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= -3.34! (180deg=-4.06!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.696 (180deg=-0.521) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -2.86! (180deg=-5.66!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.515 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.877 3.184 -9.993 1.00 0.00 P ATOM 2 OP1 DC A 1 6.414 4.555 -9.857 1.00 0.00 O ATOM 3 OP2 DC A 1 5.223 2.772 -11.255 1.00 0.00 O ATOM 4 O5' DC A 1 7.067 2.145 -9.663 1.00 0.00 O ATOM 5 C5' DC A 1 7.144 0.861 -10.256 1.00 0.00 C ATOM 6 C4' DC A 1 8.454 0.182 -9.832 1.00 0.00 C ATOM 7 O4' DC A 1 9.521 1.091 -10.042 1.00 0.00 O ATOM 8 C3' DC A 1 8.462 -0.233 -8.354 1.00 0.00 C ATOM 9 O3' DC A 1 8.749 -1.617 -8.220 1.00 0.00 O ATOM 10 C2' DC A 1 9.603 0.560 -7.738 1.00 0.00 C ATOM 11 C1' DC A 1 10.407 1.047 -8.942 1.00 0.00 C ATOM 12 N1 DC A 1 10.934 2.412 -8.683 1.00 0.00 N ATOM 13 C2 DC A 1 12.313 2.620 -8.628 1.00 0.00 C ATOM 14 O2 DC A 1 13.105 1.699 -8.814 1.00 0.00 O ATOM 15 N3 DC A 1 12.771 3.876 -8.358 1.00 0.00 N ATOM 16 C4 DC A 1 11.921 4.890 -8.147 1.00 0.00 C ATOM 17 N4 DC A 1 12.425 6.094 -7.874 1.00 0.00 N ATOM 18 C5 DC A 1 10.501 4.700 -8.196 1.00 0.00 C ATOM 19 C6 DC A 1 10.060 3.450 -8.468 1.00 0.00 C ATOM 0 H5' DC A 1 7.101 0.946 -11.342 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.291 0.255 -9.950 1.00 0.00 H new ATOM 0 H4' DC A 1 8.560 -0.723 -10.431 1.00 0.00 H new ATOM 0 H3' DC A 1 7.497 -0.047 -7.882 1.00 0.00 H new ATOM 0 H2' DC A 1 9.233 1.394 -7.141 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.209 -0.060 -7.078 1.00 0.00 H new ATOM 0 H1' DC A 1 11.249 0.382 -9.136 1.00 0.00 H new ATOM 0 H41 DC A 1 11.800 6.883 -7.709 1.00 0.00 H new ATOM 0 H42 DC A 1 13.435 6.226 -7.830 1.00 0.00 H new ATOM 0 H5 DC A 1 9.815 5.516 -8.024 1.00 0.00 H new ATOM 0 H6 DC A 1 8.997 3.264 -8.517 1.00 0.00 H new ATOM 31 P DC A 2 7.634 -2.687 -7.741 1.00 0.00 P ATOM 32 OP1 DC A 2 8.036 -4.017 -8.251 1.00 0.00 O ATOM 33 OP2 DC A 2 6.300 -2.148 -8.085 1.00 0.00 O ATOM 34 O5' DC A 2 7.767 -2.721 -6.124 1.00 0.00 O ATOM 35 C5' DC A 2 8.250 -1.604 -5.399 1.00 0.00 C ATOM 36 C4' DC A 2 7.941 -1.606 -3.894 1.00 0.00 C ATOM 37 O4' DC A 2 6.883 -0.749 -3.516 1.00 0.00 O ATOM 38 C3' DC A 2 7.732 -2.945 -3.187 1.00 0.00 C ATOM 39 O3' DC A 2 8.398 -2.866 -1.936 1.00 0.00 O ATOM 40 C2' DC A 2 6.217 -2.976 -3.061 1.00 0.00 C ATOM 41 C1' DC A 2 5.824 -1.502 -2.967 1.00 0.00 C ATOM 42 N1 DC A 2 4.654 -1.233 -3.812 1.00 0.00 N ATOM 43 C2 DC A 2 3.525 -0.667 -3.252 1.00 0.00 C ATOM 44 O2 DC A 2 3.435 -0.545 -2.038 1.00 0.00 O ATOM 45 N3 DC A 2 2.526 -0.249 -4.074 1.00 0.00 N ATOM 46 C4 DC A 2 2.616 -0.436 -5.396 1.00 0.00 C ATOM 47 N4 DC A 2 1.669 0.096 -6.165 1.00 0.00 N ATOM 48 C5 DC A 2 3.769 -1.050 -5.993 1.00 0.00 C ATOM 49 C6 DC A 2 4.769 -1.402 -5.156 1.00 0.00 C ATOM 0 H5' DC A 2 7.829 -0.699 -5.837 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.331 -1.548 -5.530 1.00 0.00 H new ATOM 0 H4' DC A 2 8.902 -1.229 -3.544 1.00 0.00 H new ATOM 0 H3' DC A 2 8.115 -3.839 -3.679 1.00 0.00 H new ATOM 0 H2' DC A 2 5.755 -3.458 -3.922 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.901 -3.531 -2.177 1.00 0.00 H new ATOM 0 H1' DC A 2 5.610 -1.252 -1.928 1.00 0.00 H new ATOM 0 H41 DC A 2 1.705 -0.026 -7.177 1.00 0.00 H new ATOM 0 H42 DC A 2 0.907 0.626 -5.742 1.00 0.00 H new ATOM 0 H5 DC A 2 3.833 -1.222 -7.057 1.00 0.00 H new ATOM 0 H6 DC A 2 5.676 -1.825 -5.562 1.00 0.00 H new ATOM 61 P DG A 