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= -3.3! (180deg=-4.45!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.472 (180deg=-0.295) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -2.69! (180deg=-4.98!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.489 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.045 3.221 -9.929 1.00 0.00 P ATOM 2 OP1 DC A 1 6.655 4.559 -9.757 1.00 0.00 O ATOM 3 OP2 DC A 1 5.359 2.886 -11.197 1.00 0.00 O ATOM 4 O5' DC A 1 7.184 2.114 -9.652 1.00 0.00 O ATOM 5 C5' DC A 1 7.091 0.788 -10.136 1.00 0.00 C ATOM 6 C4' DC A 1 8.398 0.042 -9.835 1.00 0.00 C ATOM 7 O4' DC A 1 9.483 0.812 -10.324 1.00 0.00 O ATOM 8 C3' DC A 1 8.620 -0.191 -8.336 1.00 0.00 C ATOM 9 O3' DC A 1 8.942 -1.549 -8.080 1.00 0.00 O ATOM 10 C2' DC A 1 9.829 0.658 -7.983 1.00 0.00 C ATOM 11 C1' DC A 1 10.493 0.903 -9.338 1.00 0.00 C ATOM 12 N1 DC A 1 11.093 2.262 -9.395 1.00 0.00 N ATOM 13 C2 DC A 1 12.447 2.408 -9.700 1.00 0.00 C ATOM 14 O2 DC A 1 13.166 1.430 -9.894 1.00 0.00 O ATOM 15 N3 DC A 1 12.964 3.667 -9.780 1.00 0.00 N ATOM 16 C4 DC A 1 12.195 4.743 -9.576 1.00 0.00 C ATOM 17 N4 DC A 1 12.754 5.951 -9.665 1.00 0.00 N ATOM 18 C5 DC A 1 10.800 4.620 -9.263 1.00 0.00 C ATOM 19 C6 DC A 1 10.300 3.365 -9.188 1.00 0.00 C ATOM 0 H5' DC A 1 6.902 0.794 -11.209 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.251 0.276 -9.667 1.00 0.00 H new ATOM 0 H4' DC A 1 8.333 -0.932 -10.320 1.00 0.00 H new ATOM 0 H3' DC A 1 7.728 0.059 -7.762 1.00 0.00 H new ATOM 0 H2' DC A 1 9.538 1.592 -7.503 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.497 0.140 -7.295 1.00 0.00 H new ATOM 0 H1' DC A 1 11.284 0.171 -9.498 1.00 0.00 H new ATOM 0 H41 DC A 1 12.189 6.787 -9.514 1.00 0.00 H new ATOM 0 H42 DC A 1 13.746 6.039 -9.884 1.00 0.00 H new ATOM 0 H5 DC A 1 10.179 5.488 -9.095 1.00 0.00 H new ATOM 0 H6 DC A 1 9.253 3.227 -8.960 1.00 0.00 H new ATOM 31 P DC A 2 7.818 -2.633 -7.668 1.00 0.00 P ATOM 32 OP1 DC A 2 8.246 -3.952 -8.184 1.00 0.00 O ATOM 33 OP2 DC A 2 6.493 -2.092 -8.048 1.00 0.00 O ATOM 34 O5' DC A 2 7.904 -2.680 -6.052 1.00 0.00 O ATOM 35 C5' DC A 2 8.409 -1.584 -5.309 1.00 0.00 C ATOM 36 C4' DC A 2 8.065 -1.595 -3.812 1.00 0.00 C ATOM 37 O4' DC A 2 7.012 -0.724 -3.453 1.00 0.00 O ATOM 38 C3' DC A 2 7.812 -2.938 -3.125 1.00 0.00 C ATOM 39 O3' DC A 2 8.454 -2.884 -1.861 1.00 0.00 O ATOM 40 C2' DC A 2 6.296 -2.943 -3.035 1.00 0.00 C ATOM 41 C1' DC A 2 5.931 -1.463 -2.929 1.00 0.00 C ATOM 42 N1 DC A 2 4.777 -1.176 -3.790 1.00 0.00 N ATOM 43 C2 DC A 2 3.625 -0.657 -3.231 1.00 0.00 C ATOM 44 O2 DC A 2 3.520 -0.556 -2.017 1.00 0.00 O ATOM 45 N3 DC A 2 2.621 -0.261 -4.058 1.00 0.00 N ATOM 46 C4 DC A 2 2.729 -0.422 -5.381 1.00 0.00 C ATOM 47 N4 DC A 2 1.762 0.079 -6.149 1.00 0.00 N ATOM 48 C5 DC A 2 3.910 -0.986 -5.977 1.00 0.00 C ATOM 49 C6 DC A 2 4.910 -1.321 -5.133 1.00 0.00 C ATOM 0 H5' DC A 2 8.027 -0.662 -5.747 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.493 -1.562 -5.416 1.00 0.00 H new ATOM 0 H4' DC A 2 9.023 -1.240 -3.433 1.00 0.00 H new ATOM 0 H3' DC A 2 8.186 -3.836 -3.618 1.00 0.00 H new ATOM 0 H2' DC A 2 5.845 -3.404 -3.914 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.949 -3.504 -2.167 1.00 0.00 H new ATOM 0 H1' DC A 2 5.710 -1.211 -1.892 1.00 0.00 H new ATOM 0 H41 DC A 2 1.811 -0.025 -7.163 1.00 0.00 H new ATOM 0 H42 DC A 2 0.973 0.566 -5.723 1.00 0.00 H new ATOM 0 H5 DC A 2 3.993 -1.134 -7.044 1.00 0.00 H new ATOM 0 H6 DC A 2 5.833 -1.712 -5.535 1.00 0.00 H new ATOM 61 P DG A 3 8.423 -4.100 -0.801 1.00 0.00 P