USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=7 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=-0.00314) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc= -0.0182 (180deg=-0.0182) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.336 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl -30:sc= 0 (180deg=-0.000989) USER MOD Single : B 9 DT O5' : rot 180:sc= -0.162 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.011) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.084 -2.964 8.832 1.00 0.00 O ATOM 2 C5' DC A 1 11.168 -3.681 10.069 1.00 0.00 C ATOM 3 C4' DC A 1 9.798 -4.106 10.547 1.00 0.00 C ATOM 4 O4' DC A 1 9.022 -2.921 10.845 1.00 0.00 O ATOM 5 C3' DC A 1 8.977 -4.899 9.531 1.00 0.00 C ATOM 6 O3' DC A 1 8.157 -5.869 10.194 1.00 0.00 O ATOM 7 C2' DC A 1 8.118 -3.836 8.873 1.00 0.00 C ATOM 8 C1' DC A 1 7.878 -2.854 10.006 1.00 0.00 C ATOM 9 N1 DC A 1 7.714 -1.455 9.576 1.00 0.00 N ATOM 10 C2 DC A 1 6.528 -0.786 9.891 1.00 0.00 C ATOM 11 O2 DC A 1 5.649 -1.389 10.524 1.00 0.00 O ATOM 12 N3 DC A 1 6.367 0.498 9.500 1.00 0.00 N ATOM 13 C4 DC A 1 7.337 1.114 8.820 1.00 0.00 C ATOM 14 N4 DC A 1 7.135 2.380 8.456 1.00 0.00 N ATOM 15 C5 DC A 1 8.557 0.457 8.485 1.00 0.00 C ATOM 16 C6 DC A 1 8.702 -0.815 8.879 1.00 0.00 C ATOM 0 H5' DC A 1 11.642 -3.054 10.825 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.801 -4.559 9.941 1.00 0.00 H new ATOM 0 H4' DC A 1 9.983 -4.750 11.407 1.00 0.00 H new ATOM 0 H3' DC A 1 9.592 -5.454 8.822 1.00 0.00 H new ATOM 0 H2' DC A 1 8.628 -3.367 8.031 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.185 -4.249 8.490 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.983 -2.699 8.546 1.00 0.00 H new ATOM 0 H1' DC A 1 6.945 -3.134 10.496 1.00 0.00 H new ATOM 0 H41 DC A 1 7.854 2.882 7.935 1.00 0.00 H new ATOM 0 H42 DC A 1 6.261 2.847 8.698 1.00 0.00 H new ATOM 0 H5 DC A 1 9.335 0.965 7.935 1.00 0.00 H new ATOM 0 H6 DC A 1 9.614 -1.344 8.643 1.00 0.00 H new ATOM 29 P DA A 2 7.205 -6.838 9.330 1.00 0.00 P ATOM 30 OP1 DA A 2 6.902 -8.022 10.173 1.00 0.00 O ATOM 31 OP2 DA A 2 7.821 -7.031 7.991 1.00 0.00 O ATOM 32 O5' DA A 2 5.860 -6.002 9.147 1.00 0.00 O ATOM 33 C5' DA A 2 4.983 -5.772 10.252 1.00 0.00 C ATOM 34 C4' DA A 2 3.642 -5.270 9.769 1.00 0.00 C ATOM 35 O4' DA A 2 3.756 -3.859 9.471 1.00 0.00 O ATOM 36 C3' DA A 2 3.101 -5.939 8.497 1.00 0.00 C ATOM 37 O3' DA A 2 1.805 -6.497 8.782 1.00 0.00 O ATOM 38 C2' DA A 2 3.050 -4.814 7.474 1.00 0.00 C ATOM 39 C1' DA A 2 2.998 -3.565 8.320 1.00 0.00 C ATOM 40 N9 DA A 2 3.581 -2.387 7.685 1.00 0.00 N ATOM 41 C8 DA A 2 4.647 -2.359 6.828 1.00 0.00 C ATOM 42 N7 DA A 2 4.981 -1.155 6.435 1.00 0.00 N ATOM 43 C5 DA A 2 4.057 -0.333 7.066 1.00 0.00 C ATOM 44 C6 DA A 2 3.865 1.058 7.057 1.00 0.00 C ATOM 45 N6 DA A 2 4.637 1.908 6.377 1.00 0.00 N ATOM 46 N1 DA A 2 2.844 1.554 7.786 1.00 0.00 N ATOM 47 C2 DA A 2 2.074 0.703 8.478 1.00 0.00 C ATOM 48 N3 DA A 2 2.161 -0.619 8.573 1.00 0.00 N ATOM 49 C4 DA A 2 3.183 -1.081 7.833 1.00 0.00 C ATOM 0 H5' DA A 2 5.427 -5.044 10.931 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.850 -6.695 10.817 1.00 0.00 H new ATOM 0 H4' DA A 2 2.948 -5.504 10.576 1.00 0.00 H new ATOM 0 H3' DA A 2 3.710 -6.764 8.126 1.00 0.00 H new ATOM 0 H2' DA A 2 3.926 -4.822 6.825 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.175 -4.898 6.829 1.00 0.00 H new ATOM 0 H1' DA A 2 1.954 -3.319 8.512 1.00 0.00 H new ATOM 0 H8 DA A 2 5.166 -3.249 6.505 1.00 0.00 H new ATOM 0 H61 DA A 2 4.446 2.909 6.411 1.00 0.00 H new ATOM 0 H62 DA A 2 5.418 1.556 