USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -28:sc= 0.00265 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.264 (180deg=-0.264) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.255 (180deg=-0.255) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.438 12.687 24.587 1.00 0.00 O ATOM 2 C5' DG A 1 5.189 11.311 24.776 1.00 0.00 C ATOM 3 C4' DG A 1 3.860 10.928 24.114 1.00 0.00 C ATOM 4 O4' DG A 1 3.953 11.142 22.710 1.00 0.00 O ATOM 5 C3' DG A 1 3.509 9.453 24.346 1.00 0.00 C ATOM 6 O3' DG A 1 2.103 9.291 24.422 1.00 0.00 O ATOM 7 C2' DG A 1 4.103 8.861 23.079 1.00 0.00 C ATOM 8 C1' DG A 1 3.703 9.915 22.055 1.00 0.00 C ATOM 9 N9 DG A 1 4.474 9.794 20.790 1.00 0.00 N ATOM 10 C8 DG A 1 5.839 9.788 20.598 1.00 0.00 C ATOM 11 N7 DG A 1 6.201 9.692 19.350 1.00 0.00 N ATOM 12 C5 DG A 1 5.000 9.641 18.654 1.00 0.00 C ATOM 13 C6 DG A 1 4.761 9.566 17.248 1.00 0.00 C ATOM 14 O6 DG A 1 5.591 9.523 16.343 1.00 0.00 O ATOM 15 N1 DG A 1 3.402 9.546 16.941 1.00 0.00 N ATOM 16 C2 DG A 1 2.389 9.607 17.881 1.00 0.00 C ATOM 17 N2 DG A 1 1.131 9.568 17.431 1.00 0.00 N ATOM 18 N3 DG A 1 2.614 9.695 19.201 1.00 0.00 N ATOM 19 C4 DG A 1 3.937 9.708 19.524 1.00 0.00 C ATOM 0 H5' DG A 1 5.155 11.081 25.841 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.001 10.723 24.349 1.00 0.00 H new ATOM 0 H4' DG A 1 3.083 11.549 24.560 1.00 0.00 H new ATOM 0 H3' DG A 1 3.877 9.001 25.267 1.00 0.00 H new ATOM 0 H2' DG A 1 5.184 8.741 23.147 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.687 7.881 22.847 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.004 12.988 23.762 1.00 0.00 H new ATOM 0 H1' DG A 1 2.663 9.812 21.746 1.00 0.00 H new ATOM 0 H8 DG A 1 6.547 9.857 21.411 1.00 0.00 H new ATOM 0 H1 DG A 1 3.137 9.482 15.958 1.00 0.00 H new ATOM 0 H21 DG A 1 0.353 9.610 18.089 1.00 0.00 H new ATOM 0 H22 DG A 1 0.950 9.496 16.430 1.00 0.00 H new ATOM 32 P DC A 2 1.405 7.848 24.631 1.00 0.00 P ATOM 33 OP1 DC A 2 0.358 7.992 25.667 1.00 0.00 O ATOM 34 OP2 DC A 2 2.461 6.824 24.797 1.00 0.00 O ATOM 35 O5' DC A 2 0.684 7.599 23.206 1.00 0.00 O ATOM 36 C5' DC A 2 -0.438 8.371 22.822 1.00 0.00 C ATOM 37 C4' DC A 2 -1.186 7.854 21.596 1.00 0.00 C ATOM 38 O4' DC A 2 -0.414 7.992 20.416 1.00 0.00 O ATOM 39 C3' DC A 2 -1.543 6.380 21.793 1.00 0.00 C ATOM 40 O3' DC A 2 -2.852 6.146 21.300 1.00 0.00 O ATOM 41 C2' DC A 2 -0.434 5.730 21.002 1.00 0.00 C ATOM 42 C1' DC A 2 -0.230 6.710 19.851 1.00 0.00 C ATOM 43 N1 DC A 2 1.144 6.602 19.313 1.00 0.00 N ATOM 44 C2 DC A 2 1.368 6.422 17.947 1.00 0.00 C ATOM 45 O2 DC A 2 0.442 6.412 17.139 1.00 0.00 O ATOM 46 N3 DC A 2 2.655 6.257 17.521 1.00 0.00 N ATOM 47 C4 DC A 2 3.679 6.240 18.391 1.00 0.00 C ATOM 48 N4 DC A 2 4.924 6.116 17.923 1.00 0.00 N ATOM 49 C5 DC A 2 3.455 6.446 19.792 1.00 0.00 C ATOM 50 C6 DC A 2 2.192 6.651 20.188 1.00 0.00 C ATOM 0 H5' DC A 2 -0.108 9.391 22.625 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.133 8.417 23.661 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.092 8.450 21.484 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.589 6.004 22.815 1.00 0.00 H new ATOM 0 H2' DC A 2 0.471 5.609 21.597 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.717 4.739 20.646 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.920 6.511 19.031 1.00 0.00 H new ATOM 0 H41 DC A 2 5.713 6.101 18.570 1.00 0.00 H new ATOM 0 H42 DC A 2 5.086 6.036 16.919 1.00 0.00 H new ATOM 0 H5 DC A 2 4.271 6.436 20.499 1.00 0.00 H new ATOM 