ATOM 62 OP1 DG A 3 9.531 -3.907 0.158 1.00 0.00 O ATOM 63 OP2 DG A 3 8.316 -5.371 -1.553 1.00 0.00 O ATOM 64 O5' DG A 3 7.034 -3.856 -0.027 1.00 0.00 O ATOM 65 C5' DG A 3 6.816 -2.717 0.789 1.00 0.00 C ATOM 66 C4' DG A 3 5.344 -2.680 1.213 1.00 0.00 C ATOM 67 O4' DG A 3 4.599 -2.547 0.027 1.00 0.00 O ATOM 68 C3' DG A 3 4.889 -3.994 1.857 1.00 0.00 C ATOM 69 O3' DG A 3 4.664 -3.845 3.241 1.00 0.00 O ATOM 70 C2' DG A 3 3.525 -4.213 1.228 1.00 0.00 C ATOM 71 C1' DG A 3 3.314 -3.033 0.293 1.00 0.00 C ATOM 72 N9 DG A 3 2.710 -3.424 -0.992 1.00 0.00 N ATOM 73 C8 DG A 3 3.273 -4.242 -1.927 1.00 0.00 C ATOM 74 N7 DG A 3 2.714 -4.175 -3.104 1.00 0.00 N ATOM 75 C5 DG A 3 1.655 -3.288 -2.913 1.00 0.00 C ATOM 76 C6 DG A 3 0.671 -2.802 -3.829 1.00 0.00 C ATOM 77 O6 DG A 3 0.605 -2.996 -5.038 1.00 0.00 O ATOM 78 N1 DG A 3 -0.304 -2.025 -3.209 1.00 0.00 N ATOM 79 C2 DG A 3 -0.288 -1.693 -1.875 1.00 0.00 C ATOM 80 N2 DG A 3 -1.347 -1.013 -1.439 1.00 0.00 N ATOM 81 N3 DG A 3 0.672 -2.081 -1.024 1.00 0.00 N ATOM 82 C4 DG A 3 1.607 -2.879 -1.601 1.00 0.00 C ATOM 0 H5' DG A 3 7.074 -1.809 0.244 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.460 -2.755 1.668 1.00 0.00 H new ATOM 0 H4' DG A 3 5.206 -1.872 1.931 1.00 0.00 H new ATOM 0 H3' DG A 3 5.625 -4.786 1.715 1.00 0.00 H new ATOM 0 H2' DG A 3 3.491 -5.156 0.683 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.745 -4.256 1.988 1.00 0.00 H new ATOM 0 H1' DG A 3 2.642 -2.312 0.758 1.00 0.00 H new ATOM 0 H8 DG A 3 4.110 -4.890 -1.712 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.077 -1.681 -3.779 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.405 -0.732 -0.460 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.100 -0.773 -2.084 1.00 0.00 H new ATOM 94 P DT A 4 5.764 -4.307 4.316 1.00 0.00 P ATOM 95 OP1 DT A 4 6.903 -3.365 4.286 1.00 0.00 O ATOM 96 OP2 DT A 4 5.993 -5.759 4.158 1.00 0.00 O ATOM 97 O5' DT A 4 4.927 -4.075 5.663 1.00 0.00 O ATOM 98 C5' DT A 4 4.683 -2.777 6.161 1.00 0.00 C ATOM 99 C4' DT A 4 3.474 -2.788 7.098 1.00 0.00 C ATOM 100 O4' DT A 4 2.291 -2.879 6.321 1.00 0.00 O ATOM 101 C3' DT A 4 3.489 -3.992 8.042 1.00 0.00 C ATOM 102 O3' DT A 4 3.023 -3.592 9.317 1.00 0.00 O ATOM 103 C2' DT A 4 2.453 -4.914 7.417 1.00 0.00 C ATOM 104 C1' DT A 4 1.474 -3.872 6.899 1.00 0.00 C ATOM 105 N1 DT A 4 0.524 -4.457 5.931 1.00 0.00 N ATOM 106 C2 DT A 4 -0.749 -4.798 6.379 1.00 0.00 C ATOM 107 O2 DT A 4 -1.100 -4.705 7.553 1.00 0.00 O ATOM 108 N3 DT A 4 -1.632 -5.261 5.419 1.00 0.00 N ATOM 109 C4 DT A 4 -1.350 -5.419 4.073 1.00 0.00 C ATOM 110 O4 DT A 4 -2.234 -5.813 3.315 1.00 0.00 O ATOM 111 C5 DT A 4 0.016 -5.087 3.694 1.00 0.00 C ATOM 112 C7 DT A 4 0.417 -5.196 2.235 1.00 0.00 C ATOM 113 C6 DT A 4 0.900 -4.629 4.624 1.00 0.00 C ATOM 0 H5' DT A 4 4.505 -2.090 5.334 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.562 -2.413 6.694 1.00 0.00 H new ATOM 0 H4' DT A 4 3.511 -1.872 7.688 1.00 0.00 H new ATOM 0 H3' DT A 4 4.475 -4.440 8.165 1.00 0.00 H new ATOM 0 H2' DT A 4 2.868 -5.532 6.621 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.001 -5.590 8.143 1.00 0.00 H new ATOM 0 H1' DT A 4 0.843 -3.462 7.687 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.572 -5.507 5.730 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.171 -5.978 1.754 1.00 0.00 H new ATOM 0 H72 DT A 4 0.234 -4.245 1.735 1.00 0.00 H new ATOM 0 H73 DT A 4 1.476 -5.444 2.166 1.00 0.00 H new ATOM 0 H6 DT A 4 1.912 -4.398 4.327 1.00 0.00 H new ATOM 126 P DC A 5 3.727 -4.105 10.665 1.00 0.00 P ATOM 127 OP1 DC A 5 