5.824 1.00 0.00 H new ATOM 0 H2 DA A 2 1.269 1.156 9.037 1.00 0.00 H new ATOM 61 P DG A 3 0.689 -6.611 7.624 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.277 -7.648 8.069 1.00 0.00 O ATOM 63 OP2 DG A 3 1.354 -6.751 6.303 1.00 0.00 O ATOM 64 O5' DG A 3 -0.057 -5.203 7.681 1.00 0.00 O ATOM 65 C5' DG A 3 -0.542 -4.680 8.922 1.00 0.00 C ATOM 66 C4' DG A 3 -1.681 -3.717 8.682 1.00 0.00 C ATOM 67 O4' DG A 3 -1.138 -2.436 8.276 1.00 0.00 O ATOM 68 C3' DG A 3 -2.663 -4.134 7.586 1.00 0.00 C ATOM 69 O3' DG A 3 -4.006 -3.812 7.964 1.00 0.00 O ATOM 70 C2' DG A 3 -2.228 -3.318 6.384 1.00 0.00 C ATOM 71 C1' DG A 3 -1.582 -2.083 6.975 1.00 0.00 C ATOM 72 N9 DG A 3 -0.426 -1.613 6.220 1.00 0.00 N ATOM 73 C8 DG A 3 0.582 -2.389 5.712 1.00 0.00 C ATOM 74 N7 DG A 3 1.508 -1.702 5.103 1.00 0.00 N ATOM 75 C5 DG A 3 1.074 -0.386 5.199 1.00 0.00 C ATOM 76 C6 DG A 3 1.661 0.811 4.718 1.00 0.00 C ATOM 77 O6 DG A 3 2.724 0.957 4.103 1.00 0.00 O ATOM 78 N1 DG A 3 0.882 1.920 5.023 1.00 0.00 N ATOM 79 C2 DG A 3 -0.307 1.885 5.705 1.00 0.00 C ATOM 80 N2 DG A 3 -0.917 3.063 5.884 1.00 0.00 N ATOM 81 N3 DG A 3 -0.862 0.778 6.171 1.00 0.00 N ATOM 82 C4 DG A 3 -0.123 -0.314 5.881 1.00 0.00 C ATOM 0 H5' DG A 3 0.266 -4.173 9.450 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.877 -5.497 9.561 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.228 -3.687 9.624 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.654 -5.206 7.391 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.526 -3.873 5.761 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.078 -3.058 5.753 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.318 -1.279 6.966 1.00 0.00 H new ATOM 0 H8 DG A 3 0.607 -3.465 5.807 1.00 0.00 H new ATOM 0 H1 DG A 3 1.221 2.832 4.716 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.805 3.107 6.383 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.494 3.917 5.521 1.00 0.00 H new ATOM 94 P DT A 4 -5.239 -4.444 7.146 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.313 -4.749 8.126 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.726 -5.521 6.260 1.00 0.00 O ATOM 97 O5' DT A 4 -5.735 -3.243 6.223 1.00 0.00 O ATOM 98 C5' DT A 4 -6.291 -2.060 6.797 1.00 0.00 C ATOM 99 C4' DT A 4 -5.993 -0.866 5.921 1.00 0.00 C ATOM 100 O4' DT A 4 -4.606 -0.925 5.511 1.00 0.00 O ATOM 101 C3' DT A 4 -6.821 -0.775 4.634 1.00 0.00 C ATOM 102 O3' DT A 4 -7.574 0.443 4.618 1.00 0.00 O ATOM 103 C2' DT A 4 -5.795 -0.782 3.510 1.00 0.00 C ATOM 104 C1' DT A 4 -4.492 -0.432 4.196 1.00 0.00 C ATOM 105 N1 DT A 4 -3.299 -1.039 3.578 1.00 0.00 N ATOM 106 C2 DT A 4 -2.253 -0.208 3.251 1.00 0.00 C ATOM 107 O2 DT A 4 -2.276 0.993 3.471 1.00 0.00 O ATOM 108 N3 DT A 4 -1.177 -0.826 2.655 1.00 0.00 N ATOM 109 C4 DT A 4 -1.077 -2.179 2.369 1.00 0.00 C ATOM 110 O4 DT A 4 -0.061 -2.614 1.831 1.00 0.00 O ATOM 111 C5 DT A 4 -2.212 -2.990 2.742 1.00 0.00 C ATOM 112 C7 DT A 4 -2.215 -4.441 2.373 1.00 0.00 C ATOM 113 C6 DT A 4 -3.251 -2.391 3.332 1.00 0.00 C ATOM 0 H5' DT A 4 -5.878 -1.902 7.793 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.369 -2.175 6.913 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.241 0.002 6.532 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.536 -1.592 4.541 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.741 -1.757 3.026 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.046 -0.056 2.737 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.348 0.646 4.130 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.646 -4.584 1.454 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.760 -5.021 3.176 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.241 -4.775 2.220 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.093 -2.998 3.630 1.00 0.00 H new ATOM 125 P DT A 5 -8.694 0.674 3.488 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.664 1.665 4.018 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.181 -0.651 3.024 1.00 0.00 O ATOM 128 O5' DT A 5 -7.893 1.357 2.294 1.00 0.00 O ATOM 129 C5' DT A 5 -7.174 2.573 2.496 1.00 0.00 C ATOM 130 C4' DT A 5 -6.586 3.054 1.191 1.00 0.00 C ATOM 131 O4' DT A 5 -5.390 2.287 0.919 1.00 0.00 O ATOM 132 C3' DT A 5 -7.500 2.881 -0.027 1.00 0.00 C ATOM 133 O3' DT A 5 -7.651 4.130 -0.710 1.00 0.00 O ATOM 134 C2' DT A 5 -6.778 1.880 -0.912 1.00 0.00 C ATOM 135 C1' DT A 5 -5.342 1.948 -0.450 1.00 0.00 C ATOM 136 N1 DT A 5 -4.588 0.686 -0.576 1.00 0.00 N ATOM 137 C2 DT A 5 -3.338 0.743 -1.148 1.00 0.00 C ATOM 138 O2 DT A 5 -2.840 1.776 -1.558 1.00 0.00 O ATOM 139 N3 DT A 5 -2.691 -0.460 -1.226 1.00 0.00 N ATOM 140 C4 DT A 5 -3.157 -1.687 -0.808 1.00 0.00 C ATOM 141 O4 DT A 5 -2.439 -2.678 -0.912 1.00 0.00 O ATOM 142 C5 DT A 5 -4.482 -1.680 -0.230 1.00 0.00 C ATOM 143 C7 DT A 5 -5.112 -2.983 0.154 1.00 0.00 C ATOM 144 C6 DT A 5 -5.125 -0.507 -0.132 1.00 0.00 C ATOM 0 H5' DT A 5 -6.379 2.417 3.226 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.839 3.333 2.906 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.409 4.122 1.323 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.500 2.544 0.247 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.187 0.877 -0.795 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.870 2.141 -1.966 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.824 2.669 -1.082 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.759 -0.447 -1.640 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.785 -2.827 0.997 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.675 -3.378 -0.692 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.335 -3.694 0.436 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.108 -0.494 0.315 1.00 0.00 H new ATOM 157 P DC A 6 -8.757 4.279 -1.868 1.00 0.00 P ATOM 158 OP1 DC A 6 -9.651 5.400 -1.483 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.338 2.940 -2.149 1.00 0.00 O ATOM 160 O5' DC A 6 -7.920 4.731 -3.146 1.00 0.00 O ATOM 161 C5' DC A 6 -6.756 5.548 -3.013 1.00 0.00 C ATOM 162 C4' DC A 6 -5.682 5.080 -3.965 1.00 0.00 C ATOM 163 O4' DC A 6 -5.279 3.746 -3.579 1.00 0.00 O ATOM 164 C3' DC A 6 -6.113 4.993 -5.434 1.00 0.00 C ATOM 165 O3' DC A 6 -5.280 5.833 -6.242 1.00 0.00 O ATOM 166 C2' DC A 6 -5.916 3.531 -5.809 1.00 0.00 C ATOM 167 C1' DC A 6 -4.990 2.998 -4.737 1.00 0.00 C ATOM 168 N1 DC A 6 -5.172 1.574 -4.415 1.00 0.00 N ATOM 169 C2 DC A 6 -4.046 0.752 -4.350 1.00 0.00 C ATOM 170 O2 DC A 6 -2.931 1.241 -4.582 1.00 0.00 O ATOM 171 N3 DC A 6 -4.196 -0.555 -4.040 1.00 0.00 N ATOM 172 C4 DC A 6 -5.413 -1.047 -3.801 1.00 0.00 C ATOM 173 N4 DC A 6 -5.510 -2.340 -3.489 1.00 0.00 N ATOM 174 C5 DC A 6 -6.582 -0.235 -3.868 1.00 0.00 C ATOM 175 C6 DC A 6 -6.417 1.059 -4.179 1.00 0.00 C ATOM 0 H5' DC A 6 -6.388 5.506 -1.988 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.007 6.589 -3.219 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.888 5.824 -3.898 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.141 5.322 -5.587 1.00 0.00 H new ATOM 0 H2' DC A 6 -6.863 2.992 -5.822 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.477 3.429 -6.802 1.00 0.00 H new ATOM 0 H1' DC A 6 -3.966 3.090 -5.099 