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= -2.63! (180deg=-5.49!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.596 (180deg=-0.167) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -3.21! (180deg=-4.41!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.503 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.955 3.295 -9.856 1.00 0.00 P ATOM 2 OP1 DC A 1 5.200 3.150 -11.119 1.00 0.00 O ATOM 3 OP2 DC A 1 6.637 4.571 -9.544 1.00 0.00 O ATOM 4 O5' DC A 1 7.033 2.103 -9.759 1.00 0.00 O ATOM 5 C5' DC A 1 6.773 0.827 -10.309 1.00 0.00 C ATOM 6 C4' DC A 1 7.969 -0.106 -10.091 1.00 0.00 C ATOM 7 O4' DC A 1 9.154 0.569 -10.474 1.00 0.00 O ATOM 8 C3' DC A 1 8.124 -0.601 -8.643 1.00 0.00 C ATOM 9 O3' DC A 1 8.090 -2.025 -8.710 1.00 0.00 O ATOM 10 C2' DC A 1 9.441 0.025 -8.200 1.00 0.00 C ATOM 11 C1' DC A 1 10.158 0.349 -9.507 1.00 0.00 C ATOM 12 N1 DC A 1 10.952 1.596 -9.361 1.00 0.00 N ATOM 13 C2 DC A 1 12.329 1.570 -9.588 1.00 0.00 C ATOM 14 O2 DC A 1 12.904 0.531 -9.904 1.00 0.00 O ATOM 15 N3 DC A 1 13.031 2.731 -9.452 1.00 0.00 N ATOM 16 C4 DC A 1 12.419 3.871 -9.111 1.00 0.00 C ATOM 17 N4 DC A 1 13.158 4.975 -8.986 1.00 0.00 N ATOM 18 C5 DC A 1 11.005 3.924 -8.878 1.00 0.00 C ATOM 19 C6 DC A 1 10.320 2.765 -9.018 1.00 0.00 C ATOM 0 H5' DC A 1 6.566 0.919 -11.375 1.00 0.00 H new ATOM 0 H5'' DC A 1 5.883 0.400 -9.847 1.00 0.00 H new ATOM 0 H4' DC A 1 7.787 -0.990 -10.703 1.00 0.00 H new ATOM 0 H3' DC A 1 7.357 -0.325 -7.919 1.00 0.00 H new ATOM 0 H2' DC A 1 9.275 0.922 -7.604 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.023 -0.663 -7.586 1.00 0.00 H new ATOM 0 H1' DC A 1 10.829 -0.463 -9.787 1.00 0.00 H new ATOM 0 H41 DC A 1 12.717 5.857 -8.727 1.00 0.00 H new ATOM 0 H42 DC A 1 14.164 4.936 -9.149 1.00 0.00 H new ATOM 0 H5 DC A 1 10.511 4.844 -8.604 1.00 0.00 H new ATOM 0 H6 DC A 1 9.252 2.760 -8.856 1.00 0.00 H new ATOM 31 P DC A 2 8.568 -3.067 -7.558 1.00 0.00 P ATOM 32 OP1 DC A 2 10.044 -3.020 -7.476 1.00 0.00 O ATOM 33 OP2 DC A 2 7.918 -4.358 -7.875 1.00 0.00 O ATOM 34 O5' DC A 2 7.957 -2.582 -6.139 1.00 0.00 O ATOM 35 C5' DC A 2 8.595 -1.603 -5.344 1.00 0.00 C ATOM 36 C4' DC A 2 8.081 -1.534 -3.900 1.00 0.00 C ATOM 37 O4' DC A 2 6.961 -0.711 -3.691 1.00 0.00 O ATOM 38 C3' DC A 2 7.874 -2.854 -3.152 1.00 0.00 C ATOM 39 O3' DC A 2 8.521 -2.743 -1.893 1.00 0.00 O ATOM 40 C2' DC A 2 6.360 -2.909 -3.050 1.00 0.00 C ATOM 41 C1' DC A 2 5.954 -1.438 -3.024 1.00 0.00 C ATOM 42 N1 DC A 2 4.758 -1.245 -3.844 1.00 0.00 N ATOM 43 C2 DC A 2 3.640 -0.668 -3.278 1.00 0.00 C ATOM 44 O2 DC A 2 3.584 -0.497 -2.067 1.00 0.00 O ATOM 45 N3 DC A 2 2.620 -0.290 -4.090 1.00 0.00 N ATOM 46 C4 DC A 2 2.684 -0.511 -5.407 1.00 0.00 C ATOM 47 N4 DC A 2 1.709 -0.008 -6.161 1.00 0.00 N ATOM 48 C5 DC A 2 3.837 -1.123 -6.014 1.00 0.00 C ATOM 49 C6 DC A 2 4.858 -1.443 -5.187 1.00 0.00 C ATOM 0 H5' DC A 2 8.462 -0.628 -5.812 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.666 -1.806 -5.328 1.00 0.00 H new ATOM 0 H4' DC A 2 8.957 -1.062 -3.454 1.00 0.00 H new ATOM 0 H3' DC A 2 8.278 -3.754 -3.615 1.00 0.00 H new ATOM 0 H2' DC A 2 5.919 -3.433 -3.898 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.037 -3.431 -2.150 1.00 0.00 H new ATOM 0 H1' DC A 2 5.794 -1.127 -1.992 1.00 0.00 H new ATOM 0 H41 DC A 2 1.719 -0.153 -7.171 1.00 0.00 H new ATOM 0 H42 DC A 2 0.952 0.522 -5.729 1.00 0.00 H new ATOM 0 H5 DC A 2 3.884 -1.317 -7.075 1.00 0.00 H new ATOM 0 H6 DC A 2 5.765 -1.861 -5.598 1.00 0.00 H new ATOM 61 P DG A 3 8.534 -3.929 -0.800 1.00 