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 Single : A 1 DG O5' : rot 27:sc= 0.979 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0029) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) 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 12 DT C7 :methyl -30:sc= 0 (180deg=-0.00151) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.27 (180deg=-2.47!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.221 -8.814 4.055 1.00 0.00 O ATOM 2 C5' DG A 1 0.833 -9.743 5.073 1.00 0.00 C ATOM 3 C4' DG A 1 -0.582 -9.487 5.535 1.00 0.00 C ATOM 4 O4' DG A 1 -0.658 -8.141 6.067 1.00 0.00 O ATOM 5 C3' DG A 1 -1.645 -9.575 4.437 1.00 0.00 C ATOM 6 O3' DG A 1 -2.826 -10.212 4.935 1.00 0.00 O ATOM 7 C2' DG A 1 -1.927 -8.125 4.088 1.00 0.00 C ATOM 8 C1' DG A 1 -1.651 -7.393 5.389 1.00 0.00 C ATOM 9 N9 DG A 1 -1.147 -6.034 5.214 1.00 0.00 N ATOM 10 C8 DG A 1 -1.379 -4.949 6.023 1.00 0.00 C ATOM 11 N7 DG A 1 -0.802 -3.857 5.599 1.00 0.00 N ATOM 12 C5 DG A 1 -0.148 -4.246 4.437 1.00 0.00 C ATOM 13 C6 DG A 1 0.649 -3.497 3.529 1.00 0.00 C ATOM 14 O6 DG A 1 0.928 -2.292 3.546 1.00 0.00 O ATOM 15 N1 DG A 1 1.133 -4.291 2.504 1.00 0.00 N ATOM 16 C2 DG A 1 0.859 -5.624 2.338 1.00 0.00 C ATOM 17 N2 DG A 1 1.369 -6.199 1.249 1.00 0.00 N ATOM 18 N3 DG A 1 0.121 -6.335 3.170 1.00 0.00 N ATOM 19 C4 DG A 1 -0.346 -5.588 4.191 1.00 0.00 C ATOM 0 H5' DG A 1 1.515 -9.664 5.920 1.00 0.00 H new ATOM 0 H5'' DG A 1 0.915 -10.761 4.691 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.793 -10.268 6.265 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.319 -10.160 3.577 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.282 -7.772 3.283 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.956 -7.984 3.757 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.707 -7.985 4.155 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.593 -7.306 5.931 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.979 -4.994 6.920 1.00 0.00 H new ATOM 0 H1 DG A 1 1.743 -3.849 1.816 1.00 0.00 H new ATOM 0 H21 DG A 1 1.201 -7.189 1.069 1.00 0.00 H new ATOM 0 H22 DG A 1 1.927 -5.649 0.596 1.00 0.00 H new ATOM 32 P DG A 2 -4.045 -10.531 3.934 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.777 -11.710 4.460 1.00 0.00 O ATOM 34 OP2 DG A 2 -3.508 -10.559 2.549 1.00 0.00 O ATOM 35 O5' DG A 2 -4.992 -9.256 4.065 1.00 0.00 O ATOM 36 C5' DG A 2 -5.410 -8.778 5.344 1.00 0.00 C ATOM 37 C4' DG A 2 -6.200 -7.500 5.189 1.00 0.00 C ATOM 38 O4' DG A 2 -5.285 -6.433 4.844 1.00 0.00 O ATOM 39 C3' DG A 2 -7.264 -7.534 4.084 1.00 0.00 C ATOM 40 O3' DG A 2 -8.558 -7.239 4.625 1.00 0.00 O ATOM 41 C2' DG A 2 -6.839 -6.443 3.112 1.00 0.00 C ATOM 42 C1' DG A 2 -5.921 -5.567 3.933 1.00 0.00 C ATOM 43 N9 DG A 2 -4.894 -4.886 3.152 1.00 0.00 N ATOM 44 C8 DG A 2 -4.116 -5.431 2.162 1.00 0.00 C ATOM 45 N7 DG A 2 -3.302 -4.571 1.615 1.00 0.00 N ATOM 46 C5 DG A 2 -3.557 -3.384 2.288 1.00 0.00 C ATOM 47 C6 DG A 2 -2.985 -2.098 2.127 1.00 0.00 C ATOM 48 O6 DG A 2 -2.108 -1.739 1.332 1.00 0.00 O ATOM 49 N1 DG A 2 -3.536 -1.179 3.013 1.00 0.00 N ATOM 50 C2 DG A 2 -4.503 -1.465 3.945 1.00 0.00 C ATOM 51 N2 DG A 2 -4.899 -0.452 4.720 1.00 0.00 N ATOM 52 N3 DG A 2 -5.045 -2.660 4.105 1.00 0.00 N ATOM 53 C4 DG A 2 -4.530 -3.565 3.247 1.00 0.00 C ATOM 0 H5' DG A 2 -4.540 -8.602 5.977 1.00 0.00 H new ATOM 0 H5'' DG A 2 -6.019 -9.533 5.841 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.713 -7.354 