USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -0.249 (180deg=-0.249) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.761 (180deg=-0.761) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.428 (180deg=-0.428) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.277 (180deg=-0.277) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 7.532 6.719 -6.466 1.00 0.00 P ATOM 2 OP1 DT A 1 7.979 7.496 -7.636 1.00 0.00 O ATOM 3 OP2 DT A 1 7.855 7.205 -5.097 1.00 0.00 O ATOM 4 O5' DT A 1 8.088 5.224 -6.613 1.00 0.00 O ATOM 5 C5' DT A 1 7.812 4.429 -7.759 1.00 0.00 C ATOM 6 C4' DT A 1 8.852 3.297 -7.907 1.00 0.00 C ATOM 7 O4' DT A 1 10.006 3.841 -8.542 1.00 0.00 O ATOM 8 C3' DT A 1 9.327 2.674 -6.580 1.00 0.00 C ATOM 9 O3' DT A 1 9.677 1.303 -6.759 1.00 0.00 O ATOM 10 C2' DT A 1 10.561 3.516 -6.285 1.00 0.00 C ATOM 11 C1' DT A 1 11.125 3.697 -7.687 1.00 0.00 C ATOM 12 N1 DT A 1 11.992 4.897 -7.772 1.00 0.00 N ATOM 13 C2 DT A 1 13.344 4.708 -8.025 1.00 0.00 C ATOM 14 O2 DT A 1 13.872 3.613 -8.164 1.00 0.00 O ATOM 15 N3 DT A 1 14.120 5.835 -8.121 1.00 0.00 N ATOM 16 C4 DT A 1 13.679 7.128 -7.996 1.00 0.00 C ATOM 17 O4 DT A 1 14.492 8.036 -8.109 1.00 0.00 O ATOM 18 C5 DT A 1 12.255 7.266 -7.734 1.00 0.00 C ATOM 19 C7 DT A 1 11.620 8.640 -7.564 1.00 0.00 C ATOM 20 C6 DT A 1 11.473 6.163 -7.632 1.00 0.00 C ATOM 0 H5' DT A 1 7.820 5.055 -8.651 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.812 4.002 -7.678 1.00 0.00 H new ATOM 0 H4' DT A 1 8.358 2.508 -8.475 1.00 0.00 H new ATOM 0 H3' DT A 1 8.579 2.678 -5.787 1.00 0.00 H new ATOM 0 H2' DT A 1 10.310 4.467 -5.815 1.00 0.00 H new ATOM 0 H2'' DT A 1 11.260 3.007 -5.621 1.00 0.00 H new ATOM 0 H1' DT A 1 11.745 2.845 -7.966 1.00 0.00 H new ATOM 0 H3 DT A 1 15.115 5.699 -8.302 1.00 0.00 H new ATOM 0 H71 DT A 1 10.584 8.606 -7.901 1.00 0.00 H new ATOM 0 H72 DT A 1 11.650 8.927 -6.513 1.00 0.00 H new ATOM 0 H73 DT A 1 12.171 9.371 -8.156 1.00 0.00 H new ATOM 0 H6 DT A 1 10.418 6.281 -7.436 1.00 0.00 H new ATOM 33 P DG A 2 10.159 0.415 -5.509 1.00 0.00 P ATOM 34 OP1 DG A 2 11.538 0.751 -5.114 1.00 0.00 O ATOM 35 OP2 DG A 2 9.800 -1.020 -5.648 1.00 0.00 O ATOM 36 O5' DG A 2 9.164 0.965 -4.398 1.00 0.00 O ATOM 37 C5' DG A 2 9.582 1.743 -3.298 1.00 0.00 C ATOM 38 C4' DG A 2 8.763 1.315 -2.086 1.00 0.00 C ATOM 39 O4' DG A 2 7.441 1.785 -2.243 1.00 0.00 O ATOM 40 C3' DG A 2 8.752 -0.194 -2.067 1.00 0.00 C ATOM 41 O3' DG A 2 9.106 -0.643 -0.792 1.00 0.00 O ATOM 42 C2' DG A 2 7.359 -0.559 -2.546 1.00 0.00 C ATOM 43 C1' DG A 2 6.548 0.699 -2.262 1.00 0.00 C ATOM 44 N9 DG A 2 5.591 0.940 -3.341 1.00 0.00 N ATOM 45 C8 DG A 2 5.836 1.067 -4.681 1.00 0.00 C ATOM 46 N7 DG A 2 4.748 1.246 -5.387 1.00 0.00 N ATOM 47 C5 DG A 2 3.725 1.305 -4.427 1.00 0.00 C ATOM 48 C6 DG A 2 2.317 1.552 -4.527 1.00 0.00 C ATOM 49 O6 DG A 2 1.632 1.744 -5.526 1.00 0.00 O ATOM 50 N1 DG A 2 1.678 1.576 -3.303 1.00 0.00 N ATOM 51 C2 DG A 2 2.308 1.399 -2.115 1.00 0.00 C ATOM 52 N2 DG A 2 1.570 1.420 -1.033 1.00 0.00 N ATOM 53 N3 DG A 2 3.605 1.168 -1.984 1.00 0.00 N ATOM 54 C4 DG A 2 4.252 1.147 -3.174 1.00 0.00 C ATOM 0 H5' DG A 2 9.436 2.804 -3.503 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.646 1.599 -3.110 1.00 0.00 H new ATOM 0 H4' DG A 2 9.183 1.714 -1.163 1.00 0.00 H new ATOM 0 H3' DG A 2 9.481 -0.680 -2.715 1.00 0.00 H new ATOM 0 H2' DG A 2 7.352 -0.811 -3.606 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.963 -1.422 -2.011 1.00 0.00 H new ATOM 0 H1' DG A 2 6.016 0.583 -1.318 1.00 0.00 H new ATOM 0 H8 