USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 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 180:sc= -0.041 USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.673 -11.965 -1.002 1.00 2.21 O ATOM 2 C5' DG A 1 -1.534 -12.552 -0.372 1.00 75.25 C ATOM 3 C4' DG A 1 -0.991 -11.622 0.690 1.00 15.44 C ATOM 4 O4' DG A 1 -0.874 -10.274 0.247 1.00 74.02 O ATOM 5 C3' DG A 1 -1.920 -11.417 1.883 1.00 74.22 C ATOM 6 O3' DG A 1 -1.143 -11.150 3.049 1.00 23.51 O ATOM 7 C2' DG A 1 -2.784 -10.241 1.515 1.00 25.11 C ATOM 8 C1' DG A 1 -1.761 -9.341 0.828 1.00 11.44 C ATOM 9 N9 DG A 1 -2.350 -8.456 -0.198 1.00 70.23 N ATOM 10 C8 DG A 1 -3.571 -7.881 -0.180 1.00 33.22 C ATOM 11 N7 DG A 1 -3.802 -7.137 -1.256 1.00 33.42 N ATOM 12 C5 DG A 1 -2.653 -7.254 -1.991 1.00 11.44 C ATOM 13 C6 DG A 1 -2.277 -6.702 -3.234 1.00 31.24 C ATOM 14 O6 DG A 1 -2.974 -5.961 -3.926 1.00 71.15 O ATOM 15 N1 DG A 1 -1.040 -7.013 -3.710 1.00 53.22 N ATOM 16 C2 DG A 1 -0.252 -7.826 -2.972 1.00 20.22 C ATOM 17 N2 DG A 1 0.920 -8.035 -3.569 1.00 50.00 N ATOM 18 N3 DG A 1 -0.504 -8.404 -1.784 1.00 4.34 N ATOM 19 C4 DG A 1 -1.751 -8.055 -1.363 1.00 33.44 C ATOM 0 H5' DG A 1 -0.763 -12.758 -1.115 1.00 75.25 H new ATOM 0 H5'' DG A 1 -1.808 -13.507 0.076 1.00 75.25 H new ATOM 0 H4' DG A 1 -0.051 -12.117 0.936 1.00 15.44 H new ATOM 0 H3' DG A 1 -2.529 -12.294 2.103 1.00 74.22 H new ATOM 0 H2' DG A 1 -3.601 -10.520 0.850 1.00 25.11 H new ATOM 0 H2'' DG A 1 -3.231 -9.767 2.389 1.00 25.11 H new ATOM 0 HO5' DG A 1 -3.017 -12.573 -1.689 1.00 2.21 H new ATOM 0 H1' DG A 1 -1.292 -8.648 1.526 1.00 11.44 H new ATOM 0 H8 DG A 1 -4.283 -8.012 0.622 1.00 33.22 H new ATOM 0 H1 DG A 1 -0.716 -6.641 -4.603 1.00 53.22 H new ATOM 0 H21 DG A 1 1.619 -8.631 -3.126 1.00 50.00 H new ATOM 0 H22 DG A 1 1.119 -7.599 -4.469 1.00 50.00 H new ATOM 32 P DG A 2 -1.794 -11.321 4.501 1.00 21.30 P ATOM 33 OP1 DG A 2 -1.651 -12.723 4.951 1.00 25.54 O ATOM 34 OP2 DG A 2 -3.155 -10.738 4.507 1.00 42.43 O ATOM 35 O5' DG A 2 -0.861 -10.406 5.423 1.00 32.14 O ATOM 36 C5' DG A 2 0.550 -10.400 5.223 1.00 22.23 C ATOM 37 C4' DG A 2 0.970 -9.135 4.509 1.00 13.03 C ATOM 38 O4' DG A 2 -0.046 -8.614 3.717 1.00 42.45 O ATOM 39 C3' DG A 2 1.083 -7.908 5.412 1.00 14.23 C ATOM 40 O3' DG A 2 2.328 -7.944 6.105 1.00 2.21 O ATOM 41 C2' DG A 2 1.000 -6.725 4.486 1.00 52.33 C ATOM 42 C1' DG A 2 0.447 -7.388 3.227 1.00 51.12 C ATOM 43 N9 DG A 2 -0.621 -6.607 2.569 1.00 51.34 N ATOM 44 C8 DG A 2 -1.834 -6.296 3.071 1.00 32.20 C ATOM 45 N7 DG A 2 -2.569 -5.578 