6.140 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.336 -8.512 3.609 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.326 -6.858 2.244 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.697 -5.884 2.738 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.514 -4.780 4.400 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.172 -6.468 1.865 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.196 -0.219 2.967 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.615 -0.603 5.431 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.486 0.473 4.601 1.00 0.00 H new ATOM 65 P DT A 3 -9.687 -8.386 4.673 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.613 -8.036 5.780 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.023 -9.716 4.668 1.00 0.00 O ATOM 68 O5' DT A 3 -10.481 -8.217 3.300 1.00 0.00 O ATOM 69 C5' DT A 3 -9.820 -7.766 2.116 1.00 0.00 C ATOM 70 C4' DT A 3 -10.827 -7.245 1.116 1.00 0.00 C ATOM 71 O4' DT A 3 -11.971 -6.713 1.828 1.00 0.00 O ATOM 72 C3' DT A 3 -10.324 -6.099 0.240 1.00 0.00 C ATOM 73 O3' DT A 3 -10.961 -6.132 -1.044 1.00 0.00 O ATOM 74 C2' DT A 3 -10.744 -4.868 1.021 1.00 0.00 C ATOM 75 C1' DT A 3 -12.065 -5.309 1.630 1.00 0.00 C ATOM 76 N1 DT A 3 -12.382 -4.690 2.931 1.00 0.00 N ATOM 77 C2 DT A 3 -13.628 -4.130 3.092 1.00 0.00 C ATOM 78 O2 DT A 3 -14.473 -4.121 2.212 1.00 0.00 O ATOM 79 N3 DT A 3 -13.854 -3.578 4.324 1.00 0.00 N ATOM 80 C4 DT A 3 -12.979 -3.528 5.387 1.00 0.00 C ATOM 81 O4 DT A 3 -13.327 -2.999 6.439 1.00 0.00 O ATOM 82 C5 DT A 3 -11.685 -4.130 5.152 1.00 0.00 C ATOM 83 C7 DT A 3 -10.662 -4.096 6.243 1.00 0.00 C ATOM 84 C6 DT A 3 -11.450 -4.679 3.951 1.00 0.00 C ATOM 0 H5' DT A 3 -9.251 -8.585 1.676 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.107 -6.981 2.367 1.00 0.00 H new ATOM 0 H4' DT A 3 -11.054 -8.098 0.476 1.00 0.00 H new ATOM 0 H3' DT A 3 -9.253 -6.138 0.044 1.00 0.00 H new ATOM 0 H2' DT A 3 -10.013 -4.601 1.784 1.00 0.00 H new ATOM 0 H2'' DT A 3 -10.864 -3.998 0.376 1.00 0.00 H new ATOM 0 H1' DT A 3 -12.858 -5.003 0.947 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.771 -3.157 4.471 1.00 0.00 H new ATOM 0 H71 DT A 3 -10.810 -3.205 6.853 1.00 0.00 H new ATOM 0 H72 DT A 3 -10.765 -4.984 6.866 1.00 0.00 H new ATOM 0 H73 DT A 3 -9.664 -4.074 5.805 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.487 -5.134 3.773 1.00 0.00 H new ATOM 97 P DT A 4 -10.450 -5.154 -2.217 1.00 0.00 P ATOM 98 OP1 DT A 4 -10.979 -3.797 -1.926 1.00 0.00 O ATOM 99 OP2 DT A 4 -10.761 -5.797 -3.520 1.00 0.00 O ATOM 100 O5' DT A 4 -8.866 -5.116 -2.036 1.00 0.00 O ATOM 101 C5' DT A 4 -8.017 -5.999 -2.774 1.00 0.00 C ATOM 102 C4' DT A 4 -7.652 -5.388 -4.109 1.00 0.00 C ATOM 103 O4' DT A 4 -8.016 -3.981 -4.119 1.00 0.00 O ATOM 104 C3' DT A 4 -6.158 -5.437 -4.445 1.00 0.00 C ATOM 105 O3' DT A 4 -5.966 -5.743 -5.831 1.00 0.00 O ATOM 106 C2' DT A 4 -5.676 -4.029 -4.144 1.00 0.00 C ATOM 107 C1' DT A 4 -6.894 -3.195 -4.489 1.00 0.00 C ATOM 108 N1 DT A 4 -6.976 -1.902 -3.777 1.00 0.00 N ATOM 109 C2 DT A 4 -6.901 -0.755 -4.534 1.00 0.00 C ATOM 110 O2 DT A 4 -6.796 -0.766 -5.749 1.00 0.00 O ATOM 111 N3 DT A 4 -6.955 0.409 -3.817 1.00 0.00 N ATOM 112 C4 DT A 4 -7.070 0.542 -2.451 1.00 0.00 C ATOM 113 O4 DT A 4 -7.085 1.661 -1.947 1.00 0.00 O ATOM 114 C5 DT A 4 -7.149 -0.700 -1.714 1.00 0.00 C ATOM 115 C7 DT A 4 -7.197 -0.652 -0.218 1.00 0.00 C ATOM 116 C6 DT A 4 -7.110 -1.850 -2.403 1.00 