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.424 -2.752 -3.300 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.670 -2.917 -3.440 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.562 -0.646 -3.676 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.280 1.704 -4.244 1.00 0.00 H new ATOM 187 P DC A 7 -5.420 5.795 -7.845 1.00 0.00 P ATOM 188 OP1 DC A 7 -4.818 7.047 -8.373 1.00 0.00 O ATOM 189 OP2 DC A 7 -6.825 5.456 -8.188 1.00 0.00 O ATOM 190 O5' DC A 7 -4.495 4.574 -8.283 1.00 0.00 O ATOM 191 C5' DC A 7 -3.072 4.662 -8.202 1.00 0.00 C ATOM 192 C4' DC A 7 -2.431 3.651 -9.124 1.00 0.00 C ATOM 193 O4' DC A 7 -2.643 2.329 -8.575 1.00 0.00 O ATOM 194 C3' DC A 7 -2.991 3.624 -10.551 1.00 0.00 C ATOM 195 O3' DC A 7 -1.923 3.767 -11.493 1.00 0.00 O ATOM 196 C2' DC A 7 -3.641 2.256 -10.683 1.00 0.00 C ATOM 197 C1' DC A 7 -2.959 1.429 -9.616 1.00 0.00 C ATOM 198 N1 DC A 7 -3.771 0.347 -9.036 1.00 0.00 N ATOM 199 C2 DC A 7 -3.174 -0.896 -8.827 1.00 0.00 C ATOM 200 O2 DC A 7 -1.992 -1.056 -9.158 1.00 0.00 O ATOM 201 N3 DC A 7 -3.896 -1.893 -8.271 1.00 0.00 N ATOM 202 C4 DC A 7 -5.170 -1.684 -7.932 1.00 0.00 C ATOM 203 N4 DC A 7 -5.838 -2.695 -7.375 1.00 0.00 N ATOM 204 C5 DC A 7 -5.810 -0.429 -8.145 1.00 0.00 C ATOM 205 C6 DC A 7 -5.080 0.549 -8.697 1.00 0.00 C ATOM 0 H5' DC A 7 -2.748 4.486 -7.176 1.00 0.00 H new ATOM 0 H5'' DC A 7 -2.747 5.667 -8.471 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.383 3.944 -9.190 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.697 4.432 -10.743 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.718 2.307 -10.522 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.487 1.834 -11.676 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.106 0.937 -10.083 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.813 -2.573 -7.103 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.373 -3.590 -7.222 1.00 0.00 H new ATOM 0 H5 DC A 7 -6.843 -0.272 -7.872 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.533 1.513 -8.877 1.00 0.00 H new ATOM 217 P DA A 8 -2.226 4.331 -12.967 1.00 0.00 P ATOM 218 OP1 DA A 8 -1.685 5.713 -13.032 1.00 0.00 O ATOM 219 OP2 DA A 8 -3.657 4.088 -13.284 1.00 0.00 O ATOM 220 O5' DA A 8 -1.343 3.407 -13.918 1.00 0.00 O ATOM 221 C5' DA A 8 0.061 3.252 -13.696 1.00 0.00 C ATOM 222 C4' DA A 8 0.512 1.883 -14.150 1.00 0.00 C ATOM 223 O4' DA A 8 -0.282 0.897 -13.453 1.00 0.00 O ATOM 224 C3' DA A 8 0.341 1.612 -15.649 1.00 0.00 C ATOM 225 O3' DA A 8 1.596 1.266 -16.236 1.00 0.00 O ATOM 226 C2' DA A 8 -0.612 0.430 -15.735 1.00 0.00 C ATOM 227 C1' DA A 8 -0.679 -0.136 -14.328 1.00 0.00 C ATOM 228 N9 DA A 8 -2.015 -0.568 -13.924 1.00 0.00 N ATOM 229 C8 DA A 8 -3.196 0.110 -14.098 1.00 0.00 C ATOM 230 N7 DA A 8 -4.244 -0.524 -13.633 1.00 0.00 N ATOM 231 C5 DA A 8 -3.719 -1.699 -13.115 1.00 0.00 C ATOM 232 C6 DA A 8 -4.315 -2.801 -12.478 1.00 0.00 C ATOM 233 N6 DA A 8 -5.624 -2.903 -12.247 1.00 0.00 N ATOM 234 N1 DA A 8 -3.508 -3.810 -12.082 1.00 0.00 N ATOM 235 C2 DA A 8 -2.193 -3.708 -12.316 1.00 0.00 C ATOM 236 N3 DA A 8 -1.516 -2.725 -12.906 1.00 0.00 N ATOM 237 C4 DA A 8 -2.347 -1.740 -13.287 1.00 0.00 C ATOM 0 H5' DA A 8 0.286 3.385 -12.638 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.610 4.022 -14.238 1.00 0.00 H new ATOM 0 H4' DA A 8 1.579 1.831 -13.933 1.00 0.00 H new ATOM 0 H3' DA A 8 -0.037 2.487 -16.179 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.597 0.744 -16.080 1.00 0.00 H new ATOM 0 H2'' DA A 8 -0.250 -0.316 -16.442 1.00 0.00 H new ATOM 0 HO3' DA A 8 1.473 1.094 -17.193 1.00 0.00 