0.00 P ATOM 62 OP1 DG A 3 9.635 -3.664 0.153 1.00 0.00 O ATOM 63 OP2 DG A 3 8.479 -5.223 -1.516 1.00 0.00 O ATOM 64 O5' DG A 3 7.137 -3.723 -0.028 1.00 0.00 O ATOM 65 C5' DG A 3 6.881 -2.581 0.774 1.00 0.00 C ATOM 66 C4' DG A 3 5.402 -2.565 1.176 1.00 0.00 C ATOM 67 O4' DG A 3 4.674 -2.458 -0.022 1.00 0.00 O ATOM 68 C3' DG A 3 4.950 -3.872 1.831 1.00 0.00 C ATOM 69 O3' DG A 3 4.759 -3.728 3.222 1.00 0.00 O ATOM 70 C2' DG A 3 3.567 -4.059 1.229 1.00 0.00 C ATOM 71 C1' DG A 3 3.379 -2.910 0.252 1.00 0.00 C ATOM 72 N9 DG A 3 2.770 -3.337 -1.022 1.00 0.00 N ATOM 73 C8 DG A 3 3.334 -4.165 -1.950 1.00 0.00 C ATOM 74 N7 DG A 3 2.753 -4.137 -3.117 1.00 0.00 N ATOM 75 C5 DG A 3 1.681 -3.268 -2.927 1.00 0.00 C ATOM 76 C6 DG A 3 0.673 -2.827 -3.840 1.00 0.00 C ATOM 77 O6 DG A 3 0.596 -3.051 -5.043 1.00 0.00 O ATOM 78 N1 DG A 3 -0.311 -2.062 -3.222 1.00 0.00 N ATOM 79 C2 DG A 3 -0.288 -1.702 -1.895 1.00 0.00 C ATOM 80 N2 DG A 3 -1.356 -1.034 -1.462 1.00 0.00 N ATOM 81 N3 DG A 3 0.694 -2.050 -1.051 1.00 0.00 N ATOM 82 C4 DG A 3 1.642 -2.834 -1.623 1.00 0.00 C ATOM 0 H5' DG A 3 7.130 -1.673 0.224 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.511 -2.598 1.663 1.00 0.00 H new ATOM 0 H4' DG A 3 5.245 -1.751 1.884 1.00 0.00 H new ATOM 0 H3' DG A 3 5.672 -4.674 1.676 1.00 0.00 H new ATOM 0 H2' DG A 3 3.489 -5.020 0.721 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.799 -4.044 2.002 1.00 0.00 H new ATOM 0 H1' DG A 3 2.717 -2.160 0.685 1.00 0.00 H new ATOM 0 H8 DG A 3 4.188 -4.790 -1.736 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.099 -1.748 -3.789 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.410 -0.734 -0.489 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.120 -0.823 -2.104 1.00 0.00 H new ATOM 94 P DT A 4 5.790 -4.381 4.269 1.00 0.00 P ATOM 95 OP1 DT A 4 7.008 -3.544 4.334 1.00 0.00 O ATOM 96 OP2 DT A 4 5.895 -5.828 3.981 1.00 0.00 O ATOM 97 O5' DT A 4 4.962 -4.206 5.631 1.00 0.00 O ATOM 98 C5' DT A 4 4.866 -2.952 6.270 1.00 0.00 C ATOM 99 C4' DT A 4 3.642 -2.929 7.186 1.00 0.00 C ATOM 100 O4' DT A 4 2.473 -2.935 6.384 1.00 0.00 O ATOM 101 C3' DT A 4 3.581 -4.158 8.098 1.00 0.00 C ATOM 102 O3' DT A 4 3.180 -3.753 9.394 1.00 0.00 O ATOM 103 C2' DT A 4 2.474 -4.985 7.459 1.00 0.00 C ATOM 104 C1' DT A 4 1.576 -3.877 6.932 1.00 0.00 C ATOM 105 N1 DT A 4 0.616 -4.402 5.938 1.00 0.00 N ATOM 106 C2 DT A 4 -0.672 -4.719 6.362 1.00 0.00 C ATOM 107 O2 DT A 4 -1.044 -4.611 7.529 1.00 0.00 O ATOM 108 N3 DT A 4 -1.544 -5.174 5.387 1.00 0.00 N ATOM 109 C4 DT A 4 -1.237 -5.353 4.047 1.00 0.00 C ATOM 110 O4 DT A 4 -2.113 -5.722 3.268 1.00 0.00 O ATOM 111 C5 DT A 4 0.147 -5.070 3.701 1.00 0.00 C ATOM 112 C7 DT A 4 0.600 -5.251 2.265 1.00 0.00 C ATOM 113 C6 DT A 4 1.014 -4.608 4.643 1.00 0.00 C ATOM 0 H5' DT A 4 4.789 -2.159 5.526 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.769 -2.759 6.849 1.00 0.00 H new ATOM 0 H4' DT A 4 3.712 -2.035 7.806 1.00 0.00 H new ATOM 0 H3' DT A 4 4.528 -4.690 8.195 1.00 0.00 H new ATOM 0 H2' DT A 4 2.845 -5.632 6.664 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.965 -5.625 8.180 1.00 0.00 H new ATOM 0 H1' DT A 4 0.952 -3.427 7.704 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.495 -5.397 5.680 1.00 0.00 H new ATOM 0 H71 DT A 4 0.013 -6.040 1.795 1.00 0.00 H new ATOM 0 H72 DT A 4 0.459 -4.318 1.719 1.00 0.00 H new ATOM 0 H73 DT A 4 1.655 -5.525 2.248 1.00 0.00 H new ATOM 0 H6 DT A 4 2.036 -4.400 4.364 1.00 0.00 H new ATOM 126 P DC A 5 3.972 -4.238 10.707 1.00 0.00 P ATOM 127 OP1 