0 H6 DC A 2 1.996 6.861 21.229 1.00 0.00 H new ATOM 62 P DG A 3 -3.468 4.667 21.090 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.933 4.747 21.277 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.678 3.696 21.880 1.00 0.00 O ATOM 65 O5' DG A 3 -3.167 4.427 19.521 1.00 0.00 O ATOM 66 C5' DG A 3 -3.819 5.222 18.547 1.00 0.00 C ATOM 67 C4' DG A 3 -3.593 4.745 17.122 1.00 0.00 C ATOM 68 O4' DG A 3 -2.227 4.804 16.756 1.00 0.00 O ATOM 69 C3' DG A 3 -4.116 3.314 17.008 1.00 0.00 C ATOM 70 O3' DG A 3 -5.129 3.231 16.021 1.00 0.00 O ATOM 71 C2' DG A 3 -2.832 2.568 16.695 1.00 0.00 C ATOM 72 C1' DG A 3 -1.876 3.598 16.112 1.00 0.00 C ATOM 73 N9 DG A 3 -0.459 3.304 16.419 1.00 0.00 N ATOM 74 C8 DG A 3 0.124 3.148 17.649 1.00 0.00 C ATOM 75 N7 DG A 3 1.426 3.187 17.639 1.00 0.00 N ATOM 76 C5 DG A 3 1.734 3.351 16.294 1.00 0.00 C ATOM 77 C6 DG A 3 2.998 3.516 15.659 1.00 0.00 C ATOM 78 O6 DG A 3 4.094 3.669 16.193 1.00 0.00 O ATOM 79 N1 DG A 3 2.897 3.491 14.271 1.00 0.00 N ATOM 80 C2 DG A 3 1.704 3.422 13.573 1.00 0.00 C ATOM 81 N2 DG A 3 1.767 3.420 12.239 1.00 0.00 N ATOM 82 N3 DG A 3 0.506 3.387 14.175 1.00 0.00 N ATOM 83 C4 DG A 3 0.589 3.343 15.532 1.00 0.00 C ATOM 0 H5' DG A 3 -3.470 6.251 18.637 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.889 5.230 18.753 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.129 5.403 16.438 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.617 2.905 17.885 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.415 2.115 17.595 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.014 1.760 15.986 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.960 3.620 15.025 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.449 3.004 18.553 1.00 0.00 H new ATOM 0 H1 DG A 3 3.762 3.526 13.731 1.00 0.00 H new ATOM 0 H21 DG A 3 0.910 3.370 11.688 1.00 0.00 H new ATOM 0 H22 DG A 3 2.672 3.468 11.771 1.00 0.00 H new ATOM 95 P DT A 4 -5.847 1.834 15.629 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.086 2.141 14.879 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.901 0.966 16.826 1.00 0.00 O ATOM 98 O5' DT A 4 -4.770 1.222 14.600 1.00 0.00 O ATOM 99 C5' DT A 4 -4.396 1.961 13.459 1.00 0.00 C ATOM 100 C4' DT A 4 -3.190 1.395 12.719 1.00 0.00 C ATOM 101 O4' DT A 4 -2.031 1.533 13.512 1.00 0.00 O ATOM 102 C3' DT A 4 -3.334 -0.083 12.328 1.00 0.00 C ATOM 103 O3' DT A 4 -3.360 -0.189 10.917 1.00 0.00 O ATOM 104 C2' DT A 4 -2.104 -0.702 12.990 1.00 0.00 C ATOM 105 C1' DT A 4 -1.165 0.488 13.149 1.00 0.00 C ATOM 106 N1 DT A 4 -0.166 0.233 14.209 1.00 0.00 N ATOM 107 C2 DT A 4 1.194 0.209 13.900 1.00 0.00 C ATOM 108 O2 DT A 4 1.631 0.254 12.753 1.00 0.00 O ATOM 109 N3 DT A 4 2.060 0.130 14.983 1.00 0.00 N ATOM 110 C4 DT A 4 1.688 0.025 16.317 1.00 0.00 C ATOM 111 O4 DT A 4 2.547 -0.013 17.195 1.00 0.00 O ATOM 112 C5 DT A 4 0.253 -0.029 16.535 1.00 0.00 C ATOM 113 C7 DT A 4 -0.310 -0.199 17.926 1.00 0.00 C ATOM 114 C6 DT A 4 -0.604 0.080 15.496 1.00 0.00 C ATOM 0 H5' DT A 4 -4.177 2.986 13.759 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.242 2.004 12.773 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.116 1.969 11.796 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.248 -0.584 12.649 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.348 -1.155 13.951 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.663 -1.484 12.372 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.589 0.704 12.249 1.00 0.00 H new ATOM 0 