0.00 C ATOM 0 H5' DT A 4 -8.521 -6.953 -2.929 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.112 -6.206 -2.202 1.00 0.00 H new ATOM 0 H4' DT A 4 -8.193 -5.984 -4.844 1.00 0.00 H new ATOM 0 H3' DT A 4 -5.622 -6.201 -3.882 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.385 -3.912 -3.100 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.811 -3.756 -4.749 1.00 0.00 H new ATOM 0 H1' DT A 4 -6.847 -2.944 -5.549 1.00 0.00 H new ATOM 0 H3 DT A 4 -6.904 1.275 -4.354 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.761 -1.506 0.156 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.183 -0.685 0.180 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.682 0.271 0.101 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.187 -2.779 -1.858 1.00 0.00 H new ATOM 129 P DG A 5 -4.887 -6.856 -6.263 1.00 0.00 P ATOM 130 OP1 DG A 5 -5.051 -7.082 -7.722 1.00 0.00 O ATOM 131 OP2 DG A 5 -5.005 -8.003 -5.326 1.00 0.00 O ATOM 132 O5' DG A 5 -3.479 -6.144 -6.031 1.00 0.00 O ATOM 133 C5' DG A 5 -2.488 -6.716 -5.172 1.00 0.00 C ATOM 134 C4' DG A 5 -1.172 -6.843 -5.904 1.00 0.00 C ATOM 135 O4' DG A 5 -0.563 -5.535 -6.012 1.00 0.00 O ATOM 136 C3' DG A 5 -0.129 -7.716 -5.211 1.00 0.00 C ATOM 137 O3' DG A 5 0.756 -8.299 -6.173 1.00 0.00 O ATOM 138 C2' DG A 5 0.612 -6.725 -4.334 1.00 0.00 C ATOM 139 C1' DG A 5 0.571 -5.445 -5.157 1.00 0.00 C ATOM 140 N9 DG A 5 0.431 -4.231 -4.361 1.00 0.00 N ATOM 141 C8 DG A 5 0.893 -2.977 -4.669 1.00 0.00 C ATOM 142 N7 DG A 5 0.600 -2.084 -3.765 1.00 0.00 N ATOM 143 C5 DG A 5 -0.097 -2.794 -2.797 1.00 0.00 C ATOM 144 C6 DG A 5 -0.675 -2.361 -1.577 1.00 0.00 C ATOM 145 O6 DG A 5 -0.679 -1.223 -1.088 1.00 0.00 O ATOM 146 N1 DG A 5 -1.294 -3.412 -0.905 1.00 0.00 N ATOM 147 C2 DG A 5 -1.330 -4.715 -1.340 1.00 0.00 C ATOM 148 N2 DG A 5 -1.937 -5.598 -0.539 1.00 0.00 N ATOM 149 N3 DG A 5 -0.801 -5.128 -2.475 1.00 0.00 N ATOM 150 C4 DG A 5 -0.205 -4.122 -3.149 1.00 0.00 C ATOM 0 H5' DG A 5 -2.817 -7.697 -4.828 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.361 -6.093 -4.286 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.430 -7.303 -6.858 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.560 -8.548 -4.654 1.00 0.00 H new ATOM 0 H2' DG A 5 0.126 -6.599 -3.367 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.635 -7.046 -4.137 1.00 0.00 H new ATOM 0 H1' DG A 5 1.519 -5.367 -5.689 1.00 0.00 H new ATOM 0 H8 DG A 5 1.444 -2.752 -5.570 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.757 -3.198 -0.021 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.993 -6.579 -0.812 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.343 -5.290 0.344 1.00 0.00 H new ATOM 162 P DG A 6 2.035 -9.136 -5.674 1.00 0.00 P ATOM 163 OP1 DG A 6 2.398 -10.075 -6.765 1.00 0.00 O ATOM 164 OP2 DG A 6 1.751 -9.665 -4.315 1.00 0.00 O ATOM 165 O5' DG A 6 3.192 -8.045 -5.557 1.00 0.00 O ATOM 166 C5' DG A 6 4.561 -8.441 -5.456 1.00 0.00 C ATOM 167 C4' DG A 6 5.439 -7.250 -5.144 1.00 0.00 C ATOM 168 O4' DG A 6 4.654 -6.231 -4.465 1.00 0.00 O ATOM 169 C3' DG A 6 6.609 -7.581 -4.206 1.00 0.00 C ATOM 170 O3' DG A 6 7.885 -7.050 -4.641 1.00 0.00 O ATOM 171 C2' DG A 6 6.202 -6.942 -2.888 1.00 0.00 C ATOM 172 C1' DG A 6 5.393 -5.756 -3.358 1.00 0.00 C ATOM 173 N9 DG A 6 4.467 -5.222 -2.362 1.00 0.00 N ATOM 174 C8 DG A 6 3.561 -5.922 -1.605 1.00 0.00 C ATOM 175 N7 DG A 6 2.934 -5.179 -0.733 1.00 0.00 N ATOM 176 C5 DG A 6 3.441 -3.903 -0.943 1.00 0.00 C ATOM 177 C6 DG A 6 3.147 -2.669 -0.293 1.00 0.00 C ATOM 178 O6 DG A 6 2.333 -2.438 0.617 1.00 0.00 O ATOM 179 N1 DG A 6 3.901 -1.629 -0.815 1.00 0.00 N ATOM 180 C2 DG A 6 4.783 -1.738 -1.857 1.00 0.00 C ATOM 181 N2 DG A 6 5.356 -0.602 -2.257 1.00 0.00 N ATOM 182 N3 DG A 6 5.072 -2.873 -2.468 1.00 0.00 N ATOM 183 C4 DG A 6 4.372 -3.909 -1.961 1.00 0.00 C ATOM 0 H5' DG A 6 4.882 -8.901 -6.391 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.670 -9.194 -4.676 1.00 0.00 H new ATOM 0 H4' DG A 6 5.834 -6.917 -6.104 1.00 0.00 H new ATOM 0 H3' DG A 6 6.769 -8.658 -4.159 1.00 0.00 H new ATOM 0 H2' DG A 6 5.613 -7.619 -2.269 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.066 -6.639 -2.296 1.00 0.00 H new ATOM 0 H1' DG A 6 6.070 -4.933 -3.586 1.00 0.00 H new ATOM 0 H8 DG A 6 3.384 -6.981 -1.719 1.00 0.00 H new ATOM 0 H1 DG A 6 3.790 -0.709 -0.389 1.00 0.00 H new ATOM 0 H21 DG A 6 6.023 -0.611 -3.028 1.00 0.00 H new ATOM 0 H22 DG A 6 5.127 0.276 -1.791 1.00 0.00 H new ATOM 195 P DT A 7 7.977 -5.827 -5.694 1.00 0.00 P ATOM 196 OP1 DT A 7 6.744 -5.003 -5.676 1.00 0.00 O ATOM 197 OP2 DT A 7 8.445 -6.410 -6.977 1.00 0.00 O ATOM 198 O5' DT A 7 9.164 -4.932 -5.113 1.00 0.00 O ATOM 199 C5' DT A 7 9.797 -3.919 -5.905 1.00 0.00 C ATOM 200 C4' DT A 7 9.612 -2.563 -5.261 1.00 0.00 C ATOM 201 O4' DT A 7 9.738 -1.536 -6.268 1.00 0.00 O ATOM 202 C3' DT A 7 8.251 -2.331 -4.596 1.00 0.00 C ATOM 203 O3' DT A 7 8.382 -2.379 -3.157 1.00 0.00 O ATOM 204 C2' DT A 7 7.782 -0.978 -5.125 1.00 0.00 C ATOM 205 C1' DT A 7 9.005 -0.413 -5.840 1.00 0.00 C ATOM 206 N1 DT A 7 8.747 0.438 -7.025 1.00 0.00 N ATOM 207 C2 DT A 7 9.694 1.396 -7.312 1.00 0.00 C ATOM 208 O2 DT A 7 10.694 1.566 -6.636 1.00 0.00 O ATOM 209 N3 DT A 7 9.431 2.150 -8.422 1.00 0.00 N ATOM 210 C4 DT A 7 8.342 2.049 -9.259 1.00 0.00 C ATOM 211 O4 DT A 7 8.239 2.807 -10.219 1.00 0.00 O ATOM 212 C5 DT A 7 7.384 1.027 -8.906 1.00 0.00 C ATOM 213 C7 DT A 7 6.211 0.800 -9.807 1.00 0.00 C ATOM 214 C6 DT A 7 7.620 0.284 -7.813 1.00 0.00 C ATOM 0 H5' DT A 7 9.373 -3.914 -6.909 1.00 0.00 H new ATOM 0 H5'' DT A 7 10.860 -4.139 -6.009 1.00 0.00 H new ATOM 0 H4' DT A 7 10.376 -2.525 -4.485 1.00 0.00 H new ATOM 0 H3' DT A 7 7.515 -3.100 -4.831 1.00 0.00 H new ATOM 0 H2' DT A 7 6.938 -1.087 -5.806 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.456 -0.325 -4.315 1.00 0.00 H new ATOM 0 H1' DT A 7 9.511 0.246 -5.135 1.00 0.00 H new ATOM 0 H3 DT A 7 10.118 2.867 -8.656 1.00 0.00 H new ATOM 0 H71 DT A 7 5.906 -0.245 -9.751 1.00 0.00 H new ATOM 0 H72 DT A 7 5.383 1.437 -9.494 1.00 0.00 H new ATOM 0 H73 DT A 7 6.488 1.042 -10.833 1.00 0.00 H new ATOM 0 H6 DT A 7 6.897 -0.469 -7.536 1.00 0.00 H new ATOM 227 P DG A 8 8.915 -1.104 -2.319 1.00 0.00 P ATOM 228 OP1 DG A 8 9.260 0.037 -3.197 1.00 0.00 O ATOM 229 OP2 DG A 8 9.940 -1.634 -1.385 1.00 0.00 O ATOM 230 O5' DG A 8 7.646 -0.679 -1.455 1.00 0.00 O ATOM 231 C5' DG A 8 7.741 0.305 -0.425 1.00 0.00 C ATOM 232 C4' DG A 8 7.668 -0.355 0.932 1.00 0.00 C ATOM 233 O4' DG A 8 6.693 -1.427 0.883 1.00 0.00 O ATOM 234 C3' DG A 8 8.983 -0.994 1.392 1.00 0.00 C ATOM 235 O3' DG A 8 9.293 -0.606 2.733 1.00 0.00 O ATOM 236 C2' DG A 8 8.716 -2.485 1.326 1.00 0.00 C ATOM 237 C1' DG A 8 7.220 -2.531 1.584 1.00 0.00 C ATOM 238 N9 DG A 8 6.601 -3.746 1.074 1.00 0.00 N ATOM 239 C8 DG A 8 6.778 -4.284 -0.173 1.00 0.00 C ATOM 240 N7 DG A 8 6.141 -5.411 -0.341 1.00 0.00 N