DC A 5 4.283 -5.678 10.554 1.00 0.00 O ATOM 128 OP2 DC A 5 3.229 -3.770 11.897 1.00 0.00 O ATOM 129 O5' DC A 5 5.355 -3.412 10.602 1.00 0.00 O ATOM 130 C5' DC A 5 5.519 -2.136 11.194 1.00 0.00 C ATOM 131 C4' DC A 5 6.962 -1.655 10.989 1.00 0.00 C ATOM 132 O4' DC A 5 7.846 -2.692 11.378 1.00 0.00 O ATOM 133 C3' DC A 5 7.269 -1.287 9.533 1.00 0.00 C ATOM 134 O3' DC A 5 7.797 0.029 9.448 1.00 0.00 O ATOM 135 C2' DC A 5 8.352 -2.264 9.108 1.00 0.00 C ATOM 136 C1' DC A 5 8.890 -2.803 10.431 1.00 0.00 C ATOM 137 N1 DC A 5 9.261 -4.235 10.285 1.00 0.00 N ATOM 138 C2 DC A 5 10.585 -4.630 10.482 1.00 0.00 C ATOM 139 O2 DC A 5 11.453 -3.818 10.793 1.00 0.00 O ATOM 140 N3 DC A 5 10.902 -5.945 10.317 1.00 0.00 N ATOM 141 C4 DC A 5 9.969 -6.842 9.972 1.00 0.00 C ATOM 142 N4 DC A 5 10.339 -8.113 9.811 1.00 0.00 N ATOM 143 C5 DC A 5 8.602 -6.460 9.765 1.00 0.00 C ATOM 144 C6 DC A 5 8.300 -5.152 9.935 1.00 0.00 C ATOM 0 H5' DC A 5 5.289 -2.186 12.258 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.822 -1.426 10.750 1.00 0.00 H new ATOM 0 H4' DC A 5 7.091 -0.757 11.593 1.00 0.00 H new ATOM 0 H3' DC A 5 6.373 -1.331 8.914 1.00 0.00 H new ATOM 0 H2' DC A 5 7.949 -3.062 8.484 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.133 -1.770 8.529 1.00 0.00 H new ATOM 0 H1' DC A 5 9.773 -2.245 10.741 1.00 0.00 H new ATOM 0 H41 DC A 5 9.648 -8.816 9.548 1.00 0.00 H new ATOM 0 H42 DC A 5 11.313 -8.382 9.950 1.00 0.00 H new ATOM 0 H5 DC A 5 7.849 -7.182 9.487 1.00 0.00 H new ATOM 0 H6 DC A 5 7.282 -4.822 9.792 1.00 0.00 H new ATOM 156 P DC A 6 6.932 1.268 8.875 1.00 0.00 P ATOM 157 OP1 DC A 6 7.464 2.509 9.480 1.00 0.00 O ATOM 158 OP2 DC A 6 5.498 0.939 9.024 1.00 0.00 O ATOM 159 O5' DC A 6 7.285 1.303 7.292 1.00 0.00 O ATOM 160 C5' DC A 6 7.694 0.135 6.603 1.00 0.00 C ATOM 161 C4' DC A 6 7.582 0.197 5.072 1.00 0.00 C ATOM 162 O4' DC A 6 6.458 -0.479 4.546 1.00 0.00 O ATOM 163 C3' DC A 6 7.676 1.555 4.375 1.00 0.00 C ATOM 164 O3' DC A 6 8.479 1.373 3.218 1.00 0.00 O ATOM 165 C2' DC A 6 6.215 1.828 4.059 1.00 0.00 C ATOM 166 C1' DC A 6 5.612 0.435 3.880 1.00 0.00 C ATOM 167 N1 DC A 6 4.313 0.367 4.559 1.00 0.00 N ATOM 168 C2 DC A 6 3.183 0.043 3.834 1.00 0.00 C ATOM 169 O2 DC A 6 3.239 -0.058 2.617 1.00 0.00 O ATOM 170 N3 DC A 6 2.017 -0.159 4.501 1.00 0.00 N ATOM 171 C4 DC A 6 1.958 0.002 5.827 1.00 0.00 C ATOM 172 N4 DC A 6 0.820 -0.312 6.440 1.00 0.00 N ATOM 173 C5 DC A 6 3.117 0.363 6.596 1.00 0.00 C ATOM 174 C6 DC A 6 4.273 0.505 5.911 1.00 0.00 C ATOM 0 H5' DC A 6 7.097 -0.704 6.960 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.730 -0.077 6.866 1.00 0.00 H new ATOM 0 H4' DC A 6 8.511 -0.322 4.835 1.00 0.00 H new ATOM 0 H3' DC A 6 8.126 2.377 4.932 1.00 0.00 H new ATOM 0 H2' DC A 6 5.727 2.374 4.866 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.107 2.429 3.156 1.00 0.00 H new ATOM 0 H1' DC A 6 5.503 0.215 2.818 1.00 0.00 H new ATOM 0 H41 DC A 6 0.738 -0.202 7.451 1.00 0.00 H new ATOM 0 H42 DC A 6 0.029 -0.663 5.899 1.00 0.00 H new ATOM 0 H5 DC A 6 3.067 0.513 7.664 1.00 0.00 H new ATOM 0 H6 DC A 6 5.182 0.732 6.448 1.00 0.00 H new ATOM 186 P DG A 7 8.821 2.562 2.184 1.00 0.00 P ATOM 187 OP1 DG A 7 10.010 2.163 1.398 1.00 0.00 O ATOM 188 OP2 DG A 7 8.830 3.841 2.928 1.00 0.00 O ATOM 189 O5' DG A 7 7.544 2.559 1.205 1.00 0.00 O ATOM 190 C5' DG A 7 7.254 1.472 0.343 1.00 0.00 C ATOM 191 C4' DG A 7 5.876 1.694 -0.293 1.00 0.00 C ATOM 192 O4' DG A 7 4.955 1.705 0.769 1.00 0.00 O ATOM 193 C3' DG A 7 5.761 3.061 -0.973 1.00 0.00 C ATOM 194 