H new ATOM 0 H1' DA A 8 -0.038 -1.017 -14.295 1.00 0.00 H new ATOM 0 H8 DA A 8 -3.256 1.077 -14.575 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.996 -3.729 -11.780 1.00 0.00 H new ATOM 0 H62 DA A 8 -6.253 -2.155 -12.538 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.597 -4.542 -11.978 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.551 -11.327 -8.771 1.00 0.00 O ATOM 252 C5' DT B 9 -4.483 -12.125 -9.293 1.00 0.00 C ATOM 253 C4' DT B 9 -3.182 -11.357 -9.302 1.00 0.00 C ATOM 254 O4' DT B 9 -3.312 -10.230 -10.203 1.00 0.00 O ATOM 255 C3' DT B 9 -2.776 -10.762 -7.953 1.00 0.00 C ATOM 256 O3' DT B 9 -1.348 -10.738 -7.827 1.00 0.00 O ATOM 257 C2' DT B 9 -3.329 -9.352 -8.022 1.00 0.00 C ATOM 258 C1' DT B 9 -3.143 -9.013 -9.490 1.00 0.00 C ATOM 259 N1 DT B 9 -4.111 -8.036 -10.025 1.00 0.00 N ATOM 260 C2 DT B 9 -3.617 -6.890 -10.604 1.00 0.00 C ATOM 261 O2 DT B 9 -2.426 -6.652 -10.701 1.00 0.00 O ATOM 262 N3 DT B 9 -4.572 -6.027 -11.068 1.00 0.00 N ATOM 263 C4 DT B 9 -5.939 -6.188 -11.014 1.00 0.00 C ATOM 264 O4 DT B 9 -6.674 -5.314 -11.463 1.00 0.00 O ATOM 265 C5 DT B 9 -6.391 -7.416 -10.397 1.00 0.00 C ATOM 266 C7 DT B 9 -7.861 -7.674 -10.290 1.00 0.00 C ATOM 267 C6 DT B 9 -5.468 -8.272 -9.938 1.00 0.00 C ATOM 0 H5' DT B 9 -4.726 -12.445 -10.306 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.372 -13.027 -8.691 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.425 -12.084 -9.596 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.148 -11.329 -7.099 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.376 -9.309 -7.723 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.784 -8.667 -7.373 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.382 -11.847 -8.778 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.160 -8.555 -9.602 1.00 0.00 H new ATOM 0 H3 DT B 9 -4.234 -5.168 -11.503 1.00 0.00 H new ATOM 0 H71 DT B 9 -8.392 -6.726 -10.205 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.203 -8.203 -11.180 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.060 -8.282 -9.408 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.802 -9.190 -9.478 1.00 0.00 H new ATOM 281 P DG B 10 -0.676 -10.792 -6.366 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.314 -12.207 -6.100 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.561 -10.070 -5.415 1.00 0.00 O ATOM 284 O5' DG B 10 0.672 -9.957 -6.527 1.00 0.00 O ATOM 285 C5' DG B 10 1.728 -10.414 -7.377 1.00 0.00 C ATOM 286 C4' DG B 10 2.671 -9.278 -7.700 1.00 0.00 C ATOM 287 O4' DG B 10 1.900 -8.118 -8.090 1.00 0.00 O ATOM 288 C3' DG B 10 3.550 -8.810 -6.542 1.00 0.00 C ATOM 289 O3' DG B 10 4.801 -8.310 -7.038 1.00 0.00 O ATOM 290 C2' DG B 10 2.731 -7.700 -5.915 1.00 0.00 C ATOM 291 C1' DG B 10 1.988 -7.103 -7.098 1.00 0.00 C ATOM 292 N9 DG B 10 0.632 -6.667 -6.787 1.00 0.00 N ATOM 293 C8 DG B 10 -0.292 -7.331 -6.023 1.00 0.00 C ATOM 294 N7 DG B 10 -1.433 -6.703 -5.931 1.00 0.00 N ATOM 295 C5 DG B 10 -1.244 -5.547 -6.677 1.00 0.00 C ATOM 296 C6 DG B 10 -2.129 -4.470 -6.945 1.00 0.00 C ATOM 297 O6 DG B 10 -3.299 -4.317 -6.571 1.00 0.00 O ATOM 298 N1 DG B 10 -1.526 -3.502 -7.742 1.00 0.00 N ATOM 299 C2 DG B 10 -0.241 -3.562 -8.221 1.00 0.00 C ATOM 300 N2 DG B 10 0.161 -2.529 -8.969 1.00 0.00 N ATOM 301 N3 DG B 10 0.589 -4.559 -7.982 1.00 0.00 N ATOM 302 C4 DG B 10 0.027 -5.510 -7.208 1.00 0.00 C ATOM 0 H5' DG B 10 1.312 -10.823 -8.298 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.274 -11.221 -6.888 1.00 0.00 H new ATOM 0 H4' DG B 10 3.318 -9.675 -8.482 1.00 0.00 H new ATOM 0 H3' DG B 