USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 180 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 Set 1.1: A 4 DT C7 :methyl -30:sc= -2.7! (180deg=-5.04!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.48 (180deg=-0.247) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -2.39! (180deg=-5.37!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.507 (180deg=-0.418) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.879 2.917 -9.988 1.00 0.00 P ATOM 2 OP1 DC A 1 6.514 4.250 -9.910 1.00 0.00 O ATOM 3 OP2 DC A 1 5.166 2.514 -11.220 1.00 0.00 O ATOM 4 O5' DC A 1 7.006 1.809 -9.657 1.00 0.00 O ATOM 5 C5' DC A 1 6.918 0.468 -10.102 1.00 0.00 C ATOM 6 C4' DC A 1 8.258 -0.237 -9.850 1.00 0.00 C ATOM 7 O4' DC A 1 9.294 0.556 -10.407 1.00 0.00 O ATOM 8 C3' DC A 1 8.564 -0.435 -8.360 1.00 0.00 C ATOM 9 O3' DC A 1 9.029 -1.748 -8.102 1.00 0.00 O ATOM 10 C2' DC A 1 9.728 0.496 -8.073 1.00 0.00 C ATOM 11 C1' DC A 1 10.329 0.731 -9.459 1.00 0.00 C ATOM 12 N1 DC A 1 10.860 2.113 -9.575 1.00 0.00 N ATOM 13 C2 DC A 1 12.184 2.314 -9.970 1.00 0.00 C ATOM 14 O2 DC A 1 12.928 1.367 -10.212 1.00 0.00 O ATOM 15 N3 DC A 1 12.641 3.593 -10.083 1.00 0.00 N ATOM 16 C4 DC A 1 11.841 4.637 -9.829 1.00 0.00 C ATOM 17 N4 DC A 1 12.345 5.866 -9.948 1.00 0.00 N ATOM 18 C5 DC A 1 10.476 4.457 -9.430 1.00 0.00 C ATOM 19 C6 DC A 1 10.036 3.182 -9.322 1.00 0.00 C ATOM 0 H5' DC A 1 6.673 0.440 -11.164 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.116 -0.050 -9.576 1.00 0.00 H new ATOM 0 H4' DC A 1 8.195 -1.223 -10.310 1.00 0.00 H new ATOM 0 H3' DC A 1 7.671 -0.251 -7.762 1.00 0.00 H new ATOM 0 H2' DC A 1 9.396 1.427 -7.614 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.449 0.043 -7.392 1.00 0.00 H new ATOM 0 H1' DC A 1 11.149 0.033 -9.628 1.00 0.00 H new ATOM 0 H41 DC A 1 11.758 6.678 -9.761 1.00 0.00 H new ATOM 0 H42 DC A 1 13.318 5.993 -10.227 1.00 0.00 H new ATOM 0 H5 DC A 1 9.830 5.298 -9.226 1.00 0.00 H new ATOM 0 H6 DC A 1 9.012 3.001 -9.030 1.00 0.00 H new ATOM 31 P DC A 2 8.043 -2.956 -7.692 1.00 0.00 P ATOM 32 OP1 DC A 2 8.789 -4.222 -7.863 1.00 0.00 O ATOM 33 OP2 DC A 2 6.756 -2.760 -8.395 1.00 0.00 O ATOM 34 O5' DC A 2 7.785 -2.747 -6.110 1.00 0.00 O ATOM 35 C5' DC A 2 8.593 -1.900 -5.314 1.00 0.00 C ATOM 36 C4' DC A 2 8.095 -1.744 -3.869 1.00 0.00 C ATOM 37 O4' DC A 2 7.021 -0.850 -3.668 1.00 0.00 O ATOM 38 C3' DC A 2 7.817 -3.030 -3.096 1.00 0.00 C ATOM 39 O3' DC A 2 8.470 -2.924 -1.840 1.00 0.00 O ATOM 40 C2' DC A 2 6.302 -2.999 -2.992 1.00 0.00 C ATOM 41 C1' DC A 2 5.968 -1.508 -2.990 1.00 0.00 C ATOM 42 N1 DC A 2 4.774 -1.266 -3.804 1.00 0.00 N ATOM 43 C2 DC A 2 3.676 -0.648 -3.241 1.00 0.00 C ATOM 44 O2 DC A 2 3.628 -0.460 -2.034 1.00 0.00 O ATOM 45 N3 DC A 2 2.660 -0.257 -4.054 1.00 0.00 N ATOM 46 C4 DC A 2 2.710 -0.503 -5.368 1.00 0.00 C ATOM 47 N4 DC A 2 1.735 -0.004 -6.124 1.00 0.00 N ATOM 48 C5 DC A 2 3.846 -1.147 -5.971 1.00 0.00 C ATOM 49 C6 DC A 2 4.857 -1.484 -5.142 1.00 0.00 C ATOM 0 H5' DC A 2 8.640 -0.916 -5.780 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.609 -2.294 -5.297 1.00 0.00 H new ATOM 0 H4' DC A 2 8.993 -1.293 -3.446 1.00 0.00 H new ATOM 0 H3' DC A 2 8.170 -3.961 -3.539 1.00 0.00 H new ATOM 0 H2' DC A 2 5.833 -3.513 -3.831 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.953 -3.488 -2.083 1.00 0.00 H new ATOM 0 H1' DC A 2 5.822 -1.166 -1.965 1.00 0.00 H new ATOM 0 H41 DC A 2 1.735 -0.168 -7.131 1.00 0.00 H new ATOM 0 H42 DC A 2 0.987 0.543 -5.697 1.00 0.00 H new ATOM 0 H5 DC A 2 3.888 -1.350 -7.031 1.00 0.00 H