2.227 1.00 33.00 N ATOM 46 C5 DG A 2 -1.763 -5.432 1.130 1.00 50.44 C ATOM 47 C6 DG A 2 -1.967 -4.773 -0.100 1.00 32.03 C ATOM 48 O6 DG A 2 -2.988 -4.168 -0.422 1.00 20.52 O ATOM 49 N1 DG A 2 -0.950 -4.810 -1.006 1.00 53.41 N ATOM 50 C2 DG A 2 0.184 -5.469 -0.678 1.00 72.52 C ATOM 51 N2 DG A 2 1.077 -5.414 -1.663 1.00 75.21 N ATOM 52 N3 DG A 2 0.484 -6.126 0.456 1.00 1.24 N ATOM 53 C4 DG A 2 -0.567 -6.054 1.318 1.00 51.22 C ATOM 0 H5' DG A 2 0.846 -11.271 4.639 1.00 22.23 H new ATOM 0 H5'' DG A 2 1.061 -10.471 6.183 1.00 22.23 H new ATOM 0 H4' DG A 2 1.887 -9.470 4.025 1.00 13.03 H new ATOM 0 H3' DG A 2 0.300 -7.864 6.169 1.00 14.23 H new ATOM 0 H2' DG A 2 0.339 -5.947 4.868 1.00 52.33 H new ATOM 0 H2'' DG A 2 1.973 -6.263 4.317 1.00 52.33 H new ATOM 0 H1' DG A 2 1.206 -7.487 2.451 1.00 51.12 H new ATOM 0 H8 DG A 2 -2.171 -6.597 4.052 1.00 32.20 H new ATOM 0 H1 DG A 2 -1.042 -4.351 -1.912 1.00 53.41 H new ATOM 0 H21 DG A 2 1.983 -5.869 -1.556 1.00 75.21 H new ATOM 0 H22 DG A 2 0.855 -4.917 -2.525 1.00 75.21 H new ATOM 65 P DC A 3 2.669 -6.821 7.192 1.00 71.22 P ATOM 66 OP1 DC A 3 2.854 -7.450 8.518 1.00 75.10 O ATOM 67 OP2 DC A 3 1.691 -5.715 7.090 1.00 61.22 O ATOM 68 O5' DC A 3 4.091 -6.270 6.706 1.00 75.21 O ATOM 69 C5' DC A 3 4.565 -6.577 5.396 1.00 51.12 C ATOM 70 C4' DC A 3 5.033 -5.318 4.703 1.00 63.31 C ATOM 71 O4' DC A 3 4.034 -4.790 3.895 1.00 62.20 O ATOM 72 C3' DC A 3 5.371 -4.167 5.647 1.00 54.24 C ATOM 73 O3' DC A 3 6.579 -3.542 5.219 1.00 65.11 O ATOM 74 C2' DC A 3 4.201 -3.227 5.562 1.00 22.02 C ATOM 75 C1' DC A 3 3.789 -3.417 4.105 1.00 43.44 C ATOM 76 N1 DC A 3 2.375 -3.082 3.844 1.00 71.04 N ATOM 77 C2 DC A 3 2.082 -2.356 2.691 1.00 63.24 C ATOM 78 O2 DC A 3 3.013 -2.029 1.946 1.00 41.22 O ATOM 79 N3 DC A 3 0.802 -2.038 2.432 1.00 62.12 N ATOM 80 C4 DC A 3 -0.178 -2.395 3.237 1.00 53.23 C ATOM 81 N4 DC A 3 -1.437 -2.072 2.965 1.00 63.41 N ATOM 82 C5 DC A 3 0.097 -3.148 4.440 1.00 63.55 C ATOM 83 C6 DC A 3 1.379 -3.456 4.685 1.00 50.33 C ATOM 0 H5' DC A 3 3.772 -7.047 4.815 1.00 51.12 H new ATOM 0 H5'' DC A 3 5.384 -7.294 5.456 1.00 51.12 H new ATOM 0 H4' DC A 3 5.918 -5.648 4.160 1.00 63.31 H new ATOM 0 H3' DC A 3 5.532 -4.493 6.675 1.00 54.24 H new ATOM 0 H2' DC A 3 3.404 -3.495 6.255 1.00 22.02 H new ATOM 0 H2'' DC A 3 4.481 -2.197 5.782 1.00 22.02 H new ATOM 0 H1' DC A 3 4.337 -2.754 3.435 1.00 43.44 H new ATOM 0 H41 DC A 3 -2.185 -2.356 3.598 1.00 63.41 H new ATOM 0 H42 DC A 3 -1.656 -1.540 2.123 1.00 63.41 H new ATOM 0 H5 DC A 3 -0.694 -3.449 