USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 12 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.32 (180deg=-2.7!) USER MOD Single : A 1 DG O5' : rot 45:sc= 1.31 USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-2.48!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 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 6.982 2.456 2.735 1.00 0.00 O ATOM 2 C5' DG A 1 7.763 3.183 3.676 1.00 0.00 C ATOM 3 C4' DG A 1 7.307 2.928 5.117 1.00 0.00 C ATOM 4 O4' DG A 1 5.945 3.307 5.225 1.00 0.00 O ATOM 5 C3' DG A 1 7.405 1.454 5.524 1.00 0.00 C ATOM 6 O3' DG A 1 7.841 1.387 6.873 1.00 0.00 O ATOM 7 C2' DG A 1 5.971 0.968 5.388 1.00 0.00 C ATOM 8 C1' DG A 1 5.228 2.227 5.790 1.00 0.00 C ATOM 9 N9 DG A 1 3.834 2.185 5.329 1.00 0.00 N ATOM 10 C8 DG A 1 2.734 1.946 6.103 1.00 0.00 C ATOM 11 N7 DG A 1 1.601 2.092 5.476 1.00 0.00 N ATOM 12 C5 DG A 1 1.992 2.356 4.160 1.00 0.00 C ATOM 13 C6 DG A 1 1.203 2.557 2.984 1.00 0.00 C ATOM 14 O6 DG A 1 -0.017 2.619 2.898 1.00 0.00 O ATOM 15 N1 DG A 1 1.956 2.679 1.832 1.00 0.00 N ATOM 16 C2 DG A 1 3.321 2.630 1.808 1.00 0.00 C ATOM 17 N2 DG A 1 3.913 2.702 0.637 1.00 0.00 N ATOM 18 N3 DG A 1 4.098 2.505 2.891 1.00 0.00 N ATOM 19 C4 DG A 1 3.365 2.360 4.044 1.00 0.00 C ATOM 0 H5' DG A 1 7.695 4.249 3.457 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.811 2.902 3.572 1.00 0.00 H new ATOM 0 H4' DG A 1 7.961 3.505 5.770 1.00 0.00 H new ATOM 0 H3' DG A 1 8.102 0.862 4.931 1.00 0.00 H new ATOM 0 H2' DG A 1 5.733 0.650 4.373 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.752 0.127 6.045 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.033 2.542 2.962 1.00 0.00 H new ATOM 0 H1' DG A 1 5.175 2.332 6.874 1.00 0.00 H new ATOM 0 H8 DG A 1 2.798 1.661 7.143 1.00 0.00 H new ATOM 0 H1 DG A 1 1.464 2.813 0.948 1.00 0.00 H new ATOM 0 H21 DG A 1 4.931 2.669 0.577 1.00 0.00 H new ATOM 0 H22 DG A 1 3.355 2.791 -0.212 1.00 0.00 H new ATOM 32 P DG A 2 8.326 0.002 7.518 1.00 0.00 P ATOM 33 OP1 DG A 2 9.087 0.262 8.752 1.00 0.00 O ATOM 34 OP2 DG A 2 8.990 -0.781 6.452 1.00 0.00 O ATOM 35 O5' DG A 2 6.975 -0.767 7.910 1.00 0.00 O ATOM 36 C5' DG A 2 6.194 -0.376 9.029 1.00 0.00 C ATOM 37 C4' DG A 2 4.855 -1.123 9.058 1.00 0.00 C ATOM 38 O4' DG A 2 4.036 -0.679 7.983 1.00 0.00 O ATOM 39 C3' DG A 2 5.039 -2.642 8.937 1.00 0.00 C ATOM 40 O3' DG A 2 4.380 -3.314 9.994 1.00 0.00 O ATOM 41 C2' DG A 2 4.366 -2.986 7.620 1.00 0.00 C ATOM 42 C1' DG A 2 3.409 -1.812 7.420 1.00 0.00 C ATOM 43 N9 DG A 2 3.045 -1.563 6.017 1.00 0.00 N ATOM 44 C8 DG A 2 3.857 -1.606 4.922 1.00 0.00 C ATOM 45 N7 DG A 2 3.281 -1.301 3.796 1.00 0.00 N ATOM 46 C5 DG A 2 1.957 -1.088 4.177 1.00 0.00 C ATOM 47 C6 DG A 2 0.814 -0.773 3.383 1.00 0.00 C ATOM 48 O6 DG A 2 0.769 -0.599 2.171 1.00 0.00 O ATOM 49 N1 DG A 2 -0.352 -0.693 4.118 1.00 0.00 N ATOM 50 C2 DG A 2 -0.423 -0.898 5.466 1.00 0.00 C ATOM 51 N2 DG A 2 -1.612 -0.881 6.026 1.00 0.00 N ATOM 52 N3 DG A 2 0.626 -1.191 6.241 1.00 0.00 N ATOM 53 C4 DG A 2 1.795 -1.267 5.533 1.00 0.00 C ATOM 0 H5' DG A 2 6.014 0.698 8.992 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.745 -0.576 9.948 1.00 0.00 H new ATOM 0 H4' DG A 2 4.386 -0.909 10.018 1.00 0.00 H new ATOM 0 H3' DG A 2 6.088 -2.936 8.979 1.00 0.00 H new ATOM 0 H2' DG A 2 5.086 -3.066 6.805 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.836 -3.937 7.672 1.00 0.00 H new ATOM 0 H1' DG A 2 2.463 -2.046 7.908 1.00 0.00 H new ATOM 0 H8 DG A 2 4.901 -1.874 4.985 