DG A 2 6.825 1.024 -5.112 1.00 0.00 H new ATOM 0 H1 DG A 2 0.671 1.737 -3.292 1.00 0.00 H new ATOM 0 H21 DG A 2 2.002 1.291 -0.118 1.00 0.00 H new ATOM 0 H22 DG A 2 0.563 1.565 -1.105 1.00 0.00 H new ATOM 66 P DC A 3 9.384 -2.178 -0.568 1.00 0.00 P ATOM 67 OP1 DC A 3 10.116 -2.239 0.724 1.00 0.00 O ATOM 68 OP2 DC A 3 9.939 -2.749 -1.821 1.00 0.00 O ATOM 69 O5' DC A 3 7.927 -2.725 -0.289 1.00 0.00 O ATOM 70 C5' DC A 3 7.153 -2.116 0.726 1.00 0.00 C ATOM 71 C4' DC A 3 5.695 -2.532 0.709 1.00 0.00 C ATOM 72 O4' DC A 3 5.064 -1.824 -0.330 1.00 0.00 O ATOM 73 C3' DC A 3 5.468 -4.019 0.421 1.00 0.00 C ATOM 74 O3' DC A 3 5.114 -4.765 1.558 1.00 0.00 O ATOM 75 C2' DC A 3 4.252 -3.988 -0.476 1.00 0.00 C ATOM 76 C1' DC A 3 3.879 -2.514 -0.589 1.00 0.00 C ATOM 77 N1 DC A 3 3.466 -2.213 -1.961 1.00 0.00 N ATOM 78 C2 DC A 3 2.180 -1.792 -2.188 1.00 0.00 C ATOM 79 O2 DC A 3 1.446 -1.545 -1.242 1.00 0.00 O ATOM 80 N3 DC A 3 1.732 -1.646 -3.459 1.00 0.00 N ATOM 81 C4 DC A 3 2.568 -1.876 -4.460 1.00 0.00 C ATOM 82 N4 DC A 3 2.080 -1.738 -5.670 1.00 0.00 N ATOM 83 C5 DC A 3 3.921 -2.273 -4.259 1.00 0.00 C ATOM 84 C6 DC A 3 4.317 -2.432 -2.991 1.00 0.00 C ATOM 0 H5' DC A 3 7.215 -1.033 0.618 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.582 -2.364 1.697 1.00 0.00 H new ATOM 0 H4' DC A 3 5.299 -2.322 1.703 1.00 0.00 H new ATOM 0 H3' DC A 3 6.372 -4.477 0.019 1.00 0.00 H new ATOM 0 H2' DC A 3 4.473 -4.415 -1.454 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.434 -4.570 -0.052 1.00 0.00 H new ATOM 0 H1' DC A 3 3.068 -2.247 0.088 1.00 0.00 H new ATOM 0 H41 DC A 3 2.675 -1.902 -6.482 1.00 0.00 H new ATOM 0 H42 DC A 3 1.105 -1.467 -5.799 1.00 0.00 H new ATOM 0 H5 DC A 3 4.593 -2.437 -5.088 1.00 0.00 H new ATOM 0 H6 DC A 3 5.332 -2.740 -2.786 1.00 0.00 H new ATOM 96 P DT A 4 6.206 -5.596 2.365 1.00 0.00 P ATOM 97 OP1 DT A 4 7.523 -4.920 2.250 1.00 0.00 O ATOM 98 OP2 DT A 4 6.068 -7.016 1.968 1.00 0.00 O ATOM 99 O5' DT A 4 5.667 -5.434 3.857 1.00 0.00 O ATOM 100 C5' DT A 4 5.862 -4.215 4.536 1.00 0.00 C ATOM 101 C4' DT A 4 5.087 -4.121 5.850 1.00 0.00 C ATOM 102 O4' DT A 4 3.752 -3.701 5.630 1.00 0.00 O ATOM 103 C3' DT A 4 5.009 -5.379 6.706 1.00 0.00 C ATOM 104 O3' DT A 4 4.845 -4.941 8.040 1.00 0.00 O ATOM 105 C2' DT A 4 3.692 -5.974 6.240 1.00 0.00 C ATOM 106 C1' DT A 4 2.863 -4.704 6.090 1.00 0.00 C ATOM 107 N1 DT A 4 1.744 -4.876 5.145 1.00 0.00 N ATOM 108 C2 DT A 4 0.528 -5.285 5.669 1.00 0.00 C ATOM 109 O2 DT A 4 0.363 -5.572 6.847 1.00 0.00 O ATOM 110 N3 DT A 4 -0.519 -5.390 4.791 1.00 0.00 N ATOM 111 C4 DT A 4 -0.469 -5.110 3.450 1.00 0.00 C ATOM 112 O4 DT A 4 -1.488 -5.242 2.783 1.00 0.00 O ATOM 113 C5 DT A 4 0.834 -4.683 2.961 1.00 0.00 C ATOM 114 C7 DT A 4 1.024 -4.300 1.504 1.00 0.00 C ATOM 115 C6 DT A 4 1.886 -4.590 3.810 1.00 0.00 C ATOM 0 H5' DT A 4 5.561 -3.393 3.886 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.925 -4.087 4.740 1.00 0.00 H new ATOM 0 H4' DT A 4 5.683 -3.397 6.405 1.00 0.00 H new ATOM 0 H3' DT A 4 5.859 -6.057 6.638 1.00 0.00 H new ATOM 0 H2' DT A 4 3.791 -6.520 5.302 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.267 -6.665 6.968 1.00 0.00 H new ATOM 0 H1' DT A 4 2.409 -4.437 7.044 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.413 -5.704 5.168 1.00 0.00 H new ATOM 0 H71 DT A 4 1.811 -3.550 1.425 1.00 0.00 H new ATOM 0 H72 DT A 4 1.304 -5.183 0.929 1.00 0.00 H new ATOM 0 H73 DT A 4 0.093 -3.892 1.111 1.00 0.00 H new ATOM 0 H6 DT A 4 2.851 -4.286 3.431 1.00 0.00 H new ATOM 128 P DC A 5 5.207 -5.908 9.254 1.00 0.00 P ATOM 129 OP1 DC A 5 4.844 -7.301 8.924 1.00 0.00 O ATOM 130 OP2 DC A 5 4.537 -5.397 10.466 1.00 0.00 O ATOM 131 O5' DC A 5 6.782 -5.769 9.411 1.00 0.00 O ATOM 132 C5' DC A 5 7.334 -4.660 10.093 1.00 0.00 C ATOM 133 C4' DC A 5 8.707 -4.299 9.526 1.00 0.00 C ATOM 134 O4' DC A 5 9.656 -5.338 9.712 1.00 0.00 O ATOM 135 C3' DC A 5 8.667 -3.995 8.018 1.00 0.00 C ATOM 136 O3' DC A 5 9.035 -2.660 7.770 1.00 0.00 O ATOM 137 C2' DC A 5 9.750 -4.908 7.461 1.00 0.00 C ATOM 138 C1' DC A 5 10.610 -5.178 8.686 1.00 0.00 C ATOM 139 N1 DC A 5 11.397 -6.415 8.499 1.00 0.00 N ATOM 140 C2 DC A 5 12.752 -6.307 8.223 1.00 0.00 C ATOM 141 O2 DC A 5 13.290 -5.210 8.140 1.00 0.00 O ATOM 142 N3 DC A 5 13.481 -7.433 8.033 1.00 0.00 N ATOM 143 C4 DC A 5 12.893 -8.609 8.096 1.00 0.00 C ATOM 144 N4 DC A 5 13.661 -9.654 7.894 1.00 0.00 N ATOM 145 C5 DC A 5 11.499 -8.767 8.329 1.00 0.00 C ATOM 146 C6 DC A 5 10.787 -7.637 8.528 1.00 0.00 C ATOM 0 H5' DC A 5 7.423 -4.889 11.155 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.664 -3.805 10.007 1.00 0.00 H new ATOM 0 H4' DC A 5 9.003 -3.407 10.079 1.00 0.00 H new ATOM 0 H3' DC A 5 7.678 -4.145 7.585 1.00 0.00 H new ATOM 0 H2' DC A 5 9.334 -5.826 7.046 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.317 -4.427 6.664 1.00 0.00 H new ATOM 0 H1' DC A 5 11.334 -4.390 8.894 1.00 0.00 H new ATOM 0 H41 DC A 5 13.264 -10.593 7.930 1.00 0.00 H new ATOM 0 H42 DC A 5 14.655 -9.527 7.701 1.00 0.00 H new ATOM 0 H5 DC A 5 11.033 -9.741 8.346 1.00 0.00 H new ATOM 0 H6 DC A 5 9.725 -7.700 8.712 1.00 0.00 H new ATOM 158 P DG A 6 7.979 -1.464 7.951 1.00 0.00 P ATOM 159 OP1 DG A 6 8.498 -0.525 8.961 1.00 0.00 O ATOM 160 OP2 DG A 6 6.618 -2.038 8.119 1.00 0.00 O ATOM 161 O5' DG A 6 8.013 -0.752 6.514 1.00 0.00 O ATOM 162 C5' DG A 6 8.511 -1.424 5.374 1.00 0.00 C ATOM 163 C4' DG A 6 8.009 -0.758 4.093 1.00 0.00 C ATOM 164 O4' DG A 6 6.654 -1.112 3.933 1.00 0.00 O ATOM 165 C3' DG A 6 8.157 0.763 4.085 1.00 0.00 C ATOM 166 O3' DG A 6 8.698 1.075 2.818 1.00 0.00 O ATOM 167 C2' DG A 6 6.720 1.233 4.299 1.00 0.00 C ATOM 168 C1' DG A 6 5.855 0.042 3.875 1.00 0.00 C ATOM 169 N9 DG A 6 4.716 -0.187 4.779 1.00 0.00 N ATOM 170 C8 DG A 6 4.700 -0.283 6.148 1.00 0.00 C ATOM 171 N7 DG A 6 3.580 -0.748 6.640 1.00 0.00 N ATOM 172 C5 DG A 6 2.774 -0.913 5.502 1.00 0.00 C ATOM 173 C6 DG A 6 1.434 -1.385 5.335 1.00 0.00 C ATOM 174 O6 DG A 6 0.661 -1.810 6.187 1.00 0.00 O ATOM 175 N1 DG A 6 1.006 -1.376 4.023 1.00 0.00 N ATOM 176 C2 DG A 6 1.788 -1.016 2.977 1.00 0.00 C ATOM 177 N2 DG A 6 1.250 -1.058 1.783 1.00 0.00 N ATOM 178 N3 DG A 6 3.049 -0.625 3.084 1.00 0.00 N ATOM 179 C4 DG A 6 3.473 -0.580 4.370 1.00 0.00 C ATOM 0 H5' DG A 6 8.197 -2.468 5.395 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.601 -1.419 5.390 1.00 0.00 H new ATOM 0 H4' DG A 6 8.625 -1.112 3.266 1.00 0.00 H new ATOM 0 H3' DG A 6 8.806 1.225 4.829 1.00 0.00 H new ATOM 0 H2' DG A 6 6.542 1.501 5.340 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.499 2.116 3.700 1.00 0.00 H new ATOM 0 H1' DG A 6 5.470 0.255 2.878 1.00 0.00 H new ATOM 0 H8 DG A 6 5.539 0.001 6.766 1.00 0.00 H new ATOM 0 H1 DG A 6 0.045 -1.657 3.830 1.00 0.00 H new ATOM 0 H21 DG A 6 1.801 -0.796 0.966 1.00 0.00 H new ATOM 0 H22 DG A 6 0.280 -1.353 1.671 1.00 0.00 H new ATOM 191 P DC A 7 9.083 2.561 2.400 1.00 0.00 P ATOM 192 OP1 DC A 7 9.919 2.390 1.181 1.00 0.00 O ATOM 193 OP2 DC A 7 9.609 3.304 3.550 1.00 0.00 O ATOM 194 O5' DC A 7 7.723 3.208 1.896 1.00 0.00 O ATOM 195 