new ATOM 0 H6 DC A 2 5.749 -1.936 -5.551 1.00 0.00 H new ATOM 61 P DG A 3 8.447 -4.098 -0.732 1.00 0.00 P ATOM 62 OP1 DG A 3 9.555 -3.853 0.218 1.00 0.00 O ATOM 63 OP2 DG A 3 8.357 -5.397 -1.434 1.00 0.00 O ATOM 64 O5' DG A 3 7.055 -3.844 0.036 1.00 0.00 O ATOM 65 C5' DG A 3 6.837 -2.700 0.845 1.00 0.00 C ATOM 66 C4' DG A 3 5.355 -2.630 1.231 1.00 0.00 C ATOM 67 O4' DG A 3 4.647 -2.485 0.024 1.00 0.00 O ATOM 68 C3' DG A 3 4.839 -3.920 1.872 1.00 0.00 C ATOM 69 O3' DG A 3 4.617 -3.777 3.257 1.00 0.00 O ATOM 70 C2' DG A 3 3.463 -4.057 1.242 1.00 0.00 C ATOM 71 C1' DG A 3 3.333 -2.892 0.277 1.00 0.00 C ATOM 72 N9 DG A 3 2.719 -3.288 -1.005 1.00 0.00 N ATOM 73 C8 DG A 3 3.254 -4.139 -1.929 1.00 0.00 C ATOM 74 N7 DG A 3 2.681 -4.091 -3.098 1.00 0.00 N ATOM 75 C5 DG A 3 1.632 -3.193 -2.911 1.00 0.00 C ATOM 76 C6 DG A 3 0.634 -2.730 -3.822 1.00 0.00 C ATOM 77 O6 DG A 3 0.556 -2.942 -5.028 1.00 0.00 O ATOM 78 N1 DG A 3 -0.338 -1.951 -3.202 1.00 0.00 N ATOM 79 C2 DG A 3 -0.311 -1.606 -1.871 1.00 0.00 C ATOM 80 N2 DG A 3 -1.374 -0.939 -1.428 1.00 0.00 N ATOM 81 N3 DG A 3 0.667 -1.965 -1.029 1.00 0.00 N ATOM 82 C4 DG A 3 1.603 -2.760 -1.606 1.00 0.00 C ATOM 0 H5' DG A 3 7.128 -1.798 0.306 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.456 -2.750 1.741 1.00 0.00 H new ATOM 0 H4' DG A 3 5.224 -1.817 1.946 1.00 0.00 H new ATOM 0 H3' DG A 3 5.539 -4.744 1.729 1.00 0.00 H new ATOM 0 H2' DG A 3 3.364 -5.009 0.721 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.681 -4.026 2.000 1.00 0.00 H new ATOM 0 H1' DG A 3 2.699 -2.117 0.708 1.00 0.00 H new ATOM 0 H8 DG A 3 4.082 -4.796 -1.709 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.117 -1.616 -3.769 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.424 -0.650 -0.451 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.139 -0.717 -2.065 1.00 0.00 H new ATOM 94 P DT A 4 5.664 -4.355 4.331 1.00 0.00 P ATOM 95 OP1 DT A 4 6.849 -3.471 4.375 1.00 0.00 O ATOM 96 OP2 DT A 4 5.823 -5.806 4.094 1.00 0.00 O ATOM 97 O5' DT A 4 4.814 -4.159 5.677 1.00 0.00 O ATOM 98 C5' DT A 4 4.645 -2.881 6.249 1.00 0.00 C ATOM 99 C4' DT A 4 3.416 -2.866 7.160 1.00 0.00 C ATOM 100 O4' DT A 4 2.248 -2.908 6.358 1.00 0.00 O ATOM 101 C3' DT A 4 3.359 -4.069 8.105 1.00 0.00 C ATOM 102 O3' DT A 4 2.917 -3.618 9.373 1.00 0.00 O ATOM 103 C2' DT A 4 2.286 -4.936 7.468 1.00 0.00 C ATOM 104 C1' DT A 4 1.369 -3.858 6.920 1.00 0.00 C ATOM 105 N1 DT A 4 0.438 -4.430 5.927 1.00 0.00 N ATOM 106 C2 DT A 4 -0.841 -4.790 6.346 1.00 0.00 C ATOM 107 O2 DT A 4 -1.222 -4.692 7.509 1.00 0.00 O ATOM 108 N3 DT A 4 -1.691 -5.277 5.366 1.00 0.00 N ATOM 109 C4 DT A 4 -1.370 -5.444 4.029 1.00 0.00 C ATOM 110 O4 DT A 4 -2.227 -5.850 3.247 1.00 0.00 O ATOM 111 C5 DT A 4 0.003 -5.102 3.688 1.00 0.00 C ATOM 112 C7 DT A 4 0.460 -5.225 2.250 1.00 0.00 C ATOM 113 C6 DT A 4 0.850 -4.616 4.634 1.00 0.00 C ATOM 0 H5' DT A 4 4.532 -2.135 5.462 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.533 -2.610 6.820 1.00 0.00 H new ATOM 0 H4' DT A 4 3.480 -1.957 7.759 1.00 0.00 H new ATOM 0 H3' DT A 4 4.309 -4.586 8.242 1.00 0.00 H new ATOM 0 H2' DT A 4 2.683 -5.583 6.686 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.786 -5.580 8.192 1.00 0.00 H new ATOM 0 H1' DT A 4 0.731 -3.404 7.679 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.635 -5.535 5.654 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.099 -6.020 1.757 1.00 0.00 H new ATOM 0 H72 DT A 4 0.285 -4.283 1.731 1.00 0.00 H new ATOM 0 H73 DT A 4 1.524 -5.460 2.225 1.00 0.00 H new ATOM 0 H6 DT A 4 1.866 -4.372 