ATOM 241 C5 DG A 8 5.490 -5.619 0.869 1.00 0.00 C ATOM 242 C6 DG A 8 4.640 -6.675 1.289 1.00 0.00 C ATOM 243 O6 DG A 8 4.282 -7.675 0.657 1.00 0.00 O ATOM 244 N1 DG A 8 4.195 -6.487 2.593 1.00 0.00 N ATOM 245 C2 DG A 8 4.526 -5.423 3.392 1.00 0.00 C ATOM 246 N2 DG A 8 3.997 -5.423 4.621 1.00 0.00 N ATOM 247 N3 DG A 8 5.316 -4.432 3.016 1.00 0.00 N ATOM 248 C4 DG A 8 5.759 -4.594 1.750 1.00 0.00 C ATOM 0 H5' DG A 8 6.934 1.031 -0.529 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.678 0.854 -0.521 1.00 0.00 H new ATOM 0 H4' DG A 8 7.409 0.441 1.631 1.00 0.00 H new ATOM 0 H3' DG A 8 9.829 -0.688 0.777 1.00 0.00 H new ATOM 0 H2' DG A 8 8.979 -2.907 0.356 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.280 -3.037 2.078 1.00 0.00 H new ATOM 0 H1' DG A 8 7.024 -2.509 2.656 1.00 0.00 H new ATOM 0 H8 DG A 8 7.383 -3.823 -0.939 1.00 0.00 H new ATOM 0 H1 DG A 8 3.575 -7.195 2.985 1.00 0.00 H new ATOM 0 H21 DG A 8 4.204 -4.660 5.265 1.00 0.00 H new ATOM 0 H22 DG A 8 3.387 -6.186 4.914 1.00 0.00 H new ATOM 260 P DT A 9 9.753 0.902 3.038 1.00 0.00 P ATOM 261 OP1 DT A 9 10.430 1.421 1.822 1.00 0.00 O ATOM 262 OP2 DT A 9 10.471 0.911 4.337 1.00 0.00 O ATOM 263 O5' DT A 9 8.380 1.688 3.220 1.00 0.00 O ATOM 264 C5' DT A 9 8.297 3.084 2.948 1.00 0.00 C ATOM 265 C4' DT A 9 7.610 3.803 4.084 1.00 0.00 C ATOM 266 O4' DT A 9 6.462 3.054 4.537 1.00 0.00 O ATOM 267 C3' DT A 9 8.461 4.046 5.338 1.00 0.00 C ATOM 268 O3' DT A 9 8.771 5.450 5.513 1.00 0.00 O ATOM 269 C2' DT A 9 7.594 3.536 6.487 1.00 0.00 C ATOM 270 C1' DT A 9 6.223 3.472 5.857 1.00 0.00 C ATOM 271 N1 DT A 9 5.231 2.555 6.458 1.00 0.00 N ATOM 272 C2 DT A 9 4.077 3.148 6.916 1.00 0.00 C ATOM 273 O2 DT A 9 3.900 4.355 6.903 1.00 0.00 O ATOM 274 N3 DT A 9 3.137 2.283 7.393 1.00 0.00 N ATOM 275 C4 DT A 9 3.217 0.914 7.446 1.00 0.00 C ATOM 276 O4 DT A 9 2.274 0.267 7.892 1.00 0.00 O ATOM 277 C5 DT A 9 4.453 0.343 6.958 1.00 0.00 C ATOM 278 C7 DT A 9 4.492 -1.135 6.720 1.00 0.00 C ATOM 279 C6 DT A 9 5.418 1.184 6.531 1.00 0.00 C ATOM 0 H5' DT A 9 7.748 3.248 2.021 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.297 3.493 2.803 1.00 0.00 H new ATOM 0 H4' DT A 9 7.362 4.770 3.647 1.00 0.00 H new ATOM 0 H3' DT A 9 9.425 3.540 5.278 1.00 0.00 H new ATOM 0 H2' DT A 9 7.924 2.560 6.842 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.616 4.211 7.343 1.00 0.00 H new ATOM 0 H1' DT A 9 5.767 4.453 5.987 1.00 0.00 H new ATOM 0 H3 DT A 9 2.278 2.700 7.751 1.00 0.00 H new ATOM 0 H71 DT A 9 5.192 -1.355 5.914 1.00 0.00 H new ATOM 0 H72 DT A 9 4.815 -1.642 7.629 1.00 0.00 H new ATOM 0 H73 DT A 9 3.498 -1.485 6.443 1.00 0.00 H new ATOM 0 H6 DT A 9 6.372 0.773 6.235 1.00 0.00 H new ATOM 292 P DG A 10 7.817 6.600 4.885 1.00 0.00 P ATOM 293 OP1 DG A 10 8.488 7.898 5.156 1.00 0.00 O ATOM 294 OP2 DG A 10 6.424 6.389 5.352 1.00 0.00 O ATOM 295 O5' DG A 10 7.867 6.355 3.307 1.00 0.00 O ATOM 296 C5' DG A 10 6.672 6.355 2.505 1.00 0.00 C ATOM 297 C4' DG A 10 6.991 6.759 1.086 1.00 0.00 C ATOM 298 O4' DG A 10 7.074 5.558 0.288 1.00 0.00 O ATOM 299 C3' DG A 10 5.921 7.620 0.419 1.00 0.00 C ATOM 300 O3' DG A 10 6.499 8.498 -0.568 1.00 0.00 O ATOM 301 C2' DG A 10 4.991 6.585 -0.190 1.00 0.00 C ATOM 302 C1' DG A 10 5.933 5.442 -0.548 1.00 0.00 C ATOM 303 N9 DG A 10 5.385 4.104 -0.362 1.00 0.00 N ATOM 304 C8 DG A 10 5.659 3.015 -1.142 1.00 0.00 C ATOM 305 N7 DG A 10 5.025 1.937 -0.771 1.00 0.00 N ATOM 306 C5 DG A 