C5' DC A 7 7.052 2.596 0.816 1.00 0.00 C ATOM 196 C4' DC A 7 5.663 3.139 0.525 1.00 0.00 C ATOM 197 O4' DC A 7 4.853 2.446 1.440 1.00 0.00 O ATOM 198 C3' DC A 7 5.433 4.635 0.783 1.00 0.00 C ATOM 199 O3' DC A 7 5.306 5.454 -0.355 1.00 0.00 O ATOM 200 C2' DC A 7 4.084 4.640 1.470 1.00 0.00 C ATOM 201 C1' DC A 7 3.677 3.174 1.542 1.00 0.00 C ATOM 202 N1 DC A 7 3.077 2.844 2.837 1.00 0.00 N ATOM 203 C2 DC A 7 1.848 2.231 2.847 1.00 0.00 C ATOM 204 O2 DC A 7 1.340 1.876 1.792 1.00 0.00 O ATOM 205 N3 DC A 7 1.208 2.014 4.024 1.00 0.00 N ATOM 206 C4 DC A 7 1.801 2.394 5.146 1.00 0.00 C ATOM 207 N4 DC A 7 1.159 2.150 6.262 1.00 0.00 N ATOM 208 C5 DC A 7 3.094 2.992 5.175 1.00 0.00 C ATOM 209 C6 DC A 7 3.699 3.181 3.995 1.00 0.00 C ATOM 0 H5' DC A 7 6.972 1.528 1.017 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.663 2.707 -0.080 1.00 0.00 H new ATOM 0 H4' DC A 7 5.465 3.009 -0.539 1.00 0.00 H new ATOM 0 H3' DC A 7 6.291 5.037 1.322 1.00 0.00 H new ATOM 0 H2' DC A 7 4.148 5.082 2.464 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.356 5.225 0.908 1.00 0.00 H new ATOM 0 H1' DC A 7 2.952 2.956 0.758 1.00 0.00 H new ATOM 0 H41 DC A 7 1.569 2.421 7.156 1.00 0.00 H new ATOM 0 H42 DC A 7 0.249 1.689 6.237 1.00 0.00 H new ATOM 0 H5 DC A 7 3.564 3.279 6.104 1.00 0.00 H new ATOM 0 H6 DC A 7 4.692 3.606 3.965 1.00 0.00 H new ATOM 221 P DT A 8 6.568 5.918 -1.210 1.00 0.00 P ATOM 222 OP1 DT A 8 7.691 4.964 -1.066 1.00 0.00 O ATOM 223 OP2 DT A 8 6.847 7.362 -1.052 1.00 0.00 O ATOM 224 O5' DT A 8 5.989 5.848 -2.689 1.00 0.00 O ATOM 225 C5' DT A 8 6.187 4.727 -3.510 1.00 0.00 C ATOM 226 C4' DT A 8 5.419 4.835 -4.822 1.00 0.00 C ATOM 227 O4' DT A 8 4.157 4.246 -4.632 1.00 0.00 O ATOM 228 C3' DT A 8 5.215 6.262 -5.359 1.00 0.00 C ATOM 229 O3' DT A 8 5.946 6.525 -6.535 1.00 0.00 O ATOM 230 C2' DT A 8 3.727 6.322 -5.653 1.00 0.00 C ATOM 231 C1' DT A 8 3.183 4.925 -5.381 1.00 0.00 C ATOM 232 N1 DT A 8 1.967 5.004 -4.551 1.00 0.00 N ATOM 233 C2 DT A 8 0.768 5.199 -5.215 1.00 0.00 C ATOM 234 O2 DT A 8 0.673 5.314 -6.429 1.00 0.00 O ATOM 235 N3 DT A 8 -0.357 5.292 -4.440 1.00 0.00 N ATOM 236 C4 DT A 8 -0.400 5.161 -3.076 1.00 0.00 C ATOM 237 O4 DT A 8 -1.484 5.251 -2.515 1.00 0.00 O ATOM 238 C5 DT A 8 0.887 4.923 -2.440 1.00 0.00 C ATOM 239 C7 DT A 8 0.961 4.635 -0.953 1.00 0.00 C ATOM 240 C6 DT A 8 2.021 4.875 -3.180 1.00 0.00 C ATOM 0 H5' DT A 8 5.872 3.829 -2.979 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.251 4.616 -3.721 1.00 0.00 H new ATOM 0 H4' DT A 8 6.028 4.328 -5.571 1.00 0.00 H new ATOM 0 H3' DT A 8 5.563 7.004 -4.641 1.00 0.00 H new ATOM 0 H2' DT A 8 3.235 7.061 -5.021 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.546 6.616 -6.687 1.00 0.00 H new ATOM 0 H1' DT A 8 2.951 4.426 -6.322 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.239 5.474 -4.919 1.00 0.00 H new ATOM 0 H71 DT A 8 1.818 3.993 -0.749 1.00 0.00 H new ATOM 0 H72 DT A 8 1.071 5.571 -0.406 1.00 0.00 H new ATOM 0 H73 DT A 8 0.048 4.133 -0.634 1.00 0.00 H new ATOM 0 H6 DT A 8 2.974 4.735 -2.692 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -4.466 -4.389 -9.372 1.00 0.00 P ATOM 255 OP1 DT B 1 -4.376 -4.948 -10.731 1.00 0.00 O ATOM 256 OP2 DT B 1 -3.401 -3.481 -8.882 1.00 0.00 O ATOM 257 O5' DT B 1 -5.830 -3.568 -9.277 1.00 0.00 O ATOM 258 C5' DT B 1 -5.986 -2.392 -10.040 1.00 0.00 C ATOM 259 C4' DT B 1 -7.350 -1.740 -9.784 1.00 0.00 C ATOM 260 O4' DT B 1 -8.340 -2.425 -10.548 1.00 0.00 O ATOM 261 C3' DT B 1 -7.826 -1.750 -8.324 1.00 0.00 C ATOM 262 O3' DT