5.111 1.00 63.55 H new ATOM 0 H6 DC A 3 1.625 -4.016 5.575 1.00 50.33 H new ATOM 95 P DC A 4 7.526 -2.817 6.285 1.00 24.31 P ATOM 96 OP1 DC A 4 8.677 -3.690 6.604 1.00 4.21 O ATOM 97 OP2 DC A 4 6.713 -2.317 7.417 1.00 1.35 O ATOM 98 O5' DC A 4 8.076 -1.550 5.475 1.00 41.21 O ATOM 99 C5' DC A 4 8.373 -1.667 4.085 1.00 3.04 C ATOM 100 C4' DC A 4 7.716 -0.543 3.317 1.00 53.32 C ATOM 101 O4' DC A 4 6.309 -0.667 3.405 1.00 53.31 O ATOM 102 C3' DC A 4 8.016 0.851 3.862 1.00 21.02 C ATOM 103 O3' DC A 4 8.499 1.679 2.804 1.00 63.34 O ATOM 104 C2' DC A 4 6.708 1.356 4.403 1.00 74.12 C ATOM 105 C1' DC A 4 5.722 0.610 3.506 1.00 70.43 C ATOM 106 N1 DC A 4 4.358 0.530 4.071 1.00 4.22 N ATOM 107 C2 DC A 4 3.285 0.689 3.197 1.00 31.32 C ATOM 108 O2 DC A 4 3.522 0.892 1.999 1.00 43.14 O ATOM 109 N3 DC A 4 2.036 0.621 3.686 1.00 15.34 N ATOM 110 C4 DC A 4 1.800 0.404 4.965 1.00 72.43 C ATOM 111 N4 DC A 4 0.558 0.338 5.427 1.00 62.23 N ATOM 112 C5 DC A 4 2.895 0.234 5.892 1.00 70.24 C ATOM 113 C6 DC A 4 4.136 0.307 5.389 1.00 42.12 C ATOM 0 H5' DC A 4 8.022 -2.628 3.710 1.00 3.04 H new ATOM 0 H5'' DC A 4 9.452 -1.640 3.932 1.00 3.04 H new ATOM 0 H4' DC A 4 8.112 -0.632 2.305 1.00 53.32 H new ATOM 0 H3' DC A 4 8.782 0.848 4.638 1.00 21.02 H new ATOM 0 H2' DC A 4 6.575 1.112 5.457 1.00 74.12 H new ATOM 0 H2'' DC A 4 6.613 2.438 4.312 1.00 74.12 H new ATOM 0 H1' DC A 4 5.573 1.113 2.550 1.00 70.43 H new ATOM 0 H41 DC A 4 0.391 0.169 6.419 1.00 62.23 H new ATOM 0 H42 DC A 4 -0.230 0.456 4.790 1.00 62.23 H new ATOM 0 H5 DC A 4 2.722 0.056 6.943 1.00 70.24 H new ATOM 0 H6 DC A 4 4.980 0.185 6.051 1.00 42.12 H new ATOM 125 P DG A 5 9.524 2.865 3.122 1.00 71.12 P ATOM 126 OP1 DG A 5 10.894 2.322 3.244 1.00 23.05 O ATOM 127 OP2 DG A 5 9.009 3.681 4.248 1.00 4.25 O ATOM 128 O5' DG A 5 9.461 3.758 1.796 1.00 71.24 O ATOM 129 C5' DG A 5 8.325 3.681 0.938 1.00 24.32 C ATOM 130 C4' DG A 5 7.205 4.542 1.479 1.00 64.22 C ATOM 131 O4' DG A 5 6.731 4.016 2.632 1.00 23.02 O ATOM 132 C3' DG A 5 7.657 5.892 2.029 1.00 23.40 C ATOM 133 O3' DG A 5 7.703 6.845 0.969 1.00 24.40 O ATOM 134 C2' DG A 5 6.630 6.264 3.061 1.00 74.10 C ATOM 135 C1' DG A 5 5.827 4.969 3.142 1.00 33.35 C ATOM 136 N9 DG A 5 5.401 4.623 4.514 1.00 51.34 N ATOM 137 C8 DG A 5 6.169 4.578 5.623 1.00 75.23 C ATOM 138 N7 DG A 5 5.483 4.231 6.707 1.00 2.32 N ATOM 139 C5 DG A 5 4.207 4.048 6.245 1.00 12.22 C ATOM 140 C6 DG A 5 3.018 3.674 6.905 1.00 63.22 C ATOM 141 O6 DG A 5 2.919 3.428 8.107 1.00 11.44 O ATOM 142 N1 DG A 5 1.889 3.576 6.156 1.00 