3 8.432 -4.083 -0.878 1.00 0.00 P ATOM 62 OP1 DG A 3 9.569 -3.862 0.043 1.00 0.00 O ATOM 63 OP2 DG A 3 8.332 -5.356 -1.627 1.00 0.00 O ATOM 64 O5' DG A 3 7.066 -3.877 -0.053 1.00 0.00 O ATOM 65 C5' DG A 3 6.861 -2.761 0.797 1.00 0.00 C ATOM 66 C4' DG A 3 5.400 -2.750 1.258 1.00 0.00 C ATOM 67 O4' DG A 3 4.625 -2.622 0.093 1.00 0.00 O ATOM 68 C3' DG A 3 4.981 -4.069 1.916 1.00 0.00 C ATOM 69 O3' DG A 3 4.797 -3.924 3.308 1.00 0.00 O ATOM 70 C2' DG A 3 3.608 -4.319 1.316 1.00 0.00 C ATOM 71 C1' DG A 3 3.360 -3.145 0.378 1.00 0.00 C ATOM 72 N9 DG A 3 2.759 -3.542 -0.907 1.00 0.00 N ATOM 73 C8 DG A 3 3.327 -4.352 -1.846 1.00 0.00 C ATOM 74 N7 DG A 3 2.778 -4.275 -3.026 1.00 0.00 N ATOM 75 C5 DG A 3 1.725 -3.383 -2.837 1.00 0.00 C ATOM 76 C6 DG A 3 0.764 -2.876 -3.764 1.00 0.00 C ATOM 77 O6 DG A 3 0.710 -3.061 -4.975 1.00 0.00 O ATOM 78 N1 DG A 3 -0.197 -2.076 -3.153 1.00 0.00 N ATOM 79 C2 DG A 3 -0.188 -1.742 -1.820 1.00 0.00 C ATOM 80 N2 DG A 3 -1.236 -1.040 -1.398 1.00 0.00 N ATOM 81 N3 DG A 3 0.752 -2.155 -0.959 1.00 0.00 N ATOM 82 C4 DG A 3 1.672 -2.976 -1.526 1.00 0.00 C ATOM 0 H5' DG A 3 7.097 -1.837 0.269 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.527 -2.815 1.658 1.00 0.00 H new ATOM 0 H4' DG A 3 5.267 -1.947 1.983 1.00 0.00 H new ATOM 0 H3' DG A 3 5.725 -4.850 1.758 1.00 0.00 H new ATOM 0 H2' DG A 3 3.581 -5.266 0.777 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.844 -4.372 2.091 1.00 0.00 H new ATOM 0 H1' DG A 3 2.672 -2.450 0.858 1.00 0.00 H new ATOM 0 H8 DG A 3 4.162 -5.003 -1.630 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.956 -1.715 -3.731 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.299 -0.756 -0.421 1.00 0.00 H new ATOM 0 H22 DG A 3 -1.977 -0.786 -2.052 1.00 0.00 H new ATOM 94 P DT A 4 5.886 -4.488 4.349 1.00 0.00 P ATOM 95 OP1 DT A 4 7.043 -3.568 4.386 1.00 0.00 O ATOM 96 OP2 DT A 4 6.088 -5.929 4.080 1.00 0.00 O ATOM 97 O5' DT A 4 5.062 -4.352 5.717 1.00 0.00 O ATOM 98 C5' DT A 4 4.923 -3.108 6.369 1.00 0.00 C ATOM 99 C4' DT A 4 3.674 -3.127 7.251 1.00 0.00 C ATOM 100 O4' DT A 4 2.534 -3.057 6.409 1.00 0.00 O ATOM 101 C3' DT A 4 3.546 -4.415 8.081 1.00 0.00 C ATOM 102 O3' DT A 4 3.123 -4.122 9.400 1.00 0.00 O ATOM 103 C2' DT A 4 2.404 -5.139 7.386 1.00 0.00 C ATOM 104 C1' DT A 4 1.578 -3.952 6.926 1.00 0.00 C ATOM 105 N1 DT A 4 0.572 -4.378 5.933 1.00 0.00 N ATOM 106 C2 DT A 4 -0.719 -4.649 6.384 1.00 0.00 C ATOM 107 O2 DT A 4 -1.062 -4.536 7.558 1.00 0.00 O ATOM 108 N3 DT A 4 -1.623 -5.075 5.428 1.00 0.00 N ATOM 109 C4 DT A 4 -1.349 -5.267 4.085 1.00 0.00 C ATOM 110 O4 DT A 4 -2.246 -5.640 3.334 1.00 0.00 O ATOM 111 C5 DT A 4 0.030 -4.995 3.702 1.00 0.00 C ATOM 112 C7 DT A 4 0.430 -5.153 2.249 1.00 0.00 C ATOM 113 C6 DT A 4 0.936 -4.572 4.625 1.00 0.00 C ATOM 0 H5' DT A 4 4.849 -2.307 5.633 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.805 -2.903 6.975 1.00 0.00 H new ATOM 0 H4' DT A 4 3.750 -2.283 7.937 1.00 0.00 H new ATOM 0 H3' DT A 4 4.484 -4.967 8.144 1.00 0.00 H new ATOM 0 H2' DT A 4 2.746 -5.755 6.555 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.853 -5.793 8.062 1.00 0.00 H new ATOM 0 H1' DT A 4 0.995 -3.484 7.719 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.575 -5.264 5.740 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.185 -5.923 1.784 1.00 0.00 H new ATOM 0 H72 DT A 4 0.284 -4.208 1.727 1.00 0.00 H new ATOM 0 H73 DT A 4 1.479 -5.442 2.190 1.00 0.00 H new ATOM 0 H6 DT A 4 1.956 -4.386 4.323 1.00 0.00 H new ATOM 126 P DC A 5 4.161 -3.961 10.623 1.00 0.00 P ATOM 127 OP1 DC A 5 4.873 -5.247 10.797 1.00 0.00 O ATOM 128 OP2 DC A 5 3.417 -3.377 11.761 1.00 0.00 O ATOM 129 O5' DC A 5 5.219 -2.865 10.093 1.00 0.00 O ATOM 130 C5' DC A 5 5.967 -2.058 10.988 1.00 0.00 C ATOM 131 C4' DC A 5 7.456 -2.096 10.633 1.00 0.00 C ATOM 132 O4' DC A 5 7.924 -3.421 10.812 1.00 0.00 O ATOM 133 C3' DC A 5 7.744 -1.697 9.180 1.00 0.00 C ATOM 134 O3' DC A 5 8.611 -0.582 9.123 1.00 0.00 O ATOM 135 C2' DC A 5 8.498 -2.889 8.605 1.00 0.00 C ATOM 136 C1' DC A 5 8.908 -3.691 9.836 1.00 0.00 C ATOM 137 N1 DC A 5 8.895 -5.141 9.520 1.00 0.00 N ATOM 138 C2 DC A 5 10.080 -5.875 9.565 1.00 0.00 C ATOM 139 O2 DC A 5 11.142 -5.351 9.894 1.00 0.00 O ATOM 140 N3 DC A 5 10.036 -7.197 9.232 1.00 0.00 N ATOM 141 C4 DC A 5 8.888 -7.777 8.863 1.00 0.00 C ATOM 142 N4 DC A 5 8.907 -9.070 8.536 1.00 0.00 N ATOM 143 C5 DC A 5 7.658 -7.040 8.805 1.00 0.00 C ATOM 144 C6 DC A 5 7.716 -5.731 9.144 1.00 0.00 C ATOM 0 H5' DC A 5 5.822 -2.409 12.010 1.00 0.00 H new ATOM 0 H5'' DC A 5 5.605 -1.031 10.949 1.00 0.00 H new ATOM 0 H4' DC A 5 7.957 -1.378 11.283 1.00 0.00 H new ATOM 0 H3' DC A 5 6.825 -1.444 8.652 1.00 0.00 H new ATOM 0 H2' DC A 5 7.868 -3.476 7.937 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.366 -2.572 8.027 1.00 0.00 H new ATOM 0 H1' DC A 5 9.909 -3.424 10.174 1.00 0.00 H new ATOM 0 H41 DC A 5 8.046 -9.537 8.251 1.00 0.00 H new ATOM 0 H42 DC A 5 9.783 -9.592 8.571 1.00 0.00 H new ATOM 0 H5 DC A 5 6.731 -7.507 8.505 1.00 0.00 H new ATOM 0 H6 DC A 5 6.814 -5.138 9.118 1.00 0.00 H new ATOM 156 P DC A 6 8.072 0.901 8.796 1.00 0.00 P ATOM 157 OP1 DC A 6 9.222 1.829 8.872 1.00 0.00 O ATOM 158 OP2 DC A 6 6.869 1.152 9.620 1.00 0.00 O ATOM 159 O5' DC A 6 7.616 0.793 7.251 1.00 0.00 O ATOM 160 C5' DC A 6 8.383 0.072 6.308 1.00 0.00 C ATOM 161 C4' DC A 6 7.845 0.129 4.875 1.00 0.00 C ATOM 162 O4' DC A 6 6.629 -0.535 4.621 1.00 0.00 O ATOM 163 C3' DC A 6 7.838 1.499 4.199 1.00 0.00 C ATOM 164 O3' DC A 6 8.588 1.371 3.000 1.00 0.00 O ATOM 165 C2' DC A 6 6.354 1.726 3.979 1.00 0.00 C ATOM 166 C1' DC A 6 5.777 0.317 3.879 1.00 0.00 C ATOM 167 N1 DC A 6 4.492 0.280 4.582 1.00 0.00 N ATOM 168 C2 DC A 6 3.335 0.006 3.880 1.00 0.00 C ATOM 169 O2 DC A 6 3.362 -0.068 2.660 1.00 0.00 O ATOM 170 N3 DC A 6 2.182 -0.182 4.575 1.00 0.00 N ATOM 171 C4 DC A 6 2.168 -0.062 5.907 1.00 0.00 C ATOM 172 N4 DC A 6 1.030 -0.351 6.537 1.00 0.00 N ATOM 173 C5 DC A 6 3.361 0.255 6.652 1.00 0.00 C ATOM 174 C6 DC A 6 4.498 0.401 5.933 1.00 0.00 C ATOM 0 H5' DC A 6 8.435 -0.971 6.622 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.402 0.459 6.316 1.00 0.00 H new ATOM 0 H4' DC A 6 8.629 -0.460 4.400 1.00 0.00 H new ATOM 0 H3' DC A 6 8.281 2.333 4.743 1.00 0.00 H new ATOM 0 H2' DC A 6 5.909 2.282 4.804 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.168 2.299 3.071 1.00 0.00 H new ATOM 0 H1' DC A 6 5.676 0.027 2.833 1.00 0.00 H new ATOM 0 H41 DC A 6 0.975 -0.273 7.553 1.00 0.00 H new ATOM 0 H42 DC A 6 0.214 -0.650 6.004 1.00 0.00 H new ATOM 0 H5 DC A 6 3.348 0.370 7.726 1.00 0.00 H new ATOM 0 H6 DC A 6 5.425 0.617 6.443 1.00 0.00 H new ATOM 186 P DG A 7 8.833 2.588 1.974 1.00 0.00 P ATOM 187 OP1 DG A 7 10.008 2.260 1.138 1.00 0.00 O ATOM 188 OP2 DG A 7 8.802 3.857 2.736 1.00 0.00 O ATOM 189 O5' DG A 7 7.518 2.522 1.051 1.00 0.00 O ATOM 190 C5' DG A 7 7.243 1.420 0.203 1.00 0.00 C ATOM 191 C4' DG A 7 5.837 1.597 -0.381 1.00 0.00 C ATOM 192 O4' DG A 7 4.966 1.601 0.721 1.00 0.00 O ATOM 193 C3' DG A 7 5.664 2.950 -1.071 1.00 0.00 C ATOM 194 O3' DG A 7 5.620 2.833 -2.476 1.00 0.00 O ATOM 195 C2' DG A 7 4.258 3.335 -0.637 1.00 0.00 C ATOM 196 C1' DG A 7 3.794 2.237 0.302 1.00 0.00 C ATOM 197 N9 DG A 7 3.111 2.767 1.498 1.00 0.00 N ATOM 198 C8 DG A 7 3.688 3.474 2.512 1.00 0.00 C ATOM 199 N7 DG A 7 2.963 3.549 3.594 1.00 0.00 N ATOM 200 C5 DG A 7 1.781 2.902 3.240 1.00 0.00 C ATOM 201 C6 DG A 7 0.591 2.657 3.994 1.00 0.00 C ATOM 202 O6 DG A 7 0.396 2.875 5.185 1.00 0.00 O ATOM 203 N1 DG A 7 -0.431 2.113 3.222 1.00 0.00 N ATOM 204 C2 DG A 7 -0.296 1.775 1.897 1.00 0.00 C ATOM 205 N2 DG A 7 -1.396 1.326 1.298 1.00 0.00 N ATOM 206 N3 DG A 7 0.840 1.925 1.207 1.00 0.00 N ATOM 207 C4 DG A 7 1.836 2.497 1.928 1.00 0.00 C ATOM 0 H5' DG A 7 7.307 0.486 0.762 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.981 1.364 -0.597 1.00 0.00 H new ATOM 0 H4' DG A 7 5.649 0.809 -1.110 1.00 0.00 H new ATOM 0 H3' DG A 7 6.473 3.637 -0.822 1.00 0.00 H new ATOM 0 H2' DG A 7 4.256 4.303 -0.136 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.594 3.419 -1.497 1.00 0.00 H new ATOM 0 H1' DG A 7 3.086 1.585 -0.209 1.00 0.00 H new ATOM 0 H8 DG A 7 4.662 3.933 2.426 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.335 1.956 3.667 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.368 1.057 0.315 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.268 1.251 1.822 1.00 0.00 H new ATOM 219 P DT A 8 6.894 3.207 -3.382 1.00 0.00 P ATOM 220 OP1 DT A 8 7.902 2.132 -3.271 1.00 0.00 O ATOM 221 OP2 DT A 8 7.267 4.612 -3.105 1.00 0.00 O ATOM 222 O5' DT A 8 6.227 3.149 -4.840 1.00 0.00 O ATOM 223 C5' DT A 8 5.952 1.916 -5.469 1.00 0.00 C ATOM 224 C4' DT A 8 4.871 2.102 -6.533 1.00 0.00 C ATOM 225 O4' DT A 8 3.633 2.360 -5.892 1.00 0.00 O ATOM 226 C3' DT A 8 5.163 3.290 -7.454 1.00 0.00 C ATOM 227 O3' DT A 8 4.845 2.928 -8.787 1.00 0.00 O ATOM 228 C2' DT A 8 4.176 4.336 -6.957 1.00 0.00 C ATOM 229 C1' DT A 8 3.016 3.446 -6.546 1.00 0.00 C ATOM 230 N1 DT A 8 2.080 4.190 -5.674 1.00 0.00 N ATOM 231 C2 DT A 8 0.969 4.796 -6.257 1.00 0.00 C ATOM 232 O2 DT A 8 0.733 4.752 -7.462 1.00 0.00 O ATOM 233 N3 DT A 8 0.118 5.468 -5.397 1.00 0.00 N ATOM 234 C4 DT A 8 0.287 5.599 -4.028 1.00 0.00 C ATOM 235 O4 DT A 8 -0.564 6.186 -3.365 1.00 0.00 O ATOM 236 C5 DT A 8 1.505 4.994 -3.507 1.00 0.00 C ATOM 237 C7 DT A 8 1.798 5.087 -2.022 1.00 0.00 C ATOM 238 C6 DT A 8 2.348 4.320 -4.337 1.00 0.00 C ATOM 0 H5' DT A 8 5.624 1.186 -4.729 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.859 1.521 -5.926 1.00 0.00 H new ATOM 0 H4' DT A 8 4.844 1.190 -7.130 1.00 0.00 H new ATOM 0 H3' DT A 8 6.200 3.625 -7.442 1.00 0.00 H new ATOM 0 H2' DT A 8 4.571 4.915 -6.122 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.898 5.047 -7.735 1.00 0.00 H new ATOM 0 H1' DT A 8 2.407 3.105 -7.383 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.707 5.906 -5.807 1.00 0.00 H new ATOM 0 H71 DT A 8 1.364 6.004 -1.622 1.00 0.00 H new ATOM 0 H72 DT A 8 1.364 4.227 -1.511 1.00 0.00 H new ATOM 0 H73 DT A 8 2.876 5.097 -1.864 1.00 0.00 H new ATOM 0 H6 DT A 8 3.247 3.879 -3.933 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.610 -5.258 -9.536 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.239 -6.541 -9.153 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.753 -5.191 -10.741 1.00 0.00 O ATOM 255 O5' DC B 1 -5.777 -4.152 -9.672 1.00 0.00 O ATOM 256 C5' DC B 1 -5.646 -2.995 -10.477 1.00 0.00 C ATOM 257 C4' DC B 1 -7.006 -2.289 -10.572 1.00 0.00 C ATOM 258 O4' DC B 1 -7.976 -3.237 -10.985 1.00 0.00 O ATOM 259 C3' DC B 1 -7.463 -1.693 -9.235 1.00 0.00 C ATOM 260 O3' DC B 1 -7.864 -0.340 -9.386 1.00 0.00 O ATOM 261 C2' DC B 1 -8.681 -2.511 -8.838 1.00 0.00 C ATOM 262 C1' DC B 1 -9.117 -3.159 -10.152 1.00 0.00 C ATOM 263 N1 DC B 1 -9.638 -4.533 -9.922 1.00 0.00 N ATOM 264 C2 DC B 1 -10.917 -4.870 -10.370 1.00 0.00 C ATOM 265 O2 DC B 1 -11.635 -4.043 -10.927 1.00 0.00 O ATOM 266 N3 DC B 1 -11.360 -6.145 -10.175 1.00 0.00 N ATOM 267 C4 DC B 1 -10.591 -7.059 -9.573 1.00 0.00 C ATOM 268 N4 DC B 1 -11.076 -8.291 -9.407 1.00 0.00 N ATOM 269 C5 DC B 1 -9.273 -6.740 -9.106 1.00 0.00 C ATOM 270 C6 DC B 1 -8.846 -5.472 -9.306 1.00 0.00 C ATOM 0 H5' DC B 1 -5.294 -3.268 -11.472 1.00 0.00 H new ATOM 0 H5'' DC B 1 -4.903 -2.322 -10.049 1.00 0.00 H new ATOM 0 H4' DC B 1 -6.899 -1.470 -11.283 1.00 0.00 H new ATOM 0 H3' DC B 1 -6.658 -1.720 -8.501 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.435 -3.258 -8.084 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.468 -1.883 -8.419 1.00 0.00 H new ATOM 0 H1' DC B 1 -9.910 -2.565 -10.607 1.00 0.00 H new ATOM 0 H41 DC B 1 -10.509 -9.005 -8.951 1.00 0.00 H new ATOM 0 H42 DC B 1 -12.014 -8.518 -9.736 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.651 -7.476 -8.618 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.858 -5.191 -8.973 1.00 0.00 H new ATOM 282 P DC B 2 -6.865 0.890 -9.072 1.00 0.00 P ATOM 283 OP1 DC B 2 -7.248 2.030 -9.932 1.00 0.00 O ATOM 284 OP2 DC B 2 -5.474 0.392 -9.143 1.00 0.00 O ATOM 285 O5' DC B 2 -7.176 1.306 -7.537 1.00 0.00 O ATOM 286 C5' DC B 2 -7.812 0.412 -6.642 1.00 0.00 C ATOM 287 C4' DC B 2 -7.622 0.725 -5.150 1.00 0.00 C ATOM 288 O4' DC B 2 -6.589 -0.008 -4.525 1.00 0.00 O ATOM 289 C3' DC B 2 -7.502 2.183 -4.703 1.00 0.00 C ATOM 290 O3' DC B 2 -8.318 2.326 -3.553 1.00 0.00 O ATOM 291 C2' DC B 2 -6.013 2.285 -4.412 1.00 0.00 C ATOM 292 C1' DC B 2 -5.623 0.871 -3.988 1.00 0.00 C ATOM 293 N1 DC B 2 -4.349 0.506 -4.618 1.00 0.00 N ATOM 294 C2 DC B 2 -3.273 0.154 -3.828 1.00 0.00 C ATOM 295 O2 DC B 2 -3.314 0.328 -2.617 1.00 0.00 O ATOM 296 N3 DC B 2 -2.181 -0.391 -4.426 1.00 0.00 N ATOM 297 C4 DC B 2 -2.128 -0.519 -5.757 1.00 0.00 C ATOM 298 N4 DC B 2 -1.105 -1.191 -6.280 1.00 0.00 N ATOM 299 C5 DC B 2 -3.214 -0.098 -6.598 1.00 0.00 C ATOM 300 C6 DC B 2 -4.311 0.378 -5.970 1.00 0.00 C ATOM 0 H5' DC B 2 -7.440 -0.594 -6.835 1.00 0.00 H new ATOM 0 H5'' DC B 2 -8.880 0.404 -6.861 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.604 0.395 -4.811 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.822 2.956 -5.402 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.455 2.606 -5.292 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.809 3.009 -3.623 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.552 0.816 -2.902 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.034 -1.307 -7.291 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.392 -1.590 -5.670 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.156 -0.159 -7.675 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.174 0.662 -6.554 1.00 0.00 H new ATOM 312 P DG B 3 -8.444 3.703 -2.726 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.674 3.636 -1.907 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.243 4.831 -3.663 1.00 0.00 O ATOM 315 O5' DG B 3 -7.175 3.631 -1.740 1.00 0.00 O ATOM 316 C5' DG B 3 -7.047 2.617 -0.757 1.00 0.00 C ATOM 317 C4' DG B 3 -5.678 2.737 -0.081 1.00 0.00 C ATOM 318 O4' DG B 3 -4.704 2.518 -1.065 1.00 0.00 O ATOM 319 