H3 DT A 4 3.059 0.151 14.780 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.281 0.291 17.988 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.425 -1.261 18.145 1.00 0.00 H new ATOM 0 H73 DT A 4 0.369 0.249 18.651 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.666 0.045 15.687 1.00 0.00 H new ATOM 127 P DA A 5 -3.469 -1.607 10.158 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.094 -1.380 8.836 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.048 -2.603 11.087 1.00 0.00 O ATOM 130 O5' DA A 5 -1.917 -1.968 9.932 1.00 0.00 O ATOM 131 C5' DA A 5 -1.105 -1.187 9.076 1.00 0.00 C ATOM 132 C4' DA A 5 0.300 -1.785 8.996 1.00 0.00 C ATOM 133 O4' DA A 5 0.966 -1.678 10.243 1.00 0.00 O ATOM 134 C3' DA A 5 0.278 -3.269 8.593 1.00 0.00 C ATOM 135 O3' DA A 5 1.037 -3.408 7.406 1.00 0.00 O ATOM 136 C2' DA A 5 0.866 -3.944 9.837 1.00 0.00 C ATOM 137 C1' DA A 5 1.754 -2.837 10.417 1.00 0.00 C ATOM 138 N9 DA A 5 2.041 -3.027 11.855 1.00 0.00 N ATOM 139 C8 DA A 5 1.116 -3.229 12.837 1.00 0.00 C ATOM 140 N7 DA A 5 1.566 -3.108 14.053 1.00 0.00 N ATOM 141 C5 DA A 5 2.918 -2.855 13.863 1.00 0.00 C ATOM 142 C6 DA A 5 3.979 -2.626 14.762 1.00 0.00 C ATOM 143 N6 DA A 5 3.789 -2.514 16.080 1.00 0.00 N ATOM 144 N1 DA A 5 5.223 -2.488 14.267 1.00 0.00 N ATOM 145 C2 DA A 5 5.399 -2.544 12.948 1.00 0.00 C ATOM 146 N3 DA A 5 4.480 -2.696 11.995 1.00 0.00 N ATOM 147 C4 DA A 5 3.234 -2.853 12.525 1.00 0.00 C ATOM 0 H5' DA A 5 -1.052 -0.163 9.446 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.548 -1.144 8.081 1.00 0.00 H new ATOM 0 H4' DA A 5 0.829 -1.216 8.231 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.689 -3.710 8.350 1.00 0.00 H new ATOM 0 H2' DA A 5 0.090 -4.253 10.538 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.440 -4.835 9.584 1.00 0.00 H new ATOM 0 H1' DA A 5 2.729 -2.806 9.930 1.00 0.00 H new ATOM 0 H8 DA A 5 0.086 -3.472 12.622 1.00 0.00 H new ATOM 0 H61 DA A 5 4.584 -2.348 16.698 1.00 0.00 H new ATOM 0 H62 DA A 5 2.849 -2.594 16.468 1.00 0.00 H new ATOM 0 H2 DA A 5 6.420 -2.455 12.606 1.00 0.00 H new ATOM 159 P DC A 6 1.304 -4.830 6.696 1.00 0.00 P ATOM 160 OP1 DC A 6 1.658 -4.585 5.281 1.00 0.00 O ATOM 161 OP2 DC A 6 0.199 -5.753 7.036 1.00 0.00 O ATOM 162 O5' DC A 6 2.626 -5.304 7.475 1.00 0.00 O ATOM 163 C5' DC A 6 3.806 -4.526 7.441 1.00 0.00 C ATOM 164 C4' DC A 6 4.833 -5.103 8.411 1.00 0.00 C ATOM 165 O4' DC A 6 4.345 -4.930 9.722 1.00 0.00 O ATOM 166 C3' DC A 6 5.166 -6.588 8.249 1.00 0.00 C ATOM 167 O3' DC A 6 6.368 -6.787 7.525 1.00 0.00 O ATOM 168 C2' DC A 6 5.223 -7.082 9.693 1.00 0.00 C ATOM 169 C1' DC A 6 5.058 -5.827 10.531 1.00 0.00 C ATOM 170 N1 DC A 6 4.339 -6.084 11.805 1.00 0.00 N ATOM 171 C2 DC A 6 5.018 -5.908 13.007 1.00 0.00 C ATOM 172 O2 DC A 6 6.235 -5.748 13.041 1.00 0.00 O ATOM 173 N3 DC A 6 4.301 -5.915 14.163 1.00 0.00 N ATOM 174 C4 DC A 6 2.977 -6.121 14.164 1.00 0.00 C ATOM 175 N4 DC A 6 2.329 -6.053 15.331 1.00 0.00 N ATOM 176 C5 DC A 6 2.263 -6.363 12.940 1.00 0.00 C ATOM 177 C6 DC A 6 2.990 -6.340 11.798 1.00 0.00 C ATOM 0 H5' DC A 6 3.580 -3.494 7.708 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.214 -4.512 6.430 1.00 0.00 H new ATOM 0 H4' DC A 6 5.755 -4.563 8.194 1.00 0.00 H new ATOM 0 H3' DC A 6 4.436 -7.141 7.658 1.00 0.00 H new ATOM 0 H2' DC A 6 4.431 -7.803 9.897 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.169 -7.579 9.905 1.00 0.00 H new ATOM 0 H1' DC A 6 6.029 -5.431 10.829 1.00 0.00 H new ATOM 