USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00494) USER MOD Set 1.2: A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.144) USER MOD Single : A 1 DC O5' : rot 180:sc= -1.26 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc=-0.00413 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.116 -2.830 8.753 1.00 0.00 O ATOM 2 C5' DC A 1 11.286 -3.677 9.894 1.00 0.00 C ATOM 3 C4' DC A 1 9.953 -4.153 10.425 1.00 0.00 C ATOM 4 O4' DC A 1 9.189 -3.004 10.865 1.00 0.00 O ATOM 5 C3' DC A 1 9.071 -4.872 9.405 1.00 0.00 C ATOM 6 O3' DC A 1 8.281 -5.882 10.044 1.00 0.00 O ATOM 7 C2' DC A 1 8.186 -3.763 8.868 1.00 0.00 C ATOM 8 C1' DC A 1 8.026 -2.840 10.065 1.00 0.00 C ATOM 9 N1 DC A 1 7.912 -1.414 9.718 1.00 0.00 N ATOM 10 C2 DC A 1 6.728 -0.736 10.025 1.00 0.00 C ATOM 11 O2 DC A 1 5.808 -1.353 10.581 1.00 0.00 O ATOM 12 N3 DC A 1 6.616 0.573 9.707 1.00 0.00 N ATOM 13 C4 DC A 1 7.628 1.204 9.108 1.00 0.00 C ATOM 14 N4 DC A 1 7.473 2.495 8.814 1.00 0.00 N ATOM 15 C5 DC A 1 8.846 0.538 8.785 1.00 0.00 C ATOM 16 C6 DC A 1 8.943 -0.759 9.105 1.00 0.00 C ATOM 0 H5' DC A 1 11.820 -3.136 10.676 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.901 -4.536 9.624 1.00 0.00 H new ATOM 0 H4' DC A 1 10.200 -4.860 11.217 1.00 0.00 H new ATOM 0 H3' DC A 1 9.642 -5.380 8.628 1.00 0.00 H new ATOM 0 H2' DC A 1 8.648 -3.252 8.024 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.226 -4.145 8.522 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.993 -2.535 8.431 1.00 0.00 H new ATOM 0 H1' DC A 1 7.098 -3.110 10.570 1.00 0.00 H new ATOM 0 H41 DC A 1 8.226 3.008 8.356 1.00 0.00 H new ATOM 0 H42 DC A 1 6.601 2.970 9.047 1.00 0.00 H new ATOM 0 H5 DC A 1 9.659 1.059 8.301 1.00 0.00 H new ATOM 0 H6 DC A 1 9.851 -1.296 8.875 1.00 0.00 H new ATOM 29 P DA A 2 7.307 -6.813 9.164 1.00 0.00 P ATOM 30 OP1 DA A 2 7.007 -8.022 9.970 1.00 0.00 O ATOM 31 OP2 DA A 2 7.900 -6.964 7.810 1.00 0.00 O ATOM 32 O5' DA A 2 5.967 -5.958 9.030 1.00 0.00 O ATOM 33 C5' DA A 2 5.122 -5.738 10.162 1.00 0.00 C ATOM 34 C4' DA A 2 3.758 -5.260 9.718 1.00 0.00 C ATOM 35 O4' DA A 2 3.840 -3.847 9.416 1.00 0.00 O ATOM 36 C3' DA A 2 3.194 -5.941 8.464 1.00 0.00 C ATOM 37 O3' DA A 2 1.903 -6.496 8.779 1.00 0.00 O ATOM 38 C2' DA A 2 3.123 -4.826 7.431 1.00 0.00 C ATOM 39 C1' DA A 2 3.072 -3.569 8.265 1.00 0.00 C ATOM 40 N9 DA A 2 3.646 -2.395 7.613 1.00 0.00 N ATOM 41 C8 DA A 2 4.715 -2.376 6.759 1.00 0.00 C ATOM 42 N7 DA A 2 5.043 -1.176 6.349 1.00 0.00 N ATOM 43 C5 DA A 2 4.113 -0.350 6.964 1.00 0.00 C ATOM 44 C6 DA A 2 3.916 1.040 6.934 1.00 0.00 C ATOM 45 N6 DA A 2 4.687 1.883 6.245 1.00 0.00 N ATOM 46 N1 DA A 2 2.887 1.544 7.651 1.00 0.00 N ATOM 47 C2 DA A 2 2.119 0.698 8.352 1.00 0.00 C ATOM 48 N3 DA A 2 2.213 -0.623 8.469 1.00 0.00 N ATOM 49 C4 DA A 2 3.240 -1.090 7.741 1.00 0.00 C ATOM 0 H5' DA A 2 5.575 -5.000 10.824 1.00 0.00 H new ATOM 0 H5'' DA A 2 5.022 -6.660 10.734 1.00 0.00 H new ATOM 0 H4' DA A 2 3.091 -5.504 10.545 1.00 0.00 H new ATOM 0 H3' DA A 2 3.796 -6.769 8.090 1.00 0.00 H new ATOM 0 H2' DA A 2 3.991 -4.835 6.772 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.241 -4.922 6.798 1.00 0.00 H new ATOM 0 H1' DA A 2 2.028 -3.326 8.462 1.00 0.00 H new ATOM 0 H8 DA A 2 5.240 -3.268 6.451 1.00 0.00 H new ATOM 0 H61 DA A 2 4.492 2.884 6.264 1.00 0.00 H new ATOM 0 H62 DA A 2 5.472 1.527 5.700 1.00 0.00 H new ATOM 0 H2 DA A 2 1.308 1.155 8.900 1.00 0.00 H new ATOM 61 P DG A 3 0.766 -6.621 7.643 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.195 -7.649 8.119 1.00 0.00 O ATOM 63 