATOM 0 H1 DG A 14 2.551 -2.965 -0.195 1.00 0.00 H new ATOM 0 H21 DG A 14 3.409 -6.246 0.363 1.00 0.00 H new ATOM 0 H22 DG A 14 2.895 -4.992 -0.770 1.00 0.00 H new ATOM 455 P DG A 15 2.650 -7.314 8.001 1.00 0.00 P ATOM 456 OP1 DG A 15 2.863 -7.953 9.319 1.00 0.00 O ATOM 457 OP2 DG A 15 1.702 -7.921 7.040 1.00 0.00 O ATOM 458 O5' DG A 15 2.199 -5.781 8.249 1.00 0.00 O ATOM 459 C5' DG A 15 2.840 -4.991 9.261 1.00 0.00 C ATOM 460 C4' DG A 15 2.092 -3.694 9.605 1.00 0.00 C ATOM 461 O4' DG A 15 1.985 -2.834 8.451 1.00 0.00 O ATOM 462 C3' DG A 15 0.656 -3.909 10.105 1.00 0.00 C ATOM 463 O3' DG A 15 0.265 -2.785 10.904 1.00 0.00 O ATOM 464 C2' DG A 15 -0.089 -3.843 8.792 1.00 0.00 C ATOM 465 C1' DG A 15 0.596 -2.671 8.113 1.00 0.00 C ATOM 466 N9 DG A 15 0.416 -2.550 6.653 1.00 0.00 N ATOM 467 C8 DG A 15 0.671 -3.438 5.653 1.00 0.00 C ATOM 468 N7 DG A 15 0.442 -3.017 4.445 1.00 0.00 N ATOM 469 C5 DG A 15 -0.015 -1.720 4.660 1.00 0.00 C ATOM 470 C6 DG A 15 -0.431 -0.737 3.725 1.00 0.00 C ATOM 471 O6 DG A 15 -0.466 -0.825 2.502 1.00 0.00 O ATOM 472 N1 DG A 15 -0.816 0.434 4.357 1.00 0.00 N ATOM 473 C2 DG A 15 -0.807 0.644 5.720 1.00 0.00 C ATOM 474 N2 DG A 15 -1.217 1.835 6.153 1.00 0.00 N ATOM 475 N3 DG A 15 -0.416 -0.280 6.600 1.00 0.00 N ATOM 476 C4 DG A 15 -0.035 -1.430 6.002 1.00 0.00 C ATOM 0 H5' DG A 15 3.847 -4.741 8.929 1.00 0.00 H new ATOM 0 H5'' DG A 15 2.942 -5.591 10.165 1.00 0.00 H new ATOM 0 H4' DG A 15 2.689 -3.250 10.402 1.00 0.00 H new ATOM 0 H3' DG A 15 0.498 -4.810 10.698 1.00 0.00 H new ATOM 0 H2' DG A 15 0.010 -4.764 8.218 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.156 -3.668 8.934 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.652 -2.915 11.225 1.00 0.00 H new ATOM 0 H1' DG A 15 0.144 -1.745 8.467 1.00 0.00 H new ATOM 0 H8 DG A 15 1.041 -4.433 5.852 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.132 1.203 3.766 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.228 2.038 7.153 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.520 2.544 5.485 1.00 0.00 H new TER 489 DG A 15