10 4.290 2.340 0.334 1.00 0.00 C ATOM 307 C6 DG A 10 3.409 1.610 1.167 1.00 0.00 C ATOM 308 O6 DG A 10 3.068 0.426 1.094 1.00 0.00 O ATOM 309 N1 DG A 10 2.896 2.398 2.178 1.00 0.00 N ATOM 310 C2 DG A 10 3.172 3.728 2.367 1.00 0.00 C ATOM 311 N2 DG A 10 2.572 4.316 3.410 1.00 0.00 N ATOM 312 N3 DG A 10 3.980 4.430 1.593 1.00 0.00 N ATOM 313 C4 DG A 10 4.505 3.677 0.604 1.00 0.00 C ATOM 0 H5' DG A 10 5.941 7.043 2.930 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.220 5.363 2.515 1.00 0.00 H new ATOM 0 H4' DG A 10 7.914 7.337 1.139 1.00 0.00 H new ATOM 0 H3' DG A 10 5.404 8.292 1.104 1.00 0.00 H new ATOM 0 H2' DG A 10 4.223 6.268 0.516 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.476 6.973 -1.069 1.00 0.00 H new ATOM 0 H1' DG A 10 6.146 5.538 -1.613 1.00 0.00 H new ATOM 0 H8 DG A 10 6.335 3.044 -1.984 1.00 0.00 H new ATOM 0 H1 DG A 10 2.259 1.954 2.839 1.00 0.00 H new ATOM 0 H21 DG A 10 2.737 5.304 3.603 1.00 0.00 H new ATOM 0 H22 DG A 10 1.950 3.776 4.011 1.00 0.00 H new ATOM 325 P DG A 11 7.226 7.900 -1.879 1.00 0.00 P ATOM 326 OP1 DG A 11 8.211 6.876 -1.454 1.00 0.00 O ATOM 327 OP2 DG A 11 7.685 9.057 -2.686 1.00 0.00 O ATOM 328 O5' DG A 11 6.054 7.182 -2.688 1.00 0.00 O ATOM 329 C5' DG A 11 5.005 7.943 -3.293 1.00 0.00 C ATOM 330 C4' DG A 11 4.232 7.089 -4.271 1.00 0.00 C ATOM 331 O4' DG A 11 3.723 5.918 -3.584 1.00 0.00 O ATOM 332 C3' DG A 11 3.014 7.785 -4.892 1.00 0.00 C ATOM 333 O3' DG A 11 3.044 7.675 -6.319 1.00 0.00 O ATOM 334 C2' DG A 11 1.822 7.028 -4.329 1.00 0.00 C ATOM 335 C1' DG A 11 2.400 5.671 -4.011 1.00 0.00 C ATOM 336 N9 DG A 11 1.704 4.954 -2.945 1.00 0.00 N ATOM 337 C8 DG A 11 1.206 5.491 -1.785 1.00 0.00 C ATOM 338 N7 DG A 11 0.622 4.613 -1.016 1.00 0.00 N ATOM 339 C5 DG A 11 0.753 3.415 -1.706 1.00 0.00 C ATOM 340 C6 DG A 11 0.323 2.102 -1.365 1.00 0.00 C ATOM 341 O6 DG A 11 -0.257 1.718 -0.340 1.00 0.00 O ATOM 342 N1 DG A 11 0.639 1.187 -2.361 1.00 0.00 N ATOM 343 C2 DG A 11 1.308 1.487 -3.524 1.00 0.00 C ATOM 344 N2 DG A 11 1.533 0.468 -4.358 1.00 0.00 N ATOM 345 N3 DG A 11 1.727 2.698 -3.847 1.00 0.00 N ATOM 346 C4 DG A 11 1.414 3.609 -2.902 1.00 0.00 C ATOM 0 H5' DG A 11 5.424 8.808 -3.808 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.334 8.325 -2.524 1.00 0.00 H new ATOM 0 H4' DG A 11 4.937 6.854 -5.068 1.00 0.00 H new ATOM 0 H3' DG A 11 2.982 8.850 -4.662 1.00 0.00 H new ATOM 0 H2' DG A 11 1.419 7.513 -3.440 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.009 6.961 -5.052 1.00 0.00 H new ATOM 0 H1' DG A 11 2.316 5.041 -4.897 1.00 0.00 H new ATOM 0 H8 DG A 11 1.289 6.538 -1.533 1.00 0.00 H new ATOM 0 H1 DG A 11 0.353 0.218 -2.219 1.00 0.00 H new ATOM 0 H21 DG A 11 2.025 0.628 -5.237 1.00 0.00 H new ATOM 0 H22 DG A 11 1.213 -0.470 -4.116 1.00 0.00 H new ATOM 358 P DT A 12 2.089 8.612 -7.213 1.00 0.00 P ATOM 359 OP1 DT A 12 0.965 7.783 -7.721 1.00 0.00 O ATOM 360 OP2 DT A 12 2.957 9.339 -8.174 1.00 0.00 O ATOM 361 O5' DT A 12 1.500 9.674 -6.179 1.00 0.00 O ATOM 362 C5' DT A 12 0.332 10.437 -6.489 1.00 0.00 C ATOM 363 C4' DT A 12 -0.583 10.505 -5.288 1.00 0.00 C ATOM 364 O4' DT A 12 -1.951 10.358 -5.736 1.00 0.00 O ATOM 365 C3' DT A 12 -0.367 9.410 -4.247 1.00 0.00 C ATOM 366 O3' DT A 12 -0.641 9.904 -2.933 1.00 0.00 O ATOM 367 C2' DT A 12 -1.375 8.345 -4.639 1.00 0.00 C ATOM 368 C1' DT A 12 -2.515 9.151 -5.242 1.00 0.00 C ATOM 369 N1 DT A 12 -3.211 8.493 -6.364 1.00 0.00 N ATOM 370 C2 