1.34 N ATOM 143 C2 DG A 5 1.969 3.839 4.831 1.00 52.11 C ATOM 144 N2 DG A 5 0.785 3.701 4.238 1.00 14.12 N ATOM 145 N3 DG A 5 3.040 4.202 4.102 1.00 75.43 N ATOM 146 C4 DG A 5 4.134 4.281 4.908 1.00 74.53 C ATOM 0 H5' DG A 5 7.991 2.647 0.856 1.00 24.32 H new ATOM 0 H5'' DG A 5 8.595 4.010 -0.066 1.00 24.32 H new ATOM 0 H4' DG A 5 6.524 4.615 0.631 1.00 64.22 H new ATOM 0 H3' DG A 5 8.654 5.859 2.468 1.00 23.40 H new ATOM 0 H2' DG A 5 7.082 6.531 4.016 1.00 74.10 H new ATOM 0 H2'' DG A 5 6.019 7.111 2.750 1.00 74.10 H new ATOM 0 H1' DG A 5 4.887 5.035 2.593 1.00 33.35 H new ATOM 0 H8 DG A 5 7.226 4.800 5.629 1.00 75.23 H new ATOM 0 H1 DG A 5 1.001 3.310 6.583 1.00 1.34 H new ATOM 0 H21 DG A 5 0.694 3.868 3.236 1.00 14.12 H new ATOM 0 H22 DG A 5 -0.031 3.428 4.786 1.00 14.12 H new ATOM 158 P DC A 6 7.928 8.394 1.296 1.00 74.41 P ATOM 159 OP1 DC A 6 8.767 9.010 0.244 1.00 41.32 O ATOM 160 OP2 DC A 6 8.370 8.549 2.700 1.00 14.10 O ATOM 161 O5' DC A 6 6.453 9.005 1.172 1.00 41.31 O ATOM 162 C5' DC A 6 5.442 8.287 0.466 1.00 73.43 C ATOM 163 C4' DC A 6 4.098 8.951 0.671 1.00 40.55 C ATOM 164 O4' DC A 6 3.258 8.435 1.698 1.00 23.14 O ATOM 165 C3' DC A 6 4.173 10.427 1.046 1.00 53.12 C ATOM 166 O3' DC A 6 3.200 11.157 0.302 1.00 34.02 O ATOM 167 C2' DC A 6 3.889 10.477 2.522 1.00 75.03 C ATOM 168 C1' DC A 6 2.827 9.387 2.644 1.00 15.31 C ATOM 169 N1 DC A 6 2.740 8.795 3.995 1.00 30.53 N ATOM 170 C2 DC A 6 1.701 9.218 4.822 1.00 30.13 C ATOM 171 O2 DC A 6 0.906 10.059 4.389 1.00 34.12 O ATOM 172 N3 DC A 6 1.601 8.695 6.056 1.00 73.22 N ATOM 173 C4 DC A 6 2.458 7.799 6.503 1.00 0.24 C ATOM 174 N4 DC A 6 2.343 7.294 7.725 1.00 41.30 N ATOM 175 C5 DC A 6 3.544 7.345 5.666 1.00 44.31 C ATOM 176 C6 DC A 6 3.631 7.875 4.438 1.00 22.23 C ATOM 0 H5' DC A 6 5.405 7.256 0.817 1.00 73.43 H new ATOM 0 H5'' DC A 6 5.682 8.254 -0.597 1.00 73.43 H new ATOM 0 H4' DC A 6 3.685 8.753 -0.318 1.00 40.55 H new ATOM 0 H3' DC A 6 5.142 10.872 0.821 1.00 53.12 H new ATOM 0 H2' DC A 6 4.774 10.261 3.121 1.00 75.03 H new ATOM 0 H2'' DC A 6 3.519 11.452 2.839 1.00 75.03 H new ATOM 0 H1' DC A 6 1.823 9.773 2.470 1.00 15.31 H new ATOM 0 H41 DC A 6 3.015 6.601 8.056 1.00 41.30 H new ATOM 0 H42 DC A 6 1.583 7.599 8.333 1.00 41.30 H new ATOM 0 H5 DC A 6 4.255 6.610 6.014 1.00 44.31 H new ATOM 0 H6 DC A 6 4.432 7.561 3.785 1.00 22.23 H new ATOM 188 P DA A 7 3.407 11.394 -1.267 1.00 15.52 P ATOM 189 OP1 DA A 7 4.563 10.602 -1.743 1.00 70.42 O ATOM 190 OP2 DA A 7 3.407 12.845 -1.555 1.00 31.12 O ATOM 191 O5' DA