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.215 -0.467 3.623 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.705 -1.030 7.031 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.442 -0.718 5.456 1.00 0.00 H new HETATM 65 P TAF A 3 4.943 -4.720 10.540 1.00 0.00 P HETATM 66 OP1 TAF A 3 4.044 -5.205 11.606 1.00 0.00 O HETATM 67 OP2 TAF A 3 6.392 -4.567 10.792 1.00 0.00 O HETATM 68 O5' TAF A 3 4.764 -5.690 9.272 1.00 0.00 O HETATM 69 N1 TAF A 3 1.845 -7.497 6.812 1.00 0.00 N HETATM 70 C6 TAF A 3 1.564 -6.328 7.486 1.00 0.00 C HETATM 71 C2 TAF A 3 0.829 -8.260 6.239 1.00 0.00 C HETATM 72 O2 TAF A 3 1.023 -9.292 5.607 1.00 0.00 O HETATM 73 N3 TAF A 3 -0.459 -7.804 6.412 1.00 0.00 N HETATM 74 C4 TAF A 3 -0.821 -6.641 7.059 1.00 0.00 C HETATM 75 O4 TAF A 3 -2.019 -6.376 7.158 1.00 0.00 O HETATM 76 C5 TAF A 3 0.294 -5.859 7.587 1.00 0.00 C HETATM 77 C5M TAF A 3 0.061 -4.514 8.244 1.00 0.00 C HETATM 78 F2' TAF A 3 3.596 -5.836 5.517 1.00 0.00 F HETATM 79 C2' TAF A 3 4.136 -7.078 5.809 1.00 0.00 C HETATM 80 C5' TAF A 3 5.491 -6.906 9.192 1.00 0.00 C HETATM 81 C4' TAF A 3 5.136 -7.699 7.933 1.00 0.00 C HETATM 82 O4' TAF A 3 3.772 -8.059 7.977 1.00 0.00 O HETATM 83 C1' TAF A 3 3.240 -7.978 6.674 1.00 0.00 C HETATM 84 C3' TAF A 3 5.385 -6.888 6.659 1.00 0.00 C HETATM 85 O3' TAF A 3 6.561 -7.337 5.988 1.00 0.00 O HETATM 0 H5'' TAF A 3 6.560 -6.691 9.197 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.425 -4.543 9.271 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.595 -3.742 7.691 1.00 0.00 H new HETATM 0 H71 TAF A 3 -1.005 -4.289 8.243 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.378 -5.769 7.947 1.00 0.00 H new HETATM 0 H5' TAF A 3 5.283 -7.512 10.074 1.00 0.00 H new HETATM 0 H4' TAF A 3 5.773 -8.583 7.909 1.00 0.00 H new HETATM 0 H3' TAF A 3 5.557 -5.833 6.873 1.00 0.00 H new HETATM 0 H3 TAF A 3 -1.211 -8.376 6.028 1.00 0.00 H new HETATM 0 H2' TAF A 3 4.299 -7.543 4.837 1.00 0.00 H new HETATM 0 H1' TAF A 3 3.218 -8.940 6.161 1.00 0.00 H new ATOM 97 P DT A 4 7.429 -6.344 5.058 1.00 0.00 P ATOM 98 OP1 DT A 4 8.616 -7.082 4.578 1.00 0.00 O ATOM 99 OP2 DT A 4 7.603 -5.069 5.789 1.00 0.00 O ATOM 100 O5' DT A 4 6.458 -6.070 3.802 1.00 0.00 O ATOM 101 C5' DT A 4 6.385 -6.978 2.714 1.00 0.00 C ATOM 102 C4' DT A 4 5.755 -6.322 1.486 1.00 0.00 C ATOM 103 O4' DT A 4 4.355 -6.175 1.584 1.00 0.00 O ATOM 104 C3' DT A 4 6.332 -4.936 1.167 1.00 0.00 C ATOM 105 O3' DT A 4 6.572 -4.816 -0.213 1.00 0.00 O ATOM 106 C2' DT A 4 5.163 -4.022 1.444 1.00 0.00 C ATOM 107 C1' DT A 4 4.065 -4.949 0.939 1.00 0.00 C ATOM 108 N1 DT A 4 2.728 -4.475 1.303 1.00 0.00 N ATOM 109 C2 DT A 4 1.823 -4.079 0.315 1.00 0.00 C ATOM 110 O2 DT A 4 2.087 -4.034 -0.891 1.00 0.00 O ATOM 111 N3 DT A 4 0.556 -3.774 0.779 1.00 0.00 N ATOM 112 C4 DT A 4 0.104 -3.904 2.064 1.00 0.00 C ATOM 113 O4 DT A 4 -1.089 -3.705 2.265 1.00 0.00 O ATOM 114 C5 DT A 4 1.118 -4.300 3.035 1.00 0.00 C ATOM 115 C7 DT A 4 0.758 -4.444 4.496 1.00 0.00 C ATOM 116 C6 DT A 4 2.387 -4.552 2.622 1.00 0.00 C ATOM 0 H5' DT A 4 5.799 -7.850 3.004 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.385 -7.334 2.466 1.00 0.00 H new ATOM 0 H4' DT A 4 6.001 -7.018 0.684 1.00 0.00 H new ATOM 0 H3' DT A 4 7.250 -4.737 1.720 1.00 0.00 H new ATOM 0 H2' DT A 4 5.058 -3.769 2.499 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.215 -3.082 0.895 1.00 0.00 H new ATOM 0 H1' DT A 4 4.052 -5.018 -0.149 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.109 -3.416 0.094 