O3' DG A 7 5.716 2.944 -2.376 1.00 0.00 O ATOM 195 C2' DG A 7 4.380 3.525 -0.545 1.00 0.00 C ATOM 196 C1' DG A 7 3.830 2.408 0.326 1.00 0.00 C ATOM 197 N9 DG A 7 3.126 2.912 1.517 1.00 0.00 N ATOM 198 C8 DG A 7 3.683 3.625 2.538 1.00 0.00 C ATOM 199 N7 DG A 7 2.957 3.662 3.622 1.00 0.00 N ATOM 200 C5 DG A 7 1.797 2.976 3.263 1.00 0.00 C ATOM 201 C6 DG A 7 0.621 2.679 4.019 1.00 0.00 C ATOM 202 O6 DG A 7 0.420 2.879 5.213 1.00 0.00 O ATOM 203 N1 DG A 7 -0.381 2.100 3.247 1.00 0.00 N ATOM 204 C2 DG A 7 -0.234 1.769 1.921 1.00 0.00 C ATOM 205 N2 DG A 7 -1.333 1.313 1.322 1.00 0.00 N ATOM 206 N3 DG A 7 0.895 1.964 1.227 1.00 0.00 N ATOM 207 C4 DG A 7 1.866 2.579 1.949 1.00 0.00 C ATOM 0 H5' DG A 7 7.265 0.536 0.901 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.017 1.391 -0.431 1.00 0.00 H new ATOM 0 H4' DG A 7 5.703 0.918 -1.038 1.00 0.00 H new ATOM 0 H3' DG A 7 6.598 3.709 -0.712 1.00 0.00 H new ATOM 0 H2' DG A 7 4.435 4.463 0.007 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.739 3.701 -1.409 1.00 0.00 H new ATOM 0 H1' DG A 7 3.118 1.813 -0.246 1.00 0.00 H new ATOM 0 H8 DG A 7 4.641 4.116 2.456 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.279 1.910 3.692 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.304 1.046 0.338 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.203 1.231 1.847 1.00 0.00 H new ATOM 219 P DT A 8 7.028 3.171 -3.272 1.00 0.00 P ATOM 220 OP1 DT A 8 7.950 2.030 -3.087 1.00 0.00 O ATOM 221 OP2 DT A 8 7.504 4.556 -3.063 1.00 0.00 O ATOM 222 O5' DT A 8 6.368 3.083 -4.729 1.00 0.00 O ATOM 223 C5' DT A 8 5.957 1.847 -5.276 1.00 0.00 C ATOM 224 C4' DT A 8 4.929 2.071 -6.386 1.00 0.00 C ATOM 225 O4' DT A 8 3.679 2.393 -5.800 1.00 0.00 O ATOM 226 C3' DT A 8 5.318 3.237 -7.297 1.00 0.00 C ATOM 227 O3' DT A 8 4.982 2.918 -8.635 1.00 0.00 O ATOM 228 C2' DT A 8 4.395 4.350 -6.819 1.00 0.00 C ATOM 229 C1' DT A 8 3.167 3.522 -6.473 1.00 0.00 C ATOM 230 N1 DT A 8 2.210 4.286 -5.646 1.00 0.00 N ATOM 231 C2 DT A 8 1.100 4.849 -6.270 1.00 0.00 C ATOM 232 O2 DT A 8 0.911 4.806 -7.483 1.00 0.00 O ATOM 233 N3 DT A 8 0.187 5.479 -5.441 1.00 0.00 N ATOM 234 C4 DT A 8 0.293 5.601 -4.067 1.00 0.00 C ATOM 235 O4 DT A 8 -0.600 6.164 -3.440 1.00 0.00 O ATOM 236 C5 DT A 8 1.504 5.024 -3.497 1.00 0.00 C ATOM 237 C7 DT A 8 1.694 5.063 -1.993 1.00 0.00 C ATOM 238 C6 DT A 8 2.413 4.401 -4.295 1.00 0.00 C ATOM 0 H5' DT A 8 5.527 1.221 -4.494 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.820 1.313 -5.673 1.00 0.00 H new ATOM 0 H4' DT A 8 4.881 1.156 -6.976 1.00 0.00 H new ATOM 0 H3' DT A 8 6.379 3.485 -7.263 1.00 0.00 H new ATOM 0 H2' DT A 8 4.795 4.886 -5.959 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.196 5.092 -7.593 1.00 0.00 H new ATOM 0 H1' DT A 8 2.596 3.237 -7.357 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.636 5.889 -5.882 1.00 0.00 H new ATOM 0 H71 DT A 8 1.193 5.941 -1.586 1.00 0.00 H new ATOM 0 H72 DT A 8 1.268 4.164 -1.549 1.00 0.00 H new ATOM 0 H73 DT A 8 2.758 5.112 -1.762 1.00 0.00 H new ATOM 0 H6 DT A 8 3.310 3.990 -3.856 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -5.109 -5.322 -9.257 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.985 -6.499 -9.063 1.00 0.00 O ATOM 254 OP2 DC B 1 -4.357 -5.208 -10.526 1.00 0.00 O ATOM 255 O5' DC B 1 -6.007 -3.994 -9.074 1.00 0.00 O ATOM 256 C5' DC B 1 -6.668 -3.388 -10.173 1.00 0.00 C ATOM 257 C4' DC B 1 -8.101 -2.987 -9.802 1.00 0.00 C ATOM 258 O4' DC B 1 -8.834 -4.162 -9.505 1.00 0.00 O ATOM 259 C3' DC B 1 -8.172 -2.070 -8.575 1.00 