A 7 2.082 10.764 -1.905 1.00 40.42 O ATOM 192 C5' DA A 7 0.799 11.198 -1.455 1.00 2.43 C ATOM 193 C4' DA A 7 -0.118 10.009 -1.274 1.00 65.04 C ATOM 194 O4' DA A 7 0.550 8.751 -1.064 1.00 72.33 O ATOM 195 C3' DA A 7 -1.075 10.126 -0.091 1.00 0.51 C ATOM 196 O3' DA A 7 -2.417 9.973 -0.552 1.00 64.34 O ATOM 197 C2' DA A 7 -0.686 9.018 0.847 1.00 31.31 C ATOM 198 C1' DA A 7 -0.180 7.973 -0.142 1.00 64.01 C ATOM 199 N9 DA A 7 0.676 6.938 0.479 1.00 75.42 N ATOM 200 C8 DA A 7 0.789 6.649 1.792 1.00 23.25 C ATOM 201 N7 DA A 7 1.646 5.661 2.027 1.00 2.12 N ATOM 202 C5 DA A 7 2.096 5.313 0.782 1.00 52.13 C ATOM 203 C6 DA A 7 3.020 4.333 0.362 1.00 33.31 C ATOM 204 N6 DA A 7 3.681 3.491 1.197 1.00 15.44 N ATOM 205 N1 DA A 7 3.261 4.231 -0.973 1.00 1.45 N ATOM 206 C2 DA A 7 2.608 5.065 -1.813 1.00 60.44 C ATOM 207 N3 DA A 7 1.714 6.029 -1.526 1.00 53.02 N ATOM 208 C4 DA A 7 1.518 6.080 -0.178 1.00 71.11 C ATOM 0 H5' DA A 7 0.368 11.893 -2.176 1.00 2.43 H new ATOM 0 H5'' DA A 7 0.899 11.737 -0.513 1.00 2.43 H new ATOM 0 H4' DA A 7 -0.646 10.022 -2.228 1.00 65.04 H new ATOM 0 H3' DA A 7 -1.018 11.094 0.407 1.00 0.51 H new ATOM 0 H2' DA A 7 0.085 9.326 1.554 1.00 31.31 H new ATOM 0 H2'' DA A 7 -1.531 8.657 1.434 1.00 31.31 H new ATOM 0 H1' DA A 7 -0.995 7.400 -0.584 1.00 64.01 H new ATOM 0 H8 DA A 7 0.242 7.165 2.568 1.00 23.25 H new ATOM 0 H61 DA A 7 4.336 2.807 0.818 1.00 15.44 H new ATOM 0 H62 DA A 7 3.523 3.543 2.203 1.00 15.44 H new ATOM 0 H2 DA A 7 2.836 4.940 -2.861 1.00 60.44 H new ATOM 220 P DG A 8 -3.640 10.288 0.429 1.00 41.32 P ATOM 221 OP1 DG A 8 -4.875 10.489 -0.361 1.00 22.31 O ATOM 222 OP2 DG A 8 -3.256 11.358 1.378 1.00 41.10 O ATOM 223 O5' DG A 8 -3.797 8.928 1.256 1.00 1.52 O ATOM 224 C5' DG A 8 -4.747 7.947 0.842 1.00 2.14 C ATOM 225 C4' DG A 8 -4.259 7.250 -0.410 1.00 52.52 C ATOM 226 O4' DG A 8 -3.082 6.661 -0.067 1.00 61.35 O ATOM 227 C3' DG A 8 -5.084 6.031 -0.814 1.00 24.42 C ATOM 228 O3' DG A 8 -6.011 6.403 -1.831 1.00 1.31 O ATOM 229 C2' DG A 8 -4.086 5.027 -1.319 1.00 2.11 C ATOM 230 C1' DG A 8 -2.911 5.298 -0.385 1.00 43.02 C ATOM 231 N9 DG A 8 -2.922 4.462 0.834 1.00 55.50 N ATOM 232 C8 DG A 8 -3.882 4.406 1.781 1.00 5.23 C ATOM 233 N7 DG A 8 -3.591 3.549 2.756 1.00 74.05 N ATOM 234 C5 DG A 8 -2.374 3.040 2.395 1.00 23.55 C ATOM 235 C6 DG A 8 -1.536 2.090 3.013 1.00 42.30 C ATOM 236 O6 DG A 8 -1.778 1.509 4.071 1.00 10.03 O ATOM 237 N1 DG A 8 -0.363 1.788 2.393 1.00 74.31 N ATOM 238 C2 DG A 8 -0.070 2.411 1.229 1.00 53.11 C ATOM 239 N2 DG A 8 1.104 2.011 