4.361 1.00 0.00 H new ATOM 126 P DC A 5 3.574 -4.165 10.731 1.00 0.00 P ATOM 127 OP1 DC A 5 3.724 -5.633 10.616 1.00 0.00 O ATOM 128 OP2 DC A 5 2.839 -3.584 11.876 1.00 0.00 O ATOM 129 O5' DC A 5 5.041 -3.502 10.665 1.00 0.00 O ATOM 130 C5' DC A 5 5.300 -2.175 11.079 1.00 0.00 C ATOM 131 C4' DC A 5 6.794 -1.867 10.913 1.00 0.00 C ATOM 132 O4' DC A 5 7.547 -2.954 11.428 1.00 0.00 O ATOM 133 C3' DC A 5 7.218 -1.643 9.455 1.00 0.00 C ATOM 134 O3' DC A 5 8.099 -0.539 9.359 1.00 0.00 O ATOM 135 C2' DC A 5 8.026 -2.876 9.088 1.00 0.00 C ATOM 136 C1' DC A 5 8.445 -3.441 10.447 1.00 0.00 C ATOM 137 N1 DC A 5 8.430 -4.929 10.470 1.00 0.00 N ATOM 138 C2 DC A 5 9.506 -5.612 11.045 1.00 0.00 C ATOM 139 O2 DC A 5 10.484 -5.009 11.480 1.00 0.00 O ATOM 140 N3 DC A 5 9.453 -6.972 11.116 1.00 0.00 N ATOM 141 C4 DC A 5 8.392 -7.646 10.662 1.00 0.00 C ATOM 142 N4 DC A 5 8.393 -8.977 10.759 1.00 0.00 N ATOM 143 C5 DC A 5 7.266 -6.971 10.085 1.00 0.00 C ATOM 144 C6 DC A 5 7.332 -5.622 10.018 1.00 0.00 C ATOM 0 H5' DC A 5 5.005 -2.044 12.120 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.707 -1.477 10.489 1.00 0.00 H new ATOM 0 H4' DC A 5 6.982 -0.940 11.454 1.00 0.00 H new ATOM 0 H3' DC A 5 6.349 -1.467 8.821 1.00 0.00 H new ATOM 0 H2' DC A 5 7.431 -3.592 8.521 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.890 -2.622 8.474 1.00 0.00 H new ATOM 0 H1' DC A 5 9.468 -3.122 10.648 1.00 0.00 H new ATOM 0 H41 DC A 5 7.595 -9.514 10.420 1.00 0.00 H new ATOM 0 H42 DC A 5 9.192 -9.458 11.173 1.00 0.00 H new ATOM 0 H5 DC A 5 6.406 -7.514 9.721 1.00 0.00 H new ATOM 0 H6 DC A 5 6.501 -5.075 9.599 1.00 0.00 H new ATOM 156 P DC A 6 7.590 0.948 9.006 1.00 0.00 P ATOM 157 OP1 DC A 6 8.730 1.873 9.190 1.00 0.00 O ATOM 158 OP2 DC A 6 6.322 1.190 9.726 1.00 0.00 O ATOM 159 O5' DC A 6 7.267 0.863 7.427 1.00 0.00 O ATOM 160 C5' DC A 6 8.092 0.139 6.537 1.00 0.00 C ATOM 161 C4' DC A 6 7.636 0.196 5.071 1.00 0.00 C ATOM 162 O4' DC A 6 6.421 -0.444 4.754 1.00 0.00 O ATOM 163 C3' DC A 6 7.700 1.552 4.369 1.00 0.00 C ATOM 164 O3' DC A 6 8.492 1.390 3.200 1.00 0.00 O ATOM 165 C2' DC A 6 6.234 1.815 4.072 1.00 0.00 C ATOM 166 C1' DC A 6 5.623 0.420 3.965 1.00 0.00 C ATOM 167 N1 DC A 6 4.308 0.420 4.610 1.00 0.00 N ATOM 168 C2 DC A 6 3.187 0.077 3.880 1.00 0.00 C ATOM 169 O2 DC A 6 3.258 -0.055 2.667 1.00 0.00 O ATOM 170 N3 DC A 6 2.016 -0.114 4.542 1.00 0.00 N ATOM 171 C4 DC A 6 1.947 0.068 5.866 1.00 0.00 C ATOM 172 N4 DC A 6 0.806 -0.255 6.471 1.00 0.00 N ATOM 173 C5 DC A 6 3.104 0.439 6.639 1.00 0.00 C ATOM 174 C6 DC A 6 4.262 0.579 5.957 1.00 0.00 C ATOM 0 H5' DC A 6 8.125 -0.903 6.856 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.109 0.526 6.605 1.00 0.00 H new ATOM 0 H4' DC A 6 8.440 -0.412 4.656 1.00 0.00 H new ATOM 0 H3' DC A 6 8.148 2.376 4.925 1.00 0.00 H new ATOM 0 H2' DC A 6 5.764 2.397 4.865 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.109 2.378 3.147 1.00 0.00 H new ATOM 0 H1' DC A 6 5.558 0.122 2.918 1.00 0.00 H new ATOM 0 H41 DC A 6 0.711 -0.132 7.479 1.00 0.00 H new ATOM 0 H42 DC A 6 0.027 -0.625 5.926 1.00 0.00 H new ATOM 0 H5 DC A 6 3.049 0.597 7.706 1.00 0.00 H new ATOM 0 H6 DC A 6 5.167 0.822 6.493 1.00 0.00 H new ATOM 186 P DG A 7 8.818 2.593 2.177 1.00 0.00 P ATOM 187 OP1 DG A 7 10.031 2.232 1.412 1.00 0.00 O ATOM 188 OP2 DG A 7 8.776 3.868 2.929 1.00 0.00 O ATOM 189 O5' DG A 7 7.560 2.560 1.174 1.00 0.00 O ATOM 190 C5' DG A 7 7.315 1.468 0.302 1.00 0.00 C ATOM 191 C4' DG A 7 5.926 1.640 -0.321 1.00 0.00 C ATOM 192 O4' DG A 7 5.031 1.666 0.763 1.00 0.00 O ATOM 