4.184 -5.498 10.460 1.00 0.00 O ATOM 128 OP2 DC A 5 2.847 -3.778 11.808 1.00 0.00 O ATOM 129 O5' DC A 5 5.019 -3.147 10.716 1.00 0.00 O ATOM 130 C5' DC A 5 4.945 -1.831 11.227 1.00 0.00 C ATOM 131 C4' DC A 5 6.323 -1.162 11.183 1.00 0.00 C ATOM 132 O4' DC A 5 7.284 -2.059 11.712 1.00 0.00 O ATOM 133 C3' DC A 5 6.770 -0.725 9.777 1.00 0.00 C ATOM 134 O3' DC A 5 7.018 0.675 9.860 1.00 0.00 O ATOM 135 C2' DC A 5 7.981 -1.611 9.505 1.00 0.00 C ATOM 136 C1' DC A 5 8.432 -2.067 10.889 1.00 0.00 C ATOM 137 N1 DC A 5 8.961 -3.454 10.828 1.00 0.00 N ATOM 138 C2 DC A 5 10.268 -3.715 11.242 1.00 0.00 C ATOM 139 O2 DC A 5 10.999 -2.816 11.653 1.00 0.00 O ATOM 140 N3 DC A 5 10.724 -4.999 11.179 1.00 0.00 N ATOM 141 C4 DC A 5 9.941 -5.989 10.735 1.00 0.00 C ATOM 142 N4 DC A 5 10.444 -7.224 10.688 1.00 0.00 N ATOM 143 C5 DC A 5 8.594 -5.746 10.309 1.00 0.00 C ATOM 144 C6 DC A 5 8.153 -4.468 10.378 1.00 0.00 C ATOM 0 H5' DC A 5 4.577 -1.853 12.253 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.232 -1.248 10.645 1.00 0.00 H new ATOM 0 H4' DC A 5 6.242 -0.251 11.776 1.00 0.00 H new ATOM 0 H3' DC A 5 6.067 -0.847 8.953 1.00 0.00 H new ATOM 0 H2' DC A 5 7.719 -2.459 8.872 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.769 -1.061 8.991 1.00 0.00 H new ATOM 0 H1' DC A 5 9.216 -1.412 11.270 1.00 0.00 H new ATOM 0 H41 DC A 5 9.868 -7.997 10.354 1.00 0.00 H new ATOM 0 H42 DC A 5 11.404 -7.395 10.986 1.00 0.00 H new ATOM 0 H5 DC A 5 7.961 -6.544 9.950 1.00 0.00 H new ATOM 0 H6 DC A 5 7.142 -4.241 10.072 1.00 0.00 H new ATOM 156 P DC A 6 7.839 1.585 8.795 1.00 0.00 P ATOM 157 OP1 DC A 6 9.276 1.249 8.911 1.00 0.00 O ATOM 158 OP2 DC A 6 7.419 2.983 9.036 1.00 0.00 O ATOM 159 O5' DC A 6 7.340 1.207 7.302 1.00 0.00 O ATOM 160 C5' DC A 6 7.874 0.108 6.589 1.00 0.00 C ATOM 161 C4' DC A 6 7.569 0.124 5.086 1.00 0.00 C ATOM 162 O4' DC A 6 6.354 -0.473 4.704 1.00 0.00 O ATOM 163 C3' DC A 6 7.725 1.451 4.339 1.00 0.00 C ATOM 164 O3' DC A 6 8.507 1.203 3.180 1.00 0.00 O ATOM 165 C2' DC A 6 6.278 1.795 4.029 1.00 0.00 C ATOM 166 C1' DC A 6 5.605 0.430 3.920 1.00 0.00 C ATOM 167 N1 DC A 6 4.292 0.473 4.567 1.00 0.00 N ATOM 168 C2 DC A 6 3.175 0.110 3.843 1.00 0.00 C ATOM 169 O2 DC A 6 3.251 -0.046 2.632 1.00 0.00 O ATOM 170 N3 DC A 6 2.004 -0.077 4.506 1.00 0.00 N ATOM 171 C4 DC A 6 1.931 0.134 5.824 1.00 0.00 C ATOM 172 N4 DC A 6 0.793 -0.191 6.435 1.00 0.00 N ATOM 173 C5 DC A 6 3.082 0.533 6.591 1.00 0.00 C ATOM 174 C6 DC A 6 4.245 0.659 5.913 1.00 0.00 C ATOM 0 H5' DC A 6 7.481 -0.814 7.018 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.955 0.090 6.729 1.00 0.00 H new ATOM 0 H4' DC A 6 8.395 -0.510 4.763 1.00 0.00 H new ATOM 0 H3' DC A 6 8.226 2.262 4.868 1.00 0.00 H new ATOM 0 H2' DC A 6 5.831 2.401 4.817 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.189 2.362 3.102 1.00 0.00 H new ATOM 0 H1' DC A 6 5.531 0.151 2.869 1.00 0.00 H new ATOM 0 H41 DC A 6 0.694 -0.047 7.440 1.00 0.00 H new ATOM 0 H42 DC A 6 0.020 -0.584 5.898 1.00 0.00 H new ATOM 0 H5 DC A 6 3.020 0.722 7.653 1.00 0.00 H new ATOM 0 H6 DC A 6 5.149 0.911 6.448 1.00 0.00 H new ATOM 186 P DG A 7 8.902 2.353 2.119 1.00 0.00 P ATOM 187 OP1 DG A 7 10.057 1.874 1.328 1.00 0.00 O ATOM 188 OP2 DG A 7 8.992 3.643 2.840 1.00 0.00 O ATOM 189 O5' DG A 7 7.616 2.405 1.154 1.00 0.00 O ATOM 190 C5' DG A 7 7.265 1.323 0.309 1.00 0.00 C ATOM 191 C4' DG A 7 5.889 1.592 -0.311 1.00 0.00 C ATOM 192 O4' DG A 7 4.984 1.651 0.763 1.00 0.00 O ATOM 193 C3' DG A 7 5.815 2.954 -1.007 1.00 0.00 C ATOM 194 O3' DG A 7 5.791 2.825 -2.412 1.00 0.00 O ATOM 195 C2' DG A 7 4.436 3.445 -0.596 1.00 0.00 C ATOM 196 C1' DG A 7 3.868 2.367 0.313 1.00 0.00 C ATOM 197 N9 DG A 7 3.183 2.913 1.497 1.00 0.00 N ATOM 198 C8 DG A 7 3.764 3.616 2.513 1.00 0.00 C ATOM 199 N7 DG A 7 3.040 3.693 3.595 1.00 0.00 N ATOM 200 C5 DG A 7 1.859 3.041 3.247 1.00 0.00 C ATOM 201 C6 DG A 7 0.683 2.773 4.013 1.00 0.00 C ATOM 202 O6 DG A 7 0.494 2.994 5.204 1.00 0.00 O ATOM 203 N1 DG A 7 -0.330 2.189 3.257 1.00 0.00 N ATOM 204 C2 DG A 7 -0.198 1.839 1.935 1.00 0.00 C ATOM 205 N2 DG A 7 -1.298 1.364 1.356 1.00 0.00 N ATOM 206 N3 DG A 7 0.928 2.016 1.230 1.00 0.00 N ATOM 207 C4 DG A 7 1.914 2.623 1.938 1.00 0.00 C ATOM 0 H5' DG A 7 7.245 0.394 0.878 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.013 1.201 -0.475 1.00 0.00 H new ATOM 0 H4' DG A 7 5.678 0.815 -1.045 1.00 0.00 H new ATOM 0 H3' DG A 7 6.661 3.590 -0.745 1.00 0.00 H new ATOM 0 H2' DG A 7 4.500 4.401 -0.077 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.799 3.598 -1.467 1.00 0.00 H new ATOM 0 H1' DG A 7 3.134 1.776 -0.235 1.00 0.00 H new ATOM 0 H8 DG A 7 4.740 4.070 2.428 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.225 2.010 3.713 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.278 1.083 0.376 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.161 1.281 1.893 1.00 0.00 H new ATOM 219 P DT A 8 7.057 3.258 -3.304 1.00 0.00 P ATOM 220 OP1 DT A 8 8.100 2.215 -3.200 1.00 0.00 O ATOM 221 OP2 DT A 8 7.381 4.669 -3.002 1.00 0.00 O ATOM 222 O5' DT A 8 6.405 3.200 -4.767 1.00 0.00 O ATOM 223 C5' DT A 8 6.175 1.969 -5.416 1.00 0.00 C ATOM 224 C4' DT A 8 5.081 2.134 -6.470 1.00 0.00 C ATOM 225 O4' DT A 8 3.843 2.358 -5.812 1.00 0.00 O ATOM 226 C3' DT A 8 5.333 3.336 -7.386 1.00 0.00 C ATOM 227 O3' DT A 8 5.014 2.979 -8.719 1.00 0.00 O ATOM 228 C2' DT A 8 4.315 4.348 -6.887 1.00 0.00 C ATOM 229 C1' DT A 8 3.189 3.414 -6.480 1.00 0.00 C ATOM 230 N1 DT A 8 2.209 4.125 -5.632 1.00 0.00 N ATOM 231 C2 DT A 8 1.077 4.661 -6.242 1.00 0.00 C ATOM 232 O2 DT A 8 0.861 4.586 -7.449 1.00 0.00 O ATOM 233 N3 DT A 8 0.178 5.302 -5.407 1.00 0.00 N ATOM 234 C4 DT A 8 0.320 5.466 -4.039 1.00 0.00 C ATOM 235 O4 DT A 8 -0.567 6.027 -3.401 1.00 0.00 O ATOM 236 C5 DT A 8 1.559 4.930 -3.490 1.00 0.00 C ATOM 237 C7 DT A 8 1.807 5.044 -1.997 1.00 0.00 C ATOM 238 C6 DT A 8 2.452 4.291 -4.293 1.00 0.00 C ATOM 0 H5' DT A 8 5.880 1.214 -4.688 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.094 1.618 -5.885 1.00 0.00 H new ATOM 0 H4' DT A 8 5.072 1.227 -7.074 1.00 0.00 H new ATOM 0 H3' DT A 8 6.362 3.696 -7.372 1.00 0.00 H new ATOM 0 H2' DT A 8 4.690 4.938 -6.050 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.013 5.052 -7.663 1.00 0.00 H new ATOM 0 H1' DT A 8 2.604 3.040 -7.320 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.663 5.687 -5.837 1.00 0.00 H new ATOM 0 H71 DT A 8 1.312 5.936 -1.613 1.00 0.00 H new ATOM 0 H72 DT A 8 1.409 4.163 -1.494 1.00 0.00 H new ATOM 0 H73 DT A 8 2.879 5.115 -1.811 1.00 0.00 H new ATOM 0 H6 DT A 8 3.368 3.908 -3.868 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.861 -4.900 -9.536 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.962 -5.884 -9.445 1.00 0.00 O ATOM 254 OP2 DC B 1 -4.006 -4.873 -10.743 1.00 0.00 O ATOM 255 O5' DC B 1 -5.473 -3.419 -9.323 1.00 0.00 O ATOM 256 C5' DC B 1 -6.115 -2.717 -10.376 1.00 0.00 C ATOM 257 C4' DC B 1 -7.619 -2.532 -10.130 1.00 0.00 C ATOM 258 O4' DC B 1 -8.248 -3.797 -10.043 1.00 0.00 O ATOM 259 C3' DC B 1 -7.934 -1.786 -8.826 1.00 0.00 C ATOM 260 O3' DC B 1 -8.619 -0.572 -9.077 1.00 0.00 O ATOM 261 C2' DC B 1 -8.915 -2.695 -8.100 1.00 0.00 C ATOM 262 C1' DC B 1 -9.361 -3.671 -9.184 1.00 0.00 C ATOM 263 N1 DC B 1 -9.688 -4.989 -8.587 1.00 0.00 N ATOM 264 C2 DC B 1 -10.974 -5.514 -8.710 1.00 0.00 C ATOM 265 O2 DC B 1 -11.847 -4.921 -9.338 1.00 0.00 O ATOM 266 N3 DC B 1 -11.245 -6.711 -8.116 1.00 0.00 N ATOM 267 C4 DC B 1 -10.303 -7.365 -7.422 1.00 0.00 C ATOM 268 N4 DC B 1 -10.630 -8.524 -6.849 1.00 0.00 N ATOM 269 C5 DC B 1 -8.975 -6.842 -7.279 1.00 0.00 C ATOM 270 C6 DC B 1 -8.722 -5.656 -7.880 1.00 0.00 C ATOM 0 H5' DC B 1 -5.967 -3.257 -11.311 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.647 -1.740 -10.495 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.988 -1.942 -10.969 1.00 0.00 H new ATOM 0 H3' DC B 1 -7.018 -1.561 -8.280 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.442 -3.211 -7.265 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.757 -2.134 -7.693 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.252 -3.321 -9.706 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.933 -9.043 -6.315 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.577 -8.891 -6.945 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.215 -7.368 -6.720 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.735 -5.225 -7.800 1.00 0.00 H new ATOM 282 P DC B 2 -7.873 0.857 -9.025 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.872 1.901 -9.348 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.626 0.762 -9.815 1.00 0.00 O ATOM 285 O5' DC B 2 -7.475 1.010 -7.467 1.00 0.00 O ATOM 286 C5' DC B 2 -8.378 0.660 -6.438 1.00 0.00 C ATOM 287 C4' DC B 2 -7.836 0.868 -5.019 1.00 0.00 C ATOM 288 O4' DC B 2 -6.756 0.058 -4.619 1.00 0.00 O ATOM 289 C3' DC B 2 -7.594 2.309 -4.569 1.00 0.00 C ATOM 290 O3' DC B 2 -8.361 2.501 -3.391 1.00 0.00 O ATOM 291 C2' DC B 2 -6.093 2.314 -4.332 1.00 0.00 C ATOM 292 C1' DC B 2 -5.772 0.864 -3.995 1.00 0.00 C ATOM 293 N1 DC B 2 -4.511 0.497 -4.636 1.00 0.00 N ATOM 294 C2 DC B 2 -3.426 0.143 -3.860 1.00 0.00 C ATOM 295 O2 DC B 2 -3.451 0.319 -2.650 1.00 0.00 O ATOM 296 N3 DC B 2 -2.345 -0.404 -4.473 1.00 0.00 N ATOM 297 C4 DC B 2 -2.314 -0.535 -5.805 1.00 0.00 C ATOM 298 N4 DC B 2 -1.279 -1.182 -6.336 1.00 0.00 N ATOM 299 C5 DC B 2 -3.411 -0.106 -6.633 1.00 0.00 C ATOM 300 C6 DC B 2 -4.493 0.386 -5.991 1.00 0.00 C ATOM 0 H5' DC B 2 -8.657 -0.387 -6.557 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.288 1.248 -6.555 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.716 0.511 -4.484 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.880 3.106 -5.255 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.550 2.649 -5.216 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.819 2.984 -3.517 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.730 0.734 -2.914 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.218 -1.303 -7.347 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.547 -1.556 -5.732 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.371 -0.174 -7.710 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.356 0.696 -6.562 1.00 0.00 H new ATOM 312 P DG B 3 -8.374 3.878 -2.558 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.587 3.895 -1.711 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.112 4.994 -3.493 1.00 0.00 O ATOM 315 O5' DG B 3 -7.092 3.707 -1.603 1.00 0.00 O ATOM 316 C5' DG B 3 -7.008 2.690 -0.619 1.00 0.00 C ATOM 317 C4' DG B 3 -5.624 2.764 0.033 1.00 0.00 C ATOM 318 O4' DG B 3 -4.681 2.491 -0.969 1.00 0.00 O ATOM 319 C3' DG B 