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.050 -3.755 4.741 1.00 0.00 H new ATOM 0 H72 DT A 4 0.435 -5.466 4.692 1.00 0.00 H new ATOM 0 H73 DT A 4 1.629 -4.215 5.110 1.00 0.00 H new ATOM 0 H6 DT A 4 3.139 -4.818 3.350 1.00 0.00 H new ATOM 129 P DG A 5 8.036 -4.891 -0.800 1.00 0.00 P ATOM 130 OP1 DG A 5 8.424 -6.304 -0.938 1.00 0.00 O ATOM 131 OP2 DG A 5 8.883 -3.980 0.005 1.00 0.00 O ATOM 132 O5' DG A 5 7.805 -4.229 -2.224 1.00 0.00 O ATOM 133 C5' DG A 5 7.774 -2.824 -2.336 1.00 0.00 C ATOM 134 C4' DG A 5 7.298 -2.455 -3.730 1.00 0.00 C ATOM 135 O4' DG A 5 5.878 -2.550 -3.765 1.00 0.00 O ATOM 136 C3' DG A 5 7.673 -1.003 -4.036 1.00 0.00 C ATOM 137 O3' DG A 5 7.977 -0.905 -5.418 1.00 0.00 O ATOM 138 C2' DG A 5 6.390 -0.277 -3.674 1.00 0.00 C ATOM 139 C1' DG A 5 5.385 -1.297 -4.186 1.00 0.00 C ATOM 140 N9 DG A 5 3.991 -1.075 -3.747 1.00 0.00 N ATOM 141 C8 DG A 5 2.898 -1.016 -4.573 1.00 0.00 C ATOM 142 N7 DG A 5 1.757 -0.895 -3.957 1.00 0.00 N ATOM 143 C5 DG A 5 2.128 -0.831 -2.612 1.00 0.00 C ATOM 144 C6 DG A 5 1.314 -0.692 -1.445 1.00 0.00 C ATOM 145 O6 DG A 5 0.093 -0.603 -1.388 1.00 0.00 O ATOM 146 N1 DG A 5 2.032 -0.665 -0.267 1.00 0.00 N ATOM 147 C2 DG A 5 3.389 -0.781 -0.208 1.00 0.00 C ATOM 148 N2 DG A 5 3.938 -0.810 0.987 1.00 0.00 N ATOM 149 N3 DG A 5 4.182 -0.912 -1.276 1.00 0.00 N ATOM 150 C4 DG A 5 3.495 -0.931 -2.462 1.00 0.00 C ATOM 0 H5' DG A 5 8.765 -2.409 -2.153 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.107 -2.400 -1.585 1.00 0.00 H new ATOM 0 H4' DG A 5 7.758 -3.125 -4.457 1.00 0.00 H new ATOM 0 H3' DG A 5 8.539 -0.606 -3.506 1.00 0.00 H new ATOM 0 H2' DG A 5 6.297 -0.095 -2.603 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.299 0.689 -4.170 1.00 0.00 H new ATOM 0 H1' DG A 5 5.307 -1.219 -5.270 1.00 0.00 H new ATOM 0 H8 DG A 5 2.977 -1.066 -5.649 1.00 0.00 H new ATOM 0 H1 DG A 5 1.519 -0.552 0.608 1.00 0.00 H new ATOM 0 H21 DG A 5 4.950 -0.896 1.081 1.00 0.00 H new ATOM 0 H22 DG A 5 3.352 -0.747 1.819 1.00 0.00 H new ATOM 162 P DG A 6 8.538 0.452 -6.088 1.00 0.00 P ATOM 163 OP1 DG A 6 9.176 0.092 -7.370 1.00 0.00 O ATOM 164 OP2 DG A 6 9.287 1.200 -5.055 1.00 0.00 O ATOM 165 O5' DG A 6 7.178 1.254 -6.412 1.00 0.00 O ATOM 166 C5' DG A 6 6.286 0.784 -7.405 1.00 0.00 C ATOM 167 C4' DG A 6 4.922 1.468 -7.314 1.00 0.00 C ATOM 168 O4' DG A 6 4.344 1.295 -6.032 1.00 0.00 O ATOM 169 C3' DG A 6 4.963 2.977 -7.587 1.00 0.00 C ATOM 170 O3' DG A 6 4.372 3.213 -8.850 1.00 0.00 O ATOM 171 C2' DG A 6 4.158 3.589 -6.437 1.00 0.00 C ATOM 172 C1' DG A 6 3.457 2.373 -5.847 1.00 0.00 C ATOM 173 N9 DG A 6 3.093 2.538 -4.426 1.00 0.00 N ATOM 174 C8 DG A 6 3.895 2.703 -3.319 1.00 0.00 C ATOM 175 N7 DG A 6 3.244 2.759 -2.192 1.00 0.00 N ATOM 176 C5 DG A 6 1.911 2.678 -2.587 1.00 0.00 C ATOM 177 C6 DG A 6 0.716 2.727 -1.807 1.00 0.00 C ATOM 178 O6 DG A 6 0.622 2.834 -0.589 1.00 0.00 O ATOM 179 N1 DG A 6 -0.434 2.661 -2.570 1.00 0.00 N ATOM 180 C2 DG A 6 -0.443 2.582 -3.932 1.00 0.00 C ATOM 181 N2 DG A 6 -1.608 2.570 -4.538 1.00 0.00 N ATOM 182 N3 DG A 6 0.654 2.508 -4.691 1.00 0.00 N ATOM 183 C4 DG A 6 1.804 2.569 -3.954 1.00 0.00 C ATOM 0 H5' DG A 6 6.160 -0.294 -7.299 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.715 0.959 -8.391 1.00 0.00 H new ATOM 0 H4' DG A 6 4.327 0.986 -8.090 1.00 0.00 H new ATOM 0 H3' DG A 6 5.964 3.407 -7.624 1.00 0.00 H new ATOM 0 H2' DG A 6 4.801 4.081 -5.707 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.447 4.336 -6.791 1.00 0.00 H