193 C3' DG A 7 5.767 2.978 -1.046 1.00 0.00 C ATOM 194 O3' DG A 7 5.724 2.822 -2.449 1.00 0.00 O ATOM 195 C2' DG A 7 4.365 3.395 -0.631 1.00 0.00 C ATOM 196 C1' DG A 7 3.876 2.312 0.316 1.00 0.00 C ATOM 197 N9 DG A 7 3.182 2.863 1.492 1.00 0.00 N ATOM 198 C8 DG A 7 3.750 3.598 2.491 1.00 0.00 C ATOM 199 N7 DG A 7 3.024 3.688 3.570 1.00 0.00 N ATOM 200 C5 DG A 7 1.853 3.016 3.231 1.00 0.00 C ATOM 201 C6 DG A 7 0.677 2.758 3.999 1.00 0.00 C ATOM 202 O6 DG A 7 0.487 2.997 5.186 1.00 0.00 O ATOM 203 N1 DG A 7 -0.332 2.163 3.249 1.00 0.00 N ATOM 204 C2 DG A 7 -0.198 1.797 1.931 1.00 0.00 C ATOM 205 N2 DG A 7 -1.300 1.320 1.356 1.00 0.00 N ATOM 206 N3 DG A 7 0.929 1.960 1.228 1.00 0.00 N ATOM 207 C4 DG A 7 1.912 2.578 1.929 1.00 0.00 C ATOM 0 H5' DG A 7 7.370 0.527 0.850 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.076 1.428 -0.477 1.00 0.00 H new ATOM 0 H4' DG A 7 5.756 0.840 -1.042 1.00 0.00 H new ATOM 0 H3' DG A 7 6.583 3.661 -0.809 1.00 0.00 H new ATOM 0 H2' DG A 7 4.375 4.368 -0.140 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.710 3.482 -1.498 1.00 0.00 H new ATOM 0 H1' DG A 7 3.170 1.661 -0.200 1.00 0.00 H new ATOM 0 H8 DG A 7 4.719 4.066 2.396 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.227 1.987 3.706 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.280 1.027 0.379 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.165 1.247 1.892 1.00 0.00 H new ATOM 219 P DT A 8 7.004 3.148 -3.365 1.00 0.00 P ATOM 220 OP1 DT A 8 7.987 2.052 -3.229 1.00 0.00 O ATOM 221 OP2 DT A 8 7.411 4.549 -3.114 1.00 0.00 O ATOM 222 O5' DT A 8 6.336 3.077 -4.823 1.00 0.00 O ATOM 223 C5' DT A 8 6.027 1.838 -5.424 1.00 0.00 C ATOM 224 C4' DT A 8 4.933 2.019 -6.478 1.00 0.00 C ATOM 225 O4' DT A 8 3.707 2.306 -5.825 1.00 0.00 O ATOM 226 C3' DT A 8 5.215 3.177 -7.440 1.00 0.00 C ATOM 227 O3' DT A 8 4.859 2.776 -8.751 1.00 0.00 O ATOM 228 C2' DT A 8 4.240 4.242 -6.963 1.00 0.00 C ATOM 229 C1' DT A 8 3.083 3.365 -6.518 1.00 0.00 C ATOM 230 N1 DT A 8 2.145 4.132 -5.673 1.00 0.00 N ATOM 231 C2 DT A 8 1.016 4.691 -6.270 1.00 0.00 C ATOM 232 O2 DT A 8 0.786 4.618 -7.474 1.00 0.00 O ATOM 233 N3 DT A 8 0.141 5.350 -5.422 1.00 0.00 N ATOM 234 C4 DT A 8 0.302 5.508 -4.056 1.00 0.00 C ATOM 235 O4 DT A 8 -0.572 6.074 -3.403 1.00 0.00 O ATOM 236 C5 DT A 8 1.542 4.961 -3.525 1.00 0.00 C ATOM 237 C7 DT A 8 1.826 5.077 -2.040 1.00 0.00 C ATOM 238 C6 DT A 8 2.409 4.302 -4.340 1.00 0.00 C ATOM 0 H5' DT A 8 5.696 1.130 -4.664 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.920 1.417 -5.885 1.00 0.00 H new ATOM 0 H4' DT A 8 4.895 1.093 -7.052 1.00 0.00 H new ATOM 0 H3' DT A 8 6.255 3.504 -7.456 1.00 0.00 H new ATOM 0 H2' DT A 8 4.645 4.842 -6.148 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.957 4.933 -7.757 1.00 0.00 H new ATOM 0 H1' DT A 8 2.474 2.994 -7.342 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.696 5.755 -5.841 1.00 0.00 H new ATOM 0 H71 DT A 8 1.352 5.977 -1.648 1.00 0.00 H new ATOM 0 H72 DT A 8 1.428 4.203 -1.524 1.00 0.00 H new ATOM 0 H73 DT A 8 2.902 5.135 -1.879 1.00 0.00 H new ATOM 0 H6 DT A 8 3.325 3.905 -3.927 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.580 -4.674 -9.583 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.686 -5.653 -9.622 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.660 -4.567 -10.737 1.00 0.00 O ATOM 255 O5' DC B 1 -5.192 -3.204 -9.295 1.00 0.00 O ATOM 256 C5' DC B 1 -5.777 -2.421 -10.324 1.00 0.00 C ATOM 257 C4' DC B 1 -7.305 -2.336 -10.212 1.00 0.00 C ATOM 258 O4' DC B 1 -7.866 -3.634 -10.273 1.00 