DT A 12 -4.565 8.704 -6.498 1.00 0.00 C ATOM 371 O2 DT A 12 -5.213 9.387 -5.723 1.00 0.00 O ATOM 372 N3 DT A 12 -5.136 8.084 -7.576 1.00 0.00 N ATOM 373 C4 DT A 12 -4.507 7.291 -8.511 1.00 0.00 C ATOM 374 O4 DT A 12 -5.152 6.814 -9.440 1.00 0.00 O ATOM 375 C5 DT A 12 -3.088 7.102 -8.306 1.00 0.00 C ATOM 376 C7 DT A 12 -2.319 6.275 -9.288 1.00 0.00 C ATOM 377 C6 DT A 12 -2.513 7.699 -7.252 1.00 0.00 C ATOM 0 H5' DT A 12 -0.194 9.985 -7.330 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.617 11.444 -6.795 1.00 0.00 H new ATOM 0 H4' DT A 12 -0.363 11.464 -4.819 1.00 0.00 H new ATOM 0 H3' DT A 12 0.658 9.039 -4.225 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.957 7.640 -5.357 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.704 7.765 -3.777 1.00 0.00 H new ATOM 0 H1' DT A 12 -3.259 9.291 -4.457 1.00 0.00 H new ATOM 0 H3 DT A 12 -6.138 8.224 -7.701 1.00 0.00 H new ATOM 0 H71 DT A 12 -2.973 5.515 -9.715 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.939 6.915 -10.084 1.00 0.00 H new ATOM 0 H73 DT A 12 -1.483 5.792 -8.781 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.455 7.552 -7.090 1.00 0.00 H new ATOM 390 P DT A 13 -0.253 9.014 -1.653 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.098 9.483 -0.527 1.00 0.00 O ATOM 392 OP2 DT A 13 1.225 9.027 -1.517 1.00 0.00 O ATOM 393 O5' DT A 13 -0.705 7.541 -2.065 1.00 0.00 O ATOM 394 C5' DT A 13 -1.592 6.778 -1.246 1.00 0.00 C ATOM 395 C4' DT A 13 -2.984 6.787 -1.833 1.00 0.00 C ATOM 396 O4' DT A 13 -2.979 6.033 -3.067 1.00 0.00 O ATOM 397 C3' DT A 13 -4.059 6.145 -0.946 1.00 0.00 C ATOM 398 O3' DT A 13 -5.092 7.093 -0.653 1.00 0.00 O ATOM 399 C2' DT A 13 -4.620 5.007 -1.787 1.00 0.00 C ATOM 400 C1' DT A 13 -4.230 5.399 -3.197 1.00 0.00 C ATOM 401 N1 DT A 13 -4.082 4.274 -4.142 1.00 0.00 N ATOM 402 C2 DT A 13 -4.910 4.248 -5.241 1.00 0.00 C ATOM 403 O2 DT A 13 -5.742 5.110 -5.469 1.00 0.00 O ATOM 404 N3 DT A 13 -4.729 3.174 -6.069 1.00 0.00 N ATOM 405 C4 DT A 13 -3.826 2.145 -5.914 1.00 0.00 C ATOM 406 O4 DT A 13 -3.785 1.240 -6.740 1.00 0.00 O ATOM 407 C5 DT A 13 -2.985 2.234 -4.742 1.00 0.00 C ATOM 408 C7 DT A 13 -1.990 1.147 -4.482 1.00 0.00 C ATOM 409 C6 DT A 13 -3.147 3.283 -3.922 1.00 0.00 C ATOM 0 H5' DT A 13 -1.612 7.191 -0.237 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.231 5.753 -1.164 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.234 7.840 -1.959 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.658 5.802 0.008 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.192 4.046 -1.502 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.701 4.919 -1.677 1.00 0.00 H new ATOM 0 H1' DT A 13 -5.024 6.019 -3.613 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.329 3.130 -6.893 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.365 0.206 -4.886 1.00 0.00 H new ATOM 0 H72 DT A 13 -1.044 1.397 -4.963 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.835 1.045 -3.408 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.516 3.356 -3.048 1.00 0.00 H new ATOM 422 P DG A 14 -4.876 8.182 0.511 1.00 0.00 P ATOM 423 OP1 DG A 14 -6.142 8.948 0.631 1.00 0.00 O ATOM 424 OP2 DG A 14 -3.606 8.903 0.249 1.00 0.00 O ATOM 425 O5' DG A 14 -4.697 7.313 1.836 1.00 0.00 O ATOM 426 C5' DG A 14 -3.877 7.773 2.916 1.00 0.00 C ATOM 427 C4' DG A 14 -4.608 7.625 4.231 1.00 0.00 C ATOM 428 O4' DG A 14 -5.109 6.273 4.345 1.00 0.00 O ATOM 429 C3' DG A 14 -3.748 