3 -5.330 4.177 0.540 1.00 0.00 C ATOM 320 O3' DG B 3 -5.318 4.199 1.947 1.00 0.00 O ATOM 321 C2' DG B 3 -3.911 4.422 0.076 1.00 0.00 C ATOM 322 C1' DG B 3 -3.487 3.127 -0.600 1.00 0.00 C ATOM 323 N9 DG B 3 -2.748 3.338 -1.855 1.00 0.00 N ATOM 324 C8 DG B 3 -3.249 3.884 -2.999 1.00 0.00 C ATOM 325 N7 DG B 3 -2.573 3.595 -4.077 1.00 0.00 N ATOM 326 C5 DG B 3 -1.505 2.839 -3.597 1.00 0.00 C ATOM 327 C6 DG B 3 -0.440 2.182 -4.290 1.00 0.00 C ATOM 328 O6 DG B 3 -0.279 2.072 -5.501 1.00 0.00 O ATOM 329 N1 DG B 3 0.485 1.610 -3.424 1.00 0.00 N ATOM 330 C2 DG B 3 0.346 1.592 -2.061 1.00 0.00 C ATOM 331 N2 DG B 3 1.337 1.008 -1.403 1.00 0.00 N ATOM 332 N3 DG B 3 -0.691 2.123 -1.403 1.00 0.00 N ATOM 333 C4 DG B 3 -1.573 2.738 -2.227 1.00 0.00 C ATOM 0 H5' DG B 3 -7.163 1.710 -1.071 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.788 2.822 0.131 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.584 2.062 0.866 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.063 4.903 0.188 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.862 5.263 -0.616 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.257 4.661 0.915 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.845 2.574 0.086 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.133 4.505 -3.012 1.00 0.00 H new ATOM 0 H1 DG B 3 1.316 1.178 -3.827 1.00 0.00 H new ATOM 0 H21 DG B 3 1.310 0.953 -0.385 1.00 0.00 H new ATOM 0 H22 DG B 3 2.126 0.614 -1.915 1.00 0.00 H new ATOM 345 P DT B 4 -6.425 5.011 2.778 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.619 4.159 2.969 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.557 6.368 2.204 1.00 0.00 O ATOM 348 O5' DT B 4 -5.631 5.131 4.161 1.00 0.00 O ATOM 349 C5' DT B 4 -5.405 4.002 4.975 1.00 0.00 C ATOM 350 C4' DT B 4 -4.195 4.250 5.875 1.00 0.00 C ATOM 351 O4' DT B 4 -3.001 4.142 5.115 1.00 0.00 O ATOM 352 C3' DT B 4 -4.203 5.653 6.492 1.00 0.00 C ATOM 353 O3' DT B 4 -3.906 5.549 7.872 1.00 0.00 O ATOM 354 C2' DT B 4 -3.066 6.345 5.762 1.00 0.00 C ATOM 355 C1' DT B 4 -2.137 5.170 5.549 1.00 0.00 C ATOM 356 N1 DT B 4 -1.093 5.541 4.572 1.00 0.00 N ATOM 357 C2 DT B 4 0.101 6.054 5.071 1.00 0.00 C ATOM 358 O2 DT B 4 0.295 6.272 6.264 1.00 0.00 O ATOM 359 N3 DT B 4 1.088 6.316 4.141 1.00 0.00 N ATOM 360 C4 DT B 4 0.988 6.106 2.777 1.00 0.00 C ATOM 361 O4 DT B 4 1.952 6.361 2.060 1.00 0.00 O ATOM 362 C5 DT B 4 -0.301 5.595 2.327 1.00 0.00 C ATOM 363 C7 DT B 4 -0.432 5.199 0.863 1.00 0.00 C ATOM 364 C6 DT B 4 -1.301 5.356 3.229 1.00 0.00 C ATOM 0 H5' DT B 4 -5.234 3.122 4.354 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.287 3.797 5.583 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.244 3.505 6.669 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.154 6.179 6.402 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.387 6.798 4.824 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.609 7.135 6.357 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.583 4.851 6.432 1.00 0.00 H new ATOM 0 H3 DT B 4 1.967 6.698 4.490 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.163 4.396 0.767 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.761 6.060 0.281 1.00 0.00 H new ATOM 0 H73 DT B 4 0.534 4.857 0.491 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.265 5.018 2.880 1.00 0.00 H new ATOM 377 P DC B 5 -4.870 6.191 8.987 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.136 7.595 8.604 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.296 5.891 10.318 1.00 0.00 O ATOM 380 O5' DC B 5 -6.244 5.359 8.813 1.00 0.00 O