OP2 DG A 3 1.407 -6.782 6.312 1.00 0.00 O ATOM 64 O5' DG A 3 0.027 -5.210 7.696 1.00 0.00 O ATOM 65 C5' DG A 3 -0.460 -4.684 8.935 1.00 0.00 C ATOM 66 C4' DG A 3 -1.625 -3.753 8.693 1.00 0.00 C ATOM 67 O4' DG A 3 -1.119 -2.462 8.272 1.00 0.00 O ATOM 68 C3' DG A 3 -2.603 -4.205 7.609 1.00 0.00 C ATOM 69 O3' DG A 3 -3.950 -3.920 8.002 1.00 0.00 O ATOM 70 C2' DG A 3 -2.203 -3.388 6.396 1.00 0.00 C ATOM 71 C1' DG A 3 -1.562 -2.140 6.964 1.00 0.00 C ATOM 72 N9 DG A 3 -0.406 -1.679 6.203 1.00 0.00 N ATOM 73 C8 DG A 3 0.598 -2.462 5.698 1.00 0.00 C ATOM 74 N7 DG A 3 1.529 -1.782 5.090 1.00 0.00 N ATOM 75 C5 DG A 3 1.101 -0.463 5.179 1.00 0.00 C ATOM 76 C6 DG A 3 1.694 0.729 4.693 1.00 0.00 C ATOM 77 O6 DG A 3 2.760 0.869 4.082 1.00 0.00 O ATOM 78 N1 DG A 3 0.916 1.843 4.988 1.00 0.00 N ATOM 79 C2 DG A 3 -0.276 1.815 5.667 1.00 0.00 C ATOM 80 N2 DG A 3 -0.884 2.995 5.836 1.00 0.00 N ATOM 81 N3 DG A 3 -0.834 0.712 6.138 1.00 0.00 N ATOM 82 C4 DG A 3 -0.098 -0.383 5.857 1.00 0.00 C ATOM 0 H5' DG A 3 0.339 -4.150 9.449 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.769 -5.501 9.587 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.166 -3.729 9.639 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.565 -5.278 7.418 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.507 -3.937 5.762 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.069 -3.143 5.781 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.302 -1.341 6.936 1.00 0.00 H new ATOM 0 H8 DG A 3 0.616 -3.538 5.794 1.00 0.00 H new ATOM 0 H1 DG A 3 1.258 2.752 4.675 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.774 3.044 6.332 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.458 3.846 5.468 1.00 0.00 H new ATOM 94 P DT A 4 -5.175 -4.568 7.185 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.223 -4.935 8.172 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.642 -5.604 6.263 1.00 0.00 O ATOM 97 O5' DT A 4 -5.721 -3.358 6.306 1.00 0.00 O ATOM 98 C5' DT A 4 -6.176 -2.155 6.924 1.00 0.00 C ATOM 99 C4' DT A 4 -5.927 -0.973 6.017 1.00 0.00 C ATOM 100 O4' DT A 4 -4.547 -1.006 5.579 1.00 0.00 O ATOM 101 C3' DT A 4 -6.786 -0.930 4.748 1.00 0.00 C ATOM 102 O3' DT A 4 -7.583 0.258 4.727 1.00 0.00 O ATOM 103 C2' DT A 4 -5.788 -0.920 3.600 1.00 0.00 C ATOM 104 C1' DT A 4 -4.465 -0.560 4.245 1.00 0.00 C ATOM 105 N1 DT A 4 -3.285 -1.192 3.619 1.00 0.00 N ATOM 106 C2 DT A 4 -2.222 -0.383 3.291 1.00 0.00 C ATOM 107 O2 DT A 4 -2.221 0.819 3.508 1.00 0.00 O ATOM 108 N3 DT A 4 -1.154 -1.022 2.698 1.00 0.00 N ATOM 109 C4 DT A 4 -1.082 -2.377 2.413 1.00 0.00 C ATOM 110 O4 DT A 4 -0.075 -2.833 1.874 1.00 0.00 O ATOM 111 C5 DT A 4 -2.234 -3.164 2.783 1.00 0.00 C ATOM 112 C7 DT A 4 -2.258 -4.618 2.428 1.00 0.00 C ATOM 113 C6 DT A 4 -3.263 -2.546 3.370 1.00 0.00 C ATOM 0 H5' DT A 4 -5.661 -2.008 7.873 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.240 -2.233 7.147 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.183 -0.098 6.614 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.474 -1.774 4.687 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.738 -1.892 3.110 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.068 -0.193 2.838 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.320 0.515 4.138 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.683 -4.779 1.516 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.820 -5.198 3.240 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.288 -4.937 2.269 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.118 -3.137 3.663 1.00 0.00 H