10 3.800 -9.602 -5.836 1.00 0.00 H new ATOM 0 H2' DG B 10 2.044 -8.084 -5.161 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.364 -6.961 -5.423 1.00 0.00 H new ATOM 0 H1' DG B 10 2.538 -6.219 -7.420 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.096 -8.279 -5.545 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.082 -2.684 -7.990 1.00 0.00 H new ATOM 0 H21 DG B 10 1.105 -2.515 -9.354 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.477 -1.755 -9.155 1.00 0.00 H new ATOM 314 P DG B 11 5.743 -7.417 -6.086 1.00 0.00 P ATOM 315 OP1 DG B 11 7.013 -7.181 -6.820 1.00 0.00 O ATOM 316 OP2 DG B 11 5.781 -8.046 -4.741 1.00 0.00 O ATOM 317 O5' DG B 11 4.972 -6.026 -5.963 1.00 0.00 O ATOM 318 C5' DG B 11 5.142 -4.997 -6.944 1.00 0.00 C ATOM 319 C4' DG B 11 4.969 -3.634 -6.314 1.00 0.00 C ATOM 320 O4' DG B 11 3.555 -3.347 -6.173 1.00 0.00 O ATOM 321 C3' DG B 11 5.575 -3.482 -4.914 1.00 0.00 C ATOM 322 O3' DG B 11 6.350 -2.276 -4.852 1.00 0.00 O ATOM 323 C2' DG B 11 4.369 -3.402 -3.997 1.00 0.00 C ATOM 324 C1' DG B 11 3.317 -2.795 -4.895 1.00 0.00 C ATOM 325 N9 DG B 11 1.944 -3.106 -4.515 1.00 0.00 N ATOM 326 C8 DG B 11 1.504 -4.247 -3.897 1.00 0.00 C ATOM 327 N7 DG B 11 0.217 -4.253 -3.679 1.00 0.00 N ATOM 328 C5 DG B 11 -0.218 -3.034 -4.180 1.00 0.00 C ATOM 329 C6 DG B 11 -1.518 -2.469 -4.225 1.00 0.00 C ATOM 330 O6 DG B 11 -2.584 -2.947 -3.818 1.00 0.00 O ATOM 331 N1 DG B 11 -1.509 -1.211 -4.818 1.00 0.00 N ATOM 332 C2 DG B 11 -0.394 -0.576 -5.303 1.00 0.00 C ATOM 333 N2 DG B 11 -0.589 0.639 -5.827 1.00 0.00 N ATOM 334 N3 DG B 11 0.822 -1.092 -5.274 1.00 0.00 N ATOM 335 C4 DG B 11 0.837 -2.313 -4.701 1.00 0.00 C ATOM 0 H5' DG B 11 4.417 -5.128 -7.747 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.132 -5.074 -7.393 1.00 0.00 H new ATOM 0 H4' DG B 11 5.494 -2.952 -6.983 1.00 0.00 H new ATOM 0 H3' DG B 11 6.243 -4.299 -4.641 1.00 0.00 H new ATOM 0 H2' DG B 11 4.072 -4.384 -3.630 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.564 -2.781 -3.123 1.00 0.00 H new ATOM 0 H1' DG B 11 3.400 -1.709 -4.841 1.00 0.00 H new ATOM 0 H8 DG B 11 2.157 -5.061 -3.618 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.401 -0.723 -4.899 1.00 0.00 H new ATOM 0 H21 DG B 11 0.200 1.164 -6.205 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.526 1.041 -5.849 1.00 0.00 H new ATOM 347 P DA B 12 7.278 -1.980 -3.571 1.00 0.00 P ATOM 348 OP1 DA B 12 8.671 -2.329 -3.947 1.00 0.00 O ATOM 349 OP2 DA B 12 6.665 -2.606 -2.371 1.00 0.00 O ATOM 350 O5' DA B 12 7.198 -0.397 -3.401 1.00 0.00 O ATOM 351 C5' DA B 12 7.165 0.465 -4.542 1.00 0.00 C ATOM 352 C4' DA B 12 6.410 1.735 -4.221 1.00 0.00 C ATOM 353 O4' DA B 12 5.013 1.409 -4.017 1.00 0.00 O ATOM 354 C3' DA B 12 6.865 2.458 -2.952 1.00 0.00 C ATOM 355 O3' DA B 12 6.800 3.876 -3.135 1.00 0.00 O ATOM 356 C2' DA B 12 5.866 2.003 -1.906 1.00 0.00 C ATOM 357 C1' DA B 12 4.600 1.787 -2.714 1.00 0.00 C ATOM 358 N9 DA B 12 3.741 0.729 -2.188 1.00 0.00 N ATOM 359 C8 DA B 12 4.157 -0.412 -1.557 1.00 0.00 C ATOM 360 N7 DA B 12 3.178 -1.199 -1.185 1.00 0.00 N ATOM 361 C5 DA B 12 2.036 -0.526 -1.598 1.00 0.00 C ATOM 362 C6 DA B 12 0.668 -0.833 -1.495 1.00 0.00 C ATOM 363 N6 DA B 12 0.198 -1.939 -0.917 1.00 0.00 N ATOM 364 N1 DA B 12 -0.214 0.052 -2.010 1.00 0.00 N ATOM 365 C2 DA B 12 0.257 1.168 -2.583 1.00 0.00 C ATOM 366 N3 DA B 12 1.519 1.567 -2.738 1.00 0.00 N ATOM 367 C4 DA B 12 2.369 0.664 -2.218 1.00 0.00 C ATOM 0 H5' DA B 12 6.690 -0.047 -5.379 1.00 0.00 H new ATOM 0 H5'' DA B 12 8.181 0.707 -4.852 1.00 0.00 H new ATOM 0 H4' DA B 