ATOM 381 C5' DC B 5 -6.538 4.186 9.548 1.00 0.00 C ATOM 382 C4' DC B 5 -8.034 3.863 9.414 1.00 0.00 C ATOM 383 O4' DC B 5 -8.776 5.036 9.705 1.00 0.00 O ATOM 384 C3' DC B 5 -8.441 3.380 8.016 1.00 0.00 C ATOM 385 O3' DC B 5 -9.320 2.272 8.091 1.00 0.00 O ATOM 386 C2' DC B 5 -9.242 4.526 7.422 1.00 0.00 C ATOM 387 C1' DC B 5 -9.685 5.314 8.656 1.00 0.00 C ATOM 388 N1 DC B 5 -9.694 6.781 8.405 1.00 0.00 N ATOM 389 C2 DC B 5 -10.803 7.534 8.798 1.00 0.00 C ATOM 390 O2 DC B 5 -11.792 7.001 9.296 1.00 0.00 O ATOM 391 N3 DC B 5 -10.771 8.886 8.618 1.00 0.00 N ATOM 392 C4 DC B 5 -9.698 9.486 8.088 1.00 0.00 C ATOM 393 N4 DC B 5 -9.721 10.811 7.940 1.00 0.00 N ATOM 394 C5 DC B 5 -8.542 8.738 7.693 1.00 0.00 C ATOM 395 C6 DC B 5 -8.588 7.398 7.874 1.00 0.00 C ATOM 0 H5' DC B 5 -6.277 4.326 10.597 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.940 3.353 9.179 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.242 3.050 10.110 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.559 3.093 7.443 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.637 5.135 6.750 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.094 4.166 6.846 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.701 5.013 8.913 1.00 0.00 H new ATOM 0 H41 DC B 5 -8.917 11.293 7.539 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.543 11.342 8.228 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.674 9.221 7.270 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.734 6.799 7.594 1.00 0.00 H new ATOM 407 P DC B 6 -8.803 0.747 8.079 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.969 -0.129 8.326 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.615 0.652 8.955 1.00 0.00 O ATOM 410 O5' DC B 6 -8.323 0.518 6.554 1.00 0.00 O ATOM 411 C5' DC B 6 -9.037 1.047 5.456 1.00 0.00 C ATOM 412 C4' DC B 6 -8.403 0.737 4.090 1.00 0.00 C ATOM 413 O4' DC B 6 -7.146 1.314 3.818 1.00 0.00 O ATOM 414 C3' DC B 6 -8.404 -0.720 3.624 1.00 0.00 C ATOM 415 O3' DC B 6 -9.041 -0.750 2.356 1.00 0.00 O ATOM 416 C2' DC B 6 -6.918 -1.030 3.564 1.00 0.00 C ATOM 417 C1' DC B 6 -6.275 0.327 3.295 1.00 0.00 C ATOM 418 N1 DC B 6 -5.051 0.431 4.091 1.00 0.00 N ATOM 419 C2 DC B 6 -3.834 0.587 3.460 1.00 0.00 C ATOM 420 O2 DC B 6 -3.742 0.425 2.250 1.00 0.00 O ATOM 421 N3 DC B 6 -2.757 0.931 4.213 1.00 0.00 N ATOM 422 C4 DC B 6 -2.867 1.052 5.541 1.00 0.00 C ATOM 423 N4 DC B 6 -1.816 1.526 6.206 1.00 0.00 N ATOM 424 C5 DC B 6 -4.116 0.828 6.219 1.00 0.00 C ATOM 425 C6 DC B 6 -5.178 0.539 5.438 1.00 0.00 C ATOM 0 H5' DC B 6 -9.114 2.128 5.572 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.053 0.652 5.472 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.142 1.264 3.487 1.00 0.00 H new ATOM 0 H3' DC B 6 -8.930 -1.442 4.248 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.562 -1.464 4.498 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.690 -1.745 2.773 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.079 0.446 2.229 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.860 1.633 7.219 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.967 1.782 5.702 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.199 0.888 7.294 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.146 0.391 5.893 1.00 0.00 H new ATOM 437 P DG B 7 -9.222 -2.093 1.487 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.291 -1.861 0.493 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.320 -3.241 2.417 1.00 0.00 O ATOM 440 O5' DG B 7 -7.818 -2.197 0.706 1.00 0.00 O ATOM 441 C5' DG B 7 -7.403 -1.226 -0.239 1.00 0.00 C ATOM 442 C4' DG B 7 -5.987 -1.576 -0.710 1.00 0.00 C ATOM 443 O4' DG B 7 -5.144 -1.491 0.407 1.00 0.00 O ATOM 444 C3' DG B 7 -5.909 -3.019 -1.212 1.00 0.00 C ATOM 445 O3' DG B 7 -5.730 -3.037 -2.610 1.00 0.00 O ATOM 446 C2' DG B 7 -4.635 -3.536 -0.578 1.00 0.00 C ATOM 447 C1' DG B 7 -4.057 -2.348 0.180 1.00 0.00 C ATOM 448 N9 DG B 7 -3.545 -2.694 1.518 1.00 0.00 N ATOM 449 C8 DG B 7 -4.291 -3.129 2.573 1.00 0.00 C ATOM 450 N7 DG B 7 -3.721 -2.980 3.737 1.00 0.00 N ATOM 451 C5 DG B 7 -2.476 -2.439 3.423 1.00 0.00 C ATOM 452 C6 DG B 7 -1.412 -1.995 4.270 1.00 0.00 C ATOM 453 O6 DG B 7 -1.389 -1.937 5.494 1.00 0.00 O ATOM 454 N1 DG B 7 -0.298 -1.578 3.550 1.00 0.00 N ATOM 455 C2 DG B 7 -0.248 -1.527 2.179 1.00 0.00 C ATOM 456 N2 DG B 7 0.914 -1.138 1.676 1.00 0.00 N ATOM 457 N3 DG B 7 -1.263 -1.862 1.375 1.00 0.00 N ATOM 458 C4 DG B 7 -2.343 -2.317 2.059 1.00 0.00 C ATOM 0 H5' DG B 7 -7.418 -0.232 0.208 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.089 -1.205 -1.086 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.705 -0.897 -1.515 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.804 -3.594 -0.973 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.839 -4.370 0.093 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.938 -3.898 -1.333 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.234 -1.936 -0.404 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.273 -3.562 2.455 1.00 0.00 H new ATOM 0 H1 DG B 7 0.531 -1.293 4.071 1.00 0.00 H new ATOM 0 H21 DG B 7 1.036 -1.073 0.665 1.00 0.00 H new ATOM 0 H22 DG B 7 1.687 -0.904 2.299 1.00 0.00 H new ATOM 470 P DT B 8 -6.821 -3.710 -3.580 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.814 -2.693 -3.986 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.264 -4.993 -2.989 1.00 0.00 O ATOM 473 O5' DT B 8 -5.872 -4.046 -4.821 1.00 0.00 O ATOM 474 C5' DT B 8 -5.382 -3.033 -5.672 1.00 0.00 C ATOM 475 C4' DT B 8 -4.145 -3.551 -6.408 1.00 0.00 C ATOM 476 O4' DT B 8 -3.051 -3.590 -5.503 1.00 0.00 O ATOM 477 C3' DT B 8 -4.345 -4.983 -6.932 1.00 0.00 C ATOM 478 O3' DT B 8 -3.888 -5.114 -8.265 1.00 0.00 O ATOM 479 C2' DT B 8 -3.437 -5.792 -6.024 1.00 0.00 C ATOM 480 C1' DT B 8 -2.343 -4.780 -5.767 1.00 0.00 C ATOM 481 N1 DT B 8 -1.493 -5.251 -4.654 1.00 0.00 N ATOM 482 C2 DT B 8 -0.356 -5.984 -4.983 1.00 0.00 C ATOM 483 O2 DT B 8 -0.049 -6.274 -6.136 1.00 0.00 O ATOM 484 N3 DT B 8 0.432 -6.395 -3.926 1.00 0.00 N ATOM 485 C4 DT B 8 0.188 -6.137 -2.590 1.00 0.00 C ATOM 486 O4 DT B 8 0.974 -6.559 -1.744 1.00 0.00 O ATOM 487 C5 DT B 8 -1.024 -5.372 -2.325 1.00 0.00 C ATOM 488 C7 DT B 8 -1.269 -4.919 -0.892 1.00 0.00 C ATOM 489 C6 DT B 8 -1.833 -4.979 -3.352 1.00 0.00 C ATOM 0 H5' DT B 8 -5.130 -2.145 -5.093 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.150 -2.740 -6.388 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.963 -2.881 -7.248 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.392 -5.287 -6.929 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.937 -6.105 -5.108 1.00 0.00 H new ATOM 0 H2'' DT B 8 -3.063 -6.695 -6.507 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.647 -4.626 -6.592 1.00 0.00 H new ATOM 0 H3 DT B 8 1.267 -6.936 -4.151 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.832 -3.986 -0.897 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.837 -5.683 -0.361 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.313 -4.763 -0.391 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.749 -4.449 -3.138 1.00 0.00 H new TER 502 DT B 8