0.00 O ATOM 259 C3' DC B 1 -7.788 -1.703 -8.899 1.00 0.00 C ATOM 260 O3' DC B 1 -8.529 -0.520 -9.136 1.00 0.00 O ATOM 261 C2' DC B 1 -8.774 -2.712 -8.331 1.00 0.00 C ATOM 262 C1' DC B 1 -9.059 -3.629 -9.518 1.00 0.00 C ATOM 263 N1 DC B 1 -9.368 -5.005 -9.060 1.00 0.00 N ATOM 264 C2 DC B 1 -10.566 -5.614 -9.438 1.00 0.00 C ATOM 265 O2 DC B 1 -11.381 -5.031 -10.149 1.00 0.00 O ATOM 266 N3 DC B 1 -10.819 -6.879 -8.997 1.00 0.00 N ATOM 267 C4 DC B 1 -9.939 -7.527 -8.221 1.00 0.00 C ATOM 268 N4 DC B 1 -10.243 -8.760 -7.813 1.00 0.00 N ATOM 269 C5 DC B 1 -8.701 -6.923 -7.824 1.00 0.00 C ATOM 270 C6 DC B 1 -8.464 -5.668 -8.272 1.00 0.00 C ATOM 0 H5' DC B 1 -5.511 -2.845 -11.292 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.358 -1.415 -10.291 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.625 -1.707 -11.042 1.00 0.00 H new ATOM 0 H3' DC B 1 -6.940 -1.465 -8.257 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.349 -3.261 -7.491 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.681 -2.228 -7.969 1.00 0.00 H new ATOM 0 H1' DC B 1 -9.918 -3.284 -10.093 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.592 -9.277 -7.222 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.127 -9.186 -8.092 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.992 -7.444 -7.198 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.540 -5.177 -8.002 1.00 0.00 H new ATOM 282 P DC B 2 -7.863 0.945 -9.039 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.909 1.942 -9.356 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.598 0.936 -9.807 1.00 0.00 O ATOM 285 O5' DC B 2 -7.502 1.079 -7.472 1.00 0.00 O ATOM 286 C5' DC B 2 -8.411 0.674 -6.469 1.00 0.00 C ATOM 287 C4' DC B 2 -7.883 0.851 -5.039 1.00 0.00 C ATOM 288 O4' DC B 2 -6.796 0.042 -4.652 1.00 0.00 O ATOM 289 C3' DC B 2 -7.654 2.284 -4.556 1.00 0.00 C ATOM 290 O3' DC B 2 -8.417 2.444 -3.371 1.00 0.00 O ATOM 291 C2' DC B 2 -6.154 2.300 -4.324 1.00 0.00 C ATOM 292 C1' DC B 2 -5.825 0.846 -4.008 1.00 0.00 C ATOM 293 N1 DC B 2 -4.556 0.509 -4.648 1.00 0.00 N ATOM 294 C2 DC B 2 -3.471 0.164 -3.869 1.00 0.00 C ATOM 295 O2 DC B 2 -3.511 0.315 -2.656 1.00 0.00 O ATOM 296 N3 DC B 2 -2.375 -0.350 -4.482 1.00 0.00 N ATOM 297 C4 DC B 2 -2.331 -0.459 -5.814 1.00 0.00 C ATOM 298 N4 DC B 2 -1.285 -1.091 -6.340 1.00 0.00 N ATOM 299 C5 DC B 2 -3.430 -0.041 -6.646 1.00 0.00 C ATOM 300 C6 DC B 2 -4.526 0.420 -6.003 1.00 0.00 C ATOM 0 H5' DC B 2 -8.664 -0.375 -6.625 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.334 1.244 -6.578 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.763 0.474 -4.518 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.953 3.092 -5.224 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.616 2.651 -5.205 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.883 2.961 -3.501 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.793 0.694 -2.929 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.210 -1.198 -7.352 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.559 -1.469 -5.732 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.381 -0.093 -7.724 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.391 0.722 -6.575 1.00 0.00 H new ATOM 312 P DG B 3 -8.438 3.804 -2.511 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.635 3.782 -1.642 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.218 4.943 -3.430 1.00 0.00 O ATOM 315 O5' DG B 3 -7.134 3.647 -1.583 1.00 0.00 O ATOM 316 C5' DG B 3 -7.016 2.624 -0.608 1.00 0.00 C ATOM 317 C4' DG B 3 -5.624 2.708 0.025 1.00 0.00 C ATOM 318 