12 6.597 2.396 -5.067 1.00 0.00 H new ATOM 0 H3' DA B 12 7.896 2.234 -2.677 1.00 0.00 H new ATOM 0 H2' DA B 12 6.189 1.088 -1.410 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.725 2.754 -1.129 1.00 0.00 H new ATOM 0 H1' DA B 12 4.017 2.707 -2.686 1.00 0.00 H new ATOM 0 H8 DA B 12 5.197 -0.643 -1.382 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.808 -2.104 -0.874 1.00 0.00 H new ATOM 0 H62 DA B 12 0.844 -2.620 -0.518 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.493 1.839 -2.975 1.00 0.00 H new HETATM 379 P EDI B 13 7.417 4.858 -2.020 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.419 5.716 -2.699 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.822 4.054 -0.838 1.00 0.00 O HETATM 382 O5' EDI B 13 6.187 5.780 -1.596 1.00 0.00 O HETATM 383 C5' EDI B 13 5.672 6.773 -2.485 1.00 0.00 C HETATM 384 C4' EDI B 13 4.512 7.500 -1.845 1.00 0.00 C HETATM 385 O4' EDI B 13 3.479 6.543 -1.513 1.00 0.00 O HETATM 386 C3' EDI B 13 4.834 8.224 -0.539 1.00 0.00 C HETATM 387 O3' EDI B 13 4.022 9.399 -0.410 1.00 0.00 O HETATM 388 C2' EDI B 13 4.490 7.201 0.522 1.00 0.00 C HETATM 389 C1' EDI B 13 3.372 6.390 -0.104 1.00 0.00 C HETATM 390 N9 EDI B 13 3.458 4.968 0.200 1.00 0.00 N HETATM 391 C8 EDI B 13 4.605 4.227 0.310 1.00 0.00 C HETATM 392 N7 EDI B 13 4.384 2.973 0.593 1.00 0.00 N HETATM 393 C5 EDI B 13 3.000 2.883 0.674 1.00 0.00 C HETATM 394 C6 EDI B 13 2.168 1.772 0.953 1.00 0.00 C HETATM 395 O6 EDI B 13 2.502 0.605 1.191 1.00 0.00 O HETATM 396 N1 EDI B 13 0.819 2.124 0.936 1.00 0.00 N HETATM 397 C2 EDI B 13 0.340 3.388 0.684 1.00 0.00 C HETATM 398 N3 EDI B 13 1.108 4.431 0.422 1.00 0.00 N HETATM 399 C4 EDI B 13 2.416 4.108 0.434 1.00 0.00 C HETATM 400 C11 EDI B 13 -0.041 0.018 2.291 1.00 0.00 C HETATM 401 C12 EDI B 13 -0.163 1.075 1.205 1.00 0.00 C ATOM 415 P DC B 14 4.067 10.261 0.948 1.00 0.00 P ATOM 416 OP1 DC B 14 3.725 11.659 0.584 1.00 0.00 O ATOM 417 OP2 DC B 14 5.346 9.979 1.651 1.00 0.00 O ATOM 418 O5' DC B 14 2.876 9.668 1.826 1.00 0.00 O ATOM 419 C5' DC B 14 1.661 10.399 2.011 1.00 0.00 C ATOM 420 C4' DC B 14 0.608 9.521 2.650 1.00 0.00 C ATOM 421 O4' DC B 14 0.978 8.137 2.456 1.00 0.00 O ATOM 422 C3' DC B 14 0.428 9.720 4.159 1.00 0.00 C ATOM 423 O3' DC B 14 -0.939 10.021 4.459 1.00 0.00 O ATOM 424 C2' DC B 14 0.823 8.387 4.776 1.00 0.00 C ATOM 425 C1' DC B 14 0.739 7.398 3.636 1.00 0.00 C ATOM 426 N1 DC B 14 1.737 6.322 3.700 1.00 0.00 N ATOM 427 C2 DC B 14 1.305 5.001 3.818 1.00 0.00 C ATOM 428 O2 DC B 14 0.088 4.769 3.888 1.00 0.00 O ATOM 429 N3 DC B 14 2.220 4.007 3.857 1.00 0.00 N ATOM 430 C4 DC B 14 3.521 4.297 3.788 1.00 0.00 C ATOM 431 N4 DC B 14 4.388 3.283 3.815 1.00 0.00 N ATOM 432 C5 DC B 14 3.991 5.638 3.683 1.00 0.00 C ATOM 433 C6 DC B 14 3.071 6.610 3.642 1.00 0.00 C ATOM 0 H5' DC B 14 1.302 10.768 1.050 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.846 11.271 2.638 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.330 9.799 2.169 1.00 0.00 H new ATOM 0 H3' DC B 14 1.027 10.546 4.542 1.00 0.00 H new ATOM 0 H2' DC B 14 1.829 8.426 5.193 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.151 8.112 5.589 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.238 6.917 3.677 1.00 0.00 H new ATOM 0 H41 DC B 14 5.390 3.467 3.764 1.00 0.00 H new ATOM 0 H42 DC B 14 4.049 2.324 3.886 1.00 0.00 H new ATOM 0 H5 DC B 14 5.047 5.861 3.638 1.00 0.00 H new ATOM 0 H6 DC B 14 3.389 7.639 3.562 1.00 0.00 H new ATOM 445 P DT B 15 -1.369 10.365 5.970 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.731 10.955 5.918 1.00 0.00 O ATOM 