C3' DG B 3 -5.439 4.141 0.472 1.00 0.00 C ATOM 320 O3' DG B 3 -5.491 4.110 1.881 1.00 0.00 O ATOM 321 C2' DG B 3 -4.015 4.439 0.057 1.00 0.00 C ATOM 322 C1' DG B 3 -3.538 3.181 -0.657 1.00 0.00 C ATOM 323 N9 DG B 3 -2.789 3.442 -1.899 1.00 0.00 N ATOM 324 C8 DG B 3 -3.291 3.992 -3.045 1.00 0.00 C ATOM 325 N7 DG B 3 -2.605 3.712 -4.120 1.00 0.00 N ATOM 326 C5 DG B 3 -1.537 2.955 -3.640 1.00 0.00 C ATOM 327 C6 DG B 3 -0.477 2.290 -4.335 1.00 0.00 C ATOM 328 O6 DG B 3 -0.316 2.177 -5.546 1.00 0.00 O ATOM 329 N1 DG B 3 0.440 1.702 -3.470 1.00 0.00 N ATOM 330 C2 DG B 3 0.294 1.674 -2.109 1.00 0.00 C ATOM 331 N2 DG B 3 1.282 1.075 -1.462 1.00 0.00 N ATOM 332 N3 DG B 3 -0.739 2.210 -1.450 1.00 0.00 N ATOM 333 C4 DG B 3 -1.611 2.846 -2.272 1.00 0.00 C ATOM 0 H5' DG B 3 -7.154 1.634 -1.216 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.841 2.711 -0.016 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.633 2.019 0.738 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.170 4.868 0.118 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.970 5.307 -0.601 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.391 4.662 0.922 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.885 2.637 0.025 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.179 4.606 -3.060 1.00 0.00 H new ATOM 0 H1 DG B 3 1.269 1.266 -3.873 1.00 0.00 H new ATOM 0 H21 DG B 3 1.258 1.007 -0.445 1.00 0.00 H new ATOM 0 H22 DG B 3 2.067 0.682 -1.981 1.00 0.00 H new ATOM 345 P DT B 4 -6.418 5.137 2.701 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.714 4.489 2.997 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.377 6.458 2.036 1.00 0.00 O ATOM 348 O5' DT B 4 -5.565 5.243 4.049 1.00 0.00 O ATOM 349 C5' DT B 4 -5.496 4.171 4.961 1.00 0.00 C ATOM 350 C4' DT B 4 -4.293 4.382 5.879 1.00 0.00 C ATOM 351 O4' DT B 4 -3.102 4.201 5.128 1.00 0.00 O ATOM 352 C3' DT B 4 -4.260 5.811 6.445 1.00 0.00 C ATOM 353 O3' DT B 4 -3.932 5.805 7.823 1.00 0.00 O ATOM 354 C2' DT B 4 -3.106 6.436 5.679 1.00 0.00 C ATOM 355 C1' DT B 4 -2.213 5.223 5.518 1.00 0.00 C ATOM 356 N1 DT B 4 -1.152 5.513 4.532 1.00 0.00 N ATOM 357 C2 DT B 4 0.069 5.972 5.021 1.00 0.00 C ATOM 358 O2 DT B 4 0.280 6.195 6.211 1.00 0.00 O ATOM 359 N3 DT B 4 1.062 6.181 4.084 1.00 0.00 N ATOM 360 C4 DT B 4 0.942 5.970 2.723 1.00 0.00 C ATOM 361 O4 DT B 4 1.912 6.177 1.998 1.00 0.00 O ATOM 362 C5 DT B 4 -0.371 5.516 2.286 1.00 0.00 C ATOM 363 C7 DT B 4 -0.536 5.142 0.822 1.00 0.00 C ATOM 364 C6 DT B 4 -1.377 5.327 3.192 1.00 0.00 C ATOM 0 H5' DT B 4 -5.401 3.226 4.426 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.413 4.115 5.548 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.372 3.668 6.699 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.216 6.326 6.346 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.418 6.854 4.722 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.622 7.239 6.235 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.673 4.931 6.419 1.00 0.00 H new ATOM 0 H3 DT B 4 1.961 6.520 4.426 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.299 4.369 0.728 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.838 6.022 0.254 1.00 0.00 H new ATOM 0 H73 DT B 4 0.411 4.766 0.434 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.357 5.029 2.850 1.00 0.00 H new ATOM 377 P DC B 5 -5.050 5.684 8.982 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.912 6.883 8.918 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.339 5.366 10.240 1.00 0.00 O ATOM 380 