0 H41 DC A 6 1.321 -6.205 15.364 1.00 0.00 H new ATOM 0 H42 DC A 6 2.843 -5.849 16.188 1.00 0.00 H new ATOM 0 H5 DC A 6 1.200 -6.554 12.932 1.00 0.00 H new ATOM 0 H6 DC A 6 2.496 -6.528 10.856 1.00 0.00 H new ATOM 189 P DG A 7 6.973 -8.264 7.247 1.00 0.00 P ATOM 190 OP1 DG A 7 7.937 -8.163 6.129 1.00 0.00 O ATOM 191 OP2 DG A 7 5.852 -9.227 7.168 1.00 0.00 O ATOM 192 O5' DG A 7 7.803 -8.565 8.601 1.00 0.00 O ATOM 193 C5' DG A 7 8.910 -7.763 8.958 1.00 0.00 C ATOM 194 C4' DG A 7 9.531 -8.155 10.300 1.00 0.00 C ATOM 195 O4' DG A 7 8.644 -7.863 11.369 1.00 0.00 O ATOM 196 C3' DG A 7 9.880 -9.649 10.349 1.00 0.00 C ATOM 197 O3' DG A 7 11.211 -9.823 10.803 1.00 0.00 O ATOM 198 C2' DG A 7 8.823 -10.157 11.318 1.00 0.00 C ATOM 199 C1' DG A 7 8.656 -8.966 12.249 1.00 0.00 C ATOM 200 N9 DG A 7 7.389 -9.038 13.009 1.00 0.00 N ATOM 201 C8 DG A 7 6.143 -9.353 12.536 1.00 0.00 C ATOM 202 N7 DG A 7 5.184 -9.202 13.404 1.00 0.00 N ATOM 203 C5 DG A 7 5.847 -8.799 14.558 1.00 0.00 C ATOM 204 C6 DG A 7 5.332 -8.516 15.859 1.00 0.00 C ATOM 205 O6 DG A 7 4.157 -8.469 16.211 1.00 0.00 O ATOM 206 N1 DG A 7 6.339 -8.275 16.789 1.00 0.00 N ATOM 207 C2 DG A 7 7.690 -8.277 16.495 1.00 0.00 C ATOM 208 N2 DG A 7 8.537 -8.061 17.506 1.00 0.00 N ATOM 209 N3 DG A 7 8.172 -8.487 15.260 1.00 0.00 N ATOM 210 C4 DG A 7 7.204 -8.747 14.341 1.00 0.00 C ATOM 0 H5' DG A 7 8.596 -6.720 9.001 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.669 -7.835 8.179 1.00 0.00 H new ATOM 0 H4' DG A 7 10.446 -7.573 10.405 1.00 0.00 H new ATOM 0 H3' DG A 7 9.862 -10.180 9.397 1.00 0.00 H new ATOM 0 H2' DG A 7 7.893 -10.413 10.811 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.152 -11.049 11.851 1.00 0.00 H new ATOM 0 H1' DG A 7 9.443 -8.914 13.001 1.00 0.00 H new ATOM 0 H8 DG A 7 5.970 -9.698 11.527 1.00 0.00 H new ATOM 0 H1 DG A 7 6.062 -8.084 17.752 1.00 0.00 H new ATOM 0 H21 DG A 7 9.543 -8.054 17.336 1.00 0.00 H new ATOM 0 H22 DG A 7 8.178 -7.904 18.448 1.00 0.00 H new ATOM 222 P DC A 8 11.869 -11.286 10.999 1.00 0.00 P ATOM 223 OP1 DC A 8 13.339 -11.152 10.898 1.00 0.00 O ATOM 224 OP2 DC A 8 11.155 -12.251 10.133 1.00 0.00 O ATOM 225 O5' DC A 8 11.490 -11.603 12.532 1.00 0.00 O ATOM 226 C5' DC A 8 12.145 -10.933 13.589 1.00 0.00 C ATOM 227 C4' DC A 8 11.507 -11.264 14.939 1.00 0.00 C ATOM 228 O4' DC A 8 10.162 -10.847 14.954 1.00 0.00 O ATOM 229 C3' DC A 8 11.459 -12.755 15.276 1.00 0.00 C ATOM 230 O3' DC A 8 12.661 -13.214 15.855 1.00 0.00 O ATOM 231 C2' DC A 8 10.290 -12.826 16.257 1.00 0.00 C ATOM 232 C1' DC A 8 9.536 -11.509 16.032 1.00 0.00 C ATOM 233 N1 DC A 8 8.098 -11.744 15.735 1.00 0.00 N ATOM 234 C2 DC A 8 7.152 -11.539 16.740 1.00 0.00 C ATOM 235 O2 DC A 8 7.485 -11.245 17.886 1.00 0.00 O ATOM 236 N3 DC A 8 5.833 -11.671 16.426 1.00 0.00 N ATOM 237 C4 DC A 8 5.440 -12.005 15.188 1.00 0.00 C ATOM 238 N4 DC A 8 4.130 -12.064 14.930 1.00 0.00 N ATOM 239 C5 DC A 8 6.398 -12.260 14.147 1.00 0.00 C ATOM 240 C6 DC A 8 7.704 -12.115 14.471 1.00 0.00 C ATOM 0 H5' DC A 8 12.105 -9.857 13.420 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.198 -11.215 13.603 1.00 0.00 H new ATOM 0 H4' DC A 8 12.139 -10.750 15.663 1.00 0.00 H new ATOM 0 H3' DC A 8 11.335 -13.390 14.399 1.00 0.00 H new ATOM 0 H2' DC A 8 9.654 -13.689 16.058 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.638 -12.916 17.286 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.584 -14.170 16.055 1.00 0.00 H new ATOM 0 H1' DC A 8 9.571 -10.902 