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= -2.86! (180deg=-5.62!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.617 (180deg=-0.124) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -2.46! (180deg=-5.37!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.591 (180deg=-0.517) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.170 3.371 -9.900 1.00 0.00 P ATOM 2 OP1 DC A 1 5.526 3.051 -11.193 1.00 0.00 O ATOM 3 OP2 DC A 1 6.733 4.720 -9.675 1.00 0.00 O ATOM 4 O5' DC A 1 7.332 2.288 -9.620 1.00 0.00 O ATOM 5 C5' DC A 1 7.322 0.999 -10.207 1.00 0.00 C ATOM 6 C4' DC A 1 8.596 0.240 -9.814 1.00 0.00 C ATOM 7 O4' DC A 1 9.720 1.066 -10.069 1.00 0.00 O ATOM 8 C3' DC A 1 8.622 -0.151 -8.332 1.00 0.00 C ATOM 9 O3' DC A 1 8.869 -1.543 -8.185 1.00 0.00 O ATOM 10 C2' DC A 1 9.806 0.604 -7.753 1.00 0.00 C ATOM 11 C1' DC A 1 10.624 0.984 -8.986 1.00 0.00 C ATOM 12 N1 DC A 1 11.259 2.310 -8.784 1.00 0.00 N ATOM 13 C2 DC A 1 12.651 2.419 -8.790 1.00 0.00 C ATOM 14 O2 DC A 1 13.366 1.438 -8.981 1.00 0.00 O ATOM 15 N3 DC A 1 13.207 3.645 -8.576 1.00 0.00 N ATOM 16 C4 DC A 1 12.441 4.721 -8.363 1.00 0.00 C ATOM 17 N4 DC A 1 13.043 5.893 -8.147 1.00 0.00 N ATOM 18 C5 DC A 1 11.010 4.635 -8.351 1.00 0.00 C ATOM 19 C6 DC A 1 10.470 3.413 -8.568 1.00 0.00 C ATOM 0 H5' DC A 1 7.258 1.084 -11.292 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.442 0.446 -9.878 1.00 0.00 H new ATOM 0 H4' DC A 1 8.619 -0.676 -10.405 1.00 0.00 H new ATOM 0 H3' DC A 1 7.675 0.079 -7.844 1.00 0.00 H new ATOM 0 H2' DC A 1 9.487 1.485 -7.196 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.381 -0.017 -7.066 1.00 0.00 H new ATOM 0 H1' DC A 1 11.406 0.248 -9.171 1.00 0.00 H new ATOM 0 H41 DC A 1 12.485 6.730 -7.982 1.00 0.00 H new ATOM 0 H42 DC A 1 14.061 5.951 -8.147 1.00 0.00 H new ATOM 0 H5 DC A 1 10.392 5.504 -8.177 1.00 0.00 H new ATOM 0 H6 DC A 1 9.396 3.303 -8.571 1.00 0.00 H new ATOM 31 P DC A 2 7.710 -2.581 -7.748 1.00 0.00 P ATOM 32 OP1 DC A 2 8.068 -3.912 -8.285 1.00 0.00 O ATOM 33 OP2 DC A 2 6.401 -1.983 -8.090 1.00 0.00 O ATOM 34 O5' DC A 2 7.832 -2.654 -6.132 1.00 0.00 O ATOM 35 C5' DC A 2 8.361 -1.575 -5.382 1.00 0.00 C ATOM 36 C4' DC A 2 8.027 -1.586 -3.882 1.00 0.00 C ATOM 37 O4' DC A 2 6.987 -0.705 -3.514 1.00 0.00 O ATOM 38 C3' DC A 2 7.769 -2.926 -3.194 1.00 0.00 C ATOM 39 O3' DC A 2 8.418 -2.878 -1.932 1.00 0.00 O ATOM 40 C2' DC A 2 6.253 -2.917 -3.094 1.00 0.00 C ATOM 41 C1' DC A 2 5.902 -1.435 -2.982 1.00 0.00 C ATOM 42 N1 DC A 2 4.743 -1.134 -3.833 1.00 0.00 N ATOM 43 C2 DC A 2 3.602 -0.603 -3.266 1.00 0.00 C ATOM 44 O2 DC A 2 3.507 -0.503 -2.050 1.00 0.00 O ATOM 45 N3 DC A 2 2.597 -0.195 -4.084 1.00 0.00 N ATOM 46 C4 DC A 2 2.694 -0.354 -5.409 1.00 0.00 C ATOM 47 N4 DC A 2 1.727 0.157 -6.170 1.00 0.00 N ATOM 48 C5 DC A 2 3.864 -0.928 -6.015 1.00 0.00 C ATOM 49 C6 DC A 2 4.867 -1.276 -5.178 1.00 0.00 C ATOM 0 H5' DC A 2 7.994 -0.643 -5.811 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.445 -1.574 -5.495 1.00 0.00 H new ATOM 0 H4' DC A 2 8.992 -1.242 -3.510 1.00 0.00 H new ATOM 0 H3' DC A 2 8.134 -3.826 -3.689 1.00 0.00 H new ATOM 0 H2' DC A 2 5.792 -3.372 -3.971 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.906 -3.477 -2.225 1.00 0.00 H new ATOM 0 H1' DC A 2 5.691 -1.184 -1.943 1.00 0.00 H new ATOM 0 H41 DC A 2 1.768 0.055 -7.184 1.00 0.00 H new ATOM 0 H42 DC A 2 0.946 0.650 -5.738 1.00 0.00 H new ATOM 0 H5 DC A 2 3.938 -1.074 -7.083 1.00 0.00 H new ATOM 0 H6 DC A 2 5.784 -1.674 -5.587 1.00 0.00 H new ATOM 61 P DG A 3 8.391 -4.099 -0.877 1.00 0.00 P ATOM 62 OP1 DG A 3 9.514 -3.915 0.069 1.00 0.00 O ATOM 63 OP2 DG A 3 8.267 -5.366 -1.632 1.00 0.00 O ATOM 64 O5' DG A 3 7.014 -3.854 -0.080 1.00 0.00 O ATOM 65 C5' DG A 3 6.817 -2.728 0.760 1.00 0.00 C ATOM 66 C4' DG A 3 5.343 -2.673 1.181 1.00 0.00 C ATOM 67 O4' DG A 3 4.612 -2.537 -0.012 1.00 0.00 O ATOM 68 C3' DG A 3 4.869 -3.974 1.832 1.00 0.00 C ATOM 69 O3' DG A 3 4.691 -3.834 3.225 1.00 0.00 O ATOM 70 C2' DG A 3 3.478 -4.124 1.235 1.00 0.00 C ATOM 71 C1' DG A 3 3.311 -2.965 0.265 1.00 0.00 C ATOM 72 N9 DG A 3 2.698 -3.367 -1.013 1.00 0.00 N ATOM 73 C8 DG A 3 3.249 -4.196 -1.949 1.00 0.00 C ATOM 74 N7 DG A 3 2.684 -4.128 -3.122 1.00 0.00 N ATOM 75 C5 DG A 3 1.631 -3.237 -2.927 1.00 0.00 C ATOM 76 C6 DG A 3 0.641 -2.761 -3.840 1.00 0.00 C ATOM 77 O6 DG A 3 0.572 -2.967 -5.045 1.00 0.00 O ATOM 78 N1 DG A 3 -0.335 -1.985 -3.218 1.00 0.00 N ATOM 79 C2 DG A 3 -0.312 -1.648 -1.885 1.00 0.00 C ATOM 80 N2 DG A 3 -1.375 -0.976 -1.444 1.00 0.00 N ATOM 81 N3 DG A 3 0.656 -2.026 -1.041 1.00 0.00 N ATOM 82 C4 DG A 3 1.591 -2.824 -1.618 1.00 0.00 C ATOM 0 H5' DG A 3 7.093 -1.813 0.235 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.458 -2.797 1.639 1.00 0.00 H new ATOM 0 H4' DG A 3 5.208 -1.863 1.897 1.00 0.00 H new ATOM 0 H3' DG A 3 5.571 -4.792 1.670 1.00 0.00 H new ATOM 0 H2' DG A 3 3.375 -5.080 0.722 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.715 -4.095 2.012 1.00 0.00 H new ATOM 0 H1' DG A 3 2.663 -2.209 0.709 1.00 0.00 H new ATOM 0 H8 DG A 3 4.081 -4.851 -1.736 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.113 -1.647 -3.785 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.429 -0.692 -0.466 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.135 -0.746 -2.085 1.00 0.00 H new ATOM 94 P DT A 4 5.705 -4.531 4.262 1.00 0.00 P ATOM 95 OP1 DT A 4 6.951 -3.736 4.324 1.00 0.00 O ATOM 96 OP2 DT A 4 5.758 -5.978 3.959 1.00 0.00 O ATOM 97 O5' DT A 4 4.895 -4.341 5.633 1.00 0.00 O ATOM 98 C5' DT A 4 4.856 -3.094 6.292 1.00 0.00 C ATOM 99 C4' DT A 4 3.639 -3.031 7.214 1.00 0.00 C ATOM 100 O4' DT A 4 2.465 -2.995 6.417 1.00 0.00 O ATOM 101 C3' DT A 4 3.538 -4.258 8.125 1.00 0.00 C ATOM 102 O3' DT A 4 3.139 -3.845 9.420 1.00 0.00 O ATOM 103 C2' DT A 4 2.408 -5.049 7.483 1.00 0.00 C ATOM 104 C1' DT A 4 1.543 -3.913 6.964 1.00 0.00 C ATOM 105 N1 DT A 4 0.567 -4.414 5.972 1.00 0.00 N ATOM 106 C2 DT A 4 -0.722 -4.717 6.405 1.00 0.00 C ATOM 107 O2 DT A 4 -1.088 -4.592 7.571 1.00 0.00 O ATOM 108 N3 DT A 4 -1.597 -5.184 5.440 1.00 0.00 N ATOM 109 C4 DT A 4 -1.295 -5.389 4.103 1.00 0.00 C ATOM 110 O4 DT A 4 -2.172 -5.778 3.335 1.00 0.00 O ATOM 111 C5 DT A 4 0.086 -5.104 3.746 1.00 0.00 C ATOM 112 C7 DT A 4 0.528 -5.288 2.307 1.00 0.00 C ATOM 113 C6 DT A 4 0.958 -4.633 4.678 1.00 0.00 C ATOM 0 H5' DT A 4 4.811 -2.287 5.560 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.769 -2.949 6.870 1.00 0.00 H new ATOM 0 H4' DT A 4 3.744 -2.141 7.835 1.00 0.00 H new ATOM 0 H3' DT A 4 4.470 -4.815 8.225 1.00 0.00 H new ATOM 0 H2' DT A 4 2.759 -5.702 6.684 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.881 -5.678 8.200 1.00 0.00 H new ATOM 0 H1' DT A 4 0.936 -3.442 7.737 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.549 -5.396 5.739 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.062 -6.079 1.844 1.00 0.00 H new ATOM 0 H72 DT A 4 0.381 -4.357 1.759 1.00 0.00 H new ATOM 0 H73 DT A 4 1.583 -5.560 2.282 1.00 0.00 H new ATOM 0 H6 DT A 4 1.979 -4.428 4.392 1.00 0.00 H new ATOM 126 P DC A 5 3.945 -4.301 10.735 