O5' DC B 5 -5.925 4.391 8.560 1.00 0.00 O ATOM 381 C5' DC B 5 -6.764 3.719 9.487 1.00 0.00 C ATOM 382 C4' DC B 5 -8.252 3.878 9.146 1.00 0.00 C ATOM 383 O4' DC B 5 -8.598 5.248 9.170 1.00 0.00 O ATOM 384 C3' DC B 5 -8.623 3.344 7.755 1.00 0.00 C ATOM 385 O3' DC B 5 -9.583 2.307 7.840 1.00 0.00 O ATOM 386 C2' DC B 5 -9.312 4.515 7.069 1.00 0.00 C ATOM 387 C1' DC B 5 -9.625 5.460 8.227 1.00 0.00 C ATOM 388 N1 DC B 5 -9.592 6.874 7.779 1.00 0.00 N ATOM 389 C2 DC B 5 -10.706 7.691 7.969 1.00 0.00 C ATOM 390 O2 DC B 5 -11.740 7.255 8.471 1.00 0.00 O ATOM 391 N3 DC B 5 -10.627 8.996 7.583 1.00 0.00 N ATOM 392 C4 DC B 5 -9.508 9.485 7.033 1.00 0.00 C ATOM 393 N4 DC B 5 -9.487 10.771 6.679 1.00 0.00 N ATOM 394 C5 DC B 5 -8.354 8.662 6.819 1.00 0.00 C ATOM 395 C6 DC B 5 -8.447 7.370 7.212 1.00 0.00 C ATOM 0 H5' DC B 5 -6.579 4.107 10.489 1.00 0.00 H new ATOM 0 H5'' DC B 5 -6.508 2.660 9.504 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.793 3.298 9.893 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.740 2.962 7.243 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.665 4.985 6.328 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.217 4.202 6.549 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.618 5.269 8.634 1.00 0.00 H new ATOM 0 H41 DC B 5 -8.648 11.170 6.258 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.310 11.355 6.829 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.455 9.053 6.367 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.599 6.715 7.076 1.00 0.00 H new ATOM 407 P DC B 6 -9.169 0.749 7.840 1.00 0.00 P ATOM 408 OP1 DC B 6 -10.406 -0.049 7.989 1.00 0.00 O ATOM 409 OP2 DC B 6 -8.052 0.559 8.791 1.00 0.00 O ATOM 410 O5' DC B 6 -8.605 0.523 6.345 1.00 0.00 O ATOM 411 C5' DC B 6 -9.267 1.062 5.218 1.00 0.00 C ATOM 412 C4' DC B 6 -8.573 0.764 3.883 1.00 0.00 C ATOM 413 O4' DC B 6 -7.315 1.359 3.666 1.00 0.00 O ATOM 414 C3' DC B 6 -8.536 -0.694 3.421 1.00 0.00 C ATOM 415 O3' DC B 6 -9.131 -0.728 2.131 1.00 0.00 O ATOM 416 C2' DC B 6 -7.046 -0.983 3.432 1.00 0.00 C ATOM 417 C1' DC B 6 -6.417 0.381 3.177 1.00 0.00 C ATOM 418 N1 DC B 6 -5.216 0.508 4.002 1.00 0.00 N ATOM 419 C2 DC B 6 -3.985 0.642 3.395 1.00 0.00 C ATOM 420 O2 DC B 6 -3.871 0.475 2.189 1.00 0.00 O ATOM 421 N3 DC B 6 -2.917 0.967 4.166 1.00 0.00 N ATOM 422 C4 DC B 6 -3.051 1.094 5.490 1.00 0.00 C ATOM 423 N4 DC B 6 -1.992 1.529 6.169 1.00 0.00 N ATOM 424 C5 DC B 6 -4.318 0.896 6.146 1.00 0.00 C ATOM 425 C6 DC B 6 -5.372 0.622 5.345 1.00 0.00 C ATOM 0 H5' DC B 6 -9.348 2.142 5.340 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.283 0.668 5.183 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.289 1.282 3.245 1.00 0.00 H new ATOM 0 H3' DC B 6 -9.073 -1.431 4.018 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.725 -1.401 4.386 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.771 -1.702 2.661 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.194 0.496 2.116 1.00 0.00 H new ATOM 0 H41 DC B 6 -2.046 1.642 7.181 1.00 0.00 H new ATOM 0 H42 DC B 6 -1.126 1.749 5.677 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.420 0.963 7.219 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.352 0.492 5.780 1.00 0.00 H new ATOM 437 P DG B 7 -9.253 -2.064 1.243 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.228 -1.828 0.153 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.426 -3.222 2.146 1.00 0.00 O ATOM 440 O5' DG B 7 -7.802 -2.161 0.570 1.00 0.00 O ATOM 441 C5' DG B 7 -7.314 -1.175 -0.322 1.00 0.00 