0.00 C ATOM 260 O3' DC B 1 -8.819 -0.850 -8.884 1.00 0.00 O ATOM 261 C2' DC B 1 -9.044 -2.830 -7.587 1.00 0.00 C ATOM 262 C1' DC B 1 -9.725 -3.895 -8.442 1.00 0.00 C ATOM 263 N1 DC B 1 -9.905 -5.125 -7.633 1.00 0.00 N ATOM 264 C2 DC B 1 -11.184 -5.538 -7.264 1.00 0.00 C ATOM 265 O2 DC B 1 -12.184 -4.938 -7.651 1.00 0.00 O ATOM 266 N3 DC B 1 -11.302 -6.629 -6.454 1.00 0.00 N ATOM 267 C4 DC B 1 -10.219 -7.284 -6.014 1.00 0.00 C ATOM 268 N4 DC B 1 -10.396 -8.336 -5.214 1.00 0.00 N ATOM 269 C5 DC B 1 -8.894 -6.868 -6.372 1.00 0.00 C ATOM 270 C6 DC B 1 -8.795 -5.788 -7.182 1.00 0.00 C ATOM 0 H5' DC B 1 -6.687 -4.079 -11.016 1.00 0.00 H new ATOM 0 H5'' DC B 1 -6.112 -2.507 -10.495 1.00 0.00 H new ATOM 0 H4' DC B 1 -8.511 -2.441 -10.652 1.00 0.00 H new ATOM 0 H3' DC B 1 -7.176 -1.832 -8.202 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.449 -3.277 -6.791 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.773 -2.174 -7.110 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.700 -3.568 -8.802 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.589 -8.853 -4.865 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.339 -8.624 -4.951 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.019 -7.390 -6.013 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.817 -5.441 -7.480 1.00 0.00 H new ATOM 282 P DC B 2 -8.003 0.538 -9.000 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.961 1.597 -9.388 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.798 0.298 -9.824 1.00 0.00 O ATOM 285 O5' DC B 2 -7.531 0.820 -7.481 1.00 0.00 O ATOM 286 C5' DC B 2 -8.433 0.709 -6.400 1.00 0.00 C ATOM 287 C4' DC B 2 -7.830 0.968 -5.012 1.00 0.00 C ATOM 288 O4' DC B 2 -6.776 0.131 -4.595 1.00 0.00 O ATOM 289 C3' DC B 2 -7.524 2.416 -4.632 1.00 0.00 C ATOM 290 O3' DC B 2 -8.278 2.683 -3.461 1.00 0.00 O ATOM 291 C2' DC B 2 -6.023 2.366 -4.398 1.00 0.00 C ATOM 292 C1' DC B 2 -5.752 0.917 -4.012 1.00 0.00 C ATOM 293 N1 DC B 2 -4.513 0.485 -4.661 1.00 0.00 N ATOM 294 C2 DC B 2 -3.419 0.140 -3.893 1.00 0.00 C ATOM 295 O2 DC B 2 -3.415 0.359 -2.689 1.00 0.00 O ATOM 296 N3 DC B 2 -2.362 -0.454 -4.508 1.00 0.00 N ATOM 297 C4 DC B 2 -2.366 -0.641 -5.832 1.00 0.00 C ATOM 298 N4 DC B 2 -1.354 -1.329 -6.357 1.00 0.00 N ATOM 299 C5 DC B 2 -3.473 -0.227 -6.653 1.00 0.00 C ATOM 300 C6 DC B 2 -4.527 0.320 -6.008 1.00 0.00 C ATOM 0 H5' DC B 2 -8.864 -0.292 -6.409 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.252 1.410 -6.559 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.711 0.675 -4.442 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.775 3.195 -5.351 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.471 2.649 -5.294 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.720 3.052 -3.607 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.699 0.818 -2.928 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.318 -1.495 -7.363 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.615 -1.690 -5.753 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.462 -0.347 -7.726 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.394 0.631 -6.573 1.00 0.00 H new ATOM 312 P DG B 3 -8.233 4.087 -2.679 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.458 4.198 -1.858 1.00 0.00 O ATOM 314 OP2 DG B 3 -7.890 5.156 -3.645 1.00 0.00 O ATOM 315 O5' DG B 3 -6.982 3.868 -1.699 1.00 0.00 O ATOM 316 C5' DG B 3 -6.965 2.851 -0.711 1.00 0.00 C ATOM 317 C4' DG B 3 -5.592 2.867 -0.037 1.00 0.00 C ATOM 318 O4' DG B 3 -4.640 2.574 -1.023 1.00 0.00 O ATOM 319 C3' DG