USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 182 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 4 DT C7 :methyl 150:sc= -0.598 (180deg=-0.598) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.439 (180deg=-0.439) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.938 (180deg=-0.905) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.876 (180deg=-0.843) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.627 5.032 -8.192 1.00 0.00 P ATOM 2 OP1 DT A 1 5.764 5.653 -9.521 1.00 0.00 O ATOM 3 OP2 DT A 1 4.489 4.124 -7.921 1.00 0.00 O ATOM 4 O5' DT A 1 6.950 4.189 -7.917 1.00 0.00 O ATOM 5 C5' DT A 1 7.243 3.056 -8.705 1.00 0.00 C ATOM 6 C4' DT A 1 8.630 2.508 -8.347 1.00 0.00 C ATOM 7 O4' DT A 1 9.612 3.382 -8.899 1.00 0.00 O ATOM 8 C3' DT A 1 8.936 2.370 -6.849 1.00 0.00 C ATOM 9 O3' DT A 1 9.725 1.199 -6.695 1.00 0.00 O ATOM 10 C2' DT A 1 9.725 3.636 -6.562 1.00 0.00 C ATOM 11 C1' DT A 1 10.467 3.848 -7.870 1.00 0.00 C ATOM 12 N1 DT A 1 10.751 5.296 -8.020 1.00 0.00 N ATOM 13 C2 DT A 1 12.014 5.743 -7.665 1.00 0.00 C ATOM 14 O2 DT A 1 12.943 5.005 -7.365 1.00 0.00 O ATOM 15 N3 DT A 1 12.208 7.100 -7.646 1.00 0.00 N ATOM 16 C4 DT A 1 11.258 8.053 -7.920 1.00 0.00 C ATOM 17 O4 DT A 1 11.574 9.234 -7.840 1.00 0.00 O ATOM 18 C5 DT A 1 9.949 7.525 -8.274 1.00 0.00 C ATOM 19 C7 DT A 1 8.777 8.450 -8.580 1.00 0.00 C ATOM 20 C6 DT A 1 9.746 6.187 -8.316 1.00 0.00 C ATOM 0 H5' DT A 1 7.210 3.320 -9.762 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.487 2.287 -8.545 1.00 0.00 H new ATOM 0 H4' DT A 1 8.649 1.497 -8.755 1.00 0.00 H new ATOM 0 H3' DT A 1 8.078 2.273 -6.184 1.00 0.00 H new ATOM 0 H2' DT A 1 9.074 4.477 -6.321 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.407 3.510 -5.721 1.00 0.00 H new ATOM 0 H1' DT A 1 11.416 3.313 -7.906 1.00 0.00 H new ATOM 0 H3 DT A 1 13.142 7.432 -7.407 1.00 0.00 H new ATOM 0 H71 DT A 1 8.109 7.968 -9.294 1.00 0.00 H new ATOM 0 H72 DT A 1 8.232 8.663 -7.660 1.00 0.00 H new ATOM 0 H73 DT A 1 9.150 9.382 -9.005 1.00 0.00 H new ATOM 0 H6 DT A 1 8.771 5.810 -8.589 1.00 0.00 H new ATOM 33 P DG A 2 10.190 0.688 -5.256 1.00 0.00 P ATOM 34 OP1 DG A 2 11.365 1.448 -4.798 1.00 0.00 O ATOM 35 OP2 DG A 2 10.221 -0.799 -5.207 1.00 0.00 O ATOM 36 O5' DG A 2 8.917 1.125 -4.397 1.00 0.00 O ATOM 37 C5' DG A 2 9.000 2.027 -3.320 1.00 0.00 C ATOM 38 C4' DG A 2 8.447 1.343 -2.081 1.00 0.00 C ATOM 39 O4' DG A 2 7.062 1.584 -2.057 1.00 0.00 O ATOM 40 C3' DG A 2 8.689 -0.159 -2.094 1.00 0.00 C ATOM 41 O3' DG A 2 9.021 -0.538 -0.787 1.00 0.00 O ATOM 42 C2' DG A 2 7.368 -0.716 -2.621 1.00 0.00 C ATOM 43 C1' DG A 2 6.366 0.397 -2.323 1.00 0.00 C ATOM 44 N9 DG A 2 5.424 0.641 -3.425 1.00 0.00 N ATOM 45 C8 DG A 2 5.637 0.761 -4.780 1.00 0.00 C ATOM 46 N7 DG A 2 4.560 1.084 -5.450 1.00 0.00 N ATOM 47 C5 DG A 2 3.577 1.195 -4.459 1.00 0.00 C ATOM 48 C6 DG A 2 2.205 1.576 -4.527 1.00 0.00 C ATOM 49 O6 DG A 2 1.594 1.944 -5.527 1.00 0.00 O ATOM 50 N1 DG A 2 1.564 1.553 -3.310 1.00 0.00 N ATOM 51 C2 DG A 2 2.189 1.261 -2.138 1.00 0.00 C ATOM 52 N2 DG A 2 1.473 1.289 -1.043 1.00 0.00 N ATOM 53 N3 DG A 2 3.474 0.965 -2.031 1.00 0.00 N ATOM 54 C4 DG A 2 4.107 0.939 -3.227 1.00 0.00 C ATOM 0 H5' DG A 2 8.434 2.932 -3.539 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.034 2.330 -3.157 1.00 0.00 H new ATOM 0 H4' DG A 2 8.951 1.742 -1.201 1.00 0.00 H new ATOM 0 H3' DG A 2 9.507 -0.525 -2.714 1.00 0.00 H new ATOM 0 H2' DG A 2 7.421 -0.933 -3.688 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.096 -1.645 -2.120 1.00 0.00 H new ATOM 0 H1' DG A 2 5.782 0.073 -1.462 1.00 0.00 H new ATOM 0 H8 DG A 2 6.599 0.604 -5.245 1.00 0.00 H new ATOM 0 H1 DG A 2 0.567 1.766 -3.285 1.00 0.00 H new ATOM 0 H21 DG A 2 1.906 1.076 -0.145 1.00 0.00 H new ATOM 0 H22 DG A 2 0.481 1.524 -1.088 1.00 0.00 H new ATOM 66 P DC A 3 9.395 -2.038 -0.465 1.00 0.00 P ATOM 67 OP1 DC A 3 10.094 -1.969 0.844 1.00 0.00 O ATOM 68 OP2 DC A 3 10.042 -2.630 -1.659 1.00 0.00 O ATOM 69 O5' DC A 3 7.970 -2.679 -0.200 1.00 0.00 O ATOM 70 C5' DC A 3 7.153 -2.094 0.794 1.00 0.00 C ATOM 71 C4' DC A 3 5.719 -2.584 0.841 1.00 0.00 C ATOM 72 O4' DC A 3 5.055 -1.973 -0.232 1.00 0.00 O ATOM 73 C3' DC A 3 5.560 -4.093 0.666 1.00 0.00 C ATOM 74 O3' DC A 3 5.251 -4.740 1.879 1.00 0.00 O ATOM 75 C2' DC A 3 4.341 -4.178 -0.231 1.00 0.00 C ATOM 76 C1' DC A 3 3.907 -2.732 -0.440 1.00 0.00 C ATOM 77 N1 DC A 3 3.497 -2.481 -1.823 1.00 0.00 N ATOM 78 C2 DC A 3 2.257 -1.936 -2.058 1.00 0.00 C ATOM 79 O2 DC A 3 1.529 -1.647 -1.119 1.00 0.00 O ATOM 80 N3 DC A 3 1.848 -1.709 -3.331 1.00 0.00 N ATOM 81 C4 DC A 3 2.665 -2.021 -4.326 1.00 0.00 C ATOM 82 N4 DC A 3 2.235 -1.761 -5.537 1.00 0.00 N ATOM 83 C5 DC A 3 3.965 -2.570 -4.118 1.00 0.00 C ATOM 84 C6 DC A 3 4.337 -2.769 -2.847 1.00 0.00 C ATOM 0 H5' DC A 3 7.144 -1.015 0.641 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.611 -2.274 1.767 1.00 0.00 H new ATOM 0 H4' DC A 3 5.321 -2.337 1.825 1.00 0.00 H new ATOM 0 H3' DC A 3 6.469 -4.560 0.287 1.00 0.00 H new ATOM 0 H2' DC A 3 4.581 -4.660 -1.179 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.549 -4.765 0.233 1.00 0.00 H new ATOM 0 H1' DC A 3 3.073 -2.499 0.222 1.00 0.00 H new ATOM 0 H41 DC A 3 2.820 -1.979 -6.344 1.00 0.00 H new ATOM 0 H42 DC A 3 1.316 -1.341 -5.672 1.00 0.00 H new ATOM 0 H5 DC A 3 4.617 -2.813 -4.944 1.00 0.00 H new ATOM 0 H6 DC A 3 5.319 -3.164 -2.635 1.00 0.00 H new ATOM 96 P DT A 4 6.392 -5.371 2.807 1.00 0.00 P ATOM 97 OP1 DT A 4 7.606 -4.516 2.732 1.00 0.00 O ATOM 98 OP2 DT A 4 6.511 -6.802 2.476 1.00 0.00 O ATOM 99 O5' DT A 4 5.753 -5.222 4.271 1.00 0.00 O ATOM 100 C5' DT A 4 5.763 -3.982 4.952 1.00 0.00 C ATOM 101 C4' DT A 4 4.951 -4.010 6.261 1.00 0.00 C ATOM 102 O4' DT A 4 3.600 -3.726 5.945 1.00 0.00 O ATOM 103 C3' DT A 4 4.973 -5.354 7.020 1.00 0.00 C ATOM 104 O3' DT A 4 4.660 -5.350 8.407 1.00 0.00 O ATOM 105 C2' DT A 4 3.746 -6.029 6.420 1.00 0.00 C ATOM 106 C1' DT A 4 2.806 -4.823 6.341 1.00 0.00 C ATOM 107 N1 DT A 4 1.702 -5.012 5.375 1.00 0.00 N ATOM 108 C2 DT A 4 0.494 -5.473 5.874 1.00 0.00 C ATOM 109 O2 DT A 4 0.311 -5.787 7.042 1.00 0.00 O ATOM 110 N3 DT A 4 -0.542 -5.585 4.985 1.00 0.00 N ATOM 111 C4 DT A 4 -0.488 -5.276 3.650 1.00 0.00 C ATOM 112 O4 DT A 4 -1.502 -5.409 2.975 1.00 0.00 O ATOM 113 C5 DT A 4 0.806 -4.804 3.182 1.00 0.00 C ATOM 114 C7 DT A 4 0.999 -4.447 1.718 1.00 0.00 C ATOM 115 C6 DT A 4 1.848 -4.690 4.046 1.00 0.00 C ATOM 0 H5' DT A 4 5.360 -3.210 4.297 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.793 -3.704 5.175 1.00 0.00 H new ATOM 0 H4' DT A 4 5.417 -3.274 6.917 1.00 0.00 H new ATOM 0 H3' DT A 4 5.977 -5.770 6.933 1.00 0.00 H new ATOM 0 H2' DT A 4 3.946 -6.469 5.443 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.354 -6.825 7.054 1.00 0.00 H new ATOM 0 H1' DT A 4 2.333 -4.671 7.311 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.431 -5.928 5.348 1.00 0.00 H new ATOM 0 H71 DT A 4 1.753 -3.665 1.631 1.00 0.00 H new ATOM 0 H72 DT A 4 1.326 -5.330 1.168 1.00 0.00 H new ATOM 0 H73 DT A 4 0.056 -4.090 1.303 