16.937 1.00 0.00 H new ATOM 0 H41 DC A 8 3.805 -12.316 13.997 1.00 0.00 H new ATOM 0 H42 DC A 8 3.455 -11.857 15.667 1.00 0.00 H new ATOM 0 H5 DC A 8 6.090 -12.553 13.154 1.00 0.00 H new ATOM 0 H6 DC A 8 8.456 -12.295 13.717 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.721 -10.751 24.293 1.00 0.00 O ATOM 255 C5' DG B 1 -0.910 -11.362 25.272 1.00 0.00 C ATOM 256 C4' DG B 1 0.564 -10.982 25.084 1.00 0.00 C ATOM 257 O4' DG B 1 1.019 -11.421 23.811 1.00 0.00 O ATOM 258 C3' DG B 1 0.830 -9.475 25.207 1.00 0.00 C ATOM 259 O3' DG B 1 2.017 -9.251 25.950 1.00 0.00 O ATOM 260 C2' DG B 1 0.988 -9.121 23.738 1.00 0.00 C ATOM 261 C1' DG B 1 1.712 -10.350 23.208 1.00 0.00 C ATOM 262 N9 DG B 1 1.668 -10.428 21.725 1.00 0.00 N ATOM 263 C8 DG B 1 0.574 -10.479 20.888 1.00 0.00 C ATOM 264 N7 DG B 1 0.874 -10.580 19.624 1.00 0.00 N ATOM 265 C5 DG B 1 2.262 -10.608 19.609 1.00 0.00 C ATOM 266 C6 DG B 1 3.161 -10.743 18.508 1.00 0.00 C ATOM 267 O6 DG B 1 2.882 -10.861 17.317 1.00 0.00 O ATOM 268 N1 DG B 1 4.496 -10.733 18.907 1.00 0.00 N ATOM 269 C2 DG B 1 4.916 -10.623 20.221 1.00 0.00 C ATOM 270 N2 DG B 1 6.234 -10.619 20.446 1.00 0.00 N ATOM 271 N3 DG B 1 4.069 -10.518 21.258 1.00 0.00 N ATOM 272 C4 DG B 1 2.759 -10.516 20.888 1.00 0.00 C ATOM 0 H5' DG B 1 -1.020 -12.445 25.215 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.243 -11.060 26.265 1.00 0.00 H new ATOM 0 H4' DG B 1 1.108 -11.476 25.889 1.00 0.00 H new ATOM 0 H3' DG B 1 0.070 -8.890 25.725 1.00 0.00 H new ATOM 0 H2' DG B 1 0.027 -8.967 23.247 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.568 -8.209 23.595 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.655 -11.011 24.434 1.00 0.00 H new ATOM 0 H1' DG B 1 2.776 -10.346 23.446 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.443 -10.439 21.248 1.00 0.00 H new ATOM 0 H1 DG B 1 5.210 -10.812 18.183 1.00 0.00 H new ATOM 0 H21 DG B 1 6.588 -10.540 21.399 1.00 0.00 H new ATOM 0 H22 DG B 1 6.885 -10.695 19.664 1.00 0.00 H new ATOM 285 P DC B 2 2.601 -7.769 26.234 1.00 0.00 P ATOM 286 OP1 DC B 2 3.010 -7.703 27.654 1.00 0.00 O ATOM 287 OP2 DC B 2 1.650 -6.769 25.699 1.00 0.00 O ATOM 288 O5' DC B 2 3.932 -7.738 25.316 1.00 0.00 O ATOM 289 C5' DC B 2 5.056 -8.529 25.650 1.00 0.00 C ATOM 290 C4' DC B 2 6.331 -8.193 24.881 1.00 0.00 C ATOM 291 O4' DC B 2 6.224 -8.540 23.511 1.00 0.00 O ATOM 292 C3' DC B 2 6.625 -6.696 24.998 1.00 0.00 C ATOM 293 O3' DC B 2 8.019 -6.505 25.174 1.00 0.00 O ATOM 294 C2' DC B 2 6.075 -6.214 23.678 1.00 0.00 C ATOM 295 C1' DC B 2 6.405 -7.370 22.739 1.00 0.00 C ATOM 296 N1 DC B 2 5.473 -7.390 21.590 1.00 0.00 N ATOM 297 C2 DC B 2 5.951 -7.438 20.279 1.00 0.00 C ATOM 298 O2 DC B 2 7.151 -7.531 20.035 1.00 0.00 O ATOM 299 N3 DC B 2 5.043 -7.383 19.260 1.00 0.00 N ATOM 300 C4 DC B 2 3.728 -7.257 19.505 1.00 0.00 C ATOM 301 N4 DC B 2 2.875 -7.248 18.477 1.00 0.00 N ATOM 302 C5 DC B 2 3.232 -7.229 20.851 1.00 0.00 C ATOM 303 C6 DC B 2 4.131 -7.330 21.839 1.00 0.00 C ATOM 0 H5' DC B 2 4.809 -9.576 25.476 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.254 -8.421 26.717 1.00 0.00 H new ATOM 0 H4' DC B 2 7.144 -8.774 25.318 1.00 0.00 H new ATOM 0 H3' DC B 2 6.190 -6.161 25.842 1.00 0.00 H new ATOM 0 H2' DC B 2 5.002 -6.027 23.730 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.546 -5.284 23.358 1.00 0.00 H new ATOM 0 H1' DC B 2 7.415 -7.283 22.339 1.00 0.00 H new ATOM 0 H41 DC B 2 1.874 -7.153 18.646 1.00 0.00 H new ATOM 0 H42 DC B 2 3.225 -7.336 17.523 1.00 0.00 H new ATOM 0 H5 DC B 2 2.177 -7.131 21.059 1.00 0.00 H new ATOM 0 H6 DC B 2 3.785 -7.365 22.862 1.00 0.00 H new ATOM 315 P DG B 3 8.734 -5.061 25.070 1.00 0.00 P ATOM 316 OP1 DG B 3 9.920 -5.069 25.955 1.00 0.00 O ATOM 317 OP2 DG B 3 7.712 -4.001 25.221 1.00 0.00 O ATOM 318 O5' DG B 3 9.243 -5.076 23.536 1.00 0.00 O ATOM 319 C5' DG B 3 10.248 -5.989 23.134 1.00 0.00 C ATOM 320 C4' DG B 3 10.763 -5.745 21.726 1.00 0.00 C ATOM 321 O4' DG B 3 9.746 -5.906 20.754 1.00 0.00 O ATOM 322 C3' DG B 3 11.340 -4.331 21.666 1.00 0.00 C ATOM 323 O3' DG B 3 12.708 -4.366 21.297 1.00 0.00 O ATOM 324 C2' DG B 3 10.406 -3.687 20.658 1.00 0.00 C ATOM 325 C1' DG B 3 9.809 -4.828 19.846 1.00 0.00 C ATOM 326 N9 DG B 3 8.438 -4.539 19.373 1.00 0.00 N ATOM 327 C8 DG B 3 7.336 -4.216 20.122 1.00 0.00 C ATOM 328 N7 DG B 3 6.205 -4.300 19.483 1.00 0.00 N ATOM 329 C5 DG B 3 6.585 -4.680 18.202 1.00 0.00 C ATOM 330 C6 DG B 3 5.784 -4.983 17.064 1.00 0.00 C ATOM 331 O6 DG B 3 4.562 -5.090 17.010 1.00 0.00 O ATOM 332 N1 DG B 3 6.551 -5.168 15.916 1.00 0.00 N ATOM 333 C2 DG B 3 7.934 -5.166 15.889 1.00 0.00 C ATOM 334 N2 DG B 3 8.531 -5.373 14.711 1.00 0.00 N ATOM 335 N3 DG B 3 8.687 -4.999 16.987 1.00 0.00 N ATOM 336 C4 DG B 3 7.954 -4.750 18.105 1.00 0.00 C ATOM 0 H5' DG B 3 9.852 -7.003 23.197 1.00 0.00 H new ATOM 0 H5'' DG B 3 11.082 -5.929 23.833 1.00 0.00 H new ATOM 0 H4' DG B 3 11.533 -6.482 21.498 1.00 0.00 H new ATOM 0 H3' DG B 3 11.369 -3.775 22.603 1.00 0.00 H new ATOM 0 H2' DG B 3 9.625 -3.116 21.160 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.946 -2.992 20.015 1.00 0.00 H new ATOM 0 H1' DG B 3 10.410 -5.016 18.957 1.00 0.00 H new ATOM 0 H8 DG B 3 7.401 -3.916 21.158 1.00 0.00 H new ATOM 0 H1 DG B 3 6.059 -5.315 15.035 1.00 0.00 H new ATOM 0 H21 DG B 3 9.549 -5.379 14.649 1.00 0.00 H new ATOM 0 H22 DG B 3 7.968 -5.525 13.874 1.00 0.00 H new ATOM 348 P DT B 4 13.589 -3.022 21.099 1.00 0.00 P ATOM 349 OP1 DT B 4 15.020 -3.399 21.103 1.00 0.00 O ATOM 350 OP2 DT B 4 13.094 -1.980 22.026 1.00 0.00 O ATOM 351 O5' DT B 4 13.176 -2.612 19.598 1.00 0.00 O ATOM 352 C5' DT B 4 13.372 -3.528 18.545 1.00 0.00 C ATOM 353 C4' DT B 4 12.704 -3.124 17.235 1.00 0.00 C ATOM 354 O4' DT B 4 11.301 -3.179 17.376 1.00 0.00 O ATOM 355 C3' DT B 4 13.086 -1.720 16.746 1.00 0.00 C ATOM 356 O3' DT B 4 13.799 -1.831 15.529 1.00 0.00 O ATOM 357 C2' DT B 4 11.718 -1.049 16.622 1.00 0.00 C ATOM 358 C1' DT B 4 10.769 -2.234 16.483 1.00 0.00 C ATOM 359 N1 DT B 4 9.393 -1.854 16.870 1.00 0.00 N ATOM 360 C2 DT B 4 8.358 -1.924 15.937 1.00 0.00 C ATOM 361 O2 DT B 4 8.533 -2.158 14.744 1.00 0.00 O ATOM 362 N3 DT B 4 7.079 -1.711 16.435 1.00 0.00 N ATOM 363 C4 DT B 4 6.759 -1.391 17.748 1.00 0.00 C ATOM 364 O4 DT B 4 5.585 -1.251 18.079 1.00 0.00 O ATOM 365 C5 DT B 4 7.908 -1.254 18.626 1.00 0.00 C ATOM 366 C7 DT B 4 7.730 -0.852 20.072 1.00 0.00 C ATOM 367 C6 DT B 4 9.157 -1.490 18.167 1.00 0.00 C ATOM 0 H5' DT B 4 12.990 -4.502 18.850 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.442 -3.645 18.374 1.00 0.00 H new ATOM 0 H4' DT B 4 13.062 -3.835 16.490 1.00 0.00 H new ATOM 0 H3' DT B 4 13.750 -1.145 17.392 1.00 0.00 H new ATOM 0 H2' DT B 4 11.484 -0.444 17.498 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.669 -0.388 15.756 1.00 0.00 H new ATOM 0 H1' DT B 4 10.696 -2.608 15.462 1.00 0.00 H new ATOM 0 H3 DT B 4 6.305 -1.797 15.777 1.00 0.00 H new ATOM 0 H71 DT B 4 8.526 -1.293 20.673 1.00 0.00 H new