new ATOM 0 H1' DG A 6 2.503 2.209 -6.349 1.00 0.00 H new ATOM 0 H8 DG A 6 4.971 2.779 -3.380 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.331 2.672 -2.085 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.653 2.512 -5.555 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.468 2.619 -3.991 1.00 0.00 H new ATOM 195 P DT A 7 4.191 4.696 -9.445 1.00 0.00 P ATOM 196 OP1 DT A 7 4.260 4.613 -10.918 1.00 0.00 O ATOM 197 OP2 DT A 7 5.023 5.666 -8.668 1.00 0.00 O ATOM 198 O5' DT A 7 2.663 4.916 -9.039 1.00 0.00 O ATOM 199 C5' DT A 7 1.961 6.084 -9.409 1.00 0.00 C ATOM 200 C4' DT A 7 0.452 5.866 -9.274 1.00 0.00 C ATOM 201 O4' DT A 7 0.063 4.856 -10.192 1.00 0.00 O ATOM 202 C3' DT A 7 0.028 5.393 -7.872 1.00 0.00 C ATOM 203 O3' DT A 7 -1.266 5.867 -7.568 1.00 0.00 O ATOM 204 C2' DT A 7 -0.082 3.892 -8.028 1.00 0.00 C ATOM 205 C1' DT A 7 -0.591 3.833 -9.467 1.00 0.00 C ATOM 206 N1 DT A 7 -0.333 2.519 -10.092 1.00 0.00 N ATOM 207 C2 DT A 7 -1.419 1.819 -10.625 1.00 0.00 C ATOM 208 O2 DT A 7 -2.573 2.240 -10.634 1.00 0.00 O ATOM 209 N3 DT A 7 -1.148 0.579 -11.154 1.00 0.00 N ATOM 210 C4 DT A 7 0.094 -0.025 -11.206 1.00 0.00 C ATOM 211 O4 DT A 7 0.173 -1.141 -11.706 1.00 0.00 O ATOM 212 C5 DT A 7 1.187 0.767 -10.641 1.00 0.00 C ATOM 213 C7 DT A 7 2.613 0.247 -10.667 1.00 0.00 C ATOM 214 C6 DT A 7 0.941 1.997 -10.118 1.00 0.00 C ATOM 0 H5' DT A 7 2.205 6.352 -10.437 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.272 6.918 -8.779 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.026 6.826 -9.467 1.00 0.00 H new ATOM 0 H3' DT A 7 0.719 5.730 -7.099 1.00 0.00 H new ATOM 0 H2' DT A 7 0.874 3.385 -7.899 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.778 3.445 -7.318 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.672 3.975 -9.474 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.934 0.058 -11.543 1.00 0.00 H new ATOM 0 H71 DT A 7 3.306 1.087 -10.721 1.00 0.00 H new ATOM 0 H72 DT A 7 2.808 -0.326 -9.761 1.00 0.00 H new ATOM 0 H73 DT A 7 2.751 -0.394 -11.538 1.00 0.00 H new ATOM 0 H6 DT A 7 1.759 2.575 -9.716 1.00 0.00 H new ATOM 227 P DG A 8 -1.503 7.338 -6.982 1.00 0.00 P ATOM 228 OP1 DG A 8 -2.775 7.841 -7.541 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.249 8.105 -7.155 1.00 0.00 O ATOM 230 O5' DG A 8 -1.688 6.988 -5.424 1.00 0.00 O ATOM 231 C5' DG A 8 -2.774 6.188 -4.976 1.00 0.00 C ATOM 232 C4' DG A 8 -2.850 6.126 -3.446 1.00 0.00 C ATOM 233 O4' DG A 8 -1.779 5.354 -2.932 1.00 0.00 O ATOM 234 C3' DG A 8 -2.823 7.513 -2.797 1.00 0.00 C ATOM 235 O3' DG A 8 -3.990 7.740 -2.035 1.00 0.00 O ATOM 236 C2' DG A 8 -1.618 7.494 -1.867 1.00 0.00 C ATOM 237 C1' DG A 8 -1.047 6.078 -1.961 1.00 0.00 C ATOM 238 N9 DG A 8 0.373 6.104 -2.372 1.00 0.00 N ATOM 239 C8 DG A 8 0.889 6.117 -3.642 1.00 0.00 C ATOM 240 N7 DG A 8 2.193 6.106 -3.699 1.00 0.00 N ATOM 241 C5 DG A 8 2.574 6.098 -2.355 1.00 0.00 C ATOM 242 C6 DG A 8 3.872 6.076 -1.742 1.00 0.00 C ATOM 243 O6 DG A 8 4.983 6.070 -2.265 1.00 0.00 O ATOM 244 N1 DG A 8 3.825 6.065 -0.358 1.00 0.00 N ATOM 245 C2 DG A 8 2.666 6.089 0.361 1.00 0.00 C ATOM 246 N2 DG A 8 2.755 6.076 1.672 1.00 0.00 N ATOM 247 N3 DG A 8 1.446 6.125 -0.170 1.00 0.00 N ATOM 248 C4 DG A 8 1.464 6.115 -1.536 1.00 0.00 C ATOM 0 H5' DG A 8 -2.669 5.179 -5.375 1.00 0.00 H new ATOM 0 H5'' DG A 8 -3.707 6.591 -5.369 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.805 5.661 -3.201 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.769 8.298 -3.551 