1.00 0.00 P ATOM 127 OP1 DC A 5 4.276 -5.737 10.601 1.00 0.00 O ATOM 128 OP2 DC A 5 3.200 -3.828 11.922 1.00 0.00 O ATOM 129 O5' DC A 5 5.315 -3.458 10.617 1.00 0.00 O ATOM 130 C5' DC A 5 5.447 -2.150 11.140 1.00 0.00 C ATOM 131 C4' DC A 5 6.900 -1.679 10.982 1.00 0.00 C ATOM 132 O4' DC A 5 7.762 -2.669 11.515 1.00 0.00 O ATOM 133 C3' DC A 5 7.293 -1.444 9.519 1.00 0.00 C ATOM 134 O3' DC A 5 7.879 -0.162 9.359 1.00 0.00 O ATOM 135 C2' DC A 5 8.357 -2.489 9.229 1.00 0.00 C ATOM 136 C1' DC A 5 8.831 -2.906 10.620 1.00 0.00 C ATOM 137 N1 DC A 5 9.162 -4.355 10.647 1.00 0.00 N ATOM 138 C2 DC A 5 10.443 -4.765 11.021 1.00 0.00 C ATOM 139 O2 DC A 5 11.315 -3.949 11.311 1.00 0.00 O ATOM 140 N3 DC A 5 10.713 -6.101 11.058 1.00 0.00 N ATOM 141 C4 DC A 5 9.776 -7.003 10.745 1.00 0.00 C ATOM 142 N4 DC A 5 10.097 -8.297 10.795 1.00 0.00 N ATOM 143 C5 DC A 5 8.453 -6.607 10.357 1.00 0.00 C ATOM 144 C6 DC A 5 8.197 -5.279 10.327 1.00 0.00 C ATOM 0 H5' DC A 5 5.162 -2.137 12.192 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.774 -1.469 10.619 1.00 0.00 H new ATOM 0 H4' DC A 5 6.991 -0.730 11.511 1.00 0.00 H new ATOM 0 H3' DC A 5 6.426 -1.507 8.861 1.00 0.00 H new ATOM 0 H2' DC A 5 7.950 -3.334 8.673 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.172 -2.078 8.633 1.00 0.00 H new ATOM 0 H1' DC A 5 9.722 -2.342 10.894 1.00 0.00 H new ATOM 0 H41 DC A 5 9.401 -9.005 10.561 1.00 0.00 H new ATOM 0 H42 DC A 5 11.039 -8.579 11.067 1.00 0.00 H new ATOM 0 H5 DC A 5 7.697 -7.335 10.101 1.00 0.00 H new ATOM 0 H6 DC A 5 7.212 -4.938 10.045 1.00 0.00 H new ATOM 156 P DC A 6 7.035 1.104 8.819 1.00 0.00 P ATOM 157 OP1 DC A 6 7.619 2.328 9.411 1.00 0.00 O ATOM 158 OP2 DC A 6 5.596 0.816 9.005 1.00 0.00 O ATOM 159 O5' DC A 6 7.349 1.123 7.229 1.00 0.00 O ATOM 160 C5' DC A 6 7.715 -0.058 6.537 1.00 0.00 C ATOM 161 C4' DC A 6 7.591 0.017 5.008 1.00 0.00 C ATOM 162 O4' DC A 6 6.446 -0.626 4.487 1.00 0.00 O ATOM 163 C3' DC A 6 7.707 1.383 4.329 1.00 0.00 C ATOM 164 O3' DC A 6 8.494 1.199 3.162 1.00 0.00 O ATOM 165 C2' DC A 6 6.249 1.692 4.037 1.00 0.00 C ATOM 166 C1' DC A 6 5.613 0.316 3.847 1.00 0.00 C ATOM 167 N1 DC A 6 4.319 0.267 4.538 1.00 0.00 N ATOM 168 C2 DC A 6 3.172 -0.008 3.819 1.00 0.00 C ATOM 169 O2 DC A 6 3.212 -0.084 2.600 1.00 0.00 O ATOM 170 N3 DC A 6 2.007 -0.194 4.496 1.00 0.00 N ATOM 171 C4 DC A 6 1.968 -0.062 5.827 1.00 0.00 C ATOM 172 N4 DC A 6 0.828 -0.359 6.448 1.00 0.00 N ATOM 173 C5 DC A 6 3.147 0.250 6.588 1.00 0.00 C ATOM 174 C6 DC A 6 4.298 0.379 5.892 1.00 0.00 C ATOM 0 H5' DC A 6 7.094 -0.878 6.896 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.746 -0.304 6.791 1.00 0.00 H new ATOM 0 H4' DC A 6 8.502 -0.525 4.753 1.00 0.00 H new ATOM 0 H3' DC A 6 8.181 2.189 4.890 1.00 0.00 H new ATOM 0 H2' DC A 6 5.784 2.237 4.858 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.142 2.308 3.144 1.00 0.00 H new ATOM 0 H1' DC A 6 5.486 0.114 2.784 1.00 0.00 H new ATOM 0 H41 DC A 6 0.761 -0.270 7.462 1.00 0.00 H new ATOM 0 H42 DC A 6 0.021 -0.675 5.910 1.00 0.00 H new ATOM 0 H5 DC A 6 3.115 0.375 7.660 1.00 0.00 H new ATOM 0 H6 DC A 6 5.219 0.575 6.422 1.00 0.00 H new ATOM 186 P DG A 7 8.861 2.397 2.146 1.00 0.00 P ATOM 187 OP1 DG A 7 10.041 1.984 1.353 1.00 0.00 O ATOM 188 OP2 DG A 7 8.895 3.664 2.910 1.00 0.00 O ATOM 189 O5' DG A 7 7.583 2.431 1.169 1.00 0.00 O ATOM 190 C5' DG A 7 7.272 1.360 0.295 1.00 0.00 C ATOM 191 C4' DG A 7 5.893 1.611 -0.326 1.00 0.00 C ATOM 192 O4' DG A 7 4.991 1.647 0.750 1.00 0.00 O ATOM 193 C3' DG A 7 5.800 2.979 -1.008 