ATOM 0 H72 DT B 4 7.771 0.234 20.155 1.00 0.00 H new ATOM 0 H73 DT B 4 6.764 -1.207 20.432 1.00 0.00 H new ATOM 0 H6 DT B 4 9.993 -1.388 18.844 1.00 0.00 H new ATOM 380 P DA B 5 14.333 -0.543 14.719 1.00 0.00 P ATOM 381 OP1 DA B 5 15.502 -0.954 13.911 1.00 0.00 O ATOM 382 OP2 DA B 5 14.446 0.597 15.655 1.00 0.00 O ATOM 383 O5' DA B 5 13.101 -0.259 13.722 1.00 0.00 O ATOM 384 C5' DA B 5 12.763 -1.179 12.702 1.00 0.00 C ATOM 385 C4' DA B 5 11.597 -0.638 11.873 1.00 0.00 C ATOM 386 O4' DA B 5 10.410 -0.583 12.646 1.00 0.00 O ATOM 387 C3' DA B 5 11.875 0.771 11.326 1.00 0.00 C ATOM 388 O3' DA B 5 11.803 0.709 9.913 1.00 0.00 O ATOM 389 C2' DA B 5 10.781 1.599 12.010 1.00 0.00 C ATOM 390 C1' DA B 5 9.681 0.557 12.241 1.00 0.00 C ATOM 391 N9 DA B 5 8.739 0.946 13.312 1.00 0.00 N ATOM 392 C8 DA B 5 9.078 1.324 14.578 1.00 0.00 C ATOM 393 N7 DA B 5 8.089 1.375 15.423 1.00 0.00 N ATOM 394 C5 DA B 5 6.990 1.049 14.638 1.00 0.00 C ATOM 395 C6 DA B 5 5.617 0.921 14.930 1.00 0.00 C ATOM 396 N6 DA B 5 5.136 1.020 16.173 1.00 0.00 N ATOM 397 N1 DA B 5 4.766 0.661 13.920 1.00 0.00 N ATOM 398 C2 DA B 5 5.256 0.508 12.692 1.00 0.00 C ATOM 399 N3 DA B 5 6.529 0.549 12.296 1.00 0.00 N ATOM 400 C4 DA B 5 7.365 0.832 13.334 1.00 0.00 C ATOM 0 H5' DA B 5 12.492 -2.139 13.142 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.626 -1.355 12.059 1.00 0.00 H new ATOM 0 H4' DA B 5 11.476 -1.326 11.037 1.00 0.00 H new ATOM 0 H3' DA B 5 12.854 1.206 11.529 1.00 0.00 H new ATOM 0 H2' DA B 5 11.128 2.038 12.945 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.438 2.420 11.380 1.00 0.00 H new ATOM 0 H1' DA B 5 9.065 0.417 11.353 1.00 0.00 H new ATOM 0 H8 DA B 5 10.093 1.564 14.859 1.00 0.00 H new ATOM 0 H61 DA B 5 4.135 0.921 16.342 1.00 0.00 H new ATOM 0 H62 DA B 5 5.770 1.194 16.953 1.00 0.00 H new ATOM 0 H2 DA B 5 4.528 0.327 11.915 1.00 0.00 H new ATOM 412 P DC B 6 11.966 2.003 8.968 1.00 0.00 P ATOM 413 OP1 DC B 6 12.347 1.546 7.613 1.00 0.00 O ATOM 414 OP2 DC B 6 12.790 3.012 9.670 1.00 0.00 O ATOM 415 O5' DC B 6 10.448 2.525 8.919 1.00 0.00 O ATOM 416 C5' DC B 6 9.413 1.696 8.428 1.00 0.00 C ATOM 417 C4' DC B 6 8.062 2.363 8.668 1.00 0.00 C ATOM 418 O4' DC B 6 7.837 2.413 10.059 1.00 0.00 O ATOM 419 C3' DC B 6 7.902 3.790 8.137 1.00 0.00 C ATOM 420 O3' DC B 6 7.216 3.819 6.896 1.00 0.00 O ATOM 421 C2' DC B 6 7.162 4.494 9.271 1.00 0.00 C ATOM 422 C1' DC B 6 6.853 3.391 10.267 1.00 0.00 C ATOM 423 N1 DC B 6 6.867 3.870 11.672 1.00 0.00 N ATOM 424 C2 DC B 6 5.680 3.852 12.401 1.00 0.00 C ATOM 425 O2 DC B 6 4.596 3.652 11.859 1.00 0.00 O ATOM 426 N3 DC B 6 5.741 4.063 13.743 1.00 0.00 N ATOM 427 C4 DC B 6 6.903 4.317 14.360 1.00 0.00 C ATOM 428 N4 DC B 6 6.896 4.453 15.689 1.00 0.00 N ATOM 429 C5 DC B 6 8.133 4.397 13.620 1.00 0.00 C ATOM 430 C6 DC B 6 8.056 4.174 12.288 1.00 0.00 C ATOM 0 H5' DC B 6 9.444 0.726 8.925 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.555 1.513 7.363 1.00 0.00 H new ATOM 0 H4' DC B 6 7.348 1.754 8.114 1.00 0.00 H new ATOM 0 H3' DC B 6 8.846 4.282 7.902 1.00 0.00 H new ATOM 0 H2' DC B 6 7.776 5.274 9.721 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.250 4.972 8.913 1.00 0.00 H new ATOM 0 H1' DC B 6 5.846 3.003 10.111 1.00 0.00 H new ATOM 0 H41 DC B 6 7.765 4.647 16.186 1.00 0.00 H new ATOM 0 H42 DC B 6 6.021 4.363 16.206 1.00 0.00 H new ATOM 0 H5 DC B 6 9.072 4.624 14.103 1.00 0.00 H new ATOM 0 H6 DC B 6 8.955 4.237 11.692 1.00 0.00 H new ATOM 442 P DG B 7 6.872 