B 3 -5.267 4.260 0.499 1.00 0.00 C ATOM 320 O3' DG B 3 -5.272 4.247 1.906 1.00 0.00 O ATOM 321 C2' DG B 3 -3.836 4.472 0.058 1.00 0.00 C ATOM 322 C1' DG B 3 -3.436 3.176 -0.633 1.00 0.00 C ATOM 323 N9 DG B 3 -2.686 3.382 -1.881 1.00 0.00 N ATOM 324 C8 DG B 3 -3.173 3.945 -3.025 1.00 0.00 C ATOM 325 N7 DG B 3 -2.493 3.659 -4.100 1.00 0.00 N ATOM 326 C5 DG B 3 -1.440 2.882 -3.622 1.00 0.00 C ATOM 327 C6 DG B 3 -0.376 2.226 -4.316 1.00 0.00 C ATOM 328 O6 DG B 3 -0.195 2.143 -5.526 1.00 0.00 O ATOM 329 N1 DG B 3 0.528 1.619 -3.449 1.00 0.00 N ATOM 330 C2 DG B 3 0.374 1.581 -2.087 1.00 0.00 C ATOM 331 N2 DG B 3 1.359 0.985 -1.430 1.00 0.00 N ATOM 332 N3 DG B 3 -0.659 2.119 -1.430 1.00 0.00 N ATOM 333 C4 DG B 3 -1.522 2.763 -2.254 1.00 0.00 C ATOM 0 H5' DG B 3 -7.156 1.878 -1.163 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.752 3.021 0.024 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.586 2.150 0.784 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.973 5.015 0.153 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.755 5.321 -0.620 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.188 4.681 0.909 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.812 2.603 0.053 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.050 4.576 -3.039 1.00 0.00 H new ATOM 0 H1 DG B 3 1.354 1.176 -3.851 1.00 0.00 H new ATOM 0 H21 DG B 3 1.324 0.913 -0.413 1.00 0.00 H new ATOM 0 H22 DG B 3 2.152 0.598 -1.941 1.00 0.00 H new ATOM 345 P DT B 4 -6.333 5.109 2.745 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.572 4.322 2.924 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.387 6.479 2.190 1.00 0.00 O ATOM 348 O5' DT B 4 -5.534 5.164 4.130 1.00 0.00 O ATOM 349 C5' DT B 4 -5.352 4.008 4.916 1.00 0.00 C ATOM 350 C4' DT B 4 -4.157 4.202 5.849 1.00 0.00 C ATOM 351 O4' DT B 4 -2.948 4.091 5.113 1.00 0.00 O ATOM 352 C3' DT B 4 -4.156 5.584 6.507 1.00 0.00 C ATOM 353 O3' DT B 4 -3.863 5.431 7.883 1.00 0.00 O ATOM 354 C2' DT B 4 -3.014 6.287 5.796 1.00 0.00 C ATOM 355 C1' DT B 4 -2.087 5.115 5.565 1.00 0.00 C ATOM 356 N1 DT B 4 -1.045 5.505 4.592 1.00 0.00 N ATOM 357 C2 DT B 4 0.149 6.012 5.096 1.00 0.00 C ATOM 358 O2 DT B 4 0.344 6.215 6.291 1.00 0.00 O ATOM 359 N3 DT B 4 1.132 6.293 4.167 1.00 0.00 N ATOM 360 C4 DT B 4 1.032 6.095 2.802 1.00 0.00 C ATOM 361 O4 DT B 4 1.991 6.368 2.084 1.00 0.00 O ATOM 362 C5 DT B 4 -0.252 5.573 2.349 1.00 0.00 C ATOM 363 C7 DT B 4 -0.365 5.150 0.891 1.00 0.00 C ATOM 364 C6 DT B 4 -1.250 5.327 3.247 1.00 0.00 C ATOM 0 H5' DT B 4 -5.188 3.142 4.274 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.251 3.807 5.498 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.234 3.434 6.618 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.100 6.124 6.434 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.330 6.758 4.865 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.558 7.065 6.408 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.536 4.781 6.444 1.00 0.00 H new ATOM 0 H3 DT B 4 2.008 6.680 4.518 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.093 4.343 0.802 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.689 5.999 0.290 1.00 0.00 H new ATOM 0 H73 DT B 4 0.606 4.804 0.536 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.213 4.988 2.895 1.00 0.00 H new ATOM 377 P DC B 5 -4.779 6.109 9.016 1.00 0.00 P ATOM 378 OP1 DC B 5 -4.959 7.535 8.664 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.225 5.745 10.339 1.00 0.00 O ATOM 380 O5' DC B 5 -6.201 5.367 8.827 1.00 0.00 O