new ATOM 125 P DT A 5 -8.662 0.472 3.554 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.713 1.381 4.077 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.046 -0.857 3.011 1.00 0.00 O ATOM 128 O5' DT A 5 -7.850 1.254 2.429 1.00 0.00 O ATOM 129 C5' DT A 5 -7.048 2.386 2.762 1.00 0.00 C ATOM 130 C4' DT A 5 -6.432 2.974 1.515 1.00 0.00 C ATOM 131 O4' DT A 5 -5.288 2.171 1.141 1.00 0.00 O ATOM 132 C3' DT A 5 -7.353 3.011 0.292 1.00 0.00 C ATOM 133 O3' DT A 5 -7.299 4.307 -0.310 1.00 0.00 O ATOM 134 C2' DT A 5 -6.784 1.963 -0.646 1.00 0.00 C ATOM 135 C1' DT A 5 -5.331 1.878 -0.242 1.00 0.00 C ATOM 136 N1 DT A 5 -4.703 0.561 -0.437 1.00 0.00 N ATOM 137 C2 DT A 5 -3.478 0.522 -1.059 1.00 0.00 C ATOM 138 O2 DT A 5 -2.912 1.515 -1.479 1.00 0.00 O ATOM 139 N3 DT A 5 -2.937 -0.729 -1.177 1.00 0.00 N ATOM 140 C4 DT A 5 -3.488 -1.919 -0.753 1.00 0.00 C ATOM 141 O4 DT A 5 -2.852 -2.962 -0.872 1.00 0.00 O ATOM 142 C5 DT A 5 -4.789 -1.810 -0.129 1.00 0.00 C ATOM 143 C7 DT A 5 -5.497 -3.059 0.292 1.00 0.00 C ATOM 144 C6 DT A 5 -5.327 -0.590 0.004 1.00 0.00 C ATOM 0 H5' DT A 5 -6.264 2.093 3.460 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.657 3.137 3.264 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.187 4.004 1.774 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.396 2.814 0.539 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.289 1.004 -0.530 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.894 2.257 -1.690 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.777 2.570 -0.876 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.024 -0.788 -1.629 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.212 -3.879 -0.367 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.222 -3.305 1.318 1.00 0.00 H new ATOM 0 H73 DT A 5 -6.574 -2.904 0.233 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.293 -0.502 0.478 1.00 0.00 H new ATOM 157 P DC A 6 -8.428 4.746 -1.364 1.00 0.00 P ATOM 158 OP1 DC A 6 -8.831 6.132 -1.013 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.459 3.680 -1.439 1.00 0.00 O ATOM 160 O5' DC A 6 -7.656 4.794 -2.756 1.00 0.00 O ATOM 161 C5' DC A 6 -6.574 5.703 -2.961 1.00 0.00 C ATOM 162 C4' DC A 6 -5.605 5.145 -3.977 1.00 0.00 C ATOM 163 O4' DC A 6 -5.232 3.803 -3.585 1.00 0.00 O ATOM 164 C3' DC A 6 -6.151 5.040 -5.405 1.00 0.00 C ATOM 165 O3' DC A 6 -5.352 5.832 -6.292 1.00 0.00 O ATOM 166 C2' DC A 6 -6.037 3.563 -5.756 1.00 0.00 C ATOM 167 C1' DC A 6 -5.050 3.023 -4.745 1.00 0.00 C ATOM 168 N1 DC A 6 -5.248 1.612 -4.379 1.00 0.00 N ATOM 169 C2 DC A 6 -4.151 0.749 -4.421 1.00 0.00 C ATOM 170 O2 DC A 6 -3.051 1.193 -4.780 1.00 0.00 O ATOM 171 N3 DC A 6 -4.313 -0.547 -4.074 1.00 0.00 N ATOM 172 C4 DC A 6 -5.514 -0.990 -3.696 1.00 0.00 C ATOM 173 N4 DC A 6 -5.623 -2.273 -3.352 1.00 0.00 N ATOM 174 C5 DC A 6 -6.654 -0.134 -3.652 1.00 0.00 C ATOM 175 C6 DC A 6 -6.477 1.148 -4.000 1.00 0.00 C ATOM 0 H5' DC A 6 -6.058 5.884 -2.018 1.00 0.00 H new ATOM 0 H5'' DC A 6 -6.958 6.664 -3.304 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.773 5.849 -3.990 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.176 5.401 -5.490 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.001 3.059 -5.682 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.681 3.421 -6.777 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.054 3.076 -5.184 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.525 -2.647 -3.058 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.804 -2.881 -3.383 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.622 -0.505 -3.350 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.318 1.825 -3.981 1.00 0.00 H new ATOM 187 P DC A 7 -5.626 5.782 -7.877 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.137 7.063 -8.448 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.035 5.369 -8.102 1.00 0.00 O ATOM 190 O5' DC A 7 -4.675 4.612 -8.396 1.00 0.00 O ATOM 191 C5' DC A 7 -3.254 4.738 -8.329 1.00 0.00 C ATOM 192 C4' DC A 7 -2.591 3.625 -9.107 1.00 0.00 C ATOM 193 O4' DC A 7 -2.847 2.374 -8.431 1.00 0.00 O ATOM 194 C3' DC A 7 -3.089 3.448 -10.546 1.00 0.00 C ATOM 195 O3' DC A 7 -1.984 3.538 -11.450 1.00 0.00 O ATOM 196 C2' DC A 7 -3.691 2.051 -10.579 1.00 0.00 C ATOM 197 C1' DC A 7 -3.055 1.363 -9.391 1.00 0.00 C ATOM 198 N1 DC A 7 -3.868 0.310 -8.760 1.00 0.00 N ATOM 199 C2 DC A 7 -3.254 -0.895 -8.424 1.00 0.00 C ATOM 200 O2 DC A 7 -2.056 -1.052 -8.690 1.00 0.00 O ATOM 201 N3 DC A 7 -3.978 -1.861 -7.817 1.00 0.00 N ATOM 202 C4 DC A 7 -5.268 -1.657 -7.549 1.00 0.00 C ATOM 203 N4 DC A 7 -5.936 -2.635 -6.936 1.00 0.00 N ATOM 204 C5 DC A 7 -5.927 -0.441 -7.894 1.00 0.00 C ATOM 205 C6 DC A 7 -5.195 0.507 -8.495 1.00 0.00 C ATOM 0 H5' DC A 7 -2.928 4.708 -7.289 1.00 0.00 H new ATOM 0 H5'' DC A 7 -2.948 5.704 -8.731 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.537 3.899 -9.156 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.811 4.210 -10.839 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.777 2.080 -10.492 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.460 1.536 -11.512 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.153 0.864 -9.746 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.924 -2.516 -6.714 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.458 -3.502 -6.689 1.00 0.00 H new ATOM 0 H5 DC A 7 -6.975 -0.290 -7.680 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.660 1.441 -8.774 1.00 0.00 H new ATOM 217 P DA A 8 -2.238 3.908 -12.994 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.023 5.370 -13.137 1.00 0.00 O ATOM 219 OP2 DA A 8 -3.531 3.312 -13.420 1.00 0.00 O ATOM 220 O5' DA A 8 -1.063 3.155 -13.763 1.00 0.00 O ATOM 221 C5' DA A 8 0.306 3.500 -13.532 1.00 0.00 C ATOM 222 C4' DA A 8 1.192 2.291 -13.725 1.00 0.00 C ATOM 223 O4' DA A 8 0.609 1.168 -13.025 1.00 0.00 O ATOM 224 C3' DA A 8 1.375 1.841 -15.175 1.00 0.00 C ATOM 225 O3' DA A 8 2.707 1.376 -15.401 1.00 0.00 O ATOM 226 C2' DA A 8 0.382 0.705 -15.336 1.00 0.00 C ATOM 227 C1' DA A 8 0.208 0.151 -13.931 1.00 0.00 C ATOM 228 N9 DA A 8 -1.175 -0.203 -13.614 1.00 0.00 N ATOM 229 C8 DA A 8 -2.291 0.551 -13.871 1.00 0.00 C ATOM 230 N7 DA A 8 -3.410 -0.013 -13.483 1.00 0.00 N ATOM 231 C5 DA A 8 -3.001 -1.219 -12.932 1.00 0.00 C ATOM 232 C6 DA A 8 -3.712 -2.279 -12.343 1.00 0.00 C ATOM 233 N6 DA A 8 -5.038 -2.297 -12.211 1.00 0.00 N ATOM 234 N1 DA A 8 -3.002 -3.335 -11.890 1.00 0.00 N ATOM 235 C2 DA A 8 -1.669 -3.318 -12.028 1.00 0.00 C ATOM 236 N3 DA A 8 -0.889 -2.384 -12.566 1.00 0.00 N ATOM 237 C4 DA A 8 -1.625 -1.347 -13.004 1.00 0.00 C ATOM 0 H5' DA A 8 0.424 3.888 -12.520 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.608 4.294 -14.215 1.00 0.00 H new ATOM 0 H4' DA A 8 2.168 2.595 -13.347 1.00 0.00 H new ATOM 0 H3' DA A 8 1.211 2.651 -15.885 1.00 0.00 H new ATOM 0 H2' DA A 8 -0.565 1.060 -15.743 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.757 -0.057 -16.020 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.800 1.092 -16.334 1.00 0.00 H new ATOM 0 H1' DA A 8 0.803 -0.759 -13.856 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.252 1.519 -14.348 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.496 -3.097 -11.774 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.595 -1.511 -12.547 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.154 -4.188 -11.648 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.691 -10.890 -8.912 1.00 0.00 O ATOM 252 C5' DT B 9 -4.642 -11.660 -9.509 1.00 0.00 C ATOM 253 C4' DT B 9 -3.317 -10.938 -9.418 1.00 0.00 C ATOM 254 O4' DT B 9 -3.373 -9.753 -10.250 1.00 0.00 O ATOM 255 C3' DT B 9 -2.944 -10.445 -8.019 1.00 0.00 C ATOM 256 O3' DT B 9 -1.526 -10.507 -7.829 1.00 0.00 O ATOM 257 C2' DT B 9 -3.420 -9.004 -8.025 1.00 0.00 C ATOM 258 C1' DT B 9 -3.151 -8.594 -9.461 1.00 0.00 C ATOM 259 N1 DT B 9 -4.027 -7.521 -9.971 1.00 0.00 N ATOM 260 C2 DT B 9 -3.433 -6.377 -10.455 1.00 0.00 C ATOM 261 O2 DT B 9 -2.225 -6.216 -10.487 1.00 0.00 O ATOM 262 N3 DT B 9 -4.307 -5.425 -10.902 1.00 0.00 N ATOM 263 C4 DT B 9 -5.683 -5.496 -10.915 1.00 0.00 C ATOM 264 O4 DT B 9 -6.338 -4.550 -11.343 1.00 0.00 O ATOM 265 C5 DT B 9 -6.242 -6.725 -10.396 1.00 0.00 C ATOM 266 C7 DT B 9 -7.730 -6.887 -10.362 1.00 0.00 C ATOM 267 C6 DT B 9 -5.399 -7.668 -9.955 1.00 0.00 C ATOM 0 H5' DT B 9 -4.881 -11.857 -10.554 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.568 -12.627 -9.011 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.573 -11.672 -9.729 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.385 -11.040 -7.219 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.476 -8.921 -7.767 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.869 -8.388 -7.314 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.538 -11.378 -8.986 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.136 -8.200 -9.510 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.894 -4.566 -11.267 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.984 -7.941 -10.471 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.115 -6.518 -9.411 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.176 -6.320 -11.179 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.813 -8.588 -9.568 1.00 0.00 H new ATOM 281 P DG B 10 -0.929 -10.829 -6.371 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.697 -12.294 -6.305 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.796 -10.178 -5.356 1.00 0.00 O ATOM 284 O5' DG B 10 0.490 -10.101 -6.359 1.00 0.00 O ATOM 285 C5' DG B 10 1.565 -10.564 -7.179 1.00 0.00 C ATOM 286 C4' DG B 10 2.496 -9.422 -7.518 1.00 0.00 C ATOM 287 O4' DG B 10 1.712 -8.269 -7.903 1.00 0.00 O ATOM 288 C3' DG B 10 3.389 -8.946 -6.373 1.00 0.00 C ATOM 289 O3' DG B 10 4.639 -8.461 -6.886 1.00 0.00 O ATOM 290 C2' DG B 10 2.584 -7.823 -5.750 1.00 0.00 C ATOM 291 C1' DG B 10 1.825 -7.239 -6.929 1.00 0.00 C ATOM 292 N9 DG B 10 0.478 -6.790 -6.599 1.00 0.00 N ATOM 293 C8 DG B 10 -0.444 -7.448 -5.827 1.00 0.00 C ATOM 294 N7 DG B 10 -1.577 -6.810 -5.719 1.00 0.00 N ATOM 295 C5 DG B 10 -1.385 -5.650 -6.460 1.00 0.00 C ATOM 296 C6 DG B 10 -2.261 -4.562 -6.711 1.00 0.00 C ATOM 297 O6 DG B 10 -3.426 -4.400 -6.324 1.00 0.00 O ATOM 298 N1 DG B 10 -1.656 -3.595 -7.508 1.00 0.00 N ATOM 299 C2 DG B 10 -0.377 -3.665 -7.999 1.00 0.00 C ATOM 300 N2 DG B 10 0.029 -2.631 -8.744 1.00 0.00 N ATOM 301 N3 DG B 10 0.445 -4.672 -7.778 1.00 0.00 N ATOM 302 C4 DG B 10 -0.119 -5.622 -7.005 1.00 0.00 C ATOM 0 H5' DG B 10 1.170 -11.004 -8.095 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.115 -11.349 -6.660 1.00 0.00 H new ATOM 0 H4' DG B 10 3.136 -9.816 -8.307 1.00 0.00 H new ATOM 0 H3' DG B 10 3.640 -9.732 -5.661 1.00 