O4' DG B 3 -4.686 2.438 -0.983 1.00 0.00 O ATOM 319 C3' DG B 3 -5.328 4.122 0.526 1.00 0.00 C ATOM 320 O3' DG B 3 -5.302 4.149 1.933 1.00 0.00 O ATOM 321 C2' DG B 3 -3.911 4.365 0.055 1.00 0.00 C ATOM 322 C1' DG B 3 -3.486 3.069 -0.618 1.00 0.00 C ATOM 323 N9 DG B 3 -2.743 3.283 -1.872 1.00 0.00 N ATOM 324 C8 DG B 3 -3.248 3.826 -3.017 1.00 0.00 C ATOM 325 N7 DG B 3 -2.558 3.556 -4.091 1.00 0.00 N ATOM 326 C5 DG B 3 -1.480 2.818 -3.609 1.00 0.00 C ATOM 327 C6 DG B 3 -0.399 2.186 -4.301 1.00 0.00 C ATOM 328 O6 DG B 3 -0.234 2.079 -5.512 1.00 0.00 O ATOM 329 N1 DG B 3 0.538 1.633 -3.435 1.00 0.00 N ATOM 330 C2 DG B 3 0.397 1.611 -2.073 1.00 0.00 C ATOM 331 N2 DG B 3 1.401 1.035 -1.429 1.00 0.00 N ATOM 332 N3 DG B 3 -0.655 2.112 -1.414 1.00 0.00 N ATOM 333 C4 DG B 3 -1.551 2.710 -2.239 1.00 0.00 C ATOM 0 H5' DG B 3 -7.164 1.646 -1.066 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.786 2.739 0.155 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.575 2.006 0.858 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.066 4.844 0.176 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.866 5.203 -0.641 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.255 4.608 0.891 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.844 2.511 0.063 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.144 4.429 -3.033 1.00 0.00 H new ATOM 0 H1 DG B 3 1.379 1.220 -3.838 1.00 0.00 H new ATOM 0 H21 DG B 3 1.385 0.972 -0.411 1.00 0.00 H new ATOM 0 H22 DG B 3 2.191 0.655 -1.951 1.00 0.00 H new ATOM 345 P DT B 4 -6.413 4.944 2.773 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.597 4.079 2.966 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.563 6.302 2.203 1.00 0.00 O ATOM 348 O5' DT B 4 -5.614 5.071 4.152 1.00 0.00 O ATOM 349 C5' DT B 4 -5.368 3.942 4.964 1.00 0.00 C ATOM 350 C4' DT B 4 -4.156 4.204 5.858 1.00 0.00 C ATOM 351 O4' DT B 4 -2.963 4.113 5.094 1.00 0.00 O ATOM 352 C3' DT B 4 -4.183 5.606 6.475 1.00 0.00 C ATOM 353 O3' DT B 4 -3.853 5.510 7.849 1.00 0.00 O ATOM 354 C2' DT B 4 -3.070 6.319 5.727 1.00 0.00 C ATOM 355 C1' DT B 4 -2.117 5.163 5.515 1.00 0.00 C ATOM 356 N1 DT B 4 -1.085 5.546 4.529 1.00 0.00 N ATOM 357 C2 DT B 4 0.110 6.070 5.016 1.00 0.00 C ATOM 358 O2 DT B 4 0.307 6.306 6.205 1.00 0.00 O ATOM 359 N3 DT B 4 1.092 6.325 4.079 1.00 0.00 N ATOM 360 C4 DT B 4 0.990 6.094 2.719 1.00 0.00 C ATOM 361 O4 DT B 4 1.950 6.340 1.995 1.00 0.00 O ATOM 362 C5 DT B 4 -0.299 5.573 2.281 1.00 0.00 C ATOM 363 C7 DT B 4 -0.433 5.157 0.822 1.00 0.00 C ATOM 364 C6 DT B 4 -1.295 5.344 3.188 1.00 0.00 C ATOM 0 H5' DT B 4 -5.189 3.066 4.341 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.243 3.725 5.576 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.189 3.456 6.650 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.147 6.109 6.402 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.411 6.756 4.788 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.625 7.125 6.310 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.550 4.864 6.397 1.00 0.00 H new ATOM 0 H3 DT B 4 1.969 6.718 4.420 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.161 4.350 0.739 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.767 6.009 0.230 1.00 0.00 H new ATOM 0 H73 DT B 4 0.533 4.814 0.451 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.260 5.000 2.845 1.00 0.00 H new ATOM 377 P DC B 5 -4.823 6.086 8.993 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.205 7.465 8.615 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.184 5.840 10.305 1.00 0.00 O