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.878 8.236 -2.169 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.909 7.732 -0.844 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.123 5.609 -0.980 1.00 0.00 H new ATOM 0 H8 DG A 8 0.267 6.135 -4.524 1.00 0.00 H new ATOM 0 H1 DG A 8 4.707 6.037 0.153 1.00 0.00 H new ATOM 0 H21 DG A 8 1.909 6.093 2.241 1.00 0.00 H new ATOM 0 H22 DG A 8 3.671 6.049 2.121 1.00 0.00 H new ATOM 260 P DT A 9 -5.278 8.442 -2.695 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.431 7.935 -4.077 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.188 9.893 -2.435 1.00 0.00 O ATOM 263 O5' DT A 9 -6.456 7.822 -1.807 1.00 0.00 O ATOM 264 C5' DT A 9 -7.072 6.599 -2.172 1.00 0.00 C ATOM 265 C4' DT A 9 -7.984 6.102 -1.056 1.00 0.00 C ATOM 266 O4' DT A 9 -7.189 5.710 0.047 1.00 0.00 O ATOM 267 C3' DT A 9 -8.959 7.176 -0.549 1.00 0.00 C ATOM 268 O3' DT A 9 -10.277 6.661 -0.472 1.00 0.00 O ATOM 269 C2' DT A 9 -8.463 7.459 0.861 1.00 0.00 C ATOM 270 C1' DT A 9 -7.841 6.118 1.228 1.00 0.00 C ATOM 271 N1 DT A 9 -6.897 6.242 2.368 1.00 0.00 N ATOM 272 C2 DT A 9 -7.441 6.400 3.645 1.00 0.00 C ATOM 273 O2 DT A 9 -8.642 6.384 3.892 1.00 0.00 O ATOM 274 N3 DT A 9 -6.552 6.578 4.681 1.00 0.00 N ATOM 275 C4 DT A 9 -5.177 6.521 4.578 1.00 0.00 C ATOM 276 O4 DT A 9 -4.519 6.623 5.606 1.00 0.00 O ATOM 277 C5 DT A 9 -4.667 6.342 3.216 1.00 0.00 C ATOM 278 C7 DT A 9 -3.173 6.263 2.940 1.00 0.00 C ATOM 279 C6 DT A 9 -5.529 6.219 2.174 1.00 0.00 C ATOM 0 H5' DT A 9 -6.309 5.851 -2.385 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.649 6.735 -3.087 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.563 5.278 -1.472 1.00 0.00 H new ATOM 0 H3' DT A 9 -8.989 8.051 -1.199 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.736 8.271 0.887 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.274 7.735 1.535 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.583 5.393 1.563 1.00 0.00 H new ATOM 0 H3 DT A 9 -6.943 6.768 5.604 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.997 5.635 2.066 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.784 7.264 2.752 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.666 5.833 3.804 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.138 6.101 1.174 1.00 0.00 H new ATOM 292 P DG A 10 -11.292 6.812 -1.712 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.217 8.206 -2.197 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.593 6.236 -1.315 1.00 0.00 O ATOM 295 O5' DG A 10 -10.643 5.862 -2.837 1.00 0.00 O ATOM 296 C5' DG A 10 -10.849 4.462 -2.835 1.00 0.00 C ATOM 297 C4' DG A 10 -10.104 3.853 -4.020 1.00 0.00 C ATOM 298 O4' DG A 10 -8.700 4.010 -3.859 1.00 0.00 O ATOM 299 C3' DG A 10 -10.363 2.347 -4.180 1.00 0.00 C ATOM 300 O3' DG A 10 -10.636 2.111 -5.556 1.00 0.00 O ATOM 301 C2' DG A 10 -9.031 1.744 -3.743 1.00 0.00 C ATOM 302 C1' DG A 10 -8.107 2.811 -4.307 1.00 0.00 C ATOM 303 N9 DG A 10 -6.690 2.691 -3.858 1.00 0.00 N ATOM 304 C8 DG A 10 -5.550 2.536 -4.626 1.00 0.00 C ATOM 305 N7 DG A 10 -4.438 2.615 -3.954 1.00 0.00 N ATOM 306 C5 DG A 10 -4.858 2.763 -2.635 1.00 0.00 C ATOM 307 C6 DG A 10 -4.085 2.859 -1.436 1.00 0.00 C ATOM 308 O6 DG A 10 -2.865 2.881 -1.322 1.00 0.00 O ATOM 309 N1 DG A 10 -4.849 2.907 -0.289 1.00 0.00 N ATOM 310 C2 DG A 10 -6.210 2.860 -0.284 1.00 0.00 C ATOM 311 N2 DG A 10 -6.804 2.822 0.891 1.00 0.00 N ATOM 312 N3 DG A 10 -6.963 2.801 -1.390 1.00 0.00 N ATOM 313 C4 DG A 10 -6.231 2.757 -2.549 1.00 