447 OP2 DT B 15 -0.265 11.127 6.610 1.00 0.00 O ATOM 448 O5' DT B 15 -1.465 8.942 6.681 1.00 0.00 O ATOM 449 C5' DT B 15 -2.592 8.088 6.474 1.00 0.00 C ATOM 450 C4' DT B 15 -2.574 6.945 7.462 1.00 0.00 C ATOM 451 O4' DT B 15 -1.417 6.120 7.192 1.00 0.00 O ATOM 452 C3' DT B 15 -2.476 7.361 8.934 1.00 0.00 C ATOM 453 O3' DT B 15 -3.502 6.707 9.692 1.00 0.00 O ATOM 454 C2' DT B 15 -1.095 6.898 9.367 1.00 0.00 C ATOM 455 C1' DT B 15 -0.790 5.768 8.407 1.00 0.00 C ATOM 456 N1 DT B 15 0.641 5.551 8.131 1.00 0.00 N ATOM 457 C2 DT B 15 1.102 4.256 8.089 1.00 0.00 C ATOM 458 O2 DT B 15 0.391 3.287 8.295 1.00 0.00 O ATOM 459 N3 DT B 15 2.434 4.134 7.799 1.00 0.00 N ATOM 460 C4 DT B 15 3.333 5.149 7.562 1.00 0.00 C ATOM 461 O4 DT B 15 4.490 4.878 7.256 1.00 0.00 O ATOM 462 C5 DT B 15 2.790 6.486 7.646 1.00 0.00 C ATOM 463 C7 DT B 15 3.717 7.653 7.498 1.00 0.00 C ATOM 464 C6 DT B 15 1.483 6.623 7.916 1.00 0.00 C ATOM 0 H5' DT B 15 -2.579 7.698 5.456 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.514 8.659 6.585 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.527 6.433 7.328 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.610 8.432 9.086 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.360 7.699 9.292 1.00 0.00 H new ATOM 0 H2'' DT B 15 -1.091 6.558 10.403 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.145 4.842 8.859 1.00 0.00 H new ATOM 0 H3 DT B 15 2.802 3.184 7.753 1.00 0.00 H new ATOM 0 H71 DT B 15 4.707 7.379 7.862 1.00 0.00 H new ATOM 0 H72 DT B 15 3.782 7.935 6.447 1.00 0.00 H new ATOM 0 H73 DT B 15 3.337 8.495 8.077 1.00 0.00 H new ATOM 0 H6 DT B 15 1.070 7.620 7.968 1.00 0.00 H new ATOM 477 P DG B 16 -3.490 6.788 11.298 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.885 6.581 11.764 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.758 8.016 11.704 1.00 0.00 O ATOM 480 O5' DG B 16 -2.621 5.526 11.737 1.00 0.00 O ATOM 481 C5' DG B 16 -3.182 4.211 11.737 1.00 0.00 C ATOM 482 C4' DG B 16 -2.463 3.336 12.739 1.00 0.00 C ATOM 483 O4' DG B 16 -1.214 2.892 12.158 1.00 0.00 O ATOM 484 C3' DG B 16 -2.101 4.032 14.055 1.00 0.00 C ATOM 485 O3' DG B 16 -2.346 3.170 15.169 1.00 0.00 O ATOM 486 C2' DG B 16 -0.619 4.321 13.917 1.00 0.00 C ATOM 487 C1' DG B 16 -0.134 3.204 13.017 1.00 0.00 C ATOM 488 N9 DG B 16 1.008 3.567 12.187 1.00 0.00 N ATOM 489 C8 DG B 16 1.282 4.808 11.675 1.00 0.00 C ATOM 490 N7 DG B 16 2.376 4.842 10.964 1.00 0.00 N ATOM 491 C5 DG B 16 2.853 3.539 11.011 1.00 0.00 C ATOM 492 C6 DG B 16 4.010 2.962 10.427 1.00 0.00 C ATOM 493 O6 DG B 16 4.874 3.504 9.729 1.00 0.00 O ATOM 494 N1 DG B 16 4.113 1.608 10.726 1.00 0.00 N ATOM 495 C2 DG B 16 3.220 0.900 11.492 1.00 0.00 C ATOM 496 N2 DG B 16 3.493 -0.397 11.669 1.00 0.00 N ATOM 497 N3 DG B 16 2.141 1.425 12.043 1.00 0.00 N ATOM 498 C4 DG B 16 2.020 2.739 11.763 1.00 0.00 C ATOM 0 H5' DG B 16 -3.105 3.775 10.741 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.243 4.260 11.982 1.00 0.00 H new ATOM 0 H4' DG B 16 -3.157 2.528 12.967 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.692 4.931 14.232 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.439 5.301 13.476 1.00 0.00 H new ATOM 0 H2'' DG B 16 -0.114 4.309 14.883 1.00 0.00 H new ATOM 0 HO3' DG B 16 -2.107 3.632 15.999 1.00 0.00 H new ATOM 0 H1' DG B 16 0.191 2.376 13.647 1.00 0.00 H new ATOM 0 H8 DG B 16 0.656 5.672 11.843 1.00 0.00 H new ATOM 0 H1 DG B 16 4.913 1.102 10.347 1.00 0.00 H new ATOM 0 H21 DG B 16 2.868 -0.978 12.228 1.00 0.00 H new ATOM 0 H22 DG B 16 4.326 -0.805 11.245 1.00 0.00 H new TER 511 DG B 16