1.00 0.00 C ATOM 194 O3' DG A 7 5.784 2.866 -2.414 1.00 0.00 O ATOM 195 C2' DG A 7 4.409 3.437 -0.601 1.00 0.00 C ATOM 196 C1' DG A 7 3.865 2.348 0.309 1.00 0.00 C ATOM 197 N9 DG A 7 3.180 2.882 1.499 1.00 0.00 N ATOM 198 C8 DG A 7 3.756 3.580 2.521 1.00 0.00 C ATOM 199 N7 DG A 7 3.031 3.638 3.604 1.00 0.00 N ATOM 200 C5 DG A 7 1.855 2.980 3.246 1.00 0.00 C ATOM 201 C6 DG A 7 0.676 2.708 4.004 1.00 0.00 C ATOM 202 O6 DG A 7 0.482 2.921 5.195 1.00 0.00 O ATOM 203 N1 DG A 7 -0.335 2.135 3.236 1.00 0.00 N ATOM 204 C2 DG A 7 -0.198 1.798 1.911 1.00 0.00 C ATOM 205 N2 DG A 7 -1.292 1.330 1.317 1.00 0.00 N ATOM 206 N3 DG A 7 0.930 1.984 1.214 1.00 0.00 N ATOM 207 C4 DG A 7 1.913 2.582 1.933 1.00 0.00 C ATOM 0 H5' DG A 7 7.274 0.416 0.840 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.028 1.279 -0.486 1.00 0.00 H new ATOM 0 H4' DG A 7 5.692 0.839 -1.068 1.00 0.00 H new ATOM 0 H3' DG A 7 6.634 3.626 -0.735 1.00 0.00 H new ATOM 0 H2' DG A 7 4.449 4.396 -0.084 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.771 3.572 -1.474 1.00 0.00 H new ATOM 0 H1' DG A 7 3.138 1.747 -0.237 1.00 0.00 H new ATOM 0 H8 DG A 7 4.728 4.044 2.440 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.233 1.954 3.685 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.263 1.060 0.334 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.160 1.241 1.845 1.00 0.00 H new ATOM 219 P DT A 8 7.073 3.258 -3.291 1.00 0.00 P ATOM 220 OP1 DT A 8 8.083 2.183 -3.174 1.00 0.00 O ATOM 221 OP2 DT A 8 7.438 4.659 -2.986 1.00 0.00 O ATOM 222 O5' DT A 8 6.434 3.219 -4.760 1.00 0.00 O ATOM 223 C5' DT A 8 6.174 1.994 -5.411 1.00 0.00 C ATOM 224 C4' DT A 8 5.103 2.190 -6.482 1.00 0.00 C ATOM 225 O4' DT A 8 3.857 2.424 -5.844 1.00 0.00 O ATOM 226 C3' DT A 8 5.395 3.400 -7.375 1.00 0.00 C ATOM 227 O3' DT A 8 5.116 3.063 -8.723 1.00 0.00 O ATOM 228 C2' DT A 8 4.378 4.421 -6.888 1.00 0.00 C ATOM 229 C1' DT A 8 3.229 3.502 -6.504 1.00 0.00 C ATOM 230 N1 DT A 8 2.247 4.208 -5.652 1.00 0.00 N ATOM 231 C2 DT A 8 1.112 4.745 -6.255 1.00 0.00 C ATOM 232 O2 DT A 8 0.896 4.681 -7.464 1.00 0.00 O ATOM 233 N3 DT A 8 0.210 5.373 -5.413 1.00 0.00 N ATOM 234 C4 DT A 8 0.350 5.523 -4.043 1.00 0.00 C ATOM 235 O4 DT A 8 -0.541 6.070 -3.398 1.00 0.00 O ATOM 236 C5 DT A 8 1.591 4.990 -3.500 1.00 0.00 C ATOM 237 C7 DT A 8 1.849 5.103 -2.008 1.00 0.00 C ATOM 238 C6 DT A 8 2.485 4.361 -4.310 1.00 0.00 C ATOM 0 H5' DT A 8 5.843 1.250 -4.686 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.089 1.612 -5.865 1.00 0.00 H new ATOM 0 H4' DT A 8 5.088 1.292 -7.099 1.00 0.00 H new ATOM 0 H3' DT A 8 6.427 3.748 -7.328 1.00 0.00 H new ATOM 0 H2' DT A 8 4.745 5.002 -6.042 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.099 5.132 -7.666 1.00 0.00 H new ATOM 0 H1' DT A 8 2.648 3.158 -7.360 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.632 5.759 -5.839 1.00 0.00 H new ATOM 0 H71 DT A 8 1.355 5.994 -1.620 1.00 0.00 H new ATOM 0 H72 DT A 8 1.456 4.221 -1.503 1.00 0.00 H new ATOM 0 H73 DT A 8 2.922 5.176 -1.829 1.00 0.00 H new ATOM 0 H6 DT A 8 3.401 3.974 -3.888 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.716 -4.893 -9.393 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.826 -5.866 -9.316 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.848 -4.874 -10.592 1.00 0.00 O ATOM 255 O5' DC B 1 -5.306 -3.403 -9.185 1.00 0.00 O ATOM 256 C5' DC B 1 -5.931 -2.695 -10.245 1.00 0.00 C ATOM 257 C4' DC B 1 -7.455 -2.611 -10.086 1.00 0.00 C ATOM 258 O4' DC B 1 -8.010 -3.913 -10.036 1.00 0.00 O ATOM 259 