B 1 -8.530 -0.542 -8.119 1.00 0.00 O ATOM 263 C2' DT B 1 -8.745 -2.959 -8.296 1.00 0.00 C ATOM 264 C1' DT B 1 -9.362 -2.893 -9.686 1.00 0.00 C ATOM 265 N1 DT B 1 -9.808 -4.240 -10.110 1.00 0.00 N ATOM 266 C2 DT B 1 -11.171 -4.476 -10.203 1.00 0.00 C ATOM 267 O2 DT B 1 -12.032 -3.627 -10.016 1.00 0.00 O ATOM 268 N3 DT B 1 -11.557 -5.750 -10.530 1.00 0.00 N ATOM 269 C4 DT B 1 -10.718 -6.810 -10.763 1.00 0.00 C ATOM 270 O4 DT B 1 -11.212 -7.898 -11.032 1.00 0.00 O ATOM 271 C5 DT B 1 -9.298 -6.500 -10.661 1.00 0.00 C ATOM 272 C7 DT B 1 -8.240 -7.574 -10.873 1.00 0.00 C ATOM 273 C6 DT B 1 -8.897 -5.244 -10.345 1.00 0.00 C ATOM 0 H5' DT B 1 -5.886 -2.627 -11.100 1.00 0.00 H new ATOM 0 H5'' DT B 1 -5.192 -1.688 -9.793 1.00 0.00 H new ATOM 0 H4' DT B 1 -7.219 -0.696 -10.068 1.00 0.00 H new ATOM 0 H3' DT B 1 -7.054 -1.814 -7.558 1.00 0.00 H new ATOM 0 H2' DT B 1 -8.198 -3.888 -8.132 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.495 -2.887 -7.509 1.00 0.00 H new ATOM 0 H1' DT B 1 -10.232 -2.237 -9.705 1.00 0.00 H new ATOM 0 H3 DT B 1 -12.559 -5.926 -10.607 1.00 0.00 H new ATOM 0 H71 DT B 1 -7.336 -7.119 -11.277 1.00 0.00 H new ATOM 0 H72 DT B 1 -8.011 -8.052 -9.921 1.00 0.00 H new ATOM 0 H73 DT B 1 -8.615 -8.321 -11.573 1.00 0.00 H new ATOM 0 H6 DT B 1 -7.841 -5.027 -10.276 1.00 0.00 H new ATOM 286 P DG B 2 -9.159 -0.171 -6.703 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.451 -0.863 -6.544 1.00 0.00 O ATOM 288 OP2 DG B 2 -9.093 1.303 -6.529 1.00 0.00 O ATOM 289 O5' DG B 2 -8.080 -0.821 -5.704 1.00 0.00 O ATOM 290 C5' DG B 2 -8.442 -1.602 -4.583 1.00 0.00 C ATOM 291 C4' DG B 2 -8.076 -0.893 -3.283 1.00 0.00 C ATOM 292 O4' DG B 2 -6.712 -1.188 -3.098 1.00 0.00 O ATOM 293 C3' DG B 2 -8.266 0.623 -3.343 1.00 0.00 C ATOM 294 O3' DG B 2 -8.784 1.109 -2.126 1.00 0.00 O ATOM 295 C2' DG B 2 -6.860 1.120 -3.681 1.00 0.00 C ATOM 296 C1' DG B 2 -5.943 -0.034 -3.283 1.00 0.00 C ATOM 297 N9 DG B 2 -4.871 -0.279 -4.263 1.00 0.00 N ATOM 298 C8 DG B 2 -4.891 -0.311 -5.640 1.00 0.00 C ATOM 299 N7 DG B 2 -3.732 -0.603 -6.174 1.00 0.00 N ATOM 300 C5 DG B 2 -2.897 -0.784 -5.065 1.00 0.00 C ATOM 301 C6 DG B 2 -1.527 -1.165 -4.966 1.00 0.00 C ATOM 302 O6 DG B 2 -0.783 -1.485 -5.890 1.00 0.00 O ATOM 303 N1 DG B 2 -1.059 -1.200 -3.673 1.00 0.00 N ATOM 304 C2 DG B 2 -1.837 -0.966 -2.585 1.00 0.00 C ATOM 305 N2 DG B 2 -1.282 -1.055 -1.404 1.00 0.00 N ATOM 306 N3 DG B 2 -3.122 -0.661 -2.638 1.00 0.00 N ATOM 307 C4 DG B 2 -3.589 -0.584 -3.905 1.00 0.00 C ATOM 0 H5' DG B 2 -7.938 -2.567 -4.630 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.514 -1.801 -4.604 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.721 -1.231 -2.472 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.994 0.969 -4.077 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.766 1.355 -4.741 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.617 2.029 -3.130 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.448 0.242 -2.352 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.778 -0.114 -6.223 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.073 -1.414 -3.523 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.837 -0.885 -0.565 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.294 -1.294 -1.322 1.00 0.00 H new ATOM 319 P DC B 3 -9.012 2.672 -1.902 1.00 0.00 P ATOM 320 OP1 DC B 3 -9.985 2.905 -0.808 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.208 3.320 -3.221 1.00 0.00 O ATOM 322 O5' DC B 3 -7.593 3.087 -1.322 1.00 0.00 O ATOM 323 C5' DC B 3 -7.091 