0.00 C ATOM 0 H5' DG A 10 -11.913 4.237 -2.903 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.490 4.029 -1.901 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.474 4.380 -4.899 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.198 1.935 -3.613 1.00 0.00 H new ATOM 0 H2' DG A 10 -8.948 1.641 -2.661 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.851 0.758 -4.172 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.021 2.737 -5.391 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.580 2.364 -5.692 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.367 2.982 0.607 1.00 0.00 H new ATOM 0 H21 DG A 10 -7.822 2.786 0.947 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.246 2.828 1.745 1.00 0.00 H new ATOM 325 P DG A 11 -11.091 0.667 -6.112 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.810 0.886 -7.386 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.735 -0.061 -5.001 1.00 0.00 O ATOM 328 O5' DG A 11 -9.673 -0.017 -6.443 1.00 0.00 O ATOM 329 C5' DG A 11 -8.897 0.428 -7.540 1.00 0.00 C ATOM 330 C4' DG A 11 -7.530 -0.254 -7.570 1.00 0.00 C ATOM 331 O4' DG A 11 -6.822 0.054 -6.381 1.00 0.00 O ATOM 332 C3' DG A 11 -7.638 -1.777 -7.690 1.00 0.00 C ATOM 333 O3' DG A 11 -6.892 -2.217 -8.807 1.00 0.00 O ATOM 334 C2' DG A 11 -6.994 -2.300 -6.414 1.00 0.00 C ATOM 335 C1' DG A 11 -6.139 -1.110 -5.982 1.00 0.00 C ATOM 336 N9 DG A 11 -5.816 -1.024 -4.544 1.00 0.00 N ATOM 337 C8 DG A 11 -6.628 -1.120 -3.431 1.00 0.00 C ATOM 338 N7 DG A 11 -6.000 -0.918 -2.307 1.00 0.00 N ATOM 339 C5 DG A 11 -4.676 -0.723 -2.692 1.00 0.00 C ATOM 340 C6 DG A 11 -3.499 -0.551 -1.900 1.00 0.00 C ATOM 341 O6 DG A 11 -3.417 -0.490 -0.680 1.00 0.00 O ATOM 342 N1 DG A 11 -2.338 -0.501 -2.643 1.00 0.00 N ATOM 343 C2 DG A 11 -2.299 -0.623 -4.001 1.00 0.00 C ATOM 344 N2 DG A 11 -1.119 -0.737 -4.571 1.00 0.00 N ATOM 345 N3 DG A 11 -3.379 -0.760 -4.776 1.00 0.00 N ATOM 346 C4 DG A 11 -4.547 -0.798 -4.058 1.00 0.00 C ATOM 0 H5' DG A 11 -8.765 1.508 -7.480 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.428 0.223 -8.470 1.00 0.00 H new ATOM 0 H4' DG A 11 -7.005 0.119 -8.449 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.665 -2.118 -7.817 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.736 -2.565 -5.661 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.392 -3.191 -6.595 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.168 -1.235 -6.461 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.684 -1.342 -3.487 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.457 -0.365 -2.148 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.049 -0.830 -5.584 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.274 -0.732 -4.000 1.00 0.00 H new ATOM 358 P DT A 12 -7.319 -3.535 -9.619 1.00 0.00 P ATOM 359 OP1 DT A 12 -6.285 -3.783 -10.652 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.737 -3.411 -10.005 1.00 0.00 O ATOM 361 O5' DT A 12 -7.173 -4.697 -8.519 1.00 0.00 O ATOM 362 C5' DT A 12 -8.088 -5.779 -8.481 1.00 0.00 C ATOM 363 C4' DT A 12 -7.795 -6.698 -7.296 1.00 0.00 C ATOM 364 O4' DT A 12 -6.467 -7.171 -7.384 1.00 0.00 O ATOM 365 C3' DT A 12 -7.949 -5.975 -5.959 1.00 0.00 C ATOM 366 O3' DT A 12 -9.147 -6.368 -5.312 1.00 0.00 O ATOM 367 C2' DT A 12 -6.739 -6.403 -5.142 1.00 0.00 C ATOM 368 C1' DT A 12 -5.953 -7.326 -6.082 1.00 0.00 C ATOM 369 N1 DT A 12 -4.512 -6.980 -6.133 1.00 0.00 N ATOM 370 C2 DT A 12 -3.589 -7.934 -5.702 1.00 0.00 C ATOM 371 O2 DT A 12 -3.899 -9.059 -5.328 