1.00 0.00 H new ATOM 0 H6 DT A 4 2.804 -4.342 3.684 1.00 0.00 H new ATOM 128 P DC A 5 5.142 -4.257 9.479 1.00 0.00 P ATOM 129 OP1 DC A 5 4.931 -4.812 10.828 1.00 0.00 O ATOM 130 OP2 DC A 5 4.524 -2.954 9.136 1.00 0.00 O ATOM 131 O5' DC A 5 6.716 -4.050 9.296 1.00 0.00 O ATOM 132 C5' DC A 5 7.383 -3.141 10.155 1.00 0.00 C ATOM 133 C4' DC A 5 8.804 -2.817 9.694 1.00 0.00 C ATOM 134 O4' DC A 5 9.704 -3.863 10.013 1.00 0.00 O ATOM 135 C3' DC A 5 8.926 -2.560 8.185 1.00 0.00 C ATOM 136 O3' DC A 5 9.300 -1.223 7.924 1.00 0.00 O ATOM 137 C2' DC A 5 10.065 -3.492 7.783 1.00 0.00 C ATOM 138 C1' DC A 5 10.772 -3.750 9.103 1.00 0.00 C ATOM 139 N1 DC A 5 11.539 -5.012 9.050 1.00 0.00 N ATOM 140 C2 DC A 5 12.921 -4.949 8.954 1.00 0.00 C ATOM 141 O2 DC A 5 13.496 -3.869 8.886 1.00 0.00 O ATOM 142 N3 DC A 5 13.636 -6.098 8.925 1.00 0.00 N ATOM 143 C4 DC A 5 13.010 -7.257 8.971 1.00 0.00 C ATOM 144 N4 DC A 5 13.766 -8.329 8.944 1.00 0.00 N ATOM 145 C5 DC A 5 11.593 -7.371 9.023 1.00 0.00 C ATOM 146 C6 DC A 5 10.895 -6.216 9.063 1.00 0.00 C ATOM 0 H5' DC A 5 7.420 -3.560 11.160 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.807 -2.218 10.216 1.00 0.00 H new ATOM 0 H4' DC A 5 9.055 -1.900 10.228 1.00 0.00 H new ATOM 0 H3' DC A 5 7.992 -2.729 7.649 1.00 0.00 H new ATOM 0 H2' DC A 5 9.694 -4.414 7.336 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.728 -3.028 7.053 1.00 0.00 H new ATOM 0 H1' DC A 5 11.489 -2.972 9.366 1.00 0.00 H new ATOM 0 H41 DC A 5 13.339 -9.255 8.977 1.00 0.00 H new ATOM 0 H42 DC A 5 14.780 -8.236 8.890 1.00 0.00 H new ATOM 0 H5 DC A 5 11.101 -8.332 9.030 1.00 0.00 H new ATOM 0 H6 DC A 5 9.816 -6.245 9.106 1.00 0.00 H new ATOM 158 P DG A 6 8.190 -0.151 7.501 1.00 0.00 P ATOM 159 OP1 DG A 6 8.823 1.137 7.101 1.00 0.00 O ATOM 160 OP2 DG A 6 7.056 -0.174 8.459 1.00 0.00 O ATOM 161 O5' DG A 6 7.629 -0.829 6.174 1.00 0.00 O ATOM 162 C5' DG A 6 8.469 -1.289 5.141 1.00 0.00 C ATOM 163 C4' DG A 6 7.978 -0.705 3.822 1.00 0.00 C ATOM 164 O4' DG A 6 6.632 -1.085 3.627 1.00 0.00 O ATOM 165 C3' DG A 6 8.066 0.806 3.853 1.00 0.00 C ATOM 166 O3' DG A 6 8.663 1.233 2.656 1.00 0.00 O ATOM 167 C2' DG A 6 6.627 1.257 4.071 1.00 0.00 C ATOM 168 C1' DG A 6 5.793 0.046 3.643 1.00 0.00 C ATOM 169 N9 DG A 6 4.670 -0.202 4.560 1.00 0.00 N ATOM 170 C8 DG A 6 4.643 -0.154 5.924 1.00 0.00 C ATOM 171 N7 DG A 6 3.504 -0.485 6.463 1.00 0.00 N ATOM 172 C5 DG A 6 2.705 -0.782 5.346 1.00 0.00 C ATOM 173 C6 DG A 6 1.347 -1.213 5.225 1.00 0.00 C ATOM 174 O6 DG A 6 0.537 -1.472 6.108 1.00 0.00 O ATOM 175 N1 DG A 6 0.931 -1.347 3.916 1.00 0.00 N ATOM 176 C2 DG A 6 1.725 -1.115 2.841 1.00 0.00 C ATOM 177 N2 DG A 6 1.178 -1.236 1.656 1.00 0.00 N ATOM 178 N3 DG A 6 2.995 -0.749 2.911 1.00 0.00 N ATOM 179 C4 DG A 6 3.420 -0.603 4.188 1.00 0.00 C ATOM 0 H5' DG A 6 8.458 -2.378 5.100 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.500 -0.988 5.328 1.00 0.00 H new ATOM 0 H4' DG A 6 8.600 -1.081 3.010 1.00 0.00 H new ATOM 0 H3' DG A 6 8.688 1.235 4.639 1.00 0.00 H new ATOM 0 H2' DG A 6 6.444 1.520 5.113 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.389 2.137 3.474 1.00 0.00 H new ATOM 0 H1' DG A 6 5.376 0.246 2.656 1.00 0.00 H new ATOM 0 H8 DG A 6 5.501 0.136 6.512 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.032 -1.638 3.747 1.00 0.00 H new ATOM 0 H21 DG A 6 1.735 -1.071 0.818 1.00 0.00 H new ATOM 0 H22 DG A 6 0.195 -1.495 1.572 1.00 0.00 H new ATOM 191 P DC A 7 8.995 2.763 2.440 1.00 0.00 P ATOM 192 OP1 DC A 7 9.941 2.780 1.292 1.00 0.00 O