2.407 -0.188 1.00 0.00 C ATOM 324 C4' DC B 3 -5.657 2.772 0.150 1.00 0.00 C ATOM 325 O4' DC B 3 -4.840 2.161 -0.815 1.00 0.00 O ATOM 326 C3' DC B 3 -5.394 4.275 0.074 1.00 0.00 C ATOM 327 O3' DC B 3 -5.257 4.847 1.351 1.00 0.00 O ATOM 328 C2' DC B 3 -4.051 4.338 -0.621 1.00 0.00 C ATOM 329 C1' DC B 3 -3.647 2.882 -0.822 1.00 0.00 C ATOM 330 N1 DC B 3 -3.039 2.676 -2.143 1.00 0.00 N ATOM 331 C2 DC B 3 -1.755 2.191 -2.214 1.00 0.00 C ATOM 332 O2 DC B 3 -1.177 1.855 -1.192 1.00 0.00 O ATOM 333 N3 DC B 3 -1.133 2.085 -3.416 1.00 0.00 N ATOM 334 C4 DC B 3 -1.796 2.443 -4.506 1.00 0.00 C ATOM 335 N4 DC B 3 -1.166 2.317 -5.650 1.00 0.00 N ATOM 336 C5 DC B 3 -3.133 2.933 -4.472 1.00 0.00 C ATOM 337 C6 DC B 3 -3.716 3.016 -3.267 1.00 0.00 C ATOM 0 H5' DC B 3 -7.153 1.333 -0.361 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.726 2.629 0.670 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.454 2.444 1.170 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.204 4.809 -0.423 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.123 4.864 -1.573 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.318 4.872 -0.017 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.935 2.582 -0.054 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.631 2.578 -6.520 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.212 1.958 -5.670 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.652 3.224 -5.373 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.738 3.358 -3.191 1.00 0.00 H new ATOM 349 P DT B 4 -6.501 5.485 2.121 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.764 4.824 1.723 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.378 6.955 1.967 1.00 0.00 O ATOM 352 O5' DT B 4 -6.196 5.128 3.641 1.00 0.00 O ATOM 353 C5' DT B 4 -6.399 3.839 4.195 1.00 0.00 C ATOM 354 C4' DT B 4 -5.830 3.850 5.610 1.00 0.00 C ATOM 355 O4' DT B 4 -4.467 3.496 5.546 1.00 0.00 O ATOM 356 C3' DT B 4 -5.976 5.198 6.330 1.00 0.00 C ATOM 357 O3' DT B 4 -6.404 5.050 7.668 1.00 0.00 O ATOM 358 C2' DT B 4 -4.545 5.710 6.301 1.00 0.00 C ATOM 359 C1' DT B 4 -3.704 4.437 6.254 1.00 0.00 C ATOM 360 N1 DT B 4 -2.435 4.638 5.519 1.00 0.00 N ATOM 361 C2 DT B 4 -1.323 4.997 6.262 1.00 0.00 C ATOM 362 O2 DT B 4 -1.346 5.179 7.471 1.00 0.00 O ATOM 363 N3 DT B 4 -0.152 5.178 5.573 1.00 0.00 N ATOM 364 C4 DT B 4 0.015 5.020 4.221 1.00 0.00 C ATOM 365 O4 DT B 4 1.125 5.213 3.738 1.00 0.00 O ATOM 366 C5 DT B 4 -1.186 4.636 3.494 1.00 0.00 C ATOM 367 C7 DT B 4 -1.139 4.428 1.989 1.00 0.00 C ATOM 368 C6 DT B 4 -2.357 4.463 4.154 1.00 0.00 C ATOM 0 H5' DT B 4 -5.904 3.080 3.589 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.461 3.592 4.211 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.407 3.133 6.194 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.716 5.850 5.867 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.364 6.342 5.431 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.316 6.308 7.183 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.456 4.124 7.268 1.00 0.00 H new ATOM 0 H3 DT B 4 0.668 5.455 6.114 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.880 3.682 1.701 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.357 5.369 1.485 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.146 4.083 1.700 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.242 4.184 3.602 1.00 0.00 H new ATOM 381 P DC B 5 -7.958 4.867 8.029 1.00 0.00 P ATOM 382 OP1 DC B 5 -8.812 5.304 6.902 1.00 0.00 O ATOM 383 OP2 DC B 5 -8.205 5.401 9.388 1.00 