ATOM 380 O5' DC B 5 -6.143 5.159 8.878 1.00 0.00 O ATOM 381 C5' DC B 5 -6.301 3.949 9.594 1.00 0.00 C ATOM 382 C4' DC B 5 -7.786 3.551 9.602 1.00 0.00 C ATOM 383 O4' DC B 5 -8.541 4.643 10.098 1.00 0.00 O ATOM 384 C3' DC B 5 -8.329 3.198 8.212 1.00 0.00 C ATOM 385 O3' DC B 5 -9.184 2.068 8.251 1.00 0.00 O ATOM 386 C2' DC B 5 -9.215 4.369 7.835 1.00 0.00 C ATOM 387 C1' DC B 5 -9.592 4.947 9.200 1.00 0.00 C ATOM 388 N1 DC B 5 -9.752 6.420 9.139 1.00 0.00 N ATOM 389 C2 DC B 5 -10.896 7.014 9.677 1.00 0.00 C ATOM 390 O2 DC B 5 -11.801 6.335 10.156 1.00 0.00 O ATOM 391 N3 DC B 5 -10.991 8.373 9.663 1.00 0.00 N ATOM 392 C4 DC B 5 -10.009 9.127 9.155 1.00 0.00 C ATOM 393 N4 DC B 5 -10.156 10.453 9.169 1.00 0.00 N ATOM 394 C5 DC B 5 -8.820 8.543 8.607 1.00 0.00 C ATOM 395 C6 DC B 5 -8.740 7.191 8.626 1.00 0.00 C ATOM 0 H5' DC B 5 -5.939 4.068 10.615 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.704 3.161 9.134 1.00 0.00 H new ATOM 0 H4' DC B 5 -7.874 2.662 10.227 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.502 2.994 7.532 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.687 5.096 7.218 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.092 4.050 7.272 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.540 4.516 9.522 1.00 0.00 H new ATOM 0 H41 DC B 5 -9.423 11.051 8.788 1.00 0.00 H new ATOM 0 H42 DC B 5 -11.001 10.868 9.560 1.00 0.00 H new ATOM 0 H5 DC B 5 -8.027 9.151 8.199 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.859 6.709 8.228 1.00 0.00 H new ATOM 407 P DC B 6 -8.651 0.548 8.162 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.793 -0.345 8.451 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.413 0.441 8.966 1.00 0.00 O ATOM 410 O5' DC B 6 -8.254 0.360 6.611 1.00 0.00 O ATOM 411 C5' DC B 6 -8.978 0.969 5.564 1.00 0.00 C ATOM 412 C4' DC B 6 -8.386 0.692 4.172 1.00 0.00 C ATOM 413 O4' DC B 6 -7.137 1.276 3.878 1.00 0.00 O ATOM 414 C3' DC B 6 -8.387 -0.760 3.689 1.00 0.00 C ATOM 415 O3' DC B 6 -9.035 -0.783 2.427 1.00 0.00 O ATOM 416 C2' DC B 6 -6.900 -1.062 3.613 1.00 0.00 C ATOM 417 C1' DC B 6 -6.265 0.297 3.341 1.00 0.00 C ATOM 418 N1 DC B 6 -5.032 0.399 4.123 1.00 0.00 N ATOM 419 C2 DC B 6 -3.823 0.562 3.478 1.00 0.00 C ATOM 420 O2 DC B 6 -3.746 0.408 2.267 1.00 0.00 O ATOM 421 N3 DC B 6 -2.739 0.904 4.221 1.00 0.00 N ATOM 422 C4 DC B 6 -2.833 1.017 5.552 1.00 0.00 C ATOM 423 N4 DC B 6 -1.779 1.496 6.206 1.00 0.00 N ATOM 424 C5 DC B 6 -4.073 0.789 6.243 1.00 0.00 C ATOM 425 C6 DC B 6 -5.142 0.503 5.471 1.00 0.00 C ATOM 0 H5' DC B 6 -9.007 2.046 5.731 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.008 0.614 5.590 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.141 1.227 3.597 1.00 0.00 H new ATOM 0 H3' DC B 6 -8.907 -1.490 4.309 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.532 -1.496 4.543 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.677 -1.774 2.818 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.080 0.425 2.274 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.811 1.597 7.220 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.938 1.762 5.693 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.145 0.844 7.319 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.105 0.354 5.936 1.00 0.00 H new ATOM 437 P DG B 7 -9.207 -2.122 1.546 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.283 -1.888 0.557 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.293 -3.278 2.465 1.00 0.00 O ATOM 440 O5' DG B 7 -7.806 -2.210 0.756 1.00 0.00 O ATOM 441 C5' DG B 7 -7.398 -1.222 -0.174 