ATOM 193 OP2 DC A 7 9.344 3.341 3.760 1.00 0.00 O ATOM 194 O5' DC A 7 7.618 3.321 1.891 1.00 0.00 O ATOM 195 C5' DC A 7 7.065 2.705 0.743 1.00 0.00 C ATOM 196 C4' DC A 7 5.632 3.080 0.437 1.00 0.00 C ATOM 197 O4' DC A 7 4.859 2.406 1.392 1.00 0.00 O ATOM 198 C3' DC A 7 5.323 4.569 0.580 1.00 0.00 C ATOM 199 O3' DC A 7 5.151 5.202 -0.660 1.00 0.00 O ATOM 200 C2' DC A 7 3.972 4.551 1.259 1.00 0.00 C ATOM 201 C1' DC A 7 3.640 3.071 1.414 1.00 0.00 C ATOM 202 N1 DC A 7 3.042 2.798 2.723 1.00 0.00 N ATOM 203 C2 DC A 7 1.826 2.164 2.772 1.00 0.00 C ATOM 204 O2 DC A 7 1.323 1.742 1.741 1.00 0.00 O ATOM 205 N3 DC A 7 1.191 2.010 3.960 1.00 0.00 N ATOM 206 C4 DC A 7 1.776 2.467 5.058 1.00 0.00 C ATOM 207 N4 DC A 7 1.128 2.298 6.186 1.00 0.00 N ATOM 208 C5 DC A 7 3.055 3.095 5.046 1.00 0.00 C ATOM 209 C6 DC A 7 3.656 3.222 3.855 1.00 0.00 C ATOM 0 H5' DC A 7 7.122 1.624 0.868 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.682 2.959 -0.119 1.00 0.00 H new ATOM 0 H4' DC A 7 5.426 2.819 -0.601 1.00 0.00 H new ATOM 0 H3' DC A 7 6.123 5.096 1.100 1.00 0.00 H new ATOM 0 H2' DC A 7 4.007 5.053 2.226 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.220 5.065 0.660 1.00 0.00 H new ATOM 0 H1' DC A 7 2.947 2.763 0.631 1.00 0.00 H new ATOM 0 H41 DC A 7 1.532 2.631 7.061 1.00 0.00 H new ATOM 0 H42 DC A 7 0.220 1.834 6.188 1.00 0.00 H new ATOM 0 H5 DC A 7 3.518 3.452 5.954 1.00 0.00 H new ATOM 0 H6 DC A 7 4.639 3.666 3.796 1.00 0.00 H new ATOM 221 P DT A 8 6.362 5.912 -1.405 1.00 0.00 P ATOM 222 OP1 DT A 8 7.617 5.148 -1.180 1.00 0.00 O ATOM 223 OP2 DT A 8 6.322 7.350 -1.049 1.00 0.00 O ATOM 224 O5' DT A 8 5.875 5.763 -2.920 1.00 0.00 O ATOM 225 C5' DT A 8 6.136 4.597 -3.674 1.00 0.00 C ATOM 226 C4' DT A 8 5.452 4.633 -5.054 1.00 0.00 C ATOM 227 O4' DT A 8 4.094 4.217 -4.962 1.00 0.00 O ATOM 228 C3' DT A 8 5.469 6.042 -5.683 1.00 0.00 C ATOM 229 O3' DT A 8 5.690 6.194 -7.080 1.00 0.00 O ATOM 230 C2' DT A 8 4.075 6.548 -5.343 1.00 0.00 C ATOM 231 C1' DT A 8 3.248 5.271 -5.395 1.00 0.00 C ATOM 232 N1 DT A 8 2.033 5.325 -4.556 1.00 0.00 N ATOM 233 C2 DT A 8 0.844 5.681 -5.174 1.00 0.00 C ATOM 234 O2 DT A 8 0.760 6.024 -6.345 1.00 0.00 O ATOM 235 N3 DT A 8 -0.291 5.637 -4.410 1.00 0.00 N ATOM 236 C4 DT A 8 -0.352 5.262 -3.094 1.00 0.00 C ATOM 237 O4 DT A 8 -1.443 5.258 -2.535 1.00 0.00 O ATOM 238 C5 DT A 8 0.925 4.899 -2.501 1.00 0.00 C ATOM 239 C7 DT A 8 0.986 4.446 -1.056 1.00 0.00 C ATOM 240 C6 DT A 8 2.065 4.944 -3.237 1.00 0.00 C ATOM 0 H5' DT A 8 5.790 3.724 -3.121 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.212 4.485 -3.806 1.00 0.00 H new ATOM 0 H4' DT A 8 6.022 3.951 -5.685 1.00 0.00 H new ATOM 0 H3' DT A 8 6.335 6.574 -5.289 1.00 0.00 H new ATOM 0 H2' DT A 8 4.040 7.016 -4.359 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.725 7.290 -6.061 1.00 0.00 H new ATOM 0 H1' DT A 8 2.892 5.122 -6.414 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.166 5.907 -4.859 1.00 0.00 H new ATOM 0 H71 DT A 8 1.813 3.747 -0.928 1.00 0.00 H new ATOM 0 H72 DT A 8 1.138 5.310 -0.410 1.00 0.00 H new ATOM 0 H73 DT A 8 0.051 3.954 -0.789 1.00 0.00 H new ATOM 0 H6 DT A 8 3.007 4.677 -2.780 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -6.311 -6.109 -8.165 1.00 0.00 P ATOM 255 OP1 DT B 1 -6.810 -6.810 -6.955 1.00 0.00 O ATOM 256 OP2 DT B 1 -6.473 -6.734 -9.500 1.00 0.00 O ATOM 257 O5' DT B 1 -6.964 -4.660 -8.240 1.00 0.00 O ATOM 258 C5' DT B 1 -6.601 -3.742 -9.257 1.00 0.00 C ATOM 259 C4' DT B 1 -7.603 -2.575 -9.314 1.00 0.00 C ATOM 260 