0.00 O ATOM 384 O5' DC B 5 -8.278 3.314 8.035 1.00 0.00 O ATOM 385 C5' DC B 5 -7.943 2.445 9.092 1.00 0.00 C ATOM 386 C4' DC B 5 -8.752 1.197 8.752 1.00 0.00 C ATOM 387 O4' DC B 5 -8.616 0.274 9.818 1.00 0.00 O ATOM 388 C3' DC B 5 -8.109 0.513 7.545 1.00 0.00 C ATOM 389 O3' DC B 5 -9.008 -0.389 6.948 1.00 0.00 O ATOM 390 C2' DC B 5 -7.054 -0.381 8.207 1.00 0.00 C ATOM 391 C1' DC B 5 -7.317 -0.276 9.714 1.00 0.00 C ATOM 392 N1 DC B 5 -7.304 -1.600 10.375 1.00 0.00 N ATOM 393 C2 DC B 5 -6.422 -1.827 11.423 1.00 0.00 C ATOM 394 O2 DC B 5 -5.625 -0.966 11.776 1.00 0.00 O ATOM 395 N3 DC B 5 -6.449 -3.020 12.062 1.00 0.00 N ATOM 396 C4 DC B 5 -7.308 -3.945 11.686 1.00 0.00 C ATOM 397 N4 DC B 5 -7.281 -5.073 12.357 1.00 0.00 N ATOM 398 C5 DC B 5 -8.236 -3.754 10.626 1.00 0.00 C ATOM 399 C6 DC B 5 -8.198 -2.559 9.999 1.00 0.00 C ATOM 0 H5' DC B 5 -8.220 2.858 10.062 1.00 0.00 H new ATOM 0 H5'' DC B 5 -6.873 2.240 9.127 1.00 0.00 H new ATOM 0 H4' DC B 5 -9.790 1.475 8.568 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.764 1.235 6.805 1.00 0.00 H new ATOM 0 H2' DC B 5 -7.142 -1.412 7.864 1.00 0.00 H new ATOM 0 H2'' DC B 5 -6.046 -0.048 7.960 1.00 0.00 H new ATOM 0 H1' DC B 5 -6.546 0.324 10.197 1.00 0.00 H new ATOM 0 H41 DC B 5 -7.923 -5.827 12.112 1.00 0.00 H new ATOM 0 H42 DC B 5 -6.618 -5.195 13.123 1.00 0.00 H new ATOM 0 H5 DC B 5 -8.935 -4.525 10.337 1.00 0.00 H new ATOM 0 H6 DC B 5 -8.884 -2.360 9.189 1.00 0.00 H new ATOM 411 P DG B 6 -9.950 0.148 5.775 1.00 0.00 P ATOM 412 OP1 DG B 6 -10.611 1.408 6.202 1.00 0.00 O ATOM 413 OP2 DG B 6 -10.714 -0.992 5.204 1.00 0.00 O ATOM 414 O5' DG B 6 -8.866 0.580 4.692 1.00 0.00 O ATOM 415 C5' DG B 6 -9.244 1.242 3.501 1.00 0.00 C ATOM 416 C4' DG B 6 -8.460 0.647 2.335 1.00 0.00 C ATOM 417 O4' DG B 6 -7.120 1.059 2.516 1.00 0.00 O ATOM 418 C3' DG B 6 -8.536 -0.878 2.347 1.00 0.00 C ATOM 419 O3' DG B 6 -8.978 -1.387 1.107 1.00 0.00 O ATOM 420 C2' DG B 6 -7.135 -1.298 2.781 1.00 0.00 C ATOM 421 C1' DG B 6 -6.268 -0.057 2.569 1.00 0.00 C ATOM 422 N9 DG B 6 -5.321 0.125 3.679 1.00 0.00 N ATOM 423 C8 DG B 6 -5.548 0.043 5.025 1.00 0.00 C ATOM 424 N7 DG B 6 -4.496 0.277 5.760 1.00 0.00 N ATOM 425 C5 DG B 6 -3.501 0.571 4.821 1.00 0.00 C ATOM 426 C6 DG B 6 -2.133 0.952 4.971 1.00 0.00 C ATOM 427 O6 DG B 6 -1.491 1.136 5.999 1.00 0.00 O ATOM 428 N1 DG B 6 -1.488 1.143 3.769 1.00 0.00 N ATOM 429 C2 DG B 6 -2.081 0.983 2.559 1.00 0.00 C ATOM 430 N2 DG B 6 -1.339 1.176 1.500 1.00 0.00 N ATOM 431 N3 DG B 6 -3.353 0.661 2.380 1.00 0.00 N ATOM 432 C4 DG B 6 -4.006 0.473 3.550 1.00 0.00 C ATOM 0 H5' DG B 6 -9.044 2.310 3.584 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.315 1.130 3.331 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.867 0.983 1.381 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.279 -1.290 3.030 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.123 -1.615 3.824 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.773 -2.138 2.188 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.698 -0.171 1.647 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.515 -0.195 5.443 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.507 1.421 3.790 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.741 1.067 0.569 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.358 1.435 1.605 1.00 0.00 H new ATOM 444 P DC B 7 -9.165 -2.960 0.908 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.968 -3.249 -0.305 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.573 -3.520 2.224 