ATOM 381 C5' DC B 5 -6.549 4.175 9.504 1.00 0.00 C ATOM 382 C4' DC B 5 -8.055 3.916 9.343 1.00 0.00 C ATOM 383 O4' DC B 5 -8.756 5.103 9.676 1.00 0.00 O ATOM 384 C3' DC B 5 -8.463 3.509 7.921 1.00 0.00 C ATOM 385 O3' DC B 5 -9.398 2.445 7.938 1.00 0.00 O ATOM 386 C2' DC B 5 -9.199 4.715 7.365 1.00 0.00 C ATOM 387 C1' DC B 5 -9.634 5.465 8.626 1.00 0.00 C ATOM 388 N1 DC B 5 -9.581 6.941 8.445 1.00 0.00 N ATOM 389 C2 DC B 5 -10.663 7.720 8.862 1.00 0.00 C ATOM 390 O2 DC B 5 -11.682 7.206 9.315 1.00 0.00 O ATOM 391 N3 DC B 5 -10.568 9.076 8.758 1.00 0.00 N ATOM 392 C4 DC B 5 -9.460 9.656 8.280 1.00 0.00 C ATOM 393 N4 DC B 5 -9.422 10.987 8.207 1.00 0.00 N ATOM 394 C5 DC B 5 -8.332 8.880 7.857 1.00 0.00 C ATOM 395 C6 DC B 5 -8.439 7.536 7.963 1.00 0.00 C ATOM 0 H5' DC B 5 -6.294 4.256 10.561 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.980 3.337 9.102 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.302 3.084 10.003 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.587 3.202 7.350 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.553 5.326 6.734 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.053 4.421 6.756 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.666 5.195 8.850 1.00 0.00 H new ATOM 0 H41 DC B 5 -8.590 11.454 7.847 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.225 11.538 8.511 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.438 9.347 7.471 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.608 6.915 7.662 1.00 0.00 H new ATOM 407 P DC B 6 -8.960 0.893 7.911 1.00 0.00 P ATOM 408 OP1 DC B 6 -10.175 0.078 8.128 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.791 0.725 8.802 1.00 0.00 O ATOM 410 O5' DC B 6 -8.470 0.661 6.391 1.00 0.00 O ATOM 411 C5' DC B 6 -9.151 1.219 5.288 1.00 0.00 C ATOM 412 C4' DC B 6 -8.499 0.905 3.931 1.00 0.00 C ATOM 413 O4' DC B 6 -7.212 1.434 3.706 1.00 0.00 O ATOM 414 C3' DC B 6 -8.547 -0.542 3.437 1.00 0.00 C ATOM 415 O3' DC B 6 -9.154 -0.528 2.150 1.00 0.00 O ATOM 416 C2' DC B 6 -7.073 -0.911 3.419 1.00 0.00 C ATOM 417 C1' DC B 6 -6.372 0.422 3.182 1.00 0.00 C ATOM 418 N1 DC B 6 -5.157 0.467 3.997 1.00 0.00 N ATOM 419 C2 DC B 6 -3.927 0.599 3.384 1.00 0.00 C ATOM 420 O2 DC B 6 -3.826 0.467 2.172 1.00 0.00 O ATOM 421 N3 DC B 6 -2.849 0.885 4.157 1.00 0.00 N ATOM 422 C4 DC B 6 -2.970 0.978 5.486 1.00 0.00 C ATOM 423 N4 DC B 6 -1.909 1.397 6.172 1.00 0.00 N ATOM 424 C5 DC B 6 -4.237 0.792 6.145 1.00 0.00 C ATOM 425 C6 DC B 6 -5.300 0.558 5.343 1.00 0.00 C ATOM 0 H5' DC B 6 -9.202 2.300 5.414 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.177 0.850 5.282 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.202 1.468 3.317 1.00 0.00 H new ATOM 0 H3' DC B 6 -9.121 -1.254 4.030 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.762 -1.366 4.360 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.849 -1.628 2.629 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.153 0.548 2.122 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.959 1.482 7.187 1.00 0.00 H new ATOM 0 H42 DC B 6 -1.046 1.633 5.682 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.333 0.837 7.220 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.280 0.441 5.782 1.00 0.00 H new ATOM 437 P DG B 7 -9.357 -1.849 1.249 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.326 -1.551 0.169 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.590 -3.004 2.144 1.00 0.00 O ATOM 440 O5' DG B 7 -7.920 -2.031 0.559 1.00 0.00 O ATOM 441 C5' DG B 7 -7.393 -1.076 -0.344 1.00 0.00 