C ATOM 442 C4' DG B 7 -5.897 -1.562 -0.746 1.00 0.00 C ATOM 443 O4' DG B 7 -5.084 -1.447 0.390 1.00 0.00 O ATOM 444 C3' DG B 7 -5.822 -3.026 -1.186 1.00 0.00 C ATOM 445 O3' DG B 7 -5.632 -3.117 -2.577 1.00 0.00 O ATOM 446 C2' DG B 7 -4.547 -3.507 -0.527 1.00 0.00 C ATOM 447 C1' DG B 7 -3.984 -2.297 0.205 1.00 0.00 C ATOM 448 N9 DG B 7 -3.486 -2.603 1.558 1.00 0.00 N ATOM 449 C8 DG B 7 -4.242 -3.016 2.616 1.00 0.00 C ATOM 450 N7 DG B 7 -3.685 -2.835 3.782 1.00 0.00 N ATOM 451 C5 DG B 7 -2.434 -2.308 3.468 1.00 0.00 C ATOM 452 C6 DG B 7 -1.366 -1.871 4.315 1.00 0.00 C ATOM 453 O6 DG B 7 -1.352 -1.785 5.539 1.00 0.00 O ATOM 454 N1 DG B 7 -0.231 -1.512 3.597 1.00 0.00 N ATOM 455 C2 DG B 7 -0.168 -1.492 2.225 1.00 0.00 C ATOM 456 N2 DG B 7 1.004 -1.138 1.718 1.00 0.00 N ATOM 457 N3 DG B 7 -1.186 -1.818 1.421 1.00 0.00 N ATOM 458 C4 DG B 7 -2.285 -2.226 2.103 1.00 0.00 C ATOM 0 H5' DG B 7 -7.311 -0.197 0.159 1.00 0.00 H new ATOM 0 H5'' DG B 7 -7.963 -1.099 -1.194 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.590 -0.921 -1.572 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.723 -3.583 -0.928 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.748 -4.325 0.165 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.840 -3.881 -1.267 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.153 -1.894 -0.374 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.221 -3.457 2.498 1.00 0.00 H new ATOM 0 H1 DG B 7 0.604 -1.248 4.120 1.00 0.00 H new ATOM 0 H21 DG B 7 1.131 -1.099 0.707 1.00 0.00 H new ATOM 0 H22 DG B 7 1.779 -0.905 2.339 1.00 0.00 H new ATOM 470 P DT B 8 -6.787 -3.679 -3.536 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.765 -2.600 -3.802 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.256 -4.976 -3.003 1.00 0.00 O ATOM 473 O5' DT B 8 -5.907 -3.956 -4.845 1.00 0.00 O ATOM 474 C5' DT B 8 -5.336 -2.899 -5.587 1.00 0.00 C ATOM 475 C4' DT B 8 -4.083 -3.380 -6.322 1.00 0.00 C ATOM 476 O4' DT B 8 -3.000 -3.495 -5.411 1.00 0.00 O ATOM 477 C3' DT B 8 -4.270 -4.758 -6.964 1.00 0.00 C ATOM 478 O3' DT B 8 -3.756 -4.725 -8.283 1.00 0.00 O ATOM 479 C2' DT B 8 -3.401 -5.649 -6.095 1.00 0.00 C ATOM 480 C1' DT B 8 -2.298 -4.673 -5.747 1.00 0.00 C ATOM 481 N1 DT B 8 -1.480 -5.230 -4.650 1.00 0.00 N ATOM 482 C2 DT B 8 -0.356 -5.974 -5.000 1.00 0.00 C ATOM 483 O2 DT B 8 -0.054 -6.234 -6.161 1.00 0.00 O ATOM 484 N3 DT B 8 0.423 -6.428 -3.952 1.00 0.00 N ATOM 485 C4 DT B 8 0.183 -6.197 -2.609 1.00 0.00 C ATOM 486 O4 DT B 8 0.965 -6.651 -1.777 1.00 0.00 O ATOM 487 C5 DT B 8 -1.017 -5.421 -2.322 1.00 0.00 C ATOM 488 C7 DT B 8 -1.244 -4.982 -0.881 1.00 0.00 C ATOM 489 C6 DT B 8 -1.818 -4.993 -3.342 1.00 0.00 C ATOM 0 H5' DT B 8 -5.081 -2.075 -4.921 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.062 -2.516 -6.304 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.886 -2.642 -7.100 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.307 -5.088 -7.023 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.928 -6.015 -5.214 1.00 0.00 H new ATOM 0 H2'' DT B 8 -3.031 -6.523 -6.631 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.583 -4.474 -6.545 1.00 0.00 H new ATOM 0 H3 DT B 8 1.246 -6.981 -4.189 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.796 -4.042 -0.870 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.816 -5.746 -0.354 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.282 -4.843 -0.387 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.730 -4.461 -3.116 1.00 0.00 H new TER 502 DT B 8