C3' DC B 1 -7.882 -1.895 -8.799 1.00 0.00 C ATOM 260 O3' DC B 1 -8.634 -0.729 -9.076 1.00 0.00 O ATOM 261 C2' DC B 1 -8.817 -2.875 -8.109 1.00 0.00 C ATOM 262 C1' DC B 1 -9.158 -3.868 -9.218 1.00 0.00 C ATOM 263 N1 DC B 1 -9.436 -5.214 -8.660 1.00 0.00 N ATOM 264 C2 DC B 1 -10.633 -5.863 -8.966 1.00 0.00 C ATOM 265 O2 DC B 1 -11.473 -5.341 -9.696 1.00 0.00 O ATOM 266 N3 DC B 1 -10.855 -7.100 -8.435 1.00 0.00 N ATOM 267 C4 DC B 1 -9.948 -7.681 -7.640 1.00 0.00 C ATOM 268 N4 DC B 1 -10.220 -8.890 -7.145 1.00 0.00 N ATOM 269 C5 DC B 1 -8.708 -7.037 -7.318 1.00 0.00 C ATOM 270 C6 DC B 1 -8.503 -5.812 -7.854 1.00 0.00 C ATOM 0 H5' DC B 1 -5.695 -3.183 -11.191 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.519 -1.687 -10.295 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.815 -2.046 -10.946 1.00 0.00 H new ATOM 0 H3' DC B 1 -7.009 -1.606 -8.214 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.335 -3.365 -7.263 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.708 -2.379 -7.724 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.050 -3.565 -9.766 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.546 -9.355 -6.537 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.102 -9.349 -7.375 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.974 -7.506 -6.679 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.581 -5.292 -7.641 1.00 0.00 H new ATOM 282 P DC B 2 -7.968 0.740 -9.050 1.00 0.00 P ATOM 283 OP1 DC B 2 -9.027 1.726 -9.362 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.732 0.707 -9.860 1.00 0.00 O ATOM 285 O5' DC B 2 -7.553 0.921 -7.499 1.00 0.00 O ATOM 286 C5' DC B 2 -8.441 0.572 -6.458 1.00 0.00 C ATOM 287 C4' DC B 2 -7.881 0.795 -5.048 1.00 0.00 C ATOM 288 O4' DC B 2 -6.789 -0.005 -4.656 1.00 0.00 O ATOM 289 C3' DC B 2 -7.647 2.241 -4.611 1.00 0.00 C ATOM 290 O3' DC B 2 -8.406 2.435 -3.429 1.00 0.00 O ATOM 291 C2' DC B 2 -6.146 2.261 -4.388 1.00 0.00 C ATOM 292 C1' DC B 2 -5.810 0.817 -4.044 1.00 0.00 C ATOM 293 N1 DC B 2 -4.544 0.474 -4.686 1.00 0.00 N ATOM 294 C2 DC B 2 -3.444 0.167 -3.909 1.00 0.00 C ATOM 295 O2 DC B 2 -3.458 0.372 -2.703 1.00 0.00 O ATOM 296 N3 DC B 2 -2.361 -0.376 -4.520 1.00 0.00 N ATOM 297 C4 DC B 2 -2.341 -0.543 -5.845 1.00 0.00 C ATOM 298 N4 DC B 2 -1.316 -1.217 -6.358 1.00 0.00 N ATOM 299 C5 DC B 2 -3.449 -0.148 -6.677 1.00 0.00 C ATOM 300 C6 DC B 2 -4.534 0.341 -6.038 1.00 0.00 C ATOM 0 H5' DC B 2 -8.714 -0.478 -6.566 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.357 1.152 -6.568 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.751 0.435 -4.499 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.945 3.031 -5.300 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.614 2.594 -5.279 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.871 2.939 -3.580 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.766 0.685 -2.963 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.258 -1.369 -7.365 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.587 -1.582 -5.745 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.414 -0.238 -7.753 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.404 0.630 -6.609 1.00 0.00 H new ATOM 312 P DG B 3 -8.411 3.814 -2.598 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.613 3.829 -1.735 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.165 4.929 -3.538 1.00 0.00 O ATOM 315 O5' DG B 3 -7.117 3.645 -1.661 1.00 0.00 O ATOM 316 C5' DG B 3 -7.006 2.605 -0.705 1.00 0.00 C ATOM 317 C4' DG B 3 -5.635 2.703 -0.030 1.00 0.00 C ATOM 318 