0.00 H new ATOM 0 H2' DG B 10 1.907 -8.193 -4.980 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.228 -7.080 -5.279 1.00 0.00 H new ATOM 0 H1' DG B 10 2.375 -6.364 -7.276 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.252 -8.400 -5.355 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.206 -2.770 -7.746 1.00 0.00 H new ATOM 0 H21 DG B 10 0.970 -2.624 -9.138 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.602 -1.849 -8.918 1.00 0.00 H new ATOM 314 P DG B 11 5.594 -7.556 -5.957 1.00 0.00 P ATOM 315 OP1 DG B 11 6.868 -7.361 -6.693 1.00 0.00 O ATOM 316 OP2 DG B 11 5.617 -8.149 -4.595 1.00 0.00 O ATOM 317 O5' DG B 11 4.844 -6.150 -5.876 1.00 0.00 O ATOM 318 C5' DG B 11 4.991 -5.173 -6.911 1.00 0.00 C ATOM 319 C4' DG B 11 4.855 -3.779 -6.343 1.00 0.00 C ATOM 320 O4' DG B 11 3.450 -3.467 -6.167 1.00 0.00 O ATOM 321 C3' DG B 11 5.514 -3.566 -4.976 1.00 0.00 C ATOM 322 O3' DG B 11 6.291 -2.362 -4.996 1.00 0.00 O ATOM 323 C2' DG B 11 4.341 -3.447 -4.019 1.00 0.00 C ATOM 324 C1' DG B 11 3.256 -2.872 -4.900 1.00 0.00 C ATOM 325 N9 DG B 11 1.898 -3.171 -4.462 1.00 0.00 N ATOM 326 C8 DG B 11 1.482 -4.290 -3.788 1.00 0.00 C ATOM 327 N7 DG B 11 0.204 -4.292 -3.528 1.00 0.00 N ATOM 328 C5 DG B 11 -0.253 -3.092 -4.059 1.00 0.00 C ATOM 329 C6 DG B 11 -1.558 -2.533 -4.080 1.00 0.00 C ATOM 330 O6 DG B 11 -2.607 -3.000 -3.622 1.00 0.00 O ATOM 331 N1 DG B 11 -1.574 -1.298 -4.717 1.00 0.00 N ATOM 332 C2 DG B 11 -0.479 -0.678 -5.263 1.00 0.00 C ATOM 333 N2 DG B 11 -0.699 0.516 -5.822 1.00 0.00 N ATOM 334 N3 DG B 11 0.740 -1.189 -5.256 1.00 0.00 N ATOM 335 C4 DG B 11 0.780 -2.389 -4.641 1.00 0.00 C ATOM 0 H5' DG B 11 4.237 -5.334 -7.681 1.00 0.00 H new ATOM 0 H5'' DG B 11 5.964 -5.284 -7.389 1.00 0.00 H new ATOM 0 H4' DG B 11 5.362 -3.137 -7.063 1.00 0.00 H new ATOM 0 H3' DG B 11 6.194 -4.369 -4.692 1.00 0.00 H new ATOM 0 H2' DG B 11 4.057 -4.414 -3.604 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.569 -2.793 -3.177 1.00 0.00 H new ATOM 0 H1' DG B 11 3.338 -1.785 -4.886 1.00 0.00 H new ATOM 0 H8 DG B 11 2.147 -5.091 -3.501 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.470 -0.815 -4.784 1.00 0.00 H new ATOM 0 H21 DG B 11 0.073 1.031 -6.246 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.639 0.913 -5.824 1.00 0.00 H new ATOM 347 P DA B 12 7.263 -2.009 -3.763 1.00 0.00 P ATOM 348 OP1 DA B 12 8.657 -2.241 -4.222 1.00 0.00 O ATOM 349 OP2 DA B 12 6.770 -2.699 -2.544 1.00 0.00 O ATOM 350 O5' DA B 12 7.067 -0.439 -3.561 1.00 0.00 O ATOM 351 C5' DA B 12 6.928 0.435 -4.684 1.00 0.00 C ATOM 352 C4' DA B 12 6.101 1.644 -4.311 1.00 0.00 C ATOM 353 O4' DA B 12 4.738 1.218 -4.063 1.00 0.00 O ATOM 354 C3' DA B 12 6.560 2.379 -3.048 1.00 0.00 C ATOM 355 O3' DA B 12 6.513 3.796 -3.250 1.00 0.00 O ATOM 356 C2' DA B 12 5.555 1.957 -1.992 1.00 0.00 C ATOM 357 C1' DA B 12 4.302 1.668 -2.792 1.00 0.00 C ATOM 358 N9 DA B 12 3.457 0.627 -2.212 1.00 0.00 N ATOM 359 C8 DA B 12 3.891 -0.476 -1.528 1.00 0.00 C ATOM 360 N7 DA B 12 2.924 -1.261 -1.121 1.00 0.00 N ATOM 361 C5 DA B 12 1.772 -0.624 -1.559 1.00 0.00 C ATOM 362 C6 DA B 12 0.408 -0.946 -1.439 1.00 0.00 C ATOM 363 N6 DA B 12 -0.046 -2.032 -0.811 1.00 0.00 N ATOM 364 N1 DA B 12 -0.487 -0.097 -1.991 1.00 0.00 N ATOM 365 C2 DA B 12 -0.034 0.998 -2.614 1.00 0.00 C ATOM 366 N3 DA B 12 1.221 1.408 -2.791 1.00 0.00 N ATOM 367 C4 DA B 12 2.085 0.543 -2.234 1.00 0.00 C ATOM 0 H5' DA B 12 6.455 -0.096 -5.510 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.912 0.752 -5.030 1.00 0.00 H new ATOM 0 H4' DA B 12 6.206 2.332 -5.150 1.00 0.00 H new ATOM 0 H3' DA B 12 7.586 2.140 -2.770 1.00 0.00 H new ATOM 0 H2' DA B 12 5.893 1.077 -1.445 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.389 2.745 -1.258 1.00 0.00 H new ATOM 0 H1' DA B 12 3.700 2.576 -2.823 1.00 0.00 H new ATOM 0 H8 DA B 12 4.935 -0.681 -1.341 1.00 0.00 H new ATOM 0 H61 DA B 12 -1.049 -2.209 -0.759 1.00 0.00 H new ATOM 0 H62 DA B 12 0.610 -2.685 -0.383 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.794 1.640 -3.033 1.00 0.00 H new HETATM 379 P EDI B 13 7.316 4.773 -2.256 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.293 5.529 -3.079 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.795 3.984 -1.091 1.00 0.00 O HETATM 382 O5' EDI B 13 6.209 5.796 -1.739 1.00 0.00 O HETATM 383 C5' EDI B 13 5.712 6.832 -2.587 1.00 0.00 C HETATM 384 C4' EDI B 13 4.460 7.440 -1.997 1.00 0.00 C HETATM 385 O4' EDI B 13 3.527 6.380 -1.676 1.00 0.00 O HETATM 386 C3' EDI B 13 4.664 8.219 -0.697 1.00 0.00 C HETATM 387 O3' EDI B 13 3.754 9.324 -0.632 1.00 0.00 O HETATM 388 C2' EDI B 13 4.364 7.197 0.378 1.00 0.00 C HETATM 389 C1' EDI B 13 3.348 6.279 -0.270 1.00 0.00 C HETATM 390 N9 EDI B 13 3.525 4.884 0.107 1.00 0.00 N HETATM 391 C8 EDI B 13 4.718 4.236 0.290 1.00 0.00 C HETATM 392 N7 EDI B 13 4.577 2.985 0.633 1.00 0.00 N HETATM 393 C5 EDI B 13 3.202 2.798 0.678 1.00 0.00 C HETATM 394 C6 EDI B 13 2.441 1.643 0.991 1.00 0.00 C HETATM 395 O6 EDI B 13 2.846 0.516 1.302 1.00 0.00 O HETATM 396 N1 EDI B 13 1.072 1.897 0.914 1.00 0.00 N HETATM 397 C2 EDI B 13 0.516 3.107 0.581 1.00 0.00 C HETATM 398 N3 EDI B 13 1.214 4.188 0.288 1.00 0.00 N HETATM 399 C4 EDI B 13 2.540 3.963 0.355 1.00 0.00 C HETATM 400 C11 EDI B 13 0.001 -0.203 2.339 1.00 0.00 C HETATM 401 C12 EDI B 13 0.158 0.796 1.206 1.00 0.00 C ATOM 415 P DC B 14 3.649 10.200 0.713 1.00 0.00 P ATOM 416 OP1 DC B 14 3.221 11.563 0.309 1.00 0.00 O ATOM 417 OP2 DC B 14 4.901 10.028 1.493 1.00 0.00 O ATOM 418 O5' DC B 14 2.457 9.522 1.526 1.00 0.00 O ATOM 419 C5' DC B 14 1.169 10.140 1.601 1.00 0.00 C ATOM 420 C4' DC B 14 0.159 9.187 2.199 1.00 0.00 C ATOM 421 O4' DC B 14 0.663 7.836 2.085 1.00 0.00 O ATOM 422 C3' DC B 14 -0.145 9.415 3.684 1.00 0.00 C ATOM 423 O3' DC B 14 -1.559 9.544 3.881 1.00 0.00 O ATOM 424 C2' DC B 14 0.380 8.171 4.383 1.00 0.00 C ATOM 425 C1' DC B 14 0.441 7.130 3.288 1.00 0.00 C ATOM 426 N1 DC B 14 1.530 6.156 3.443 1.00 0.00 N ATOM 427 C2 DC B 14 1.213 4.804 3.585 1.00 0.00 C ATOM 428 O2 DC B 14 0.022 4.463 3.602 1.00 0.00 O ATOM 429 N3 DC B 14 2.213 3.900 3.704 1.00 0.00 N ATOM 430 C4 DC B 14 3.484 4.306 3.686 1.00 0.00 C ATOM 431 N4 DC B 14 4.435 3.375 3.787 1.00 0.00 N ATOM 432 C5 DC B 14 3.835 5.682 3.558 1.00 0.00 C ATOM 433 C6 DC B 14 2.834 6.564 3.440 1.00 0.00 C ATOM 0 H5' DC B 14 0.846 10.444 0.605 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.228 11.044 2.207 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.762 9.361 1.642 1.00 0.00 H new ATOM 0 H3' DC B 14 0.315 10.325 4.070 1.00 0.00 H new ATOM 0 H2' DC B 14 1.362 8.345 4.822 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.281 7.860 5.192 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.488 6.561 3.312 1.00 0.00 H new ATOM 0 H41 DC B 14 5.418 3.647 3.777 1.00 0.00 H new ATOM 0 H42 DC B 14 4.179 2.392 3.874 1.00 0.00 H new ATOM 0 H5 DC B 14 4.867 6.000 3.556 1.00 0.00 H new ATOM 0 H6 DC B 14 3.061 7.615 3.341 1.00 0.00 H new ATOM 445 P DT B 15 -2.130 10.041 5.301 1.00 0.00 P ATOM 446 OP1 DT B 15 -3.569 10.354 5.106 1.00 0.00 O ATOM 447 OP2 DT B 15 -1.219 11.084 5.835 