C ATOM 442 C4' DG B 7 -5.994 -1.519 -0.770 1.00 0.00 C ATOM 443 O4' DG B 7 -5.167 -1.406 0.360 1.00 0.00 O ATOM 444 C3' DG B 7 -5.953 -2.993 -1.185 1.00 0.00 C ATOM 445 O3' DG B 7 -5.777 -3.129 -2.573 1.00 0.00 O ATOM 446 C2' DG B 7 -4.693 -3.499 -0.519 1.00 0.00 C ATOM 447 C1' DG B 7 -4.094 -2.292 0.186 1.00 0.00 C ATOM 448 N9 DG B 7 -3.599 -2.608 1.537 1.00 0.00 N ATOM 449 C8 DG B 7 -4.351 -3.017 2.602 1.00 0.00 C ATOM 450 N7 DG B 7 -3.764 -2.891 3.758 1.00 0.00 N ATOM 451 C5 DG B 7 -2.504 -2.395 3.430 1.00 0.00 C ATOM 452 C6 DG B 7 -1.421 -1.992 4.267 1.00 0.00 C ATOM 453 O6 DG B 7 -1.395 -1.933 5.492 1.00 0.00 O ATOM 454 N1 DG B 7 -0.294 -1.621 3.539 1.00 0.00 N ATOM 455 C2 DG B 7 -0.251 -1.573 2.170 1.00 0.00 C ATOM 456 N2 DG B 7 0.916 -1.197 1.667 1.00 0.00 N ATOM 457 N3 DG B 7 -1.284 -1.869 1.373 1.00 0.00 N ATOM 458 C4 DG B 7 -2.377 -2.279 2.065 1.00 0.00 C ATOM 0 H5' DG B 7 -7.350 -0.094 0.128 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.041 -0.983 -1.216 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.682 -0.904 -1.614 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.870 -3.516 -0.913 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.917 -4.296 0.190 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.999 -3.910 -1.252 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.258 -1.910 -0.400 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.350 -3.412 2.494 1.00 0.00 H new ATOM 0 H1 DG B 7 0.549 -1.370 4.055 1.00 0.00 H new ATOM 0 H21 DG B 7 1.039 -1.133 0.656 1.00 0.00 H new ATOM 0 H22 DG B 7 1.691 -0.971 2.290 1.00 0.00 H new ATOM 470 P DT B 8 -6.986 -3.602 -3.516 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.857 -2.443 -3.812 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.580 -4.831 -2.947 1.00 0.00 O ATOM 473 O5' DT B 8 -6.143 -4.005 -4.816 1.00 0.00 O ATOM 474 C5' DT B 8 -5.465 -3.039 -5.590 1.00 0.00 C ATOM 475 C4' DT B 8 -4.237 -3.658 -6.263 1.00 0.00 C ATOM 476 O4' DT B 8 -3.144 -3.656 -5.357 1.00 0.00 O ATOM 477 C3' DT B 8 -4.435 -5.119 -6.705 1.00 0.00 C ATOM 478 O3' DT B 8 -4.039 -5.288 -8.052 1.00 0.00 O ATOM 479 C2' DT B 8 -3.475 -5.874 -5.802 1.00 0.00 C ATOM 480 C1' DT B 8 -2.400 -4.829 -5.603 1.00 0.00 C ATOM 481 N1 DT B 8 -1.522 -5.247 -4.491 1.00 0.00 N ATOM 482 C2 DT B 8 -0.390 -5.994 -4.804 1.00 0.00 C ATOM 483 O2 DT B 8 -0.099 -6.328 -5.950 1.00 0.00 O ATOM 484 N3 DT B 8 0.412 -6.364 -3.740 1.00 0.00 N ATOM 485 C4 DT B 8 0.184 -6.054 -2.411 1.00 0.00 C ATOM 486 O4 DT B 8 0.984 -6.433 -1.558 1.00 0.00 O ATOM 487 C5 DT B 8 -1.028 -5.286 -2.161 1.00 0.00 C ATOM 488 C7 DT B 8 -1.276 -4.790 -0.745 1.00 0.00 C ATOM 489 C6 DT B 8 -1.844 -4.931 -3.195 1.00 0.00 C ATOM 0 H5' DT B 8 -5.159 -2.206 -4.957 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.137 -2.634 -6.347 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.057 -3.049 -7.149 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.471 -5.450 -6.634 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.939 -6.174 -4.863 1.00 0.00 H new ATOM 0 H2'' DT B 8 -3.090 -6.780 -6.271 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.721 -4.679 -6.442 1.00 0.00 H new ATOM 0 H3 DT B 8 1.244 -6.913 -3.954 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.843 -3.860 -0.779 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.841 -5.539 -0.191 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.322 -4.615 -0.249 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.758 -4.393 -2.990 1.00 0.00 H new TER 502 DT B 8