1.00 0.00 O ATOM 372 N3 DT A 12 -2.263 -7.554 -5.690 1.00 0.00 N ATOM 373 C4 DT A 12 -1.772 -6.305 -6.024 1.00 0.00 C ATOM 374 O4 DT A 12 -0.568 -6.077 -5.872 1.00 0.00 O ATOM 375 C5 DT A 12 -2.793 -5.367 -6.492 1.00 0.00 C ATOM 376 C7 DT A 12 -2.404 -3.947 -6.847 1.00 0.00 C ATOM 377 C6 DT A 12 -4.101 -5.731 -6.548 1.00 0.00 C ATOM 0 H5' DT A 12 -8.026 -6.346 -9.410 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.106 -5.397 -8.407 1.00 0.00 H new ATOM 0 H4' DT A 12 -8.512 -7.518 -7.337 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.002 -4.893 -6.083 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.141 -5.544 -4.837 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.038 -6.923 -4.232 1.00 0.00 H new ATOM 0 H1' DT A 12 -6.055 -8.345 -5.709 1.00 0.00 H new ATOM 0 H3 DT A 12 -1.582 -8.259 -5.409 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.553 -3.640 -6.239 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.134 -3.897 -7.902 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.245 -3.281 -6.656 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.831 -5.030 -6.924 1.00 0.00 H new ATOM 390 P DT A 13 -9.963 -5.300 -4.428 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.224 -6.012 -4.115 1.00 0.00 O ATOM 392 OP2 DT A 13 -9.984 -4.034 -5.173 1.00 0.00 O ATOM 393 O5' DT A 13 -9.101 -5.130 -3.083 1.00 0.00 O ATOM 394 C5' DT A 13 -9.336 -5.978 -1.972 1.00 0.00 C ATOM 395 C4' DT A 13 -8.679 -5.480 -0.689 1.00 0.00 C ATOM 396 O4' DT A 13 -7.278 -5.649 -0.674 1.00 0.00 O ATOM 397 C3' DT A 13 -8.999 -4.029 -0.316 1.00 0.00 C ATOM 398 O3' DT A 13 -9.570 -4.079 0.973 1.00 0.00 O ATOM 399 C2' DT A 13 -7.629 -3.426 -0.139 1.00 0.00 C ATOM 400 C1' DT A 13 -6.762 -4.633 0.169 1.00 0.00 C ATOM 401 N1 DT A 13 -5.370 -4.329 -0.202 1.00 0.00 N ATOM 402 C2 DT A 13 -4.404 -4.075 0.772 1.00 0.00 C ATOM 403 O2 DT A 13 -4.637 -4.079 1.978 1.00 0.00 O ATOM 404 N3 DT A 13 -3.134 -3.828 0.280 1.00 0.00 N ATOM 405 C4 DT A 13 -2.740 -3.857 -1.030 1.00 0.00 C ATOM 406 O4 DT A 13 -1.541 -3.725 -1.267 1.00 0.00 O ATOM 407 C5 DT A 13 -3.820 -4.059 -1.987 1.00 0.00 C ATOM 408 C7 DT A 13 -3.497 -4.088 -3.464 1.00 0.00 C ATOM 409 C6 DT A 13 -5.088 -4.264 -1.539 1.00 0.00 C ATOM 0 H5' DT A 13 -8.963 -6.977 -2.200 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.410 -6.067 -1.812 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.132 -6.123 0.065 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.640 -3.505 -1.025 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.296 -2.909 -1.039 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.610 -2.698 0.672 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.772 -4.919 1.221 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.415 -3.600 0.967 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.631 -3.455 -3.660 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.275 -5.111 -3.768 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.352 -3.719 -4.031 1.00 0.00 H new ATOM 0 H6 DT A 13 -5.889 -4.378 -2.254 1.00 0.00 H new ATOM 422 P DG A 14 -10.909 -3.316 1.383 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.985 -4.321 1.501 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.074 -2.125 0.521 1.00 0.00 O ATOM 425 O5' DG A 14 -10.475 -2.856 2.859 1.00 0.00 O ATOM 426 C5' DG A 14 -10.447 -1.501 3.253 1.00 0.00 C ATOM 427 C4' DG A 14 -10.152 -1.449 4.756 1.00 0.00 C ATOM 428 O4' DG A 14 -8.811 -1.862 5.003 1.00 0.00 O ATOM 429 C3' DG