1.00 0.00 O ATOM 448 O5' DT B 15 -2.021 8.754 6.236 1.00 0.00 O ATOM 449 C5' DT B 15 -2.952 7.676 6.113 1.00 0.00 C ATOM 450 C4' DT B 15 -2.728 6.659 7.209 1.00 0.00 C ATOM 451 O4' DT B 15 -1.502 5.942 6.936 1.00 0.00 O ATOM 452 C3' DT B 15 -2.585 7.236 8.623 1.00 0.00 C ATOM 453 O3' DT B 15 -3.575 6.653 9.481 1.00 0.00 O ATOM 454 C2' DT B 15 -1.179 6.845 9.054 1.00 0.00 C ATOM 455 C1' DT B 15 -0.849 5.674 8.156 1.00 0.00 C ATOM 456 N1 DT B 15 0.585 5.487 7.870 1.00 0.00 N ATOM 457 C2 DT B 15 1.094 4.209 7.914 1.00 0.00 C ATOM 458 O2 DT B 15 0.424 3.234 8.209 1.00 0.00 O ATOM 459 N3 DT B 15 2.423 4.114 7.605 1.00 0.00 N ATOM 460 C4 DT B 15 3.278 5.141 7.274 1.00 0.00 C ATOM 461 O4 DT B 15 4.439 4.890 6.962 1.00 0.00 O ATOM 462 C5 DT B 15 2.686 6.460 7.270 1.00 0.00 C ATOM 463 C7 DT B 15 3.561 7.646 7.005 1.00 0.00 C ATOM 464 C6 DT B 15 1.381 6.568 7.560 1.00 0.00 C ATOM 0 H5' DT B 15 -2.841 7.200 5.139 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.971 8.059 6.166 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.622 6.035 7.200 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.731 8.315 8.665 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.475 7.666 8.919 1.00 0.00 H new ATOM 0 H2'' DT B 15 -1.145 6.566 10.107 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.166 4.762 8.663 1.00 0.00 H new ATOM 0 H3 DT B 15 2.826 3.177 7.622 1.00 0.00 H new ATOM 0 H71 DT B 15 2.976 8.429 6.522 1.00 0.00 H new ATOM 0 H72 DT B 15 3.961 8.021 7.947 1.00 0.00 H new ATOM 0 H73 DT B 15 4.384 7.353 6.353 1.00 0.00 H new ATOM 0 H6 DT B 15 0.932 7.550 7.550 1.00 0.00 H new ATOM 477 P DG B 16 -3.473 6.848 11.074 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.842 6.690 11.628 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.709 8.091 11.352 1.00 0.00 O ATOM 480 O5' DG B 16 -2.596 5.607 11.552 1.00 0.00 O ATOM 481 C5' DG B 16 -3.148 4.288 11.595 1.00 0.00 C ATOM 482 C4' DG B 16 -2.394 3.439 12.593 1.00 0.00 C ATOM 483 O4' DG B 16 -1.160 2.989 11.984 1.00 0.00 O ATOM 484 C3' DG B 16 -1.999 4.166 13.880 1.00 0.00 C ATOM 485 O3' DG B 16 -2.202 3.327 15.019 1.00 0.00 O ATOM 486 C2' DG B 16 -0.526 4.468 13.688 1.00 0.00 C ATOM 487 C1' DG B 16 -0.060 3.326 12.809 1.00 0.00 C ATOM 488 N9 DG B 16 1.062 3.670 11.945 1.00 0.00 N ATOM 489 C8 DG B 16 1.302 4.891 11.372 1.00 0.00 C ATOM 490 N7 DG B 16 2.388 4.917 10.648 1.00 0.00 N ATOM 491 C5 DG B 16 2.896 3.629 10.752 1.00 0.00 C ATOM 492 C6 DG B 16 4.061 3.049 10.183 1.00 0.00 C ATOM 493 O6 DG B 16 4.906 3.577 9.452 1.00 0.00 O ATOM 494 N1 DG B 16 4.197 1.713 10.546 1.00 0.00 N ATOM 495 C2 DG B 16 3.326 1.022 11.350 1.00 0.00 C ATOM 496 N2 DG B 16 3.628 -0.260 11.583 1.00 0.00 N ATOM 497 N3 DG B 16 2.239 1.549 11.888 1.00 0.00 N ATOM 498 C4 DG B 16 2.087 2.846 11.548 1.00 0.00 C ATOM 0 H5' DG B 16 -3.097 3.832 10.606 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.202 4.336 11.870 1.00 0.00 H new ATOM 0 H4' DG B 16 -3.075 2.631 12.860 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.593 5.063 14.058 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.371 5.435 13.210 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.009 4.492 14.637 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.942 3.810 15.831 1.00 0.00 H new ATOM 0 H1' DG B 16 0.280 2.514 13.452 1.00 0.00 H new ATOM 0 H8 DG B 16 0.657 5.747 11.506 1.00 0.00 H new ATOM 0 H1 DG B 16 5.007 1.208 10.187 1.00 0.00 H new ATOM 0 H21 DG B 16 3.020 -0.828 12.173 1.00 0.00 H new ATOM 0 H22 DG B 16 4.466 -0.670 11.171 1.00 0.00 H new TER 511 DG B 16