5.206 6.133 1.00 0.00 P ATOM 443 OP1 DG B 7 6.580 4.891 4.717 1.00 0.00 O ATOM 444 OP2 DG B 7 7.917 6.200 6.465 1.00 0.00 O ATOM 445 O5' DG B 7 5.495 5.666 6.841 1.00 0.00 O ATOM 446 C5' DG B 7 4.331 4.872 6.733 1.00 0.00 C ATOM 447 C4' DG B 7 3.143 5.433 7.517 1.00 0.00 C ATOM 448 O4' DG B 7 3.381 5.354 8.914 1.00 0.00 O ATOM 449 C3' DG B 7 2.865 6.898 7.150 1.00 0.00 C ATOM 450 O3' DG B 7 1.488 7.074 6.862 1.00 0.00 O ATOM 451 C2' DG B 7 3.329 7.601 8.416 1.00 0.00 C ATOM 452 C1' DG B 7 2.980 6.579 9.488 1.00 0.00 C ATOM 453 N9 DG B 7 3.716 6.830 10.746 1.00 0.00 N ATOM 454 C8 DG B 7 5.044 7.129 10.896 1.00 0.00 C ATOM 455 N7 DG B 7 5.453 7.159 12.133 1.00 0.00 N ATOM 456 C5 DG B 7 4.299 6.905 12.866 1.00 0.00 C ATOM 457 C6 DG B 7 4.105 6.848 14.279 1.00 0.00 C ATOM 458 O6 DG B 7 4.957 6.912 15.159 1.00 0.00 O ATOM 459 N1 DG B 7 2.765 6.703 14.627 1.00 0.00 N ATOM 460 C2 DG B 7 1.729 6.596 13.717 1.00 0.00 C ATOM 461 N2 DG B 7 0.490 6.497 14.208 1.00 0.00 N ATOM 462 N3 DG B 7 1.917 6.593 12.388 1.00 0.00 N ATOM 463 C4 DG B 7 3.219 6.756 12.027 1.00 0.00 C ATOM 0 H5' DG B 7 4.551 3.866 7.090 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.055 4.784 5.682 1.00 0.00 H new ATOM 0 H4' DG B 7 2.275 4.829 7.252 1.00 0.00 H new ATOM 0 H3' DG B 7 3.364 7.276 6.257 1.00 0.00 H new ATOM 0 H2' DG B 7 4.396 7.821 8.393 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.812 8.548 8.570 1.00 0.00 H new ATOM 0 H1' DG B 7 1.925 6.607 9.760 1.00 0.00 H new ATOM 0 H8 DG B 7 5.698 7.324 10.059 1.00 0.00 H new ATOM 0 H1 DG B 7 2.532 6.674 15.619 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.305 6.416 13.574 1.00 0.00 H new ATOM 0 H22 DG B 7 0.339 6.502 15.217 1.00 0.00 H new ATOM 475 P DC B 8 0.868 8.514 6.474 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.368 8.293 5.691 1.00 0.00 O ATOM 477 OP2 DC B 8 1.947 9.367 5.927 1.00 0.00 O ATOM 478 O5' DC B 8 0.457 9.084 7.923 1.00 0.00 O ATOM 479 C5' DC B 8 -0.651 8.552 8.619 1.00 0.00 C ATOM 480 C4' DC B 8 -0.744 9.118 10.036 1.00 0.00 C ATOM 481 O4' DC B 8 0.409 8.775 10.769 1.00 0.00 O ATOM 482 C3' DC B 8 -0.819 10.643 10.113 1.00 0.00 C ATOM 483 O3' DC B 8 -2.136 11.125 9.953 1.00 0.00 O ATOM 484 C2' DC B 8 -0.276 10.922 11.513 1.00 0.00 C ATOM 485 C1' DC B 8 0.449 9.626 11.896 1.00 0.00 C ATOM 486 N1 DC B 8 1.856 9.883 12.303 1.00 0.00 N ATOM 487 C2 DC B 8 2.183 9.880 13.660 1.00 0.00 C ATOM 488 O2 DC B 8 1.324 9.747 14.528 1.00 0.00 O ATOM 489 N3 DC B 8 3.491 10.027 14.012 1.00 0.00 N ATOM 490 C4 DC B 8 4.449 10.188 13.087 1.00 0.00 C ATOM 491 N4 DC B 8 5.719 10.273 13.495 1.00 0.00 N ATOM 492 C5 DC B 8 4.130 10.236 11.687 1.00 0.00 C ATOM 493 C6 DC B 8 2.828 10.078 11.351 1.00 0.00 C ATOM 0 H5' DC B 8 -0.567 7.466 8.664 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.568 8.778 8.074 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.666 8.692 10.432 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.262 11.142 9.320 1.00 0.00 H new ATOM 0 H2' DC B 8 0.403 11.775 11.515 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.079 11.152 12.214 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.136 12.103 10.011 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.044 9.166 12.753 1.00 0.00 H new ATOM 0 H41 DC B 8 6.467 10.396 12.812 1.00 0.00 H new ATOM 0 H42 DC B 8 5.940 10.215 14.489 1.00 0.00 H new ATOM 0 H5 DC B 8 4.893 10.391 10.938 1.00 0.00 H new ATOM 0 H6 DC B 8 2.546 10.106 10.309 1.00 0.00 H new TER 506 DC B 8