7.833 5.474 1.00 0.00 C ATOM 430 O3' DG A 14 -4.559 8.270 6.573 1.00 0.00 O ATOM 431 C2' DG A 14 -3.191 6.443 5.723 1.00 0.00 C ATOM 432 C1' DG A 14 -4.341 5.543 5.297 1.00 0.00 C ATOM 433 N9 DG A 14 -3.934 4.290 4.668 1.00 0.00 N ATOM 434 C8 DG A 14 -4.384 3.032 4.976 1.00 0.00 C ATOM 435 N7 DG A 14 -3.878 2.102 4.212 1.00 0.00 N ATOM 436 C5 DG A 14 -3.021 2.787 3.361 1.00 0.00 C ATOM 437 C6 DG A 14 -2.185 2.313 2.312 1.00 0.00 C ATOM 438 O6 DG A 14 -2.002 1.144 1.929 1.00 0.00 O ATOM 439 N1 DG A 14 -1.510 3.358 1.690 1.00 0.00 N ATOM 440 C2 DG A 14 -1.577 4.676 2.064 1.00 0.00 C ATOM 441 N2 DG A 14 -0.793 5.522 1.385 1.00 0.00 N ATOM 442 N3 DG A 14 -2.344 5.130 3.038 1.00 0.00 N ATOM 443 C4 DG A 14 -3.039 4.140 3.635 1.00 0.00 C ATOM 0 H5' DG A 14 -3.608 8.817 2.758 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.947 7.205 2.943 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.379 8.395 4.205 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.974 8.592 5.357 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.291 6.256 5.137 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.926 6.294 6.770 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.888 5.272 6.200 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.087 2.831 5.771 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.918 3.126 0.892 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.796 6.516 1.614 1.00 0.00 H new ATOM 0 H22 DG A 14 -0.192 5.173 0.638 1.00 0.00 H new ATOM 455 P DG A 15 -3.890 8.520 8.015 1.00 0.00 P ATOM 456 OP1 DG A 15 -4.916 9.117 8.906 1.00 0.00 O ATOM 457 OP2 DG A 15 -2.606 9.234 7.794 1.00 0.00 O ATOM 458 O5' DG A 15 -3.568 7.053 8.548 1.00 0.00 O ATOM 459 C5' DG A 15 -2.270 6.710 9.034 1.00 0.00 C ATOM 460 C4' DG A 15 -2.249 5.268 9.482 1.00 0.00 C ATOM 461 O4' DG A 15 -2.006 4.424 8.330 1.00 0.00 O ATOM 462 C3' DG A 15 -1.151 4.927 10.496 1.00 0.00 C ATOM 463 O3' DG A 15 -1.667 4.091 11.535 1.00 0.00 O ATOM 464 C2' DG A 15 -0.124 4.168 9.672 1.00 0.00 C ATOM 465 C1' DG A 15 -1.002 3.483 8.650 1.00 0.00 C ATOM 466 N9 DG A 15 -0.337 3.093 7.411 1.00 0.00 N ATOM 467 C8 DG A 15 0.364 3.892 6.541 1.00 0.00 C ATOM 468 N7 DG A 15 0.843 3.241 5.516 1.00 0.00 N ATOM 469 C5 DG A 15 0.429 1.931 5.722 1.00 0.00 C ATOM 470 C6 DG A 15 0.641 0.759 4.945 1.00 0.00 C ATOM 471 O6 DG A 15 1.255 0.636 3.873 1.00 0.00 O ATOM 472 N1 DG A 15 0.047 -0.353 5.531 1.00 0.00 N ATOM 473 C2 DG A 15 -0.664 -0.344 6.704 1.00 0.00 C ATOM 474 N2 DG A 15 -1.167 -1.515 7.106 1.00 0.00 N ATOM 475 N3 DG A 15 -0.870 0.734 7.433 1.00 0.00 N ATOM 476 C4 DG A 15 -0.299 1.827 6.888 1.00 0.00 C ATOM 0 H5' DG A 15 -2.000 7.361 9.865 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.527 6.867 8.252 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.215 5.102 9.960 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.740 5.810 10.985 1.00 0.00 H new ATOM 0 H2' DG A 15 0.602 4.835 9.207 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.438 3.454 10.274 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.952 3.882 12.172 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.359 2.550 9.087 1.00 0.00 H new ATOM 0 H8 DG A 15 0.505 4.952 6.690 1.00 0.00 H new ATOM 0 H1 DG A 15 0.148 -1.247 5.050 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.705 -1.569 7.971 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.013 -2.355 6.548 1.00 0.00 H new TER 489 DG A 15