A 14 -10.285 -0.026 5.307 1.00 0.00 C ATOM 430 O3' DG A 14 -10.686 -0.095 6.668 1.00 0.00 O ATOM 431 C2' DG A 14 -8.854 0.468 5.181 1.00 0.00 C ATOM 432 C1' DG A 14 -8.118 -0.782 5.598 1.00 0.00 C ATOM 433 N9 DG A 14 -6.707 -0.706 5.189 1.00 0.00 N ATOM 434 C8 DG A 14 -5.640 -0.560 6.025 1.00 0.00 C ATOM 435 N7 DG A 14 -4.478 -0.592 5.436 1.00 0.00 N ATOM 436 C5 DG A 14 -4.816 -0.669 4.081 1.00 0.00 C ATOM 437 C6 DG A 14 -3.986 -0.661 2.916 1.00 0.00 C ATOM 438 O6 DG A 14 -2.762 -0.661 2.861 1.00 0.00 O ATOM 439 N1 DG A 14 -4.694 -0.604 1.733 1.00 0.00 N ATOM 440 C2 DG A 14 -6.052 -0.555 1.666 1.00 0.00 C ATOM 441 N2 DG A 14 -6.603 -0.423 0.481 1.00 0.00 N ATOM 442 N3 DG A 14 -6.857 -0.612 2.725 1.00 0.00 N ATOM 443 C4 DG A 14 -6.182 -0.669 3.914 1.00 0.00 C ATOM 0 H5' DG A 14 -11.401 -1.021 3.035 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.683 -0.958 2.696 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.872 -2.107 5.243 1.00 0.00 H new ATOM 0 H3' DG A 14 -11.013 0.610 4.804 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.607 0.780 4.166 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.645 1.315 5.835 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.098 -0.911 6.680 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.749 -0.428 7.091 1.00 0.00 H new ATOM 0 H1 DG A 14 -4.169 -0.598 0.858 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.618 -0.383 0.392 1.00 0.00 H new ATOM 0 H22 DG A 14 -6.015 -0.361 -0.350 1.00 0.00 H new ATOM 455 P DG A 15 -11.127 1.213 7.503 1.00 0.00 P ATOM 456 OP1 DG A 15 -11.759 0.760 8.759 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.851 2.116 6.585 1.00 0.00 O ATOM 458 O5' DG A 15 -9.723 1.912 7.885 1.00 0.00 O ATOM 459 C5' DG A 15 -8.871 1.367 8.878 1.00 0.00 C ATOM 460 C4' DG A 15 -7.558 2.156 9.007 1.00 0.00 C ATOM 461 O4' DG A 15 -6.748 1.928 7.862 1.00 0.00 O ATOM 462 C3' DG A 15 -7.763 3.678 9.131 1.00 0.00 C ATOM 463 O3' DG A 15 -6.833 4.255 10.036 1.00 0.00 O ATOM 464 C2' DG A 15 -7.423 4.184 7.740 1.00 0.00 C ATOM 465 C1' DG A 15 -6.318 3.188 7.381 1.00 0.00 C ATOM 466 N9 DG A 15 -5.940 3.102 5.965 1.00 0.00 N ATOM 467 C8 DG A 15 -6.721 3.290 4.863 1.00 0.00 C ATOM 468 N7 DG A 15 -6.108 3.127 3.727 1.00 0.00 N ATOM 469 C5 DG A 15 -4.795 2.858 4.115 1.00 0.00 C ATOM 470 C6 DG A 15 -3.622 2.658 3.326 1.00 0.00 C ATOM 471 O6 DG A 15 -3.531 2.660 2.105 1.00 0.00 O ATOM 472 N1 DG A 15 -2.479 2.474 4.079 1.00 0.00 N ATOM 473 C2 DG A 15 -2.449 2.524 5.443 1.00 0.00 C ATOM 474 N2 DG A 15 -1.277 2.425 6.032 1.00 0.00 N ATOM 475 N3 DG A 15 -3.524 2.711 6.213 1.00 0.00 N ATOM 476 C4 DG A 15 -4.673 2.868 5.486 1.00 0.00 C ATOM 0 H5' DG A 15 -8.647 0.329 8.634 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.388 1.364 9.838 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.086 1.800 9.923 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.764 3.924 9.486 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.271 4.136 7.056 1.00 0.00 H new ATOM 0 H2'' DG A 15 -7.074 5.217 7.742 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.987 5.221 10.092 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.399 3.544 7.847 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.766 3.554 4.928 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.605 2.290 3.587 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.213 2.458 7.049 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.432 2.315 5.471 1.00 0.00 H new TER 489 DG A 15