O4' DG B 3 -4.669 2.481 -1.018 1.00 0.00 O ATOM 319 C3' DG B 3 -5.395 4.108 0.518 1.00 0.00 C ATOM 320 O3' DG B 3 -5.466 4.079 1.924 1.00 0.00 O ATOM 321 C2' DG B 3 -3.970 4.399 0.100 1.00 0.00 C ATOM 322 C1' DG B 3 -3.500 3.136 -0.612 1.00 0.00 C ATOM 323 N9 DG B 3 -2.766 3.386 -1.863 1.00 0.00 N ATOM 324 C8 DG B 3 -3.296 3.900 -3.013 1.00 0.00 C ATOM 325 N7 DG B 3 -2.614 3.629 -4.090 1.00 0.00 N ATOM 326 C5 DG B 3 -1.522 2.907 -3.612 1.00 0.00 C ATOM 327 C6 DG B 3 -0.452 2.265 -4.311 1.00 0.00 C ATOM 328 O6 DG B 3 -0.293 2.162 -5.523 1.00 0.00 O ATOM 329 N1 DG B 3 0.482 1.697 -3.449 1.00 0.00 N ATOM 330 C2 DG B 3 0.344 1.669 -2.087 1.00 0.00 C ATOM 331 N2 DG B 3 1.338 1.076 -1.442 1.00 0.00 N ATOM 332 N3 DG B 3 -0.693 2.192 -1.423 1.00 0.00 N ATOM 333 C4 DG B 3 -1.583 2.805 -2.242 1.00 0.00 C ATOM 0 H5' DG B 3 -7.121 1.634 -1.187 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.800 2.688 0.038 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.585 1.981 0.785 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.116 4.843 0.161 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.922 5.265 -0.560 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.343 4.621 0.964 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.845 2.597 0.072 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.205 4.483 -3.028 1.00 0.00 H new ATOM 0 H1 DG B 3 1.318 1.277 -3.856 1.00 0.00 H new ATOM 0 H21 DG B 3 1.318 1.010 -0.424 1.00 0.00 H new ATOM 0 H22 DG B 3 2.123 0.686 -1.963 1.00 0.00 H new ATOM 345 P DT B 4 -6.259 5.220 2.734 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.613 4.727 3.066 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.083 6.517 2.042 1.00 0.00 O ATOM 348 O5' DT B 4 -5.377 5.255 4.063 1.00 0.00 O ATOM 349 C5' DT B 4 -5.372 4.173 4.965 1.00 0.00 C ATOM 350 C4' DT B 4 -4.185 4.342 5.909 1.00 0.00 C ATOM 351 O4' DT B 4 -2.981 4.164 5.175 1.00 0.00 O ATOM 352 C3' DT B 4 -4.153 5.756 6.500 1.00 0.00 C ATOM 353 O3' DT B 4 -3.849 5.677 7.880 1.00 0.00 O ATOM 354 C2' DT B 4 -3.003 6.403 5.749 1.00 0.00 C ATOM 355 C1' DT B 4 -2.102 5.202 5.551 1.00 0.00 C ATOM 356 N1 DT B 4 -1.072 5.522 4.541 1.00 0.00 N ATOM 357 C2 DT B 4 0.148 6.010 5.002 1.00 0.00 C ATOM 358 O2 DT B 4 0.379 6.238 6.186 1.00 0.00 O ATOM 359 N3 DT B 4 1.116 6.239 4.044 1.00 0.00 N ATOM 360 C4 DT B 4 0.974 6.019 2.686 1.00 0.00 C ATOM 361 O4 DT B 4 1.926 6.239 1.940 1.00 0.00 O ATOM 362 C5 DT B 4 -0.339 5.538 2.276 1.00 0.00 C ATOM 363 C7 DT B 4 -0.521 5.141 0.820 1.00 0.00 C ATOM 364 C6 DT B 4 -1.321 5.331 3.205 1.00 0.00 C ATOM 0 H5' DT B 4 -5.297 3.229 4.425 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.304 4.144 5.529 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.281 3.609 6.710 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.092 6.301 6.406 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.320 6.845 4.804 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.522 7.193 6.326 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.539 4.906 6.436 1.00 0.00 H new ATOM 0 H3 DT B 4 2.013 6.602 4.366 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.273 4.355 0.748 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.846 6.008 0.244 1.00 0.00 H new ATOM 0 H73 DT B 4 0.425 4.775 0.422 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.302 5.014 2.884 1.00 0.00 H new ATOM 377 P DC B 5 -4.844 6.278 8.993 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.162 7.672 8.613 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.265 5.996 