O4' DT B 1 -8.754 -3.051 -10.004 1.00 0.00 O ATOM 261 C3' DT B 1 -8.083 -2.064 -7.950 1.00 0.00 C ATOM 262 O3' DT B 1 -8.416 -0.693 -8.032 1.00 0.00 O ATOM 263 C2' DT B 1 -9.331 -2.891 -7.716 1.00 0.00 C ATOM 264 C1' DT B 1 -9.874 -2.977 -9.139 1.00 0.00 C ATOM 265 N1 DT B 1 -10.742 -4.165 -9.322 1.00 0.00 N ATOM 266 C2 DT B 1 -12.036 -3.963 -9.784 1.00 0.00 C ATOM 267 O2 DT B 1 -12.502 -2.870 -10.073 1.00 0.00 O ATOM 268 N3 DT B 1 -12.821 -5.078 -9.927 1.00 0.00 N ATOM 269 C4 DT B 1 -12.444 -6.370 -9.658 1.00 0.00 C ATOM 270 O4 DT B 1 -13.261 -7.266 -9.828 1.00 0.00 O ATOM 271 C5 DT B 1 -11.071 -6.522 -9.200 1.00 0.00 C ATOM 272 C7 DT B 1 -10.501 -7.891 -8.849 1.00 0.00 C ATOM 273 C6 DT B 1 -10.281 -5.431 -9.051 1.00 0.00 C ATOM 0 H5' DT B 1 -6.571 -4.251 -10.220 1.00 0.00 H new ATOM 0 H5'' DT B 1 -5.598 -3.359 -9.068 1.00 0.00 H new ATOM 0 H4' DT B 1 -7.089 -1.744 -9.797 1.00 0.00 H new ATOM 0 H3' DT B 1 -7.339 -2.155 -7.159 1.00 0.00 H new ATOM 0 H2' DT B 1 -9.106 -3.872 -7.297 1.00 0.00 H new ATOM 0 H2'' DT B 1 -10.029 -2.405 -7.034 1.00 0.00 H new ATOM 0 H1' DT B 1 -10.489 -2.104 -9.357 1.00 0.00 H new ATOM 0 H3 DT B 1 -13.773 -4.934 -10.264 1.00 0.00 H new ATOM 0 H71 DT B 1 -9.429 -7.901 -9.048 1.00 0.00 H new ATOM 0 H72 DT B 1 -10.676 -8.098 -7.793 1.00 0.00 H new ATOM 0 H73 DT B 1 -10.989 -8.655 -9.454 1.00 0.00 H new ATOM 0 H6 DT B 1 -9.264 -5.560 -8.711 1.00 0.00 H new ATOM 286 P DG B 2 -8.861 0.097 -6.717 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.276 -0.163 -6.402 1.00 0.00 O ATOM 288 OP2 DG B 2 -8.404 1.507 -6.777 1.00 0.00 O ATOM 289 O5' DG B 2 -7.943 -0.627 -5.622 1.00 0.00 O ATOM 290 C5' DG B 2 -8.425 -1.532 -4.646 1.00 0.00 C ATOM 291 C4' DG B 2 -8.065 -0.966 -3.273 1.00 0.00 C ATOM 292 O4' DG B 2 -6.718 -1.340 -3.068 1.00 0.00 O ATOM 293 C3' DG B 2 -8.184 0.558 -3.269 1.00 0.00 C ATOM 294 O3' DG B 2 -8.748 1.044 -2.076 1.00 0.00 O ATOM 295 C2' DG B 2 -6.744 0.996 -3.546 1.00 0.00 C ATOM 296 C1' DG B 2 -5.883 -0.221 -3.200 1.00 0.00 C ATOM 297 N9 DG B 2 -4.797 -0.442 -4.179 1.00 0.00 N ATOM 298 C8 DG B 2 -4.794 -0.394 -5.554 1.00 0.00 C ATOM 299 N7 DG B 2 -3.601 -0.507 -6.079 1.00 0.00 N ATOM 300 C5 DG B 2 -2.763 -0.701 -4.976 1.00 0.00 C ATOM 301 C6 DG B 2 -1.356 -0.939 -4.869 1.00 0.00 C ATOM 302 O6 DG B 2 -0.514 -1.009 -5.758 1.00 0.00 O ATOM 303 N1 DG B 2 -0.931 -1.131 -3.571 1.00 0.00 N ATOM 304 C2 DG B 2 -1.754 -1.076 -2.493 1.00 0.00 C ATOM 305 N2 DG B 2 -1.225 -1.274 -1.313 1.00 0.00 N ATOM 306 N3 DG B 2 -3.055 -0.850 -2.553 1.00 0.00 N ATOM 307 C4 DG B 2 -3.499 -0.686 -3.822 1.00 0.00 C ATOM 0 H5' DG B 2 -7.978 -2.517 -4.783 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.504 -1.656 -4.738 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.729 -1.341 -2.494 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.872 0.965 -4.010 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.614 1.287 -4.588 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.470 1.858 -2.938 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.377 -0.039 -2.252 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.691 -0.274 -6.144 1.00 0.00 H new ATOM 0 H1 DG B 2 0.058 -1.325 -3.412 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.811 -1.241 -0.479 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.226 -1.462 -1.227 1.00 0.00 H new ATOM 319 P DC B 3 -8.986 2.612 -1.886 1.00 0.00 P ATOM 320 OP1 DC B 3 -9.977 2.869 -0.813 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.133 3.243 -3.221 1.00 0.00 O ATOM 