1.00 0.00 C ATOM 442 C4' DG B 7 -5.985 -1.553 -0.665 1.00 0.00 C ATOM 443 O4' DG B 7 -5.132 -1.494 0.446 1.00 0.00 O ATOM 444 C3' DG B 7 -5.903 -2.980 -1.208 1.00 0.00 C ATOM 445 O3' DG B 7 -5.731 -2.945 -2.608 1.00 0.00 O ATOM 446 C2' DG B 7 -4.634 -3.522 -0.587 1.00 0.00 C ATOM 447 C1' DG B 7 -4.050 -2.351 0.194 1.00 0.00 C ATOM 448 N9 DG B 7 -3.539 -2.718 1.525 1.00 0.00 N ATOM 449 C8 DG B 7 -4.291 -3.153 2.578 1.00 0.00 C ATOM 450 N7 DG B 7 -3.725 -3.001 3.744 1.00 0.00 N ATOM 451 C5 DG B 7 -2.477 -2.462 3.435 1.00 0.00 C ATOM 452 C6 DG B 7 -1.418 -2.013 4.285 1.00 0.00 C ATOM 453 O6 DG B 7 -1.409 -1.938 5.510 1.00 0.00 O ATOM 454 N1 DG B 7 -0.295 -1.612 3.571 1.00 0.00 N ATOM 455 C2 DG B 7 -0.241 -1.558 2.202 1.00 0.00 C ATOM 456 N2 DG B 7 0.924 -1.165 1.712 1.00 0.00 N ATOM 457 N3 DG B 7 -1.255 -1.887 1.393 1.00 0.00 N ATOM 458 C4 DG B 7 -2.338 -2.342 2.071 1.00 0.00 C ATOM 0 H5' DG B 7 -7.414 -0.237 0.292 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.091 -1.188 -1.015 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.714 -0.851 -1.453 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.793 -3.569 -0.986 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.844 -4.368 0.067 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.940 -3.874 -1.350 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.227 -1.936 -0.388 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.273 -3.587 2.456 1.00 0.00 H new ATOM 0 H1 DG B 7 0.537 -1.342 4.096 1.00 0.00 H new ATOM 0 H21 DG B 7 1.055 -1.095 0.703 1.00 0.00 H new ATOM 0 H22 DG B 7 1.690 -0.932 2.344 1.00 0.00 H new ATOM 470 P DT B 8 -6.701 -3.775 -3.587 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.782 -2.888 -4.066 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.025 -5.074 -2.956 1.00 0.00 O ATOM 473 O5' DT B 8 -5.684 -4.058 -4.787 1.00 0.00 O ATOM 474 C5' DT B 8 -5.258 -3.026 -5.648 1.00 0.00 C ATOM 475 C4' DT B 8 -4.007 -3.491 -6.390 1.00 0.00 C ATOM 476 O4' DT B 8 -2.921 -3.547 -5.478 1.00 0.00 O ATOM 477 C3' DT B 8 -4.189 -4.904 -6.964 1.00 0.00 C ATOM 478 O3' DT B 8 -3.677 -4.991 -8.282 1.00 0.00 O ATOM 479 C2' DT B 8 -3.319 -5.742 -6.044 1.00 0.00 C ATOM 480 C1' DT B 8 -2.224 -4.744 -5.738 1.00 0.00 C ATOM 481 N1 DT B 8 -1.419 -5.240 -4.604 1.00 0.00 N ATOM 482 C2 DT B 8 -0.276 -5.975 -4.905 1.00 0.00 C ATOM 483 O2 DT B 8 0.052 -6.277 -6.050 1.00 0.00 O ATOM 484 N3 DT B 8 0.496 -6.373 -3.830 1.00 0.00 N ATOM 485 C4 DT B 8 0.232 -6.088 -2.503 1.00 0.00 C ATOM 486 O4 DT B 8 1.012 -6.484 -1.638 1.00 0.00 O ATOM 487 C5 DT B 8 -0.989 -5.329 -2.268 1.00 0.00 C ATOM 488 C7 DT B 8 -1.248 -4.840 -0.853 1.00 0.00 C ATOM 489 C6 DT B 8 -1.785 -4.956 -3.312 1.00 0.00 C ATOM 0 H5' DT B 8 -5.045 -2.122 -5.077 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.047 -2.776 -6.357 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.822 -2.787 -7.201 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.234 -5.208 -7.013 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.850 -6.066 -5.149 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.940 -6.640 -6.532 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.504 -4.587 -6.541 1.00 0.00 H new ATOM 0 H3 DT B 8 1.331 -6.923 -4.033 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.821 -3.913 -0.887 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.812 -5.595 -0.305 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.298 -4.661 -0.350 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.710 -4.433 -3.120 1.00 0.00 H new TER 502 DT B 8