10.325 1.00 0.00 O ATOM 380 O5' DC B 5 -6.188 5.399 8.813 1.00 0.00 O ATOM 381 C5' DC B 5 -6.480 4.267 9.610 1.00 0.00 C ATOM 382 C4' DC B 5 -7.960 3.891 9.439 1.00 0.00 C ATOM 383 O4' DC B 5 -8.747 5.047 9.671 1.00 0.00 O ATOM 384 C3' DC B 5 -8.296 3.364 8.039 1.00 0.00 C ATOM 385 O3' DC B 5 -9.049 2.163 8.111 1.00 0.00 O ATOM 386 C2' DC B 5 -9.188 4.429 7.424 1.00 0.00 C ATOM 387 C1' DC B 5 -9.702 5.199 8.639 1.00 0.00 C ATOM 388 N1 DC B 5 -9.848 6.645 8.326 1.00 0.00 N ATOM 389 C2 DC B 5 -11.076 7.276 8.532 1.00 0.00 C ATOM 390 O2 DC B 5 -12.050 6.656 8.951 1.00 0.00 O ATOM 391 N3 DC B 5 -11.178 8.608 8.259 1.00 0.00 N ATOM 392 C4 DC B 5 -10.125 9.302 7.807 1.00 0.00 C ATOM 393 N4 DC B 5 -10.284 10.602 7.552 1.00 0.00 N ATOM 394 C5 DC B 5 -8.852 8.678 7.592 1.00 0.00 C ATOM 395 C6 DC B 5 -8.766 7.357 7.869 1.00 0.00 C ATOM 0 H5' DC B 5 -6.266 4.481 10.657 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.845 3.430 9.319 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.171 3.092 10.150 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.386 3.163 7.473 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.633 5.075 6.743 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.004 3.989 6.851 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.678 4.813 8.934 1.00 0.00 H new ATOM 0 H41 DC B 5 -9.499 11.154 7.207 1.00 0.00 H new ATOM 0 H42 DC B 5 -11.191 11.044 7.702 1.00 0.00 H new ATOM 0 H5 DC B 5 -8.003 9.236 7.226 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.823 6.849 7.727 1.00 0.00 H new ATOM 407 P DC B 6 -8.358 0.705 8.036 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.237 -0.246 8.751 1.00 0.00 O ATOM 409 OP2 DC B 6 -6.943 0.845 8.446 1.00 0.00 O ATOM 410 O5' DC B 6 -8.389 0.313 6.461 1.00 0.00 O ATOM 411 C5' DC B 6 -8.810 1.231 5.469 1.00 0.00 C ATOM 412 C4' DC B 6 -8.398 0.871 4.034 1.00 0.00 C ATOM 413 O4' DC B 6 -7.163 1.420 3.622 1.00 0.00 O ATOM 414 C3' DC B 6 -8.442 -0.595 3.596 1.00 0.00 C ATOM 415 O3' DC B 6 -9.073 -0.635 2.326 1.00 0.00 O ATOM 416 C2' DC B 6 -6.964 -0.942 3.547 1.00 0.00 C ATOM 417 C1' DC B 6 -6.291 0.384 3.218 1.00 0.00 C ATOM 418 N1 DC B 6 -5.083 0.521 4.035 1.00 0.00 N ATOM 419 C2 DC B 6 -3.848 0.598 3.421 1.00 0.00 C ATOM 420 O2 DC B 6 -3.743 0.397 2.219 1.00 0.00 O ATOM 421 N3 DC B 6 -2.768 0.907 4.185 1.00 0.00 N ATOM 422 C4 DC B 6 -2.893 1.060 5.507 1.00 0.00 C ATOM 423 N4 DC B 6 -1.830 1.493 6.182 1.00 0.00 N ATOM 424 C5 DC B 6 -4.159 0.915 6.170 1.00 0.00 C ATOM 425 C6 DC B 6 -5.224 0.668 5.377 1.00 0.00 C ATOM 0 H5' DC B 6 -8.407 2.214 5.711 1.00 0.00 H new ATOM 0 H5'' DC B 6 -9.896 1.313 5.509 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.229 1.353 3.520 1.00 0.00 H new ATOM 0 H3' DC B 6 -8.993 -1.289 4.231 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.615 -1.342 4.499 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.755 -1.696 2.788 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.056 0.428 2.155 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.885 1.623 7.192 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.960 1.695 5.689 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.254 0.999 7.243 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.206 0.586 5.819 1.00 0.00 H new ATOM 437 P DG B 7 -9.272 -1.993 1.479 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.330 -1.756 0.472 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.399 -3.121 2.428 1.00 0.00 O ATOM 440 O5' DG B 7 -7.867 -2.139 0.706 1.00 0.00 O ATOM 441 C5' DG B 7 -7.426 -1.183 -0.243 1.00 0.00 C ATOM 442 C4' DG B 7 -6.016 -1.548 -0.718 1.00 0.00 C ATOM 443 O4' DG B 7 -5.183 -1.483 0.407 1.00 0.00 O ATOM 444 C3' DG B 7 -5.946 -2.982 -1.245 1.00 0.00 C ATOM 445 O3' DG B 7 -5.832 -2.977 -2.657 1.00 0.00 O ATOM 446 C2' DG B 7 -4.678 -3.510 -0.605 1.00 0.00 C ATOM 447 C1' DG B 7 -4.100 -2.341 0.178 1.00 0.00 C ATOM 448 N9 DG B 7 -3.605 -2.707 1.516 1.00 0.00 N ATOM 449 C8 DG B 7 -4.364 -3.130 2.572 1.00 0.00 C ATOM 450 N7 DG B 7 -3.790 -2.982 3.735 1.00 0.00 N ATOM 451 C5 DG B 7 -2.536 -2.464 3.422 1.00 0.00 C ATOM 452 C6 DG B 7 -1.468 -2.023 4.267 1.00 0.00 C ATOM 453 O6 DG B 7 -1.455 -1.935 5.490 1.00 0.00 O ATOM 454 N1 DG B 7 -0.338 -1.649 3.547 1.00 0.00 N ATOM 455 C2 DG B 7 -0.287 -1.603 2.178 1.00 0.00 C ATOM 456 N2 DG B 7 0.879 -1.223 1.679 1.00 0.00 N ATOM 457 N3 DG B 7 -1.308 -1.921 1.374 1.00 0.00 N ATOM 458 C4 DG B 7 -2.396 -2.355 2.058 1.00 0.00 C ATOM 0 H5' DG B 7 -7.425 -0.188 0.201 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.111 -1.154 -1.091 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.724 -0.868 -1.518 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.827 -3.581 -1.013 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.892 -4.354 0.051 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.975 -3.863 -1.360 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.266 -1.928 -0.390 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.352 -3.550 2.454 1.00 0.00 H new ATOM 0 H1 DG B 7 0.501 -1.394 4.068 1.00 0.00 H new ATOM 0 H21 DG B 7 1.006 -1.161 0.669 1.00 0.00 H new ATOM 0 H22 DG B 7 1.651 -0.992 2.305 1.00 0.00 H new ATOM 470 P DT B 8 -6.168 -4.303 -3.516 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.530 -4.745 -3.145 1.00 0.00 O ATOM 472 OP2 DT B 8 -5.043 -5.242 -3.358 1.00 0.00 O ATOM 473 O5' DT B 8 -6.239 -3.800 -5.052 1.00 0.00 O ATOM 474 C5' DT B 8 -5.282 -2.939 -5.645 1.00 0.00 C ATOM 475 C4' DT B 8 -4.027 -3.605 -6.229 1.00 0.00 C ATOM 476 O4' DT B 8 -2.993 -3.658 -5.270 1.00 0.00 O ATOM 477 C3' DT B 8 -4.210 -5.030 -6.780 1.00 0.00 C ATOM 478 O3' DT B 8 -3.755 -5.124 -8.119 1.00 0.00 O ATOM 479 C2' DT B 8 -3.233 -5.836 -5.937 1.00 0.00 C ATOM 480 C1' DT B 8 -2.205 -4.784 -5.590 1.00 0.00 C ATOM 481 N1 DT B 8 -1.382 -5.275 -4.467 1.00 0.00 N ATOM 482 C2 DT B 8 -0.237 -6.006 -4.763 1.00 0.00 C ATOM 483 O2 DT B 8 0.097 -6.299 -5.909 1.00 0.00 O ATOM 484 N3 DT B 8 0.528 -6.405 -3.682 1.00 0.00 N ATOM 485 C4 DT B 8 0.261 -6.114 -2.354 1.00 0.00 C ATOM 486 O4 DT B 8 1.037 -6.498 -1.483 1.00 0.00 O ATOM 487 C5 DT B 8 -0.962 -5.356 -2.131 1.00 0.00 C ATOM 488 C7 DT B 8 -1.245 -4.831 -0.737 1.00 0.00 C ATOM 489 C6 DT B 8 -1.747 -4.990 -3.180 1.00 0.00 C ATOM 0 H5' DT B 8 -4.965 -2.214 -4.895 1.00 0.00 H new ATOM 0 H5'' DT B 8 -5.773 -2.380 -6.442 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.782 -2.965 -7.076 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.252 -5.348 -6.749 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.706 -6.257 -5.050 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.799 -6.667 -6.492 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.494 -4.543 -6.381 1.00 0.00 H new ATOM 0 H3 DT B 8 1.360 -6.961 -3.879 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.825 -3.910 -0.806 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.811 -5.575 -0.176 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.304 -4.630 -0.226 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.673 -4.466 -2.994 1.00 0.00 H new TER 502 DT B 8