322 O5' DC B 3 -7.581 3.020 -1.277 1.00 0.00 O ATOM 323 C5' DC B 3 -7.096 2.322 -0.148 1.00 0.00 C ATOM 324 C4' DC B 3 -5.661 2.685 0.179 1.00 0.00 C ATOM 325 O4' DC B 3 -4.865 2.104 -0.822 1.00 0.00 O ATOM 326 C3' DC B 3 -5.403 4.191 0.143 1.00 0.00 C ATOM 327 O3' DC B 3 -5.243 4.732 1.432 1.00 0.00 O ATOM 328 C2' DC B 3 -4.077 4.280 -0.580 1.00 0.00 C ATOM 329 C1' DC B 3 -3.679 2.831 -0.834 1.00 0.00 C ATOM 330 N1 DC B 3 -3.095 2.670 -2.167 1.00 0.00 N ATOM 331 C2 DC B 3 -1.830 2.151 -2.271 1.00 0.00 C ATOM 332 O2 DC B 3 -1.262 1.721 -1.276 1.00 0.00 O ATOM 333 N3 DC B 3 -1.211 2.114 -3.474 1.00 0.00 N ATOM 334 C4 DC B 3 -1.875 2.527 -4.543 1.00 0.00 C ATOM 335 N4 DC B 3 -1.224 2.478 -5.679 1.00 0.00 N ATOM 336 C5 DC B 3 -3.216 3.002 -4.484 1.00 0.00 C ATOM 337 C6 DC B 3 -3.784 3.051 -3.272 1.00 0.00 C ATOM 0 H5' DC B 3 -7.165 1.249 -0.329 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.729 2.541 0.712 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.438 2.333 1.186 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.227 4.735 -0.320 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.171 4.835 -1.514 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.330 4.796 0.024 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.953 2.508 -0.088 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.678 2.782 -6.540 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.263 2.136 -5.702 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.749 3.308 -5.372 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.802 3.398 -3.173 1.00 0.00 H new ATOM 349 P DT B 4 -6.469 5.385 2.217 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.737 4.714 1.846 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.349 6.852 2.043 1.00 0.00 O ATOM 352 O5' DT B 4 -6.125 5.048 3.738 1.00 0.00 O ATOM 353 C5' DT B 4 -6.275 3.748 4.277 1.00 0.00 C ATOM 354 C4' DT B 4 -5.693 3.682 5.705 1.00 0.00 C ATOM 355 O4' DT B 4 -4.313 3.377 5.600 1.00 0.00 O ATOM 356 C3' DT B 4 -5.796 4.989 6.520 1.00 0.00 C ATOM 357 O3' DT B 4 -5.694 4.886 7.931 1.00 0.00 O ATOM 358 C2' DT B 4 -4.476 5.659 6.161 1.00 0.00 C ATOM 359 C1' DT B 4 -3.560 4.435 6.160 1.00 0.00 C ATOM 360 N1 DT B 4 -2.331 4.656 5.365 1.00 0.00 N ATOM 361 C2 DT B 4 -1.209 5.116 6.034 1.00 0.00 C ATOM 362 O2 DT B 4 -1.183 5.377 7.228 1.00 0.00 O ATOM 363 N3 DT B 4 -0.075 5.303 5.285 1.00 0.00 N ATOM 364 C4 DT B 4 0.047 5.057 3.941 1.00 0.00 C ATOM 365 O4 DT B 4 1.131 5.252 3.401 1.00 0.00 O ATOM 366 C5 DT B 4 -1.164 4.578 3.296 1.00 0.00 C ATOM 367 C7 DT B 4 -1.173 4.280 1.806 1.00 0.00 C ATOM 368 C6 DT B 4 -2.298 4.395 4.016 1.00 0.00 C ATOM 0 H5' DT B 4 -5.770 3.023 3.639 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.330 3.476 4.295 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.283 2.931 6.230 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.759 5.448 6.299 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.510 6.157 5.192 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.174 6.407 6.894 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.232 4.215 7.176 1.00 0.00 H new ATOM 0 H3 DT B 4 0.750 5.656 5.770 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.890 3.486 1.598 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.456 5.178 1.257 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.179 3.962 1.493 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.190 4.038 3.522 1.00 0.00 H new ATOM 381 P DC B 5 -6.560 3.895 8.841 1.00 0.00 P ATOM 382 OP1 DC B 5 -6.586 4.424 10.216 1.00 0.00 O ATOM 383 OP2 DC B 5 -6.074 2.513 8.606 1.00 0.00 O ATOM 384 O5' DC B 5 -8.048 3.953 8.266 1.00 0.00 O ATOM 385 C5' DC B 5 -9.055 3.163 8.874 1.00 0.00 C ATOM 386 C4' DC B 5 -10.273 2.994 7.962 1.00 0.00 C ATOM 387 O4' DC B 5 -10.977 4.210 7.773 1.00 0.00 O ATOM 388 C3' DC B 5 -9.864 2.493 6.571 1.00 0.00 C ATOM 389 O3' DC B 5 -10.322 1.180 6.322 1.00 0.00 O ATOM 390 C2' DC B 5 -10.555 3.482 5.638 1.00 0.00 C ATOM 391 C1' DC B 5 -11.624 4.098 6.527 1.00 0.00 C ATOM 392 N1 DC B 5 -12.018 5.423 6.002 1.00 0.00 N ATOM 393 C2 DC B 5 -13.206 5.530 5.295 1.00 0.00 C ATOM 394 O2 DC B 5 -13.924 4.551 5.126 1.00 0.00 O ATOM 395 N3 DC B 5 -13.563 6.729 4.776 1.00 0.00 N ATOM 396 C4 DC B 5 -12.770 7.769 4.935 1.00 0.00 C ATOM 397 N4 DC B 5 -13.175 8.896 4.396 1.00 0.00 N ATOM 398 C5 DC B 5 -11.518 7.695 5.604 1.00 0.00 C ATOM 399 C6 DC B 5 -11.182 6.496 6.126 1.00 0.00 C ATOM 0 H5' DC B 5 -9.364 3.626 9.811 1.00 0.00 H new ATOM 0 H5'' DC B 5 -8.648 2.183 9.122 1.00 0.00 H new ATOM 0 H4' DC B 5 -10.913 2.269 8.465 1.00 0.00 H new ATOM 0 H3' DC B 5 -8.782 2.446 6.448 1.00 0.00 H new ATOM 0 H2' DC B 5 -9.861 4.233 5.260 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.989 2.984 4.771 1.00 0.00 H new ATOM 0 H1' DC B 5 -12.542 3.513 6.583 1.00 0.00 H new ATOM 0 H41 DC B 5 -12.605 9.737 4.484 1.00 0.00 H new ATOM 0 H42 DC B 5 -14.059 8.930 3.889 1.00 0.00 H new ATOM 0 H5 DC B 5 -10.869 8.554 5.690 1.00 0.00 H new ATOM 0 H6 DC B 5 -10.243 6.384 6.647 1.00 0.00 H new ATOM 411 P DG B 6 -9.257 0.021 6.032 1.00 0.00 P ATOM 412 OP1 DG B 6 -9.928 -1.214 5.546 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.282 -0.052 7.150 1.00 0.00 O ATOM 414 O5' DG B 6 -8.446 0.643 4.805 1.00 0.00 O ATOM 415 C5' DG B 6 -9.074 1.130 3.639 1.00 0.00 C ATOM 416 C4' DG B 6 -8.419 0.506 2.410 1.00 0.00 C ATOM 417 O4' DG B 6 -7.060 0.891 2.452 1.00 0.00 O ATOM 418 C3' DG B 6 -8.520 -1.013 2.449 1.00 0.00 C ATOM 419 O3' DG B 6 -8.966 -1.538 1.220 1.00 0.00 O ATOM 420 C2' DG B 6 -7.125 -1.457 2.881 1.00 0.00 C ATOM 421 C1' DG B 6 -6.239 -0.236 2.630 1.00 0.00 C ATOM 422 N9 DG B 6 -5.300 -0.009 3.739 1.00 0.00 N ATOM 423 C8 DG B 6 -5.503 -0.113 5.086 1.00 0.00 C ATOM 424 N7 DG B 6 -4.472 0.187 5.824 1.00 0.00 N ATOM 425 C5 DG B 6 -3.491 0.509 4.869 1.00 0.00 C ATOM 426 C6 DG B 6 -2.130 0.931 4.993 1.00 0.00 C ATOM 427 O6 DG B 6 -1.486 1.168 6.008 1.00 0.00 O ATOM 428 N1 DG B 6 -1.496 1.093 3.778 1.00 0.00 N ATOM 429 C2 DG B 6 -2.095 0.896 2.577 1.00 0.00 C ATOM 430 N2 DG B 6 -1.368 1.063 1.501 1.00 0.00 N ATOM 431 N3 DG B 6 -3.363 0.556 2.422 1.00 0.00 N ATOM 432 C4 DG B 6 -3.999 0.377 3.601 1.00 0.00 C ATOM 0 H5' DG B 6 -8.993 2.216 3.596 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.137 0.891 3.659 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.913 0.841 1.498 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.270 -1.390 3.144 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.109 -1.750 3.931 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.786 -2.318 2.305 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.645 -0.415 1.734 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.448 -0.421 5.508 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.517 1.378 3.783 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.782 0.924 0.579 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.388 1.332 1.585 1.00 0.00 H new ATOM 444 P DC B 7 -9.163 -3.111 1.045 1.00 0.00 P ATOM 445 OP1 DC B 7 -10.024 -3.400 -0.127 