0.749 1.00 3.11 N ATOM 240 N3 DG A 8 -0.789 3.327 0.553 1.00 22.13 N ATOM 241 C4 DG A 8 -1.946 3.584 1.224 1.00 30.12 C ATOM 0 H5' DG A 8 -5.711 8.419 0.653 1.00 2.14 H new ATOM 0 H5'' DG A 8 -4.900 7.218 1.638 1.00 2.14 H new ATOM 0 H4' DG A 8 -4.261 7.999 -1.202 1.00 52.52 H new ATOM 0 H3' DG A 8 -5.666 5.620 0.010 1.00 24.42 H new ATOM 0 H2' DG A 8 -4.452 4.003 -1.237 1.00 2.11 H new ATOM 0 H2'' DG A 8 -3.828 5.191 -2.365 1.00 2.11 H new ATOM 0 H1' DG A 8 -1.955 5.060 -0.851 1.00 43.02 H new ATOM 0 H8 DG A 8 -4.788 4.993 1.751 1.00 5.23 H new ATOM 0 H1 DG A 8 0.280 1.107 2.797 1.00 74.31 H new ATOM 0 H21 DG A 8 1.455 2.398 -0.127 1.00 3.11 H new ATOM 0 H22 DG A 8 1.653 1.317 1.257 1.00 3.11 H new ATOM 253 P DT A 9 -7.462 5.729 -1.875 1.00 71.20 P ATOM 254 OP1 DT A 9 -8.399 6.608 -2.612 1.00 35.15 O ATOM 255 OP2 DT A 9 -7.857 5.304 -0.513 1.00 71.20 O ATOM 256 O5' DT A 9 -7.222 4.414 -2.754 1.00 51.33 O ATOM 257 C5' DT A 9 -6.793 3.208 -2.128 1.00 24.14 C ATOM 258 C4' DT A 9 -5.706 2.554 -2.950 1.00 31.31 C ATOM 259 O4' DT A 9 -5.057 1.556 -2.207 1.00 72.51 O ATOM 260 C3' DT A 9 -6.219 1.650 -4.067 1.00 23.32 C ATOM 261 O3' DT A 9 -5.178 1.436 -5.020 1.00 41.44 O ATOM 262 C2' DT A 9 -6.619 0.369 -3.390 1.00 62.33 C ATOM 263 C1' DT A 9 -5.497 0.226 -2.366 1.00 63.52 C ATOM 264 N1 DT A 9 -5.942 -0.347 -1.080 1.00 72.01 N ATOM 265 C2 DT A 9 -5.144 -1.309 -0.539 1.00 63.44 C ATOM 266 O2 DT A 9 -4.111 -1.701 -1.057 1.00 2.24 O ATOM 267 N3 DT A 9 -5.558 -1.843 0.662 1.00 21.24 N ATOM 268 C4 DT A 9 -6.704 -1.459 1.310 1.00 25.52 C ATOM 269 O4 DT A 9 -6.974 -2.005 2.378 1.00 11.50 O ATOM 270 C5 DT A 9 -7.500 -0.452 0.702 1.00 32.51 C ATOM 271 C7 DT A 9 -8.772 0.011 1.371 1.00 44.31 C ATOM 272 C6 DT A 9 -7.079 0.054 -0.460 1.00 54.33 C ATOM 0 H5' DT A 9 -7.636 2.526 -2.018 1.00 24.14 H new ATOM 0 H5'' DT A 9 -6.423 3.421 -1.125 1.00 24.14 H new ATOM 0 H4' DT A 9 -5.123 3.411 -3.286 1.00 31.31 H new ATOM 0 H3' DT A 9 -7.061 2.081 -4.609 1.00 23.32 H new ATOM 0 H2' DT A 9 -7.600 0.438 -2.921 1.00 62.33 H new ATOM 0 H2'' DT A 9 -6.656 -0.471 -4.083 1.00 62.33 H new ATOM 0 H1' DT A 9 -4.724 -0.466 -2.699 1.00 63.52 H new ATOM 0 H3 DT A 9 -4.980 -2.564 1.093 1.00 21.24 H new ATOM 0 H71 DT A 9 -8.957 1.055 1.117 1.00 44.31 H new ATOM 0 H72 DT A 9 -9.607 -0.600 1.028 1.00 44.31 H new ATOM 0 H73 DT A 9 -8.671 -0.087 2.452 1.00 44.31 H new ATOM 0 H6 DT A 9 -7.675 0.822 -0.930 1.00 54.33 H new ATOM 285 P DG A 10 -4.825 2.572 -6.089 1.00 21.15 P ATOM 286 OP1 DG A 10 -5.474 3.843 -5.697 