1.00 0.00 O ATOM 447 O5' DC B 7 -7.676 -3.382 0.527 1.00 0.00 O ATOM 448 C5' DC B 7 -7.043 -2.706 -0.550 1.00 0.00 C ATOM 449 C4' DC B 7 -5.566 -3.005 -0.706 1.00 0.00 C ATOM 450 O4' DC B 7 -4.916 -2.361 0.360 1.00 0.00 O ATOM 451 C3' DC B 7 -5.226 -4.491 -0.615 1.00 0.00 C ATOM 452 O3' DC B 7 -4.863 -5.023 -1.860 1.00 0.00 O ATOM 453 C2' DC B 7 -3.989 -4.493 0.255 1.00 0.00 C ATOM 454 C1' DC B 7 -3.704 -3.021 0.534 1.00 0.00 C ATOM 455 N1 DC B 7 -3.319 -2.825 1.939 1.00 0.00 N ATOM 456 C2 DC B 7 -2.105 -2.251 2.231 1.00 0.00 C ATOM 457 O2 DC B 7 -1.406 -1.814 1.326 1.00 0.00 O ATOM 458 N3 DC B 7 -1.686 -2.164 3.522 1.00 0.00 N ATOM 459 C4 DC B 7 -2.486 -2.622 4.478 1.00 0.00 C ATOM 460 N4 DC B 7 -2.061 -2.525 5.715 1.00 0.00 N ATOM 461 C5 DC B 7 -3.761 -3.196 4.212 1.00 0.00 C ATOM 462 C6 DC B 7 -4.137 -3.264 2.928 1.00 0.00 C ATOM 0 H5' DC B 7 -7.170 -1.632 -0.411 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.553 -2.970 -1.476 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.256 -2.665 -1.694 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.069 -5.076 -0.247 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.157 -5.045 1.180 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.150 -4.969 -0.252 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.905 -2.663 -0.116 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.642 -2.864 6.482 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.149 -2.111 5.910 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.395 -3.559 5.007 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.104 -3.674 2.677 1.00 0.00 H new ATOM 474 P DT B 8 -5.936 -5.717 -2.812 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.237 -5.007 -2.698 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.887 -7.171 -2.578 1.00 0.00 O ATOM 477 O5' DT B 8 -5.279 -5.394 -4.233 1.00 0.00 O ATOM 478 C5' DT B 8 -5.511 -4.176 -4.913 1.00 0.00 C ATOM 479 C4' DT B 8 -4.684 -4.140 -6.213 1.00 0.00 C ATOM 480 O4' DT B 8 -3.341 -3.742 -5.946 1.00 0.00 O ATOM 481 C3' DT B 8 -4.630 -5.518 -6.912 1.00 0.00 C ATOM 482 O3' DT B 8 -4.679 -5.600 -8.333 1.00 0.00 O ATOM 483 C2' DT B 8 -3.290 -6.061 -6.434 1.00 0.00 C ATOM 484 C1' DT B 8 -2.460 -4.792 -6.312 1.00 0.00 C ATOM 485 N1 DT B 8 -1.349 -4.888 -5.339 1.00 0.00 N ATOM 486 C2 DT B 8 -0.086 -5.170 -5.837 1.00 0.00 C ATOM 487 O2 DT B 8 0.142 -5.437 -7.009 1.00 0.00 O ATOM 488 N3 DT B 8 0.957 -5.127 -4.952 1.00 0.00 N ATOM 489 C4 DT B 8 0.860 -4.827 -3.619 1.00 0.00 C ATOM 490 O4 DT B 8 1.886 -4.809 -2.947 1.00 0.00 O ATOM 491 C5 DT B 8 -0.490 -4.554 -3.151 1.00 0.00 C ATOM 492 C7 DT B 8 -0.731 -4.213 -1.694 1.00 0.00 C ATOM 493 C6 DT B 8 -1.540 -4.593 -4.010 1.00 0.00 C ATOM 0 H5' DT B 8 -5.240 -3.335 -4.275 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.572 -4.073 -5.143 1.00 0.00 H new ATOM 0 H4' DT B 8 -5.181 -3.423 -6.866 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.542 -6.055 -6.651 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.378 -6.584 -5.482 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.858 -6.765 -7.145 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.981 -4.609 -7.274 1.00 0.00 H new ATOM 0 H3 DT B 8 1.886 -5.336 -5.316 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.596 -3.555 -1.613 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.917 -5.128 -1.132 1.00 0.00 H new ATOM 0 H73 DT B 8 0.147 -3.710 -1.288 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.536 -4.390 -3.646 1.00 0.00 H new TER 506 DT B 8