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.495 -3.666 2.385 1.00 0.00 O ATOM 447 O5' DC B 7 -7.695 -3.547 0.607 1.00 0.00 O ATOM 448 C5' DC B 7 -7.056 -2.852 -0.454 1.00 0.00 C ATOM 449 C4' DC B 7 -5.593 -3.227 -0.634 1.00 0.00 C ATOM 450 O4' DC B 7 -4.955 -2.582 0.439 1.00 0.00 O ATOM 451 C3' DC B 7 -5.291 -4.723 -0.497 1.00 0.00 C ATOM 452 O3' DC B 7 -4.985 -5.398 -1.694 1.00 0.00 O ATOM 453 C2' DC B 7 -4.040 -4.714 0.361 1.00 0.00 C ATOM 454 C1' DC B 7 -3.750 -3.240 0.633 1.00 0.00 C ATOM 455 N1 DC B 7 -3.369 -3.015 2.032 1.00 0.00 N ATOM 456 C2 DC B 7 -2.180 -2.382 2.302 1.00 0.00 C ATOM 457 O2 DC B 7 -1.511 -1.929 1.383 1.00 0.00 O ATOM 458 N3 DC B 7 -1.749 -2.258 3.583 1.00 0.00 N ATOM 459 C4 DC B 7 -2.507 -2.749 4.555 1.00 0.00 C ATOM 460 N4 DC B 7 -2.064 -2.608 5.782 1.00 0.00 N ATOM 461 C5 DC B 7 -3.766 -3.372 4.316 1.00 0.00 C ATOM 462 C6 DC B 7 -4.159 -3.466 3.037 1.00 0.00 C ATOM 0 H5' DC B 7 -7.128 -1.780 -0.270 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.591 -3.052 -1.382 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.272 -2.947 -1.637 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.166 -5.244 -0.109 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.196 -5.262 1.290 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.206 -5.191 -0.154 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.940 -2.898 -0.011 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.609 -2.968 6.565 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.175 -2.139 5.952 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.374 -3.750 5.125 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.117 -3.907 2.805 1.00 0.00 H new ATOM 474 P DT B 8 -6.111 -5.830 -2.741 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.342 -5.017 -2.613 1.00 0.00 O ATOM 476 OP2 DT B 8 -6.251 -7.301 -2.822 1.00 0.00 O ATOM 477 O5' DT B 8 -5.408 -5.485 -4.120 1.00 0.00 O ATOM 478 C5' DT B 8 -5.609 -4.271 -4.800 1.00 0.00 C ATOM 479 C4' DT B 8 -4.665 -4.196 -6.002 1.00 0.00 C ATOM 480 O4' DT B 8 -3.477 -3.574 -5.572 1.00 0.00 O ATOM 481 C3' DT B 8 -4.283 -5.550 -6.641 1.00 0.00 C ATOM 482 O3' DT B 8 -4.780 -5.755 -7.942 1.00 0.00 O ATOM 483 C2' DT B 8 -2.772 -5.497 -6.726 1.00 0.00 C ATOM 484 C1' DT B 8 -2.367 -4.110 -6.249 1.00 0.00 C ATOM 485 N1 DT B 8 -1.248 -4.251 -5.299 1.00 0.00 N ATOM 486 C2 DT B 8 0.018 -4.399 -5.836 1.00 0.00 C ATOM 487 O2 DT B 8 0.256 -4.348 -7.036 1.00 0.00 O ATOM 488 N3 DT B 8 1.037 -4.645 -4.956 1.00 0.00 N ATOM 489 C4 DT B 8 0.915 -4.702 -3.591 1.00 0.00 C ATOM 490 O4 DT B 8 1.923 -4.898 -2.922 1.00 0.00 O ATOM 491 C5 DT B 8 -0.436 -4.519 -3.086 1.00 0.00 C ATOM 492 C7 DT B 8 -0.690 -4.464 -1.591 1.00 0.00 C ATOM 493 C6 DT B 8 -1.469 -4.326 -3.944 1.00 0.00 C ATOM 0 H5' DT B 8 -5.427 -3.432 -4.129 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.644 -4.195 -5.132 1.00 0.00 H new ATOM 0 H4' DT B 8 -5.204 -3.646 -6.773 1.00 0.00 H new ATOM 0 H3' DT B 8 -4.703 -6.359 -6.042 1.00 0.00 H new ATOM 0 H2' DT B 8 -2.320 -6.270 -6.104 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.433 -5.671 -7.747 1.00 0.00 H new ATOM 0 H1' DT B 8 -2.064 -3.471 -7.078 1.00 0.00 H new ATOM 0 H3 DT B 8 1.966 -4.799 -5.348 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.554 -3.831 -1.392 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.883 -5.470 -1.218 1.00 0.00 H new ATOM 0 H73 DT B 8 0.185 -4.052 -1.088 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.474 -4.230 -3.559 1.00 0.00 H new TER 506 DT B 8