1.00 3.21 O ATOM 287 OP2 DG A 10 -5.081 2.067 -7.456 1.00 3.11 O ATOM 288 O5' DG A 10 -3.245 2.751 -5.915 1.00 12.33 O ATOM 289 C5' DG A 10 -2.729 3.851 -5.169 1.00 32.25 C ATOM 290 C4' DG A 10 -1.231 3.942 -5.346 1.00 21.22 C ATOM 291 O4' DG A 10 -0.502 3.426 -4.291 1.00 64.20 O ATOM 292 C3' DG A 10 -0.663 3.005 -6.408 1.00 30.11 C ATOM 293 O3' DG A 10 0.624 3.469 -6.812 1.00 70.23 O ATOM 294 C2' DG A 10 -0.580 1.657 -5.745 1.00 61.24 C ATOM 295 C1' DG A 10 -0.156 2.059 -4.335 1.00 34.35 C ATOM 296 N9 DG A 10 -0.847 1.299 -3.273 1.00 53.24 N ATOM 297 C8 DG A 10 -2.178 1.203 -3.068 1.00 64.44 C ATOM 298 N7 DG A 10 -2.481 0.440 -2.023 1.00 0.13 N ATOM 299 C5 DG A 10 -1.263 0.035 -1.547 1.00 51.14 C ATOM 300 C6 DG A 10 -0.912 -0.790 -0.456 1.00 11.22 C ATOM 301 O6 DG A 10 -1.705 -1.328 0.314 1.00 52.22 O ATOM 302 N1 DG A 10 0.413 -1.008 -0.238 1.00 63.41 N ATOM 303 C2 DG A 10 1.308 -0.429 -1.068 1.00 72.53 C ATOM 304 N2 DG A 10 2.557 -0.736 -0.724 1.00 10.45 N ATOM 305 N3 DG A 10 1.088 0.369 -2.130 1.00 31.34 N ATOM 306 C4 DG A 10 -0.252 0.548 -2.295 1.00 43.33 C ATOM 0 H5' DG A 10 -2.971 3.730 -4.113 1.00 32.25 H new ATOM 0 H5'' DG A 10 -3.199 4.777 -5.500 1.00 32.25 H new ATOM 0 H4' DG A 10 -1.137 5.012 -5.534 1.00 21.22 H new ATOM 0 H3' DG A 10 -1.279 2.959 -7.306 1.00 30.11 H new ATOM 0 H2' DG A 10 -1.535 1.131 -5.756 1.00 61.24 H new ATOM 0 H2'' DG A 10 0.149 1.004 -6.226 1.00 61.24 H new ATOM 0 H1' DG A 10 0.899 1.855 -4.150 1.00 34.35 H new ATOM 0 H8 DG A 10 -2.916 1.693 -3.686 1.00 64.44 H new ATOM 0 H1 DG A 10 0.724 -1.596 0.535 1.00 63.41 H new ATOM 0 H21 DG A 10 3.340 -0.368 -1.264 1.00 10.45 H new ATOM 0 H22 DG A 10 2.731 -1.340 0.080 1.00 10.45 H new ATOM 318 P DC A 11 1.178 3.119 -8.270 1.00 23.51 P ATOM 319 OP1 DC A 11 2.300 4.025 -8.607 1.00 1.22 O ATOM 320 OP2 DC A 11 0.053 3.043 -9.227 1.00 21.22 O ATOM 321 O5' DC A 11 1.773 1.645 -8.086 1.00 33.35 O ATOM 322 C5' DC A 11 2.685 1.371 -7.025 1.00 3.53 C ATOM 323 C4' DC A 11 2.686 -0.107 -6.708 1.00 15.32 C ATOM 324 O4' DC A 11 1.729 -0.475 -5.711 1.00 44.22 O ATOM 325 C3' DC A 11 2.373 -1.008 -7.899 1.00 11.15 C ATOM 326 O3' DC A 11 3.500 -1.837 -8.176 1.00 70.33 O ATOM 327 C2' DC A 11 1.179 -1.819 -7.482 1.00 40.43 C ATOM 328 C1' DC A 11 1.344 -1.808 -5.965 1.00 31.43 C ATOM 329 N1 DC A 11 0.106 -2.155 -5.235 1.00 60.34 N ATOM 330 C2 DC A 11 0.192 -3.134 -4.246 1.00 34.33 C ATOM 331 O2 DC A 11 1.287 -3.662 -4.030 1.00 44.43 O ATOM 332 N3 DC A 11 -0.922 -3.467 -3.568 1.00 21.40 N ATOM 333 C4 DC A 11 -2.082 -2.893 -3.813 1.00 12.25 C ATOM 334 N4 DC A 11 -3.170 -3.235 -3.133 1.00 72.22 N ATOM 335 C5 DC A 11 -2.197 -1.875 -4.832 1.00 53.22 C ATOM 336 C6 DC A 11 -1.080 -1.553 -5.499 1.00 12.11 C ATOM 0 H5' DC A 11 2.405 1.941 -6.139 1.00 3.53 H new ATOM 0 H5'' DC A 11 3.688 1.691 -7.306 1.00 3.53 H new ATOM 0 H4' DC A 11 3.709 -0.259 -6.365 1.00 15.32 H new ATOM 0 H3' DC A 11 2.161 -0.448 -8.810 1.00 11.15 H new ATOM 0 H2' DC A 11 0.240 -1.366 -7.799 1.00 40.43 H new ATOM 0 H2'' DC A 11 1.201 -2.828 -7.893 1.00 40.43 H new ATOM 0 H1' DC A 11 2.060 -2.556 -5.624 1.00 31.43 H new ATOM 0 H41 DC A 11 -4.061 -2.781 -3.334 1.00 72.22 H new ATOM 0 H42 DC A 11 -3.115 -3.952 -2.409 1.00 72.22 H new ATOM 0 H5 DC A 11 -3.141 -1.395 -5.046 1.00 53.22 H new ATOM 0 H6 DC A 11 -1.126 -0.795 -6.266 1.00 12.11 H new ATOM 348 P DC A 12 3.947 -2.102 -9.690 1.00 71.33 P ATOM 349 OP1 DC A 12 5.280 -1.504 -9.928 1.00 44.24 O ATOM 350 OP2 DC A 12 2.852 -1.716 -10.607 1.00 11.13 O ATOM 351 O5' DC A 12 4.101 -3.694 -9.745 1.00 11.41 O ATOM 352 C5' DC A 12 5.218 -4.323 -9.122 1.00 2.40 C ATOM 353 C4' DC A 12 4.883 -5.758 -8.784 1.00 52.44 C ATOM 354 O4' DC A 12 3.747 -5.783 -7.948 1.00 54.41 O ATOM 355 C3' DC A 12 4.468 -6.608 -9.983 1.00 51.03 C ATOM 356 O3' DC A 12 5.103 -7.893 -9.896 1.00 73.12 O ATOM 357 C2' DC A 12 2.972 -6.722 -9.889 1.00 34.02 C ATOM 358 C1' DC A 12 2.781 -6.719 -8.376 1.00 50.23 C ATOM 359 N1 DC A 12 1.424 -6.316 -7.954 1.00 72.13 N ATOM 360 C2 DC A 12 0.825 -7.037 -6.922 1.00 54.33 C ATOM 361 O2 DC A 12 1.452 -7.972 -6.412 1.00 13.41 O ATOM 362 N3 DC A 12 -0.412 -6.688 -6.520 1.00 2.41 N ATOM 363 C4 DC A 12 -1.065 -5.688 -7.074 1.00 54.50 C ATOM 364 N4 DC A 12 -2.285 -5.360 -6.665 1.00 65.11 N ATOM 365 C5 DC A 12 -0.467 -4.926 -8.146 1.00 70.52 C ATOM 366 C6 DC A 12 0.764 -5.284 -8.535 1.00 40.31 C ATOM 0 H5' DC A 12 5.492 -3.782 -8.216 1.00 2.40 H new ATOM 0 H5'' DC A 12 6.082 -4.290 -9.786 1.00 2.40 H new ATOM 0 H4' DC A 12 5.795 -6.158 -8.340 1.00 52.44 H new ATOM 0 H3' DC A 12 4.764 -6.173 -10.938 1.00 51.03 H new ATOM 0 H2' DC A 12 2.463 -5.888 -10.372 1.00 34.02 H new ATOM 0 H2'' DC A 12 2.597 -7.635 -10.351 1.00 34.02 H new ATOM 0 HO3' DC A 12 4.837 -8.442 -10.663 1.00 73.12 H new ATOM 0 H1' DC A 12 2.897 -7.714 -7.946 1.00 50.23 H new ATOM 0 H41 DC A 12 -2.778 -4.583 -7.104 1.00 65.11 H new ATOM 0 H42 DC A 12 -2.729 -5.885 -5.912 1.00 65.11 H new ATOM 0 H5 DC A 12 -0